NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
515528 | 1e8l | 1093 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -6.582 -9.854 2.859 2 H2 LYS 1 H2 LYS 1 -7.896 -10.770 2.314 3 H3 LYS 1 H3 LYS 1 -6.615 -11.525 3.119 4 HA LYS 1 HA LYS 1 -5.717 -11.961 1.166 5 1HB LYS 1 1HB LYS 1 -8.101 -10.429 0.402 6 2HB LYS 1 2HB LYS 1 -6.814 -10.373 -0.794 7 1HG LYS 1 1HG LYS 1 -6.922 -12.630 -1.221 8 2HG LYS 1 2HG LYS 1 -7.634 -13.000 0.351 9 1HD LYS 1 1HD LYS 1 -9.467 -13.251 -1.006 10 2HD LYS 1 2HD LYS 1 -9.623 -11.548 -0.570 11 1HE LYS 1 1HE LYS 1 -8.003 -12.186 -2.966 12 2HE LYS 1 2HE LYS 1 -9.746 -12.418 -3.093 13 1HZ LYS 1 1HZ LYS 1 -9.258 -9.952 -1.853 14 2HZ LYS 1 2HZ LYS 1 -8.310 -10.029 -3.251 15 3HZ LYS 1 3HZ LYS 1 -9.984 -10.248 -3.352 16 H VAL 2 H VAL 2 -4.043 -10.626 2.466 17 HA VAL 2 HA VAL 2 -3.299 -8.167 1.047 18 HB VAL 2 HB VAL 2 -2.393 -9.314 3.691 19 1HG1 VAL 2 1HG1 VAL 2 -0.751 -7.895 2.045 20 2HG1 VAL 2 2HG1 VAL 2 -1.499 -6.611 2.994 21 3HG1 VAL 2 3HG1 VAL 2 -0.636 -7.918 3.805 22 1HG2 VAL 2 1HG2 VAL 2 -4.550 -7.695 3.025 23 2HG2 VAL 2 2HG2 VAL 2 -3.886 -7.965 4.636 24 3HG2 VAL 2 3HG2 VAL 2 -3.343 -6.587 3.679 25 H PHE 3 H PHE 3 -1.308 -7.941 0.008 26 HA PHE 3 HA PHE 3 -0.044 -10.330 -0.917 27 1HB PHE 3 1HB PHE 3 0.570 -7.389 -1.227 28 2HB PHE 3 2HB PHE 3 1.622 -8.634 -1.881 29 HD1 PHE 3 HD1 PHE 3 0.227 -10.482 -3.286 30 HD2 PHE 3 HD2 PHE 3 -0.867 -6.419 -2.676 31 HE1 PHE 3 HE1 PHE 3 -1.118 -10.537 -5.342 32 HE2 PHE 3 HE2 PHE 3 -2.215 -6.464 -4.724 33 HZ PHE 3 HZ PHE 3 -2.344 -8.527 -6.067 34 H GLY 4 H GLY 4 2.353 -10.586 -0.751 35 1HA GLY 4 1HA GLY 4 3.985 -11.253 0.792 36 2HA GLY 4 2HA GLY 4 3.158 -10.318 2.033 37 H ARG 5 H ARG 5 5.987 -10.300 1.501 38 HA ARG 5 HA ARG 5 6.291 -7.436 1.057 39 1HB ARG 5 1HB ARG 5 8.188 -9.541 2.105 40 2HB ARG 5 2HB ARG 5 8.649 -7.863 1.848 41 1HG ARG 5 1HG ARG 5 7.936 -7.397 3.887 42 2HG ARG 5 2HG ARG 5 6.296 -7.805 3.379 43 1HD ARG 5 1HD ARG 5 6.570 -9.240 5.151 44 2HD ARG 5 2HD ARG 5 7.101 -10.259 3.814 45 HE ARG 5 HE ARG 5 9.424 -9.473 4.483 46 1HH1 ARG 5 1HH1 ARG 5 6.788 -9.804 6.737 47 2HH1 ARG 5 2HH1 ARG 5 7.818 -10.105 8.097 48 1HH2 ARG 5 1HH2 ARG 5 10.788 -9.868 6.267 49 2HH2 ARG 5 2HH2 ARG 5 10.092 -10.141 7.829 50 H CYS 6 H CYS 6 8.008 -10.376 -0.026 51 HA CYS 6 HA CYS 6 9.080 -8.892 -2.260 52 1HB CYS 6 1HB CYS 6 9.334 -11.856 -1.802 53 2HB CYS 6 2HB CYS 6 10.353 -10.804 -2.780 54 H GLU 7 H GLU 7 6.633 -11.373 -1.701 55 HA GLU 7 HA GLU 7 6.092 -12.216 -4.260 56 1HB GLU 7 1HB GLU 7 4.602 -12.015 -1.778 57 2HB GLU 7 2HB GLU 7 3.557 -11.724 -3.161 58 1HG GLU 7 1HG GLU 7 3.565 -13.866 -3.756 59 2HG GLU 7 2HG GLU 7 5.308 -14.013 -3.536 60 H LEU 8 H LEU 8 4.832 -9.339 -2.642 61 HA LEU 8 HA LEU 8 3.499 -8.262 -4.879 62 1HB LEU 8 1HB LEU 8 3.008 -7.597 -2.570 63 2HB LEU 8 2HB LEU 8 4.604 -6.893 -2.423 64 HG LEU 8 HG LEU 8 2.509 -5.384 -2.865 65 1HD1 LEU 8 1HD1 LEU 8 5.207 -5.118 -4.151 66 2HD1 LEU 8 2HD1 LEU 8 4.000 -3.834 -4.208 67 3HD1 LEU 8 3HD1 LEU 8 4.623 -4.390 -2.656 68 1HD2 LEU 8 1HD2 LEU 8 2.046 -6.822 -4.989 69 2HD2 LEU 8 2HD2 LEU 8 1.813 -5.075 -5.038 70 3HD2 LEU 8 3HD2 LEU 8 3.272 -5.789 -5.722 71 H ALA 9 H ALA 9 6.786 -7.820 -3.572 72 HA ALA 9 HA ALA 9 7.548 -5.721 -5.285 73 1HB ALA 9 1HB ALA 9 9.158 -7.792 -3.835 74 2HB ALA 9 2HB ALA 9 8.912 -6.094 -3.421 75 3HB ALA 9 3HB ALA 9 9.897 -6.528 -4.818 76 H ALA 10 H ALA 10 8.134 -9.232 -5.629 77 HA ALA 10 HA ALA 10 9.470 -9.216 -8.031 78 1HB ALA 10 1HB ALA 10 8.366 -11.485 -8.391 79 2HB ALA 10 2HB ALA 10 9.294 -11.281 -6.906 80 3HB ALA 10 3HB ALA 10 7.533 -11.200 -6.863 81 H ALA 11 H ALA 11 6.027 -8.942 -7.356 82 HA ALA 11 HA ALA 11 5.161 -9.090 -10.030 83 1HB ALA 11 1HB ALA 11 3.680 -7.509 -7.985 84 2HB ALA 11 2HB ALA 11 3.787 -9.264 -7.840 85 3HB ALA 11 3HB ALA 11 3.045 -8.540 -9.267 86 H MET 12 H MET 12 6.238 -6.550 -8.010 87 HA MET 12 HA MET 12 5.552 -4.339 -9.622 88 1HB MET 12 1HB MET 12 8.060 -4.391 -7.982 89 2HB MET 12 2HB MET 12 6.996 -3.046 -8.295 90 1HG MET 12 1HG MET 12 6.163 -5.412 -6.667 91 2HG MET 12 2HG MET 12 6.921 -3.980 -5.974 92 1HE MET 12 1HE MET 12 6.090 -1.602 -6.801 93 2HE MET 12 2HE MET 12 5.270 -1.885 -8.335 94 3HE MET 12 3HE MET 12 4.385 -1.189 -6.978 95 H LYS 13 H LYS 13 8.581 -6.180 -9.384 96 HA LYS 13 HA LYS 13 10.093 -4.841 -11.262 97 1HB LYS 13 1HB LYS 13 10.761 -6.800 -9.748 98 2HB LYS 13 2HB LYS 13 10.118 -7.844 -11.009 99 1HG LYS 13 1HG LYS 13 11.696 -6.710 -12.605 100 2HG LYS 13 2HG LYS 13 12.435 -5.941 -11.199 101 1HD LYS 13 1HD LYS 13 12.455 -8.483 -10.360 102 2HD LYS 13 2HD LYS 13 12.537 -8.758 -12.102 103 1HE LYS 13 1HE LYS 13 14.343 -6.672 -11.510 104 2HE LYS 13 2HE LYS 13 14.603 -7.931 -10.305 105 1HZ LYS 13 1HZ LYS 13 14.606 -9.494 -12.325 106 2HZ LYS 13 2HZ LYS 13 14.880 -8.095 -13.235 107 3HZ LYS 13 3HZ LYS 13 15.981 -8.553 -12.034 108 H ARG 14 H ARG 14 7.882 -7.567 -11.772 109 HA ARG 14 HA ARG 14 8.202 -7.722 -14.559 110 1HB ARG 14 1HB ARG 14 5.922 -8.536 -12.754 111 2HB ARG 14 2HB ARG 14 5.951 -8.879 -14.478 112 1HG ARG 14 1HG ARG 14 7.429 -10.553 -14.254 113 2HG ARG 14 2HG ARG 14 8.347 -9.715 -13.001 114 1HD ARG 14 1HD ARG 14 7.316 -11.709 -12.089 115 2HD ARG 14 2HD ARG 14 6.596 -10.269 -11.370 116 HE ARG 14 HE ARG 14 4.963 -10.869 -13.471 117 1HH1 ARG 14 1HH1 ARG 14 6.120 -12.612 -10.685 118 2HH1 ARG 14 2HH1 ARG 14 4.706 -13.604 -10.558 119 1HH2 ARG 14 1HH2 ARG 14 3.097 -12.170 -13.310 120 2HH2 ARG 14 2HH2 ARG 14 2.988 -13.352 -12.050 121 H HIS 15 H HIS 15 6.058 -5.811 -12.499 122 HA HIS 15 HA HIS 15 4.500 -4.806 -14.654 123 1HB HIS 15 1HB HIS 15 4.714 -4.307 -11.730 124 2HB HIS 15 2HB HIS 15 3.957 -3.060 -12.715 125 HD1 HIS 15 HD1 HIS 15 2.589 -5.052 -10.557 126 HD2 HIS 15 HD2 HIS 15 2.327 -5.237 -14.700 127 HE1 HIS 15 HE1 HIS 15 0.467 -6.310 -11.041 128 HE2 HIS 15 HE2 HIS 15 0.284 -6.333 -13.553 129 H GLY 16 H GLY 16 7.687 -4.139 -13.866 130 1HA GLY 16 1HA GLY 16 7.695 -1.896 -15.588 131 2HA GLY 16 2HA GLY 16 9.070 -2.586 -14.755 132 H LEU 17 H LEU 17 7.655 -2.091 -12.034 133 HA LEU 17 HA LEU 17 7.656 0.815 -12.076 134 1HB LEU 17 1HB LEU 17 7.389 -0.826 -9.588 135 2HB LEU 17 2HB LEU 17 6.767 0.778 -9.913 136 HG LEU 17 HG LEU 17 5.603 -1.863 -10.507 137 1HD1 LEU 17 1HD1 LEU 17 4.923 0.131 -8.878 138 2HD1 LEU 17 2HD1 LEU 17 4.036 0.645 -10.314 139 3HD1 LEU 17 3HD1 LEU 17 3.730 -0.942 -9.607 140 1HD2 LEU 17 1HD2 LEU 17 5.451 0.439 -12.438 141 2HD2 LEU 17 2HD2 LEU 17 5.780 -1.260 -12.773 142 3HD2 LEU 17 3HD2 LEU 17 4.158 -0.752 -12.306 143 H ASP 18 H ASP 18 9.925 -1.424 -12.007 144 HA ASP 18 HA ASP 18 11.620 -0.483 -9.909 145 1HB ASP 18 1HB ASP 18 12.183 -2.642 -10.412 146 2HB ASP 18 2HB ASP 18 11.872 -2.445 -12.126 147 H ASN 19 H ASN 19 11.857 1.680 -10.125 148 HA ASN 19 HA ASN 19 12.842 3.625 -10.727 149 1HB ASN 19 1HB ASN 19 14.752 1.716 -11.246 150 2HB ASN 19 2HB ASN 19 14.618 2.534 -12.800 151 2HD2 ASN 19 2HD2 ASN 19 14.378 5.053 -12.406 152 1HD2 ASN 19 1HD2 ASN 19 15.620 5.716 -11.405 153 H TYR 20 H TYR 20 10.514 2.773 -12.038 154 HA TYR 20 HA TYR 20 10.660 3.309 -14.832 155 1HB TYR 20 1HB TYR 20 8.744 2.133 -13.693 156 2HB TYR 20 2HB TYR 20 8.280 3.677 -12.987 157 HD1 TYR 20 HD1 TYR 20 8.934 2.108 -16.314 158 HD2 TYR 20 HD2 TYR 20 6.729 4.991 -14.094 159 HE1 TYR 20 HE1 TYR 20 7.591 2.611 -18.311 160 HE2 TYR 20 HE2 TYR 20 5.379 5.500 -16.084 161 HH TYR 20 HH TYR 20 5.791 5.283 -18.693 162 H ARG 21 H ARG 21 9.476 5.337 -15.735 163 HA ARG 21 HA ARG 21 10.756 7.583 -15.569 164 1HB ARG 21 1HB ARG 21 7.802 7.179 -15.658 165 2HB ARG 21 2HB ARG 21 8.410 8.821 -15.500 166 1HG ARG 21 1HG ARG 21 9.695 7.221 -17.599 167 2HG ARG 21 2HG ARG 21 7.983 7.565 -17.853 168 1HD ARG 21 1HD ARG 21 8.509 9.610 -18.533 169 2HD ARG 21 2HD ARG 21 9.194 9.952 -16.946 170 HE ARG 21 HE ARG 21 11.011 8.512 -18.606 171 1HH1 ARG 21 1HH1 ARG 21 9.716 11.682 -17.962 172 2HH1 ARG 21 2HH1 ARG 21 11.111 12.515 -18.563 173 1HH2 ARG 21 1HH2 ARG 21 12.851 9.601 -19.397 174 2HH2 ARG 21 2HH2 ARG 21 12.892 11.332 -19.379 175 H GLY 22 H GLY 22 8.537 6.537 -13.066 176 1HA GLY 22 1HA GLY 22 8.071 7.388 -10.969 177 2HA GLY 22 2HA GLY 22 8.969 8.836 -11.393 178 H TYR 23 H TYR 23 9.029 5.850 -9.724 179 HA TYR 23 HA TYR 23 11.893 6.215 -9.171 180 1HB TYR 23 1HB TYR 23 9.629 6.004 -7.228 181 2HB TYR 23 2HB TYR 23 11.249 5.502 -6.758 182 HD1 TYR 23 HD1 TYR 23 9.451 8.396 -8.281 183 HD2 TYR 23 HD2 TYR 23 12.693 7.084 -5.860 184 HE1 TYR 23 HE1 TYR 23 10.012 10.735 -7.780 185 HE2 TYR 23 HE2 TYR 23 13.263 9.420 -5.350 186 HH TYR 23 HH TYR 23 12.016 12.035 -7.065 187 H SER 24 H SER 24 12.629 4.385 -7.577 188 HA SER 24 HA SER 24 12.505 1.979 -9.114 189 1HB SER 24 1HB SER 24 14.238 1.169 -7.657 190 2HB SER 24 2HB SER 24 14.591 2.852 -8.045 191 HG SER 24 HG SER 24 13.046 2.471 -5.792 192 H LEU 25 H LEU 25 12.198 -0.123 -8.149 193 HA LEU 25 HA LEU 25 9.701 -0.635 -7.250 194 1HB LEU 25 1HB LEU 25 12.263 -2.138 -6.810 195 2HB LEU 25 2HB LEU 25 10.734 -2.763 -6.226 196 HG LEU 25 HG LEU 25 11.693 -2.440 -9.037 197 1HD1 LEU 25 1HD1 LEU 25 11.985 -4.570 -7.836 198 2HD1 LEU 25 2HD1 LEU 25 10.236 -4.663 -7.619 199 3HD1 LEU 25 3HD1 LEU 25 10.927 -4.719 -9.241 200 1HD2 LEU 25 1HD2 LEU 25 8.845 -2.403 -8.100 201 2HD2 LEU 25 2HD2 LEU 25 9.639 -1.349 -9.268 202 3HD2 LEU 25 3HD2 LEU 25 9.290 -3.025 -9.688 203 H GLY 26 H GLY 26 12.556 -0.389 -5.104 204 1HA GLY 26 1HA GLY 26 12.702 0.369 -2.935 205 2HA GLY 26 2HA GLY 26 11.463 -0.846 -2.671 206 H ASN 27 H ASN 27 11.135 2.186 -4.482 207 HA ASN 27 HA ASN 27 9.874 3.616 -2.381 208 1HB ASN 27 1HB ASN 27 9.725 4.074 -5.365 209 2HB ASN 27 2HB ASN 27 9.232 5.226 -4.128 210 2HD2 ASN 27 2HD2 ASN 27 11.897 3.699 -5.729 211 1HD2 ASN 27 1HD2 ASN 27 13.132 4.735 -5.106 212 H TRP 28 H TRP 28 8.714 1.536 -4.929 213 HA TRP 28 HA TRP 28 5.942 2.121 -4.617 214 1HB TRP 28 1HB TRP 28 7.331 -0.245 -5.864 215 2HB TRP 28 2HB TRP 28 5.608 0.105 -5.995 216 HD1 TRP 28 HD1 TRP 28 8.961 1.102 -7.385 217 HE1 TRP 28 HE1 TRP 28 8.632 2.788 -9.290 218 HE3 TRP 28 HE3 TRP 28 3.978 1.991 -6.790 219 HZ2 TRP 28 HZ2 TRP 28 6.518 4.294 -10.418 220 HZ3 TRP 28 HZ3 TRP 28 2.856 3.558 -8.313 221 HH2 TRP 28 HH2 TRP 28 4.104 4.692 -10.097 222 H VAL 29 H VAL 29 8.085 -0.439 -3.391 223 HA VAL 29 HA VAL 29 6.048 -1.903 -2.103 224 HB VAL 29 HB VAL 29 9.017 -1.795 -1.553 225 1HG1 VAL 29 1HG1 VAL 29 6.887 -3.141 -0.164 226 2HG1 VAL 29 2HG1 VAL 29 8.015 -4.306 -0.859 227 3HG1 VAL 29 3HG1 VAL 29 8.604 -3.050 0.230 228 1HG2 VAL 29 1HG2 VAL 29 7.328 -3.403 -3.427 229 2HG2 VAL 29 2HG2 VAL 29 8.842 -2.552 -3.735 230 3HG2 VAL 29 3HG2 VAL 29 8.847 -4.053 -2.809 231 H CYS 30 H CYS 30 8.433 0.424 -0.911 232 HA CYS 30 HA CYS 30 7.672 0.405 1.767 233 1HB CYS 30 1HB CYS 30 9.733 1.444 0.746 234 2HB CYS 30 2HB CYS 30 8.720 2.795 0.251 235 H ALA 31 H ALA 31 6.587 2.518 -0.886 236 HA ALA 31 HA ALA 31 4.844 4.101 0.651 237 1HB ALA 31 1HB ALA 31 5.737 4.545 -1.692 238 2HB ALA 31 2HB ALA 31 4.056 4.978 -1.376 239 3HB ALA 31 3HB ALA 31 4.435 3.500 -2.262 240 H ALA 32 H ALA 32 4.248 1.186 -1.288 241 HA ALA 32 HA ALA 32 1.451 1.123 -0.822 242 1HB ALA 32 1HB ALA 32 2.903 -0.073 -2.630 243 2HB ALA 32 2HB ALA 32 2.996 -1.357 -1.424 244 3HB ALA 32 3HB ALA 32 1.427 -0.832 -2.033 245 H LYS 33 H LYS 33 4.159 -0.652 0.664 246 HA LYS 33 HA LYS 33 2.837 -2.339 2.340 247 1HB LYS 33 1HB LYS 33 5.280 -2.277 2.079 248 2HB LYS 33 2HB LYS 33 5.337 -0.772 2.983 249 1HG LYS 33 1HG LYS 33 4.522 -1.898 4.968 250 2HG LYS 33 2HG LYS 33 4.371 -3.409 4.069 251 1HD LYS 33 1HD LYS 33 6.813 -3.337 3.636 252 2HD LYS 33 2HD LYS 33 6.918 -1.902 4.658 253 1HE LYS 33 1HE LYS 33 6.621 -3.080 6.579 254 2HE LYS 33 2HE LYS 33 5.578 -4.277 5.811 255 1HZ LYS 33 1HZ LYS 33 8.376 -4.252 4.993 256 2HZ LYS 33 2HZ LYS 33 8.051 -4.808 6.556 257 3HZ LYS 33 3HZ LYS 33 7.328 -5.559 5.225 258 H PHE 34 H PHE 34 3.897 0.955 3.216 259 HA PHE 34 HA PHE 34 2.446 0.858 5.656 260 1HB PHE 34 1HB PHE 34 4.133 2.799 4.305 261 2HB PHE 34 2HB PHE 34 2.984 3.463 5.448 262 HD1 PHE 34 HD1 PHE 34 3.000 2.463 7.809 263 HD2 PHE 34 HD2 PHE 34 6.162 1.933 5.012 264 HE1 PHE 34 HE1 PHE 34 4.528 1.895 9.652 265 HE2 PHE 34 HE2 PHE 34 7.697 1.362 6.848 266 HZ PHE 34 HZ PHE 34 6.880 1.342 9.172 267 H GLU 35 H GLU 35 1.618 1.720 2.458 268 HA GLU 35 HA GLU 35 -0.432 3.573 2.991 269 1HB GLU 35 1HB GLU 35 0.683 2.168 0.744 270 2HB GLU 35 2HB GLU 35 -1.072 2.126 0.660 271 1HG GLU 35 1HG GLU 35 -1.243 4.443 0.532 272 2HG GLU 35 2HG GLU 35 0.389 4.690 1.155 273 H SER 36 H SER 36 -0.601 0.123 2.168 274 HA SER 36 HA SER 36 -3.205 -0.014 3.552 275 1HB SER 36 1HB SER 36 -3.824 -1.698 1.721 276 2HB SER 36 2HB SER 36 -3.740 -0.006 1.234 277 HG SER 36 HG SER 36 -1.591 -0.455 0.494 278 H ASN 37 H ASN 37 -0.182 -1.034 3.850 279 HA ASN 37 HA ASN 37 0.841 -2.823 4.843 280 1HB ASN 37 1HB ASN 37 -1.281 -2.446 6.371 281 2HB ASN 37 2HB ASN 37 -1.809 -3.966 5.657 282 2HD2 ASN 37 2HD2 ASN 37 0.571 -2.416 7.668 283 1HD2 ASN 37 1HD2 ASN 37 1.201 -3.860 8.379 284 H PHE 38 H PHE 38 -0.188 -2.866 2.136 285 HA PHE 38 HA PHE 38 -0.140 -4.159 0.330 286 1HB PHE 38 1HB PHE 38 0.723 -6.256 2.318 287 2HB PHE 38 2HB PHE 38 0.575 -6.572 0.591 288 HD1 PHE 38 HD1 PHE 38 1.616 -4.230 -0.677 289 HD2 PHE 38 HD2 PHE 38 2.966 -6.175 2.857 290 HE1 PHE 38 HE1 PHE 38 3.867 -3.315 -1.045 291 HE2 PHE 38 HE2 PHE 38 5.221 -5.261 2.498 292 HZ PHE 38 HZ PHE 38 5.677 -3.836 0.544 293 H ASN 39 H ASN 39 -2.533 -3.838 2.131 294 HA ASN 39 HA ASN 39 -4.061 -6.239 1.625 295 1HB ASN 39 1HB ASN 39 -4.409 -4.827 3.668 296 2HB ASN 39 2HB ASN 39 -5.041 -3.558 2.627 297 2HD2 ASN 39 2HD2 ASN 39 -5.616 -6.908 1.924 298 1HD2 ASN 39 1HD2 ASN 39 -7.294 -6.916 2.335 299 H THR 40 H THR 40 -4.677 -6.637 -0.360 300 HA THR 40 HA THR 40 -4.832 -4.708 -2.416 301 HB THR 40 HB THR 40 -5.204 -6.469 -3.832 302 HG1 THR 40 HG1 THR 40 -6.744 -7.975 -3.506 303 1HG2 THR 40 1HG2 THR 40 -4.301 -7.849 -1.312 304 2HG2 THR 40 2HG2 THR 40 -4.238 -8.564 -2.923 305 3HG2 THR 40 3HG2 THR 40 -3.276 -7.133 -2.556 306 H GLN 41 H GLN 41 -6.960 -5.766 -0.019 307 HA GLN 41 HA GLN 41 -9.305 -4.657 -1.377 308 1HB GLN 41 1HB GLN 41 -8.821 -6.763 0.639 309 2HB GLN 41 2HB GLN 41 -10.282 -5.828 0.833 310 1HG GLN 41 1HG GLN 41 -9.681 -6.926 -1.851 311 2HG GLN 41 2HG GLN 41 -10.213 -8.042 -0.594 312 2HE2 GLN 41 2HE2 GLN 41 -12.248 -8.505 -1.078 313 1HE2 GLN 41 1HE2 GLN 41 -13.500 -7.350 -1.371 314 H ALA 42 H ALA 42 -6.961 -3.517 0.530 315 HA ALA 42 HA ALA 42 -8.299 -2.366 2.721 316 1HB ALA 42 1HB ALA 42 -6.212 -1.925 3.287 317 2HB ALA 42 2HB ALA 42 -5.664 -2.385 1.674 318 3HB ALA 42 3HB ALA 42 -6.120 -0.714 2.008 319 H THR 43 H THR 43 -9.523 -0.660 2.942 320 HA THR 43 HA THR 43 -9.655 1.338 0.778 321 HB THR 43 HB THR 43 -11.962 1.471 0.900 322 HG1 THR 43 HG1 THR 43 -13.131 1.056 2.720 323 1HG2 THR 43 1HG2 THR 43 -10.896 -1.120 0.733 324 2HG2 THR 43 2HG2 THR 43 -12.331 -1.255 1.750 325 3HG2 THR 43 3HG2 THR 43 -12.458 -0.563 0.133 326 H ASN 44 H ASN 44 -9.437 3.462 1.446 327 HA ASN 44 HA ASN 44 -9.502 3.951 4.348 328 1HB ASN 44 1HB ASN 44 -7.305 4.294 2.478 329 2HB ASN 44 2HB ASN 44 -7.699 5.801 3.301 330 2HD2 ASN 44 2HD2 ASN 44 -6.300 2.699 3.567 331 1HD2 ASN 44 1HD2 ASN 44 -5.823 2.805 5.224 332 H ARG 45 H ARG 45 -11.353 5.060 4.576 333 HA ARG 45 HA ARG 45 -12.161 7.054 2.642 334 1HB ARG 45 1HB ARG 45 -13.699 5.453 3.960 335 2HB ARG 45 2HB ARG 45 -13.485 6.572 5.299 336 1HG ARG 45 1HG ARG 45 -14.756 8.182 4.342 337 2HG ARG 45 2HG ARG 45 -14.286 7.735 2.702 338 1HD ARG 45 1HD ARG 45 -15.738 5.575 3.862 339 2HD ARG 45 2HD ARG 45 -16.655 7.062 4.099 340 HE ARG 45 HE ARG 45 -15.984 5.804 1.556 341 1HH1 ARG 45 1HH1 ARG 45 -17.384 8.501 3.261 342 2HH1 ARG 45 2HH1 ARG 45 -18.273 9.072 1.889 343 1HH2 ARG 45 1HH2 ARG 45 -17.151 6.549 -0.255 344 2HH2 ARG 45 2HH2 ARG 45 -18.142 7.963 -0.109 345 H ASN 46 H ASN 46 -11.879 9.190 2.790 346 HA ASN 46 HA ASN 46 -10.665 10.246 5.257 347 1HB ASN 46 1HB ASN 46 -10.473 11.638 2.607 348 2HB ASN 46 2HB ASN 46 -9.393 11.739 3.994 349 2HD2 ASN 46 2HD2 ASN 46 -7.810 10.208 4.274 350 1HD2 ASN 46 1HD2 ASN 46 -7.386 9.062 3.052 351 H THR 47 H THR 47 -11.010 12.746 5.354 352 HA THR 47 HA THR 47 -13.856 13.139 5.572 353 HB THR 47 HB THR 47 -13.247 15.364 6.505 354 HG1 THR 47 HG1 THR 47 -11.192 16.033 6.510 355 1HG2 THR 47 1HG2 THR 47 -13.177 13.024 7.746 356 2HG2 THR 47 2HG2 THR 47 -11.468 13.428 7.900 357 3HG2 THR 47 3HG2 THR 47 -12.693 14.513 8.558 358 H ASP 48 H ASP 48 -11.492 13.745 3.208 359 HA ASP 48 HA ASP 48 -12.632 16.087 2.045 360 1HB ASP 48 1HB ASP 48 -11.202 15.415 0.058 361 2HB ASP 48 2HB ASP 48 -10.345 15.692 1.570 362 H GLY 49 H GLY 49 -13.562 12.841 2.084 363 1HA GLY 49 1HA GLY 49 -15.445 13.354 -0.124 364 2HA GLY 49 2HA GLY 49 -15.736 12.258 1.217 365 H SER 50 H SER 50 -12.670 12.327 -0.439 366 HA SER 50 HA SER 50 -13.341 10.143 -2.200 367 1HB SER 50 1HB SER 50 -10.680 10.252 -2.438 368 2HB SER 50 2HB SER 50 -11.743 11.399 -3.253 369 HG SER 50 HG SER 50 -10.682 12.861 -2.192 370 H THR 51 H THR 51 -11.721 8.258 -2.258 371 HA THR 51 HA THR 51 -11.008 7.345 0.436 372 HB THR 51 HB THR 51 -12.411 5.422 -1.380 373 HG1 THR 51 HG1 THR 51 -14.337 6.057 -0.034 374 1HG2 THR 51 1HG2 THR 51 -11.155 4.958 0.890 375 2HG2 THR 51 2HG2 THR 51 -12.674 5.520 1.587 376 3HG2 THR 51 3HG2 THR 51 -12.662 4.130 0.502 377 H ASP 52 H ASP 52 -9.725 5.286 0.362 378 HA ASP 52 HA ASP 52 -8.039 5.202 -2.056 379 1HB ASP 52 1HB ASP 52 -7.252 4.658 0.816 380 2HB ASP 52 2HB ASP 52 -6.185 4.525 -0.579 381 H TYR 53 H TYR 53 -9.325 3.607 -3.008 382 HA TYR 53 HA TYR 53 -9.559 1.060 -1.610 383 1HB TYR 53 1HB TYR 53 -10.615 1.853 -4.330 384 2HB TYR 53 2HB TYR 53 -10.990 0.374 -3.457 385 HD1 TYR 53 HD1 TYR 53 -12.004 0.799 -1.025 386 HD2 TYR 53 HD2 TYR 53 -12.150 3.561 -4.255 387 HE1 TYR 53 HE1 TYR 53 -13.959 1.884 -0.001 388 HE2 TYR 53 HE2 TYR 53 -14.103 4.657 -3.239 389 HH TYR 53 HH TYR 53 -15.166 4.898 -1.085 390 H GLY 54 H GLY 54 -7.163 0.646 -1.721 391 1HA GLY 54 1HA GLY 54 -5.964 0.326 -4.284 392 2HA GLY 54 2HA GLY 54 -6.534 -1.216 -3.666 393 H ILE 55 H ILE 55 -4.253 -1.810 -3.784 394 HA ILE 55 HA ILE 55 -2.987 -1.645 -1.241 395 HB ILE 55 HB ILE 55 -2.650 -3.550 -2.861 396 1HG1 ILE 55 1HG1 ILE 55 -0.127 -2.116 -1.988 397 2HG1 ILE 55 2HG1 ILE 55 -1.109 -3.164 -0.970 398 1HG2 ILE 55 1HG2 ILE 55 -1.825 -1.387 -4.551 399 2HG2 ILE 55 2HG2 ILE 55 -0.510 -2.551 -4.387 400 3HG2 ILE 55 3HG2 ILE 55 -2.092 -3.082 -4.959 401 1HD1 ILE 55 1HD1 ILE 55 -0.563 -4.754 -3.136 402 2HD1 ILE 55 2HD1 ILE 55 0.928 -3.834 -2.924 403 3HD1 ILE 55 3HD1 ILE 55 0.278 -4.782 -1.586 404 H LEU 56 H LEU 56 -2.969 0.198 -4.132 405 HA LEU 56 HA LEU 56 -0.767 1.878 -3.149 406 1HB LEU 56 1HB LEU 56 -1.291 0.821 -5.734 407 2HB LEU 56 2HB LEU 56 -1.561 2.549 -5.825 408 HG LEU 56 HG LEU 56 0.691 2.288 -6.442 409 1HD1 LEU 56 1HD1 LEU 56 0.098 3.781 -4.293 410 2HD1 LEU 56 2HD1 LEU 56 1.305 2.708 -3.585 411 3HD1 LEU 56 3HD1 LEU 56 1.714 3.684 -4.996 412 1HD2 LEU 56 1HD2 LEU 56 0.771 0.224 -4.267 413 2HD2 LEU 56 2HD2 LEU 56 1.189 0.064 -5.974 414 3HD2 LEU 56 3HD2 LEU 56 2.252 0.955 -4.885 415 H GLN 57 H GLN 57 -3.917 1.642 -2.840 416 HA GLN 57 HA GLN 57 -5.545 3.061 -2.198 417 1HB GLN 57 1HB GLN 57 -3.489 5.231 -2.638 418 2HB GLN 57 2HB GLN 57 -5.038 5.438 -1.832 419 1HG GLN 57 1HG GLN 57 -4.223 3.618 -0.223 420 2HG GLN 57 2HG GLN 57 -2.626 3.931 -0.901 421 2HE2 GLN 57 2HE2 GLN 57 -4.261 4.509 1.715 422 1HE2 GLN 57 1HE2 GLN 57 -3.774 6.122 2.098 423 H ILE 58 H ILE 58 -6.499 2.305 -4.329 424 HA ILE 58 HA ILE 58 -6.324 4.200 -6.496 425 HB ILE 58 HB ILE 58 -8.299 1.939 -6.306 426 1HG1 ILE 58 1HG1 ILE 58 -6.193 0.909 -5.793 427 2HG1 ILE 58 2HG1 ILE 58 -6.555 0.553 -7.478 428 1HG2 ILE 58 1HG2 ILE 58 -8.232 3.790 -8.144 429 2HG2 ILE 58 2HG2 ILE 58 -6.889 2.837 -8.777 430 3HG2 ILE 58 3HG2 ILE 58 -8.482 2.103 -8.593 431 1HD1 ILE 58 1HD1 ILE 58 -4.670 2.688 -6.505 432 2HD1 ILE 58 2HD1 ILE 58 -4.208 1.112 -7.147 433 3HD1 ILE 58 3HD1 ILE 58 -5.009 2.289 -8.188 434 H ASN 59 H ASN 59 -7.207 6.123 -5.873 435 HA ASN 59 HA ASN 59 -9.607 6.346 -4.393 436 1HB ASN 59 1HB ASN 59 -7.887 8.126 -4.508 437 2HB ASN 59 2HB ASN 59 -8.276 8.377 -6.207 438 2HD2 ASN 59 2HD2 ASN 59 -8.479 10.568 -4.951 439 1HD2 ASN 59 1HD2 ASN 59 -10.094 10.983 -4.501 440 H SER 60 H SER 60 -11.304 5.252 -5.303 441 HA SER 60 HA SER 60 -11.873 5.179 -8.058 442 1HB SER 60 1HB SER 60 -13.831 4.028 -7.475 443 2HB SER 60 2HB SER 60 -12.727 3.652 -6.152 444 HG SER 60 HG SER 60 -13.805 5.691 -5.222 445 H ARG 61 H ARG 61 -12.256 7.708 -5.817 446 HA ARG 61 HA ARG 61 -14.411 8.940 -7.379 447 1HB ARG 61 1HB ARG 61 -14.259 8.791 -4.742 448 2HB ARG 61 2HB ARG 61 -13.254 10.220 -4.940 449 1HG ARG 61 1HG ARG 61 -15.179 11.174 -6.312 450 2HG ARG 61 2HG ARG 61 -16.144 9.854 -5.648 451 1HD ARG 61 1HD ARG 61 -15.758 10.614 -3.409 452 2HD ARG 61 2HD ARG 61 -14.596 11.817 -3.967 453 HE ARG 61 HE ARG 61 -17.458 11.937 -4.665 454 1HH1 ARG 61 1HH1 ARG 61 -14.509 13.429 -3.561 455 2HH1 ARG 61 2HH1 ARG 61 -15.190 15.020 -3.488 456 1HH2 ARG 61 1HH2 ARG 61 -18.362 14.028 -4.571 457 2HH2 ARG 61 2HH2 ARG 61 -17.379 15.360 -4.061 458 H TRP 62 H TRP 62 -11.537 8.646 -8.168 459 HA TRP 62 HA TRP 62 -11.222 11.305 -9.218 460 1HB TRP 62 1HB TRP 62 -10.084 10.943 -6.770 461 2HB TRP 62 2HB TRP 62 -8.745 10.528 -7.836 462 HD1 TRP 62 HD1 TRP 62 -11.374 13.400 -7.933 463 HE1 TRP 62 HE1 TRP 62 -10.105 15.609 -8.306 464 HE3 TRP 62 HE3 TRP 62 -6.597 11.583 -8.060 465 HZ2 TRP 62 HZ2 TRP 62 -7.434 16.467 -8.614 466 HZ3 TRP 62 HZ3 TRP 62 -4.743 13.163 -8.399 467 HH2 TRP 62 HH2 TRP 62 -5.154 15.555 -8.671 468 H TRP 63 H TRP 63 -10.513 7.964 -9.297 469 HA TRP 63 HA TRP 63 -8.896 8.403 -11.710 470 1HB TRP 63 1HB TRP 63 -8.385 6.397 -9.508 471 2HB TRP 63 2HB TRP 63 -7.613 6.323 -11.090 472 HD1 TRP 63 HD1 TRP 63 -6.644 7.293 -7.828 473 HE1 TRP 63 HE1 TRP 63 -4.906 9.198 -7.833 474 HE3 TRP 63 HE3 TRP 63 -7.282 8.936 -12.598 475 HZ2 TRP 63 HZ2 TRP 63 -3.945 11.158 -9.647 476 HZ3 TRP 63 HZ3 TRP 63 -5.967 10.825 -13.403 477 HH2 TRP 63 HH2 TRP 63 -4.309 11.920 -11.961 478 H CYS 64 H CYS 64 -10.167 5.565 -10.031 479 HA CYS 64 HA CYS 64 -11.148 4.570 -12.586 480 1HB CYS 64 1HB CYS 64 -11.168 2.432 -11.657 481 2HB CYS 64 2HB CYS 64 -9.826 3.195 -10.814 482 H ASN 65 H ASN 65 -13.206 3.649 -12.872 483 HA ASN 65 HA ASN 65 -15.289 5.198 -11.519 484 1HB ASN 65 1HB ASN 65 -15.189 5.145 -14.014 485 2HB ASN 65 2HB ASN 65 -15.523 3.416 -13.954 486 2HD2 ASN 65 2HD2 ASN 65 -17.548 2.921 -14.315 487 1HD2 ASN 65 1HD2 ASN 65 -18.925 3.889 -13.925 488 H ASP 66 H ASP 66 -15.952 4.259 -9.692 489 HA ASP 66 HA ASP 66 -16.276 1.352 -9.600 490 1HB ASP 66 1HB ASP 66 -16.371 1.563 -7.210 491 2HB ASP 66 2HB ASP 66 -15.017 2.529 -7.786 492 H GLY 67 H GLY 67 -18.110 4.234 -9.881 493 1HA GLY 67 1HA GLY 67 -20.542 2.748 -10.165 494 2HA GLY 67 2HA GLY 67 -20.366 4.492 -10.282 495 H ARG 68 H ARG 68 -19.099 3.145 -7.413 496 HA ARG 68 HA ARG 68 -21.570 3.315 -5.921 497 1HB ARG 68 1HB ARG 68 -18.722 2.726 -5.118 498 2HB ARG 68 2HB ARG 68 -20.044 2.819 -3.961 499 1HG ARG 68 1HG ARG 68 -20.973 1.089 -5.915 500 2HG ARG 68 2HG ARG 68 -19.273 0.661 -5.720 501 1HD ARG 68 1HD ARG 68 -19.704 0.625 -3.229 502 2HD ARG 68 2HD ARG 68 -21.421 0.737 -3.613 503 HE ARG 68 HE ARG 68 -19.780 -1.462 -4.675 504 1HH1 ARG 68 1HH1 ARG 68 -22.500 -0.311 -2.826 505 2HH1 ARG 68 2HH1 ARG 68 -23.203 -1.882 -2.640 506 1HH2 ARG 68 1HH2 ARG 68 -20.699 -3.535 -4.435 507 2HH2 ARG 68 2HH2 ARG 68 -22.180 -3.715 -3.555 508 H THR 69 H THR 69 -19.425 5.544 -7.053 509 HA THR 69 HA THR 69 -20.232 7.476 -5.000 510 HB THR 69 HB THR 69 -17.481 7.737 -6.125 511 HG1 THR 69 HG1 THR 69 -17.947 6.215 -3.780 512 1HG2 THR 69 1HG2 THR 69 -19.078 8.825 -3.934 513 2HG2 THR 69 2HG2 THR 69 -17.453 8.343 -3.444 514 3HG2 THR 69 3HG2 THR 69 -17.671 9.503 -4.755 515 HA PRO 70 HA PRO 70 -21.336 9.527 -8.840 516 1HB PRO 70 1HB PRO 70 -22.505 11.692 -7.695 517 2HB PRO 70 2HB PRO 70 -23.305 10.121 -7.815 518 1HG PRO 70 1HG PRO 70 -21.874 11.344 -5.488 519 2HG PRO 70 2HG PRO 70 -23.410 10.458 -5.516 520 1HD PRO 70 1HD PRO 70 -21.082 9.307 -4.755 521 2HD PRO 70 2HD PRO 70 -22.368 8.401 -5.577 522 H GLY 71 H GLY 71 -20.309 11.010 -10.076 523 1HA GLY 71 1HA GLY 71 -18.684 13.073 -8.763 524 2HA GLY 71 2HA GLY 71 -19.185 13.076 -10.447 525 H SER 72 H SER 72 -18.337 10.063 -10.299 526 HA SER 72 HA SER 72 -15.560 9.971 -9.941 527 1HB SER 72 1HB SER 72 -16.818 7.920 -10.017 528 2HB SER 72 2HB SER 72 -17.391 8.273 -11.647 529 HG SER 72 HG SER 72 -15.487 7.722 -12.460 530 H ARG 73 H ARG 73 -13.957 10.815 -11.079 531 HA ARG 73 HA ARG 73 -14.444 12.204 -13.532 532 1HB ARG 73 1HB ARG 73 -12.427 12.175 -11.533 533 2HB ARG 73 2HB ARG 73 -11.645 11.834 -13.071 534 1HG ARG 73 1HG ARG 73 -11.823 13.948 -13.723 535 2HG ARG 73 2HG ARG 73 -13.536 14.008 -13.303 536 1HD ARG 73 1HD ARG 73 -12.924 15.428 -11.689 537 2HD ARG 73 2HD ARG 73 -12.309 14.005 -10.848 538 HE ARG 73 HE ARG 73 -10.161 14.577 -12.161 539 1HH1 ARG 73 1HH1 ARG 73 -12.426 16.881 -10.855 540 2HH1 ARG 73 2HH1 ARG 73 -11.236 18.120 -10.634 541 1HH2 ARG 73 1HH2 ARG 73 -8.588 16.202 -11.873 542 2HH2 ARG 73 2HH2 ARG 73 -9.054 17.734 -11.213 543 H ASN 74 H ASN 74 -12.749 9.234 -12.630 544 HA ASN 74 HA ASN 74 -12.133 7.387 -13.829 545 1HB ASN 74 1HB ASN 74 -14.517 7.959 -14.872 546 2HB ASN 74 2HB ASN 74 -13.547 8.351 -16.288 547 2HD2 ASN 74 2HD2 ASN 74 -14.275 6.670 -17.521 548 1HD2 ASN 74 1HD2 ASN 74 -13.895 5.018 -17.189 549 H LEU 75 H LEU 75 -10.602 9.817 -13.796 550 HA LEU 75 HA LEU 75 -9.470 10.670 -16.160 551 1HB LEU 75 1HB LEU 75 -8.687 10.360 -13.335 552 2HB LEU 75 2HB LEU 75 -7.369 10.576 -14.462 553 HG LEU 75 HG LEU 75 -9.730 12.439 -14.060 554 1HD1 LEU 75 1HD1 LEU 75 -8.170 12.469 -12.182 555 2HD1 LEU 75 2HD1 LEU 75 -6.833 12.780 -13.290 556 3HD1 LEU 75 3HD1 LEU 75 -8.109 13.981 -13.090 557 1HD2 LEU 75 1HD2 LEU 75 -8.065 12.162 -16.298 558 2HD2 LEU 75 2HD2 LEU 75 -9.188 13.476 -15.948 559 3HD2 LEU 75 3HD2 LEU 75 -7.500 13.602 -15.451 560 H CYS 76 H CYS 76 -8.597 8.121 -14.045 561 HA CYS 76 HA CYS 76 -6.480 7.044 -15.612 562 1HB CYS 76 1HB CYS 76 -7.284 6.989 -13.029 563 2HB CYS 76 2HB CYS 76 -7.793 5.399 -13.577 564 H ASN 77 H ASN 77 -9.882 6.505 -15.196 565 HA ASN 77 HA ASN 77 -11.406 5.109 -16.175 566 1HB ASN 77 1HB ASN 77 -10.293 6.436 -18.155 567 2HB ASN 77 2HB ASN 77 -9.603 4.868 -18.560 568 2HD2 ASN 77 2HD2 ASN 77 -11.888 6.807 -19.513 569 1HD2 ASN 77 1HD2 ASN 77 -13.148 5.700 -19.925 570 H ILE 78 H ILE 78 -10.069 3.746 -14.428 571 HA ILE 78 HA ILE 78 -9.238 1.284 -15.782 572 HB ILE 78 HB ILE 78 -7.518 0.973 -14.379 573 1HG1 ILE 78 1HG1 ILE 78 -9.490 1.758 -12.331 574 2HG1 ILE 78 2HG1 ILE 78 -8.281 0.481 -12.297 575 1HG2 ILE 78 1HG2 ILE 78 -7.404 3.325 -15.265 576 2HG2 ILE 78 2HG2 ILE 78 -7.929 3.862 -13.669 577 3HG2 ILE 78 3HG2 ILE 78 -6.409 2.987 -13.847 578 1HD1 ILE 78 1HD1 ILE 78 -6.582 2.325 -11.887 579 2HD1 ILE 78 2HD1 ILE 78 -7.967 3.372 -11.576 580 3HD1 ILE 78 3HD1 ILE 78 -7.697 1.946 -10.574 581 HA PRO 79 HA PRO 79 -12.541 -0.761 -13.649 582 1HB PRO 79 1HB PRO 79 -11.682 -3.314 -13.693 583 2HB PRO 79 2HB PRO 79 -12.190 -2.481 -15.166 584 1HG PRO 79 1HG PRO 79 -9.432 -3.016 -14.144 585 2HG PRO 79 2HG PRO 79 -10.049 -3.106 -15.803 586 1HD PRO 79 1HD PRO 79 -8.622 -0.983 -14.798 587 2HD PRO 79 2HD PRO 79 -9.758 -0.866 -16.155 588 H CYS 80 H CYS 80 -12.750 -0.334 -11.518 589 HA CYS 80 HA CYS 80 -10.679 -0.523 -9.638 590 1HB CYS 80 1HB CYS 80 -13.571 -0.658 -8.850 591 2HB CYS 80 2HB CYS 80 -12.241 0.175 -8.051 592 H SER 81 H SER 81 -13.602 -2.586 -9.861 593 HA SER 81 HA SER 81 -12.834 -4.450 -7.962 594 1HB SER 81 1HB SER 81 -14.370 -6.026 -9.313 595 2HB SER 81 2HB SER 81 -15.073 -4.548 -8.655 596 HG SER 81 HG SER 81 -15.716 -4.507 -10.715 597 H ALA 82 H ALA 82 -11.733 -4.130 -11.258 598 HA ALA 82 HA ALA 82 -10.719 -6.797 -11.496 599 1HB ALA 82 1HB ALA 82 -11.328 -5.215 -13.394 600 2HB ALA 82 2HB ALA 82 -9.837 -6.142 -13.568 601 3HB ALA 82 3HB ALA 82 -9.770 -4.443 -13.098 602 H LEU 83 H LEU 83 -9.703 -4.114 -9.782 603 HA LEU 83 HA LEU 83 -6.883 -4.938 -9.800 604 1HB LEU 83 1HB LEU 83 -6.288 -2.822 -9.165 605 2HB LEU 83 2HB LEU 83 -7.748 -2.471 -10.069 606 HG LEU 83 HG LEU 83 -8.766 -2.784 -7.567 607 1HD1 LEU 83 1HD1 LEU 83 -5.925 -2.348 -7.263 608 2HD1 LEU 83 2HD1 LEU 83 -6.867 -1.056 -6.518 609 3HD1 LEU 83 3HD1 LEU 83 -7.144 -2.733 -6.049 610 1HD2 LEU 83 1HD2 LEU 83 -9.072 -0.939 -9.258 611 2HD2 LEU 83 2HD2 LEU 83 -9.064 -0.434 -7.568 612 3HD2 LEU 83 3HD2 LEU 83 -7.635 -0.183 -8.571 613 H LEU 84 H LEU 84 -9.713 -5.352 -8.090 614 HA LEU 84 HA LEU 84 -8.285 -5.914 -5.583 615 1HB LEU 84 1HB LEU 84 -11.257 -5.734 -5.729 616 2HB LEU 84 2HB LEU 84 -10.179 -5.339 -4.402 617 HG LEU 84 HG LEU 84 -10.013 -3.666 -6.850 618 1HD1 LEU 84 1HD1 LEU 84 -12.492 -4.128 -5.659 619 2HD1 LEU 84 2HD1 LEU 84 -11.949 -2.573 -5.029 620 3HD1 LEU 84 3HD1 LEU 84 -12.061 -2.829 -6.771 621 1HD2 LEU 84 1HD2 LEU 84 -9.834 -3.112 -3.892 622 2HD2 LEU 84 2HD2 LEU 84 -8.489 -3.258 -5.024 623 3HD2 LEU 84 3HD2 LEU 84 -9.618 -1.911 -5.166 624 H SER 85 H SER 85 -8.121 -7.730 -7.666 625 HA SER 85 HA SER 85 -9.654 -9.974 -6.560 626 1HB SER 85 1HB SER 85 -9.867 -10.968 -8.787 627 2HB SER 85 2HB SER 85 -10.577 -9.353 -8.782 628 HG SER 85 HG SER 85 -8.017 -10.088 -9.760 629 H SER 86 H SER 86 -7.166 -9.058 -5.847 630 HA SER 86 HA SER 86 -5.172 -9.930 -5.143 631 1HB SER 86 1HB SER 86 -6.392 -12.177 -5.254 632 2HB SER 86 2HB SER 86 -5.696 -12.364 -6.863 633 HG SER 86 HG SER 86 -3.975 -11.693 -4.773 634 H ASP 87 H ASP 87 -5.930 -8.570 -7.695 635 HA ASP 87 HA ASP 87 -3.457 -9.036 -9.211 636 1HB ASP 87 1HB ASP 87 -5.697 -9.660 -10.233 637 2HB ASP 87 2HB ASP 87 -6.061 -7.941 -10.242 638 H ILE 88 H ILE 88 -2.062 -7.373 -8.965 639 HA ILE 88 HA ILE 88 -3.074 -4.761 -8.182 640 HB ILE 88 HB ILE 88 -0.454 -4.309 -8.348 641 1HG1 ILE 88 1HG1 ILE 88 -0.386 -7.158 -7.442 642 2HG1 ILE 88 2HG1 ILE 88 -0.310 -6.812 -9.168 643 1HG2 ILE 88 1HG2 ILE 88 -2.109 -5.515 -6.186 644 2HG2 ILE 88 2HG2 ILE 88 -0.385 -5.250 -5.919 645 3HG2 ILE 88 3HG2 ILE 88 -1.435 -3.890 -6.318 646 1HD1 ILE 88 1HD1 ILE 88 1.518 -5.149 -7.680 647 2HD1 ILE 88 2HD1 ILE 88 1.802 -6.864 -7.382 648 3HD1 ILE 88 3HD1 ILE 88 1.825 -6.240 -9.031 649 H THR 89 H THR 89 -2.461 -6.352 -11.048 650 HA THR 89 HA THR 89 -1.076 -4.667 -12.679 651 HB THR 89 HB THR 89 -3.664 -5.866 -13.630 652 HG1 THR 89 HG1 THR 89 -1.555 -7.153 -12.456 653 1HG2 THR 89 1HG2 THR 89 -1.142 -4.931 -14.819 654 2HG2 THR 89 2HG2 THR 89 -1.739 -6.467 -15.449 655 3HG2 THR 89 3HG2 THR 89 -2.758 -5.029 -15.519 656 H ALA 90 H ALA 90 -4.609 -4.470 -12.152 657 HA ALA 90 HA ALA 90 -4.989 -2.158 -13.616 658 1HB ALA 90 1HB ALA 90 -6.568 -3.865 -11.957 659 2HB ALA 90 2HB ALA 90 -6.963 -2.176 -11.641 660 3HB ALA 90 3HB ALA 90 -7.072 -2.815 -13.281 661 H SER 91 H SER 91 -4.421 -2.580 -10.138 662 HA SER 91 HA SER 91 -4.715 0.137 -9.427 663 1HB SER 91 1HB SER 91 -2.878 -0.998 -7.634 664 2HB SER 91 2HB SER 91 -4.623 -0.855 -7.420 665 HG SER 91 HG SER 91 -4.785 -2.892 -8.546 666 H VAL 92 H VAL 92 -1.992 -1.723 -10.562 667 HA VAL 92 HA VAL 92 -0.114 0.361 -10.033 668 HB VAL 92 HB VAL 92 0.168 -2.089 -11.769 669 1HG1 VAL 92 1HG1 VAL 92 1.903 0.293 -11.439 670 2HG1 VAL 92 2HG1 VAL 92 2.706 -1.277 -11.411 671 3HG1 VAL 92 3HG1 VAL 92 1.739 -0.805 -12.809 672 1HG2 VAL 92 1HG2 VAL 92 1.074 -1.343 -9.004 673 2HG2 VAL 92 2HG2 VAL 92 0.152 -2.756 -9.520 674 3HG2 VAL 92 3HG2 VAL 92 1.864 -2.624 -9.923 675 H ASN 93 H ASN 93 -1.590 -0.868 -13.048 676 HA ASN 93 HA ASN 93 -0.478 0.756 -14.849 677 1HB ASN 93 1HB ASN 93 -1.968 -0.280 -16.108 678 2HB ASN 93 2HB ASN 93 -2.818 -0.777 -14.668 679 2HD2 ASN 93 2HD2 ASN 93 -4.747 0.110 -14.197 680 1HD2 ASN 93 1HD2 ASN 93 -5.501 1.359 -15.123 681 H CYS 94 H CYS 94 -3.087 1.528 -12.652 682 HA CYS 94 HA CYS 94 -3.593 4.138 -13.554 683 1HB CYS 94 1HB CYS 94 -4.904 2.633 -11.862 684 2HB CYS 94 2HB CYS 94 -3.871 3.405 -10.661 685 H ALA 95 H ALA 95 -1.484 2.944 -10.927 686 HA ALA 95 HA ALA 95 -0.533 5.555 -10.294 687 1HB ALA 95 1HB ALA 95 -0.297 4.150 -8.519 688 2HB ALA 95 2HB ALA 95 0.302 2.819 -9.510 689 3HB ALA 95 3HB ALA 95 1.346 4.197 -9.157 690 H LYS 96 H LYS 96 0.657 2.987 -12.408 691 HA LYS 96 HA LYS 96 3.190 3.881 -12.971 692 1HB LYS 96 1HB LYS 96 1.589 1.947 -14.019 693 2HB LYS 96 2HB LYS 96 1.574 3.114 -15.335 694 1HG LYS 96 1HG LYS 96 3.798 2.839 -15.791 695 2HG LYS 96 2HG LYS 96 4.189 2.351 -14.142 696 1HD LYS 96 1HD LYS 96 4.148 0.233 -14.821 697 2HD LYS 96 2HD LYS 96 2.417 0.409 -15.118 698 1HE LYS 96 1HE LYS 96 4.568 1.106 -17.111 699 2HE LYS 96 2HE LYS 96 3.705 -0.431 -17.077 700 1HZ LYS 96 1HZ LYS 96 1.796 1.590 -17.039 701 2HZ LYS 96 2HZ LYS 96 2.910 2.002 -18.243 702 3HZ LYS 96 3HZ LYS 96 2.128 0.503 -18.292 703 H LYS 97 H LYS 97 0.081 4.952 -13.888 704 HA LYS 97 HA LYS 97 0.958 7.074 -15.664 705 1HB LYS 97 1HB LYS 97 -1.557 5.791 -15.020 706 2HB LYS 97 2HB LYS 97 -1.719 7.541 -14.963 707 1HG LYS 97 1HG LYS 97 -2.113 7.337 -17.156 708 2HG LYS 97 2HG LYS 97 -0.355 7.242 -17.278 709 1HD LYS 97 1HD LYS 97 -0.381 4.908 -17.473 710 2HD LYS 97 2HD LYS 97 -2.030 4.787 -16.854 711 1HE LYS 97 1HE LYS 97 -2.109 4.398 -19.206 712 2HE LYS 97 2HE LYS 97 -2.800 5.992 -18.903 713 1HZ LYS 97 1HZ LYS 97 -0.049 6.290 -19.327 714 2HZ LYS 97 2HZ LYS 97 -0.658 5.322 -20.574 715 3HZ LYS 97 3HZ LYS 97 -1.323 6.852 -20.287 716 H ILE 98 H ILE 98 -0.177 6.693 -12.357 717 HA ILE 98 HA ILE 98 -0.506 9.383 -11.707 718 HB ILE 98 HB ILE 98 0.271 7.083 -9.938 719 1HG1 ILE 98 1HG1 ILE 98 -2.374 8.532 -10.201 720 2HG1 ILE 98 2HG1 ILE 98 -1.986 7.063 -11.091 721 1HG2 ILE 98 1HG2 ILE 98 -0.565 9.880 -9.178 722 2HG2 ILE 98 2HG2 ILE 98 -0.390 8.529 -8.057 723 3HG2 ILE 98 3HG2 ILE 98 1.020 9.150 -8.914 724 1HD1 ILE 98 1HD1 ILE 98 -1.620 6.957 -8.168 725 2HD1 ILE 98 2HD1 ILE 98 -3.277 7.072 -8.757 726 3HD1 ILE 98 3HD1 ILE 98 -2.245 5.743 -9.283 727 H VAL 99 H VAL 99 2.305 7.282 -11.311 728 HA VAL 99 HA VAL 99 4.015 9.348 -10.365 729 HB VAL 99 HB VAL 99 4.205 6.776 -10.052 730 1HG1 VAL 99 1HG1 VAL 99 4.389 6.386 -12.537 731 2HG1 VAL 99 2HG1 VAL 99 6.007 7.082 -12.440 732 3HG1 VAL 99 3HG1 VAL 99 5.626 5.610 -11.546 733 1HG2 VAL 99 1HG2 VAL 99 6.329 8.834 -10.265 734 2HG2 VAL 99 2HG2 VAL 99 5.751 7.945 -8.857 735 3HG2 VAL 99 3HG2 VAL 99 6.821 7.159 -10.017 736 H SER 100 H SER 100 3.128 8.170 -13.518 737 HA SER 100 HA SER 100 5.383 9.427 -14.838 738 1HB SER 100 1HB SER 100 4.351 7.372 -15.773 739 2HB SER 100 2HB SER 100 2.848 8.260 -16.023 740 HG SER 100 HG SER 100 3.715 9.305 -17.671 741 H ASP 101 H ASP 101 2.548 10.431 -13.467 742 HA ASP 101 HA ASP 101 2.086 12.638 -15.330 743 1HB ASP 101 1HB ASP 101 0.275 11.134 -14.084 744 2HB ASP 101 2HB ASP 101 0.496 12.347 -12.827 745 H GLY 102 H GLY 102 4.036 12.038 -12.728 746 1HA GLY 102 1HA GLY 102 3.888 14.829 -11.780 747 2HA GLY 102 2HA GLY 102 5.420 14.121 -12.267 748 H ASN 103 H ASN 103 2.726 12.891 -10.287 749 HA ASN 103 HA ASN 103 3.963 13.157 -7.799 750 1HB ASN 103 1HB ASN 103 1.948 11.071 -8.656 751 2HB ASN 103 2HB ASN 103 2.315 11.529 -6.996 752 2HD2 ASN 103 2HD2 ASN 103 0.505 12.223 -9.784 753 1HD2 ASN 103 1HD2 ASN 103 -0.288 13.644 -9.204 754 H GLY 104 H GLY 104 6.083 12.473 -7.772 755 1HA GLY 104 1HA GLY 104 7.856 10.964 -8.140 756 2HA GLY 104 2HA GLY 104 6.684 9.717 -8.523 757 H MET 105 H MET 105 5.203 9.201 -6.539 758 HA MET 105 HA MET 105 5.203 7.931 -4.636 759 1HB MET 105 1HB MET 105 8.022 8.845 -4.061 760 2HB MET 105 2HB MET 105 7.181 7.461 -3.380 761 1HG MET 105 1HG MET 105 8.402 7.794 -6.080 762 2HG MET 105 2HG MET 105 8.605 6.492 -4.909 763 1HE MET 105 1HE MET 105 6.779 4.896 -4.239 764 2HE MET 105 2HE MET 105 5.307 5.866 -4.280 765 3HE MET 105 3HE MET 105 5.425 4.400 -5.254 766 H ASN 106 H ASN 106 5.285 11.072 -5.091 767 HA ASN 106 HA ASN 106 5.364 11.937 -2.322 768 1HB ASN 106 1HB ASN 106 5.431 13.209 -4.995 769 2HB ASN 106 2HB ASN 106 4.695 14.137 -3.705 770 2HD2 ASN 106 2HD2 ASN 106 6.002 15.311 -2.480 771 1HD2 ASN 106 1HD2 ASN 106 7.713 15.115 -2.353 772 H ALA 107 H ALA 107 3.064 11.279 -4.864 773 HA ALA 107 HA ALA 107 0.848 12.686 -3.866 774 1HB ALA 107 1HB ALA 107 1.313 10.581 -5.834 775 2HB ALA 107 2HB ALA 107 -0.269 10.490 -5.060 776 3HB ALA 107 3HB ALA 107 0.223 11.966 -5.890 777 H TRP 108 H TRP 108 2.141 9.514 -3.111 778 HA TRP 108 HA TRP 108 -0.065 8.861 -1.361 779 1HB TRP 108 1HB TRP 108 2.546 7.403 -1.817 780 2HB TRP 108 2HB TRP 108 1.126 6.763 -0.993 781 HD1 TRP 108 HD1 TRP 108 -0.980 6.084 -2.513 782 HE1 TRP 108 HE1 TRP 108 -1.192 5.561 -5.024 783 HE3 TRP 108 HE3 TRP 108 3.463 8.031 -4.126 784 HZ2 TRP 108 HZ2 TRP 108 0.321 5.928 -7.383 785 HZ3 TRP 108 HZ3 TRP 108 4.004 7.907 -6.523 786 HH2 TRP 108 HH2 TRP 108 2.466 6.877 -8.116 787 H VAL 109 H VAL 109 -0.206 9.412 0.677 788 HA VAL 109 HA VAL 109 1.822 10.903 1.994 789 HB VAL 109 HB VAL 109 -0.284 9.870 3.657 790 1HG1 VAL 109 1HG1 VAL 109 1.407 12.013 3.675 791 2HG1 VAL 109 2HG1 VAL 109 -0.129 12.738 3.197 792 3HG1 VAL 109 3HG1 VAL 109 -0.015 11.827 4.702 793 1HG2 VAL 109 1HG2 VAL 109 -0.910 11.142 1.056 794 2HG2 VAL 109 2HG2 VAL 109 -1.812 9.926 1.963 795 3HG2 VAL 109 3HG2 VAL 109 -1.866 11.618 2.459 796 H ALA 110 H ALA 110 0.989 7.537 2.033 797 HA ALA 110 HA ALA 110 2.097 6.938 4.581 798 1HB ALA 110 1HB ALA 110 2.235 4.760 2.656 799 2HB ALA 110 2HB ALA 110 1.349 4.872 4.177 800 3HB ALA 110 3HB ALA 110 0.651 5.536 2.699 801 H TRP 111 H TRP 111 3.429 7.521 1.481 802 HA TRP 111 HA TRP 111 5.977 6.290 2.138 803 1HB TRP 111 1HB TRP 111 5.214 6.157 -0.179 804 2HB TRP 111 2HB TRP 111 5.156 7.908 -0.285 805 HD1 TRP 111 HD1 TRP 111 7.524 4.984 -0.543 806 HE1 TRP 111 HE1 TRP 111 9.854 5.825 -1.243 807 HE3 TRP 111 HE3 TRP 111 6.769 10.016 -0.023 808 HZ2 TRP 111 HZ2 TRP 111 11.194 8.289 -1.538 809 HZ3 TRP 111 HZ3 TRP 111 8.626 11.545 -0.534 810 HH2 TRP 111 HH2 TRP 111 10.793 10.698 -1.275 811 H ARG 112 H ARG 112 4.526 9.516 1.951 812 HA ARG 112 HA ARG 112 7.062 10.754 2.685 813 1HB ARG 112 1HB ARG 112 4.548 11.615 1.482 814 2HB ARG 112 2HB ARG 112 5.139 12.715 2.718 815 1HG ARG 112 1HG ARG 112 7.319 12.789 1.527 816 2HG ARG 112 2HG ARG 112 6.594 11.825 0.240 817 1HD ARG 112 1HD ARG 112 6.576 14.214 -0.298 818 2HD ARG 112 2HD ARG 112 4.943 13.563 -0.160 819 HE ARG 112 HE ARG 112 5.413 14.535 2.313 820 1HH1 ARG 112 1HH1 ARG 112 5.732 15.905 -0.875 821 2HH1 ARG 112 2HH1 ARG 112 5.399 17.523 -0.353 822 1HH2 ARG 112 1HH2 ARG 112 4.973 16.661 3.009 823 2HH2 ARG 112 2HH2 ARG 112 4.968 17.953 1.854 824 H ASN 113 H ASN 113 6.174 9.048 4.611 825 HA ASN 113 HA ASN 113 5.784 10.859 6.830 826 1HB ASN 113 1HB ASN 113 3.483 9.932 5.812 827 2HB ASN 113 2HB ASN 113 3.872 8.585 6.878 828 2HD2 ASN 113 2HD2 ASN 113 2.648 8.782 8.608 829 1HD2 ASN 113 1HD2 ASN 113 2.432 10.222 9.539 830 H ARG 114 H ARG 114 5.459 7.382 6.167 831 HA ARG 114 HA ARG 114 7.253 6.844 8.422 832 1HB ARG 114 1HB ARG 114 5.057 5.363 7.087 833 2HB ARG 114 2HB ARG 114 6.374 4.412 7.749 834 1HG ARG 114 1HG ARG 114 5.005 4.461 9.561 835 2HG ARG 114 2HG ARG 114 5.929 5.934 9.866 836 1HD ARG 114 1HD ARG 114 4.133 7.202 8.669 837 2HD ARG 114 2HD ARG 114 3.194 5.710 8.622 838 HE ARG 114 HE ARG 114 3.782 7.334 10.973 839 1HH1 ARG 114 1HH1 ARG 114 2.360 4.455 9.619 840 2HH1 ARG 114 2HH1 ARG 114 1.382 4.128 11.010 841 1HH2 ARG 114 1HH2 ARG 114 2.499 6.911 12.810 842 2HH2 ARG 114 2HH2 ARG 114 1.461 5.524 12.824 843 H CYS 115 H CYS 115 7.479 7.248 5.171 844 HA CYS 115 HA CYS 115 9.601 5.224 4.918 845 1HB CYS 115 1HB CYS 115 7.601 5.117 3.347 846 2HB CYS 115 2HB CYS 115 8.228 6.590 2.615 847 H LYS 116 H LYS 116 8.767 8.568 4.004 848 HA LYS 116 HA LYS 116 11.174 9.289 2.849 849 1HB LYS 116 1HB LYS 116 8.936 10.596 3.102 850 2HB LYS 116 2HB LYS 116 9.659 11.214 4.581 851 1HG LYS 116 1HG LYS 116 11.501 12.154 3.341 852 2HG LYS 116 2HG LYS 116 10.895 11.439 1.845 853 1HD LYS 116 1HD LYS 116 8.835 12.789 2.081 854 2HD LYS 116 2HD LYS 116 9.531 13.553 3.511 855 1HE LYS 116 1HE LYS 116 11.432 13.711 1.407 856 2HE LYS 116 2HE LYS 116 9.876 14.249 0.778 857 1HZ LYS 116 1HZ LYS 116 10.920 15.265 3.348 858 2HZ LYS 116 2HZ LYS 116 11.377 15.969 1.879 859 3HZ LYS 116 3HZ LYS 116 9.750 15.950 2.337 860 H GLY 117 H GLY 117 13.000 8.556 3.869 861 1HA GLY 117 1HA GLY 117 13.480 9.608 6.586 862 2HA GLY 117 2HA GLY 117 14.692 9.728 5.321 863 H THR 118 H THR 118 13.394 6.849 4.645 864 HA THR 118 HA THR 118 15.134 5.420 6.545 865 HB THR 118 HB THR 118 13.698 3.445 6.208 866 HG1 THR 118 HG1 THR 118 12.592 3.581 4.383 867 1HG2 THR 118 1HG2 THR 118 12.783 5.960 7.415 868 2HG2 THR 118 2HG2 THR 118 11.501 4.792 7.098 869 3HG2 THR 118 3HG2 THR 118 12.876 4.339 8.104 870 H ASP 119 H ASP 119 14.687 2.934 4.952 871 HA ASP 119 HA ASP 119 16.213 3.564 2.541 872 1HB ASP 119 1HB ASP 119 17.548 2.727 4.611 873 2HB ASP 119 2HB ASP 119 16.961 1.179 4.049 874 H VAL 120 H VAL 120 14.822 3.005 0.989 875 HA VAL 120 HA VAL 120 13.037 0.786 1.209 876 HB VAL 120 HB VAL 120 12.472 1.291 -1.153 877 1HG1 VAL 120 1HG1 VAL 120 11.915 2.775 1.109 878 2HG1 VAL 120 2HG1 VAL 120 12.367 3.990 -0.087 879 3HG1 VAL 120 3HG1 VAL 120 11.060 2.857 -0.431 880 1HG2 VAL 120 1HG2 VAL 120 14.965 2.257 -1.402 881 2HG2 VAL 120 2HG2 VAL 120 13.641 2.707 -2.476 882 3HG2 VAL 120 3HG2 VAL 120 14.087 3.764 -1.137 883 H GLN 121 H GLN 121 16.179 1.379 -0.198 884 HA GLN 121 HA GLN 121 16.349 -0.829 -1.916 885 1HB GLN 121 1HB GLN 121 17.982 1.117 -1.710 886 2HB GLN 121 2HB GLN 121 18.648 0.290 -0.308 887 1HG GLN 121 1HG GLN 121 20.035 -0.277 -2.113 888 2HG GLN 121 2HG GLN 121 19.032 -1.696 -1.813 889 2HE2 GLN 121 2HE2 GLN 121 18.807 -2.622 -3.735 890 1HE2 GLN 121 1HE2 GLN 121 18.243 -1.837 -5.167 891 H ALA 122 H ALA 122 16.408 -0.533 1.500 892 HA ALA 122 HA ALA 122 17.498 -3.197 1.927 893 1HB ALA 122 1HB ALA 122 17.336 -0.815 3.469 894 2HB ALA 122 2HB ALA 122 16.474 -2.089 4.332 895 3HB ALA 122 3HB ALA 122 18.157 -2.326 3.861 896 H TRP 123 H TRP 123 14.466 -1.595 1.599 897 HA TRP 123 HA TRP 123 12.830 -3.339 3.104 898 1HB TRP 123 1HB TRP 123 12.385 -1.373 0.918 899 2HB TRP 123 2HB TRP 123 11.114 -2.556 1.207 900 HD1 TRP 123 HD1 TRP 123 11.454 0.788 1.937 901 HE1 TRP 123 HE1 TRP 123 10.541 1.478 4.243 902 HE3 TRP 123 HE3 TRP 123 11.290 -3.782 4.188 903 HZ2 TRP 123 HZ2 TRP 123 9.856 0.216 6.663 904 HZ3 TRP 123 HZ3 TRP 123 10.496 -3.964 6.490 905 HH2 TRP 123 HH2 TRP 123 9.786 -1.981 7.715 906 H ILE 124 H ILE 124 14.515 -3.790 0.177 907 HA ILE 124 HA ILE 124 13.029 -6.288 -0.311 908 HB ILE 124 HB ILE 124 13.727 -6.058 -2.715 909 1HG1 ILE 124 1HG1 ILE 124 13.980 -3.122 -2.333 910 2HG1 ILE 124 2HG1 ILE 124 15.372 -4.103 -1.890 911 1HG2 ILE 124 1HG2 ILE 124 11.470 -5.378 -1.591 912 2HG2 ILE 124 2HG2 ILE 124 11.982 -3.744 -2.013 913 3HG2 ILE 124 3HG2 ILE 124 11.786 -4.960 -3.275 914 1HD1 ILE 124 1HD1 ILE 124 14.433 -4.977 -4.423 915 2HD1 ILE 124 2HD1 ILE 124 14.587 -3.219 -4.450 916 3HD1 ILE 124 3HD1 ILE 124 15.972 -4.219 -4.010 917 H ARG 125 H ARG 125 15.672 -5.315 1.062 918 HA ARG 125 HA ARG 125 17.791 -6.583 -0.324 919 1HB ARG 125 1HB ARG 125 17.645 -4.909 1.813 920 2HB ARG 125 2HB ARG 125 17.997 -6.433 2.615 921 1HG ARG 125 1HG ARG 125 19.635 -5.592 0.269 922 2HG ARG 125 2HG ARG 125 19.932 -4.874 1.854 923 1HD ARG 125 1HD ARG 125 19.787 -7.847 1.460 924 2HD ARG 125 2HD ARG 125 21.284 -6.951 1.213 925 HE ARG 125 HE ARG 125 20.160 -6.325 3.733 926 1HH1 ARG 125 1HH1 ARG 125 21.869 -8.848 2.043 927 2HH1 ARG 125 2HH1 ARG 125 22.601 -9.489 3.475 928 1HH2 ARG 125 1HH2 ARG 125 21.120 -7.161 5.624 929 2HH2 ARG 125 2HH2 ARG 125 22.175 -8.531 5.511 930 H GLY 126 H GLY 126 17.522 -8.683 -0.863 931 1HA GLY 126 1HA GLY 126 17.105 -10.570 1.369 932 2HA GLY 126 2HA GLY 126 18.075 -10.914 -0.055 933 H CYS 127 H CYS 127 15.362 -9.243 -1.004 934 HA CYS 127 HA CYS 127 13.386 -11.225 -0.987 935 1HB CYS 127 1HB CYS 127 13.790 -8.669 -2.317 936 2HB CYS 127 2HB CYS 127 12.613 -9.736 -3.055 937 H ARG 128 H ARG 128 12.417 -11.476 -3.527 938 HA ARG 128 HA ARG 128 14.563 -12.893 -4.963 939 1HB ARG 128 1HB ARG 128 11.781 -13.801 -4.290 940 2HB ARG 128 2HB ARG 128 12.616 -14.449 -5.696 941 1HG ARG 128 1HG ARG 128 14.277 -15.454 -4.387 942 2HG ARG 128 2HG ARG 128 13.854 -14.498 -2.965 943 1HD ARG 128 1HD ARG 128 12.718 -16.325 -2.332 944 2HD ARG 128 2HD ARG 128 11.504 -15.768 -3.483 945 HE ARG 128 HE ARG 128 12.163 -17.439 -4.962 946 1HH1 ARG 128 1HH1 ARG 128 14.194 -17.394 -2.131 947 2HH1 ARG 128 2HH1 ARG 128 14.893 -18.945 -2.450 948 1HH2 ARG 128 1HH2 ARG 128 13.078 -19.483 -5.390 949 2HH2 ARG 128 2HH2 ARG 128 14.259 -20.133 -4.303 950 H LEU 129 H LEU 129 14.623 -10.741 -6.057 951 HA LEU 129 HA LEU 129 12.487 -10.465 -8.060 952 1HB LEU 129 1HB LEU 129 14.561 -8.445 -7.207 953 2HB LEU 129 2HB LEU 129 13.264 -8.168 -8.353 954 HG LEU 129 HG LEU 129 12.258 -9.107 -5.794 955 1HD1 LEU 129 1HD1 LEU 129 14.415 -7.772 -5.235 956 2HD1 LEU 129 2HD1 LEU 129 13.447 -6.369 -5.682 957 3HD1 LEU 129 3HD1 LEU 129 12.922 -7.420 -4.367 958 1HD2 LEU 129 1HD2 LEU 129 11.484 -7.468 -7.950 959 2HD2 LEU 129 2HD2 LEU 129 10.528 -7.941 -6.545 960 3HD2 LEU 129 3HD2 LEU 129 11.474 -6.453 -6.507 No H/Q in entry = 960 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -7.419 -8.798 1.533 2 H2 LYS 1 H2 LYS 1 -7.784 -8.903 -0.115 3 H3 LYS 1 H3 LYS 1 -8.272 -10.133 0.938 4 HA LYS 1 HA LYS 1 -6.115 -10.919 1.250 5 1HB LYS 1 1HB LYS 1 -6.176 -10.079 -1.647 6 2HB LYS 1 2HB LYS 1 -5.488 -11.544 -0.962 7 1HG LYS 1 1HG LYS 1 -7.416 -12.631 -1.134 8 2HG LYS 1 2HG LYS 1 -8.308 -11.317 -0.365 9 1HD LYS 1 1HD LYS 1 -8.708 -10.239 -2.392 10 2HD LYS 1 2HD LYS 1 -7.400 -11.095 -3.212 11 1HE LYS 1 1HE LYS 1 -9.658 -12.691 -2.121 12 2HE LYS 1 2HE LYS 1 -9.941 -11.742 -3.579 13 1HZ LYS 1 1HZ LYS 1 -7.527 -13.374 -3.520 14 2HZ LYS 1 2HZ LYS 1 -8.998 -14.202 -3.640 15 3HZ LYS 1 3HZ LYS 1 -8.581 -13.046 -4.802 16 H VAL 2 H VAL 2 -4.152 -10.350 1.918 17 HA VAL 2 HA VAL 2 -3.037 -7.792 0.971 18 HB VAL 2 HB VAL 2 -2.595 -9.208 3.603 19 1HG1 VAL 2 1HG1 VAL 2 -0.679 -7.797 2.350 20 2HG1 VAL 2 2HG1 VAL 2 -1.529 -6.489 3.171 21 3HG1 VAL 2 3HG1 VAL 2 -0.866 -7.831 4.103 22 1HG2 VAL 2 1HG2 VAL 2 -4.453 -7.198 2.727 23 2HG2 VAL 2 2HG2 VAL 2 -4.347 -8.024 4.283 24 3HG2 VAL 2 3HG2 VAL 2 -3.403 -6.562 3.993 25 H PHE 3 H PHE 3 -1.251 -7.911 -0.264 26 HA PHE 3 HA PHE 3 0.068 -10.381 -0.765 27 1HB PHE 3 1HB PHE 3 0.889 -7.537 -1.404 28 2HB PHE 3 2HB PHE 3 1.712 -8.968 -2.002 29 HD1 PHE 3 HD1 PHE 3 -1.297 -10.277 -2.211 30 HD2 PHE 3 HD2 PHE 3 0.774 -6.919 -3.799 31 HE1 PHE 3 HE1 PHE 3 -2.769 -10.299 -4.180 32 HE2 PHE 3 HE2 PHE 3 -0.690 -6.935 -5.764 33 HZ PHE 3 HZ PHE 3 -2.464 -8.625 -5.962 34 H GLY 4 H GLY 4 2.617 -10.273 -0.670 35 1HA GLY 4 1HA GLY 4 4.166 -10.851 1.035 36 2HA GLY 4 2HA GLY 4 3.284 -9.810 2.147 37 H ARG 5 H ARG 5 6.155 -9.841 1.541 38 HA ARG 5 HA ARG 5 6.407 -7.003 0.933 39 1HB ARG 5 1HB ARG 5 8.517 -8.954 1.874 40 2HB ARG 5 2HB ARG 5 8.682 -7.206 1.789 41 1HG ARG 5 1HG ARG 5 7.829 -6.980 3.816 42 2HG ARG 5 2HG ARG 5 6.381 -7.875 3.352 43 1HD ARG 5 1HD ARG 5 7.053 -9.453 4.775 44 2HD ARG 5 2HD ARG 5 8.311 -9.836 3.601 45 HE ARG 5 HE ARG 5 9.428 -7.847 5.034 46 1HH1 ARG 5 1HH1 ARG 5 7.849 -10.816 5.948 47 2HH1 ARG 5 2HH1 ARG 5 8.778 -11.015 7.396 48 1HH2 ARG 5 1HH2 ARG 5 10.657 -8.103 6.938 49 2HH2 ARG 5 2HH2 ARG 5 10.374 -9.472 7.959 50 H CYS 6 H CYS 6 8.075 -10.000 -0.081 51 HA CYS 6 HA CYS 6 9.101 -8.605 -2.393 52 1HB CYS 6 1HB CYS 6 9.359 -11.558 -1.971 53 2HB CYS 6 2HB CYS 6 10.434 -10.444 -2.807 54 H GLU 7 H GLU 7 6.661 -11.073 -1.706 55 HA GLU 7 HA GLU 7 6.089 -12.001 -4.225 56 1HB GLU 7 1HB GLU 7 4.764 -11.971 -1.744 57 2HB GLU 7 2HB GLU 7 3.617 -11.291 -2.890 58 1HG GLU 7 1HG GLU 7 3.077 -13.451 -3.184 59 2HG GLU 7 2HG GLU 7 4.438 -13.407 -4.304 60 H LEU 8 H LEU 8 4.823 -9.074 -2.701 61 HA LEU 8 HA LEU 8 3.489 -8.096 -4.988 62 1HB LEU 8 1HB LEU 8 2.996 -7.373 -2.676 63 2HB LEU 8 2HB LEU 8 4.555 -6.579 -2.604 64 HG LEU 8 HG LEU 8 2.340 -5.235 -3.110 65 1HD1 LEU 8 1HD1 LEU 8 5.049 -4.837 -4.332 66 2HD1 LEU 8 2HD1 LEU 8 3.760 -3.644 -4.488 67 3HD1 LEU 8 3HD1 LEU 8 4.366 -4.085 -2.891 68 1HD2 LEU 8 1HD2 LEU 8 2.056 -6.786 -5.201 69 2HD2 LEU 8 2HD2 LEU 8 1.661 -5.070 -5.297 70 3HD2 LEU 8 3HD2 LEU 8 3.197 -5.659 -5.935 71 H ALA 9 H ALA 9 6.764 -7.584 -3.681 72 HA ALA 9 HA ALA 9 7.516 -5.517 -5.435 73 1HB ALA 9 1HB ALA 9 9.080 -7.538 -3.889 74 2HB ALA 9 2HB ALA 9 8.945 -5.796 -3.642 75 3HB ALA 9 3HB ALA 9 9.880 -6.425 -4.999 76 H ALA 10 H ALA 10 8.072 -9.036 -5.735 77 HA ALA 10 HA ALA 10 9.383 -9.053 -8.159 78 1HB ALA 10 1HB ALA 10 8.661 -11.334 -8.407 79 2HB ALA 10 2HB ALA 10 7.326 -11.081 -7.282 80 3HB ALA 10 3HB ALA 10 8.990 -11.038 -6.700 81 H ALA 11 H ALA 11 5.943 -8.819 -7.430 82 HA ALA 11 HA ALA 11 5.022 -8.998 -10.078 83 1HB ALA 11 1HB ALA 11 3.679 -7.467 -7.876 84 2HB ALA 11 2HB ALA 11 3.613 -9.224 -8.009 85 3HB ALA 11 3HB ALA 11 2.923 -8.216 -9.282 86 H MET 12 H MET 12 6.110 -6.411 -8.119 87 HA MET 12 HA MET 12 5.415 -4.232 -9.766 88 1HB MET 12 1HB MET 12 7.932 -4.298 -8.129 89 2HB MET 12 2HB MET 12 6.925 -2.921 -8.500 90 1HG MET 12 1HG MET 12 6.054 -5.199 -6.762 91 2HG MET 12 2HG MET 12 6.764 -3.706 -6.159 92 1HE MET 12 1HE MET 12 5.897 -1.742 -8.071 93 2HE MET 12 2HE MET 12 4.195 -1.281 -8.051 94 3HE MET 12 3HE MET 12 5.173 -1.102 -6.596 95 H LYS 13 H LYS 13 8.437 -6.076 -9.527 96 HA LYS 13 HA LYS 13 9.937 -4.780 -11.445 97 1HB LYS 13 1HB LYS 13 10.338 -6.951 -9.879 98 2HB LYS 13 2HB LYS 13 10.148 -7.732 -11.443 99 1HG LYS 13 1HG LYS 13 11.908 -5.456 -11.629 100 2HG LYS 13 2HG LYS 13 12.459 -6.597 -10.400 101 1HD LYS 13 1HD LYS 13 13.044 -8.125 -11.931 102 2HD LYS 13 2HD LYS 13 11.562 -7.889 -12.858 103 1HE LYS 13 1HE LYS 13 13.199 -7.185 -14.337 104 2HE LYS 13 2HE LYS 13 12.666 -5.673 -13.605 105 1HZ LYS 13 1HZ LYS 13 14.560 -5.845 -12.064 106 2HZ LYS 13 2HZ LYS 13 15.095 -7.223 -12.889 107 3HZ LYS 13 3HZ LYS 13 15.047 -5.728 -13.680 108 H ARG 14 H ARG 14 7.736 -7.531 -11.886 109 HA ARG 14 HA ARG 14 8.041 -7.738 -14.671 110 1HB ARG 14 1HB ARG 14 6.230 -8.802 -12.626 111 2HB ARG 14 2HB ARG 14 5.461 -8.585 -14.192 112 1HG ARG 14 1HG ARG 14 7.514 -9.840 -15.122 113 2HG ARG 14 2HG ARG 14 7.759 -10.347 -13.449 114 1HD ARG 14 1HD ARG 14 5.104 -10.838 -13.778 115 2HD ARG 14 2HD ARG 14 5.721 -11.168 -15.397 116 HE ARG 14 HE ARG 14 7.426 -12.508 -13.753 117 1HH1 ARG 14 1HH1 ARG 14 3.968 -12.479 -14.176 118 2HH1 ARG 14 2HH1 ARG 14 3.767 -14.132 -13.701 119 1HH2 ARG 14 1HH2 ARG 14 7.172 -14.685 -13.127 120 2HH2 ARG 14 2HH2 ARG 14 5.588 -15.386 -13.104 121 H HIS 15 H HIS 15 5.878 -5.816 -12.640 122 HA HIS 15 HA HIS 15 4.327 -4.838 -14.811 123 1HB HIS 15 1HB HIS 15 4.536 -4.291 -11.891 124 2HB HIS 15 2HB HIS 15 3.744 -3.087 -12.903 125 HD1 HIS 15 HD1 HIS 15 2.353 -4.934 -10.705 126 HD2 HIS 15 HD2 HIS 15 2.248 -5.482 -14.822 127 HE1 HIS 15 HE1 HIS 15 0.284 -6.291 -11.150 128 HE2 HIS 15 HE2 HIS 15 0.290 -6.687 -13.637 129 H GLY 16 H GLY 16 7.506 -4.141 -13.995 130 1HA GLY 16 1HA GLY 16 7.503 -1.904 -15.731 131 2HA GLY 16 2HA GLY 16 8.883 -2.595 -14.909 132 H LEU 17 H LEU 17 7.468 -2.107 -12.182 133 HA LEU 17 HA LEU 17 7.511 0.800 -12.222 134 1HB LEU 17 1HB LEU 17 7.127 -0.837 -9.749 135 2HB LEU 17 2HB LEU 17 6.562 0.786 -10.084 136 HG LEU 17 HG LEU 17 5.336 -1.817 -10.714 137 1HD1 LEU 17 1HD1 LEU 17 4.705 0.518 -9.306 138 2HD1 LEU 17 2HD1 LEU 17 3.609 0.484 -10.687 139 3HD1 LEU 17 3HD1 LEU 17 3.669 -0.884 -9.576 140 1HD2 LEU 17 1HD2 LEU 17 5.485 0.402 -12.702 141 2HD2 LEU 17 2HD2 LEU 17 5.447 -1.342 -12.961 142 3HD2 LEU 17 3HD2 LEU 17 3.969 -0.482 -12.528 143 H ASP 18 H ASP 18 9.714 -1.558 -11.952 144 HA ASP 18 HA ASP 18 11.333 -0.522 -9.839 145 1HB ASP 18 1HB ASP 18 11.861 -2.723 -10.179 146 2HB ASP 18 2HB ASP 18 11.661 -2.624 -11.918 147 H ASN 19 H ASN 19 11.761 1.568 -10.100 148 HA ASN 19 HA ASN 19 12.835 3.447 -10.754 149 1HB ASN 19 1HB ASN 19 14.623 1.391 -11.303 150 2HB ASN 19 2HB ASN 19 14.562 2.300 -12.810 151 2HD2 ASN 19 2HD2 ASN 19 16.448 1.970 -10.356 152 1HD2 ASN 19 1HD2 ASN 19 16.955 3.595 -10.055 153 H TYR 20 H TYR 20 10.476 2.620 -12.064 154 HA TYR 20 HA TYR 20 10.655 3.161 -14.862 155 1HB TYR 20 1HB TYR 20 8.725 1.969 -13.832 156 2HB TYR 20 2HB TYR 20 8.282 3.447 -12.988 157 HD1 TYR 20 HD1 TYR 20 8.899 2.207 -16.461 158 HD2 TYR 20 HD2 TYR 20 6.684 4.818 -13.935 159 HE1 TYR 20 HE1 TYR 20 7.519 2.884 -18.380 160 HE2 TYR 20 HE2 TYR 20 5.297 5.501 -15.848 161 HH TYR 20 HH TYR 20 6.101 4.684 -19.086 162 H ARG 21 H ARG 21 9.485 5.197 -15.763 163 HA ARG 21 HA ARG 21 10.760 7.443 -15.563 164 1HB ARG 21 1HB ARG 21 8.119 6.847 -16.283 165 2HB ARG 21 2HB ARG 21 7.995 8.220 -15.192 166 1HG ARG 21 1HG ARG 21 9.344 9.569 -16.579 167 2HG ARG 21 2HG ARG 21 9.866 8.185 -17.541 168 1HD ARG 21 1HD ARG 21 7.227 7.991 -17.913 169 2HD ARG 21 2HD ARG 21 7.341 9.729 -17.635 170 HE ARG 21 HE ARG 21 8.327 8.258 -19.919 171 1HH1 ARG 21 1HH1 ARG 21 8.479 11.215 -18.083 172 2HH1 ARG 21 2HH1 ARG 21 9.092 12.155 -19.404 173 1HH2 ARG 21 1HH2 ARG 21 9.133 9.485 -21.662 174 2HH2 ARG 21 2HH2 ARG 21 9.463 11.171 -21.438 175 H GLY 22 H GLY 22 8.519 6.369 -13.093 176 1HA GLY 22 1HA GLY 22 8.038 7.188 -10.987 177 2HA GLY 22 2HA GLY 22 8.911 8.657 -11.397 178 H TYR 23 H TYR 23 9.010 5.684 -9.730 179 HA TYR 23 HA TYR 23 11.875 6.068 -9.196 180 1HB TYR 23 1HB TYR 23 9.625 5.853 -7.237 181 2HB TYR 23 2HB TYR 23 11.249 5.358 -6.776 182 HD1 TYR 23 HD1 TYR 23 9.515 8.243 -8.398 183 HD2 TYR 23 HD2 TYR 23 12.612 6.945 -5.790 184 HE1 TYR 23 HE1 TYR 23 10.068 10.585 -7.907 185 HE2 TYR 23 HE2 TYR 23 13.176 9.285 -5.288 186 HH TYR 23 HH TYR 23 11.777 11.575 -5.367 187 H SER 24 H SER 24 12.626 4.253 -7.590 188 HA SER 24 HA SER 24 12.451 1.826 -9.113 189 1HB SER 24 1HB SER 24 14.302 1.063 -7.790 190 2HB SER 24 2HB SER 24 14.599 2.748 -8.218 191 HG SER 24 HG SER 24 14.258 3.349 -6.178 192 H LEU 25 H LEU 25 12.379 -0.264 -7.981 193 HA LEU 25 HA LEU 25 9.967 -0.913 -6.988 194 1HB LEU 25 1HB LEU 25 12.625 -2.107 -6.983 195 2HB LEU 25 2HB LEU 25 11.618 -2.682 -5.668 196 HG LEU 25 HG LEU 25 10.443 -2.641 -8.390 197 1HD1 LEU 25 1HD1 LEU 25 12.748 -3.563 -8.645 198 2HD1 LEU 25 2HD1 LEU 25 12.313 -4.822 -7.489 199 3HD1 LEU 25 3HD1 LEU 25 11.458 -4.704 -9.027 200 1HD2 LEU 25 1HD2 LEU 25 10.217 -4.282 -5.893 201 2HD2 LEU 25 2HD2 LEU 25 8.966 -3.379 -6.747 202 3HD2 LEU 25 3HD2 LEU 25 9.595 -4.877 -7.432 203 H GLY 26 H GLY 26 12.819 -0.407 -4.882 204 1HA GLY 26 1HA GLY 26 12.948 0.487 -2.762 205 2HA GLY 26 2HA GLY 26 11.762 -0.760 -2.423 206 H ASN 27 H ASN 27 11.287 2.142 -4.392 207 HA ASN 27 HA ASN 27 9.982 3.621 -2.343 208 1HB ASN 27 1HB ASN 27 9.773 3.993 -5.334 209 2HB ASN 27 2HB ASN 27 9.366 5.182 -4.099 210 2HD2 ASN 27 2HD2 ASN 27 11.939 3.505 -5.730 211 1HD2 ASN 27 1HD2 ASN 27 13.215 4.548 -5.212 212 H TRP 28 H TRP 28 8.875 1.429 -4.840 213 HA TRP 28 HA TRP 28 6.094 1.974 -4.545 214 1HB TRP 28 1HB TRP 28 7.537 -0.400 -5.717 215 2HB TRP 28 2HB TRP 28 5.799 -0.118 -5.836 216 HD1 TRP 28 HD1 TRP 28 9.071 0.870 -7.362 217 HE1 TRP 28 HE1 TRP 28 8.676 2.549 -9.260 218 HE3 TRP 28 HE3 TRP 28 4.120 1.800 -6.575 219 HZ2 TRP 28 HZ2 TRP 28 6.524 4.056 -10.320 220 HZ3 TRP 28 HZ3 TRP 28 2.946 3.358 -8.069 221 HH2 TRP 28 HH2 TRP 28 4.129 4.468 -9.909 222 H VAL 29 H VAL 29 8.259 -0.539 -3.242 223 HA VAL 29 HA VAL 29 6.238 -1.963 -1.895 224 HB VAL 29 HB VAL 29 9.194 -1.802 -1.294 225 1HG1 VAL 29 1HG1 VAL 29 7.129 -3.025 0.167 226 2HG1 VAL 29 2HG1 VAL 29 7.998 -4.320 -0.657 227 3HG1 VAL 29 3HG1 VAL 29 8.869 -3.203 0.392 228 1HG2 VAL 29 1HG2 VAL 29 8.126 -2.642 -3.614 229 2HG2 VAL 29 2HG2 VAL 29 9.604 -3.311 -2.920 230 3HG2 VAL 29 3HG2 VAL 29 8.065 -4.141 -2.687 231 H CYS 30 H CYS 30 8.587 0.441 -0.789 232 HA CYS 30 HA CYS 30 7.844 0.524 1.886 233 1HB CYS 30 1HB CYS 30 9.834 1.615 0.680 234 2HB CYS 30 2HB CYS 30 8.733 2.945 0.335 235 H ALA 31 H ALA 31 6.687 2.514 -0.829 236 HA ALA 31 HA ALA 31 4.885 4.074 0.669 237 1HB ALA 31 1HB ALA 31 4.762 3.390 -2.264 238 2HB ALA 31 2HB ALA 31 3.941 4.731 -1.466 239 3HB ALA 31 3HB ALA 31 5.703 4.703 -1.556 240 H ALA 32 H ALA 32 4.381 1.111 -1.231 241 HA ALA 32 HA ALA 32 1.583 0.986 -0.795 242 1HB ALA 32 1HB ALA 32 2.556 -0.170 -2.659 243 2HB ALA 32 2HB ALA 32 1.798 -1.354 -1.593 244 3HB ALA 32 3HB ALA 32 3.551 -1.154 -1.586 245 H LYS 33 H LYS 33 4.278 -0.796 0.708 246 HA LYS 33 HA LYS 33 2.959 -2.430 2.428 247 1HB LYS 33 1HB LYS 33 5.270 -2.679 2.421 248 2HB LYS 33 2HB LYS 33 5.560 -0.961 2.645 249 1HG LYS 33 1HG LYS 33 6.182 -2.048 4.654 250 2HG LYS 33 2HG LYS 33 4.666 -1.203 4.973 251 1HD LYS 33 1HD LYS 33 3.434 -3.290 4.692 252 2HD LYS 33 2HD LYS 33 4.936 -4.141 4.330 253 1HE LYS 33 1HE LYS 33 5.701 -3.217 6.638 254 2HE LYS 33 2HE LYS 33 3.974 -3.012 6.927 255 1HZ LYS 33 1HZ LYS 33 4.685 -5.594 5.867 256 2HZ LYS 33 2HZ LYS 33 5.360 -5.276 7.385 257 3HZ LYS 33 3HZ LYS 33 3.684 -5.198 7.172 258 H PHE 34 H PHE 34 4.026 0.878 3.232 259 HA PHE 34 HA PHE 34 2.568 0.837 5.673 260 1HB PHE 34 1HB PHE 34 4.286 2.733 4.298 261 2HB PHE 34 2HB PHE 34 3.139 3.432 5.421 262 HD1 PHE 34 HD1 PHE 34 3.129 2.476 7.801 263 HD2 PHE 34 HD2 PHE 34 6.300 1.850 5.032 264 HE1 PHE 34 HE1 PHE 34 4.640 1.922 9.662 265 HE2 PHE 34 HE2 PHE 34 7.815 1.293 6.887 266 HZ PHE 34 HZ PHE 34 6.986 1.327 9.206 267 H GLU 35 H GLU 35 1.717 1.588 2.462 268 HA GLU 35 HA GLU 35 -0.287 3.508 2.961 269 1HB GLU 35 1HB GLU 35 0.807 2.066 0.744 270 2HB GLU 35 2HB GLU 35 -0.946 1.970 0.675 271 1HG GLU 35 1HG GLU 35 -1.189 4.273 0.476 272 2HG GLU 35 2HG GLU 35 0.431 4.592 1.096 273 H SER 36 H SER 36 -0.522 0.040 2.237 274 HA SER 36 HA SER 36 -3.107 -0.020 3.661 275 1HB SER 36 1HB SER 36 -3.788 -1.736 1.884 276 2HB SER 36 2HB SER 36 -3.678 -0.062 1.347 277 HG SER 36 HG SER 36 -1.297 -1.292 1.104 278 H ASN 37 H ASN 37 -0.145 -1.000 4.092 279 HA ASN 37 HA ASN 37 0.876 -2.777 5.113 280 1HB ASN 37 1HB ASN 37 -1.356 -2.445 6.526 281 2HB ASN 37 2HB ASN 37 -1.757 -4.009 5.822 282 2HD2 ASN 37 2HD2 ASN 37 -1.703 -4.956 7.876 283 1HD2 ASN 37 1HD2 ASN 37 -0.210 -5.307 8.671 284 H PHE 38 H PHE 38 -0.043 -2.823 2.370 285 HA PHE 38 HA PHE 38 0.150 -4.098 0.568 286 1HB PHE 38 1HB PHE 38 0.924 -6.138 2.626 287 2HB PHE 38 2HB PHE 38 0.711 -6.594 0.937 288 HD1 PHE 38 HD1 PHE 38 1.767 -4.449 -0.585 289 HD2 PHE 38 HD2 PHE 38 3.178 -6.018 3.110 290 HE1 PHE 38 HE1 PHE 38 4.019 -3.612 -1.101 291 HE2 PHE 38 HE2 PHE 38 5.435 -5.179 2.602 292 HZ PHE 38 HZ PHE 38 5.861 -3.984 0.493 293 H ASN 39 H ASN 39 -2.351 -3.692 2.109 294 HA ASN 39 HA ASN 39 -3.910 -6.047 1.411 295 1HB ASN 39 1HB ASN 39 -4.288 -4.733 3.546 296 2HB ASN 39 2HB ASN 39 -4.919 -3.433 2.541 297 2HD2 ASN 39 2HD2 ASN 39 -6.630 -4.229 4.293 298 1HD2 ASN 39 1HD2 ASN 39 -7.839 -5.276 3.639 299 H THR 40 H THR 40 -4.374 -6.239 -0.658 300 HA THR 40 HA THR 40 -4.500 -4.034 -2.458 301 HB THR 40 HB THR 40 -4.608 -5.592 -4.138 302 HG1 THR 40 HG1 THR 40 -5.763 -7.577 -3.921 303 1HG2 THR 40 1HG2 THR 40 -3.544 -6.987 -1.713 304 2HG2 THR 40 2HG2 THR 40 -3.580 -7.800 -3.279 305 3HG2 THR 40 3HG2 THR 40 -2.665 -6.306 -3.081 306 H GLN 41 H GLN 41 -6.660 -5.460 -0.329 307 HA GLN 41 HA GLN 41 -8.998 -4.438 -1.774 308 1HB GLN 41 1HB GLN 41 -8.494 -6.726 0.029 309 2HB GLN 41 2HB GLN 41 -10.045 -5.936 0.190 310 1HG GLN 41 1HG GLN 41 -9.079 -6.723 -2.512 311 2HG GLN 41 2HG GLN 41 -9.741 -7.949 -1.432 312 2HE2 GLN 41 2HE2 GLN 41 -11.428 -8.256 -2.954 313 1HE2 GLN 41 1HE2 GLN 41 -12.760 -7.159 -3.030 314 H ALA 42 H ALA 42 -6.920 -3.376 0.480 315 HA ALA 42 HA ALA 42 -8.627 -2.552 2.591 316 1HB ALA 42 1HB ALA 42 -5.829 -2.242 1.877 317 2HB ALA 42 2HB ALA 42 -6.588 -2.368 3.463 318 3HB ALA 42 3HB ALA 42 -6.503 -0.806 2.648 319 H THR 43 H THR 43 -9.648 -0.690 2.982 320 HA THR 43 HA THR 43 -9.681 1.355 0.858 321 HB THR 43 HB THR 43 -11.970 1.563 0.946 322 HG1 THR 43 HG1 THR 43 -12.910 0.363 3.057 323 1HG2 THR 43 1HG2 THR 43 -11.051 -1.043 0.783 324 2HG2 THR 43 2HG2 THR 43 -12.387 -1.142 1.929 325 3HG2 THR 43 3HG2 THR 43 -12.653 -0.473 0.319 326 H ASN 44 H ASN 44 -9.375 3.457 1.538 327 HA ASN 44 HA ASN 44 -9.404 3.935 4.444 328 1HB ASN 44 1HB ASN 44 -7.213 4.213 2.560 329 2HB ASN 44 2HB ASN 44 -7.554 5.733 3.380 330 2HD2 ASN 44 2HD2 ASN 44 -8.165 5.171 5.845 331 1HD2 ASN 44 1HD2 ASN 44 -6.930 4.267 6.646 332 H ARG 45 H ARG 45 -11.233 5.090 4.678 333 HA ARG 45 HA ARG 45 -12.068 7.053 2.752 334 1HB ARG 45 1HB ARG 45 -13.143 6.460 5.515 335 2HB ARG 45 2HB ARG 45 -13.926 7.467 4.305 336 1HG ARG 45 1HG ARG 45 -14.544 5.676 3.011 337 2HG ARG 45 2HG ARG 45 -13.239 4.653 3.616 338 1HD ARG 45 1HD ARG 45 -15.329 3.851 4.494 339 2HD ARG 45 2HD ARG 45 -14.390 4.560 5.808 340 HE ARG 45 HE ARG 45 -16.012 6.577 4.866 341 1HH1 ARG 45 1HH1 ARG 45 -16.455 3.409 6.248 342 2HH1 ARG 45 2HH1 ARG 45 -17.978 3.798 6.974 343 1HH2 ARG 45 1HH2 ARG 45 -18.017 7.098 5.819 344 2HH2 ARG 45 2HH2 ARG 45 -18.867 5.894 6.729 345 H ASN 46 H ASN 46 -11.559 9.134 2.694 346 HA ASN 46 HA ASN 46 -10.202 10.315 5.022 347 1HB ASN 46 1HB ASN 46 -10.128 11.484 2.256 348 2HB ASN 46 2HB ASN 46 -8.972 11.680 3.571 349 2HD2 ASN 46 2HD2 ASN 46 -9.044 10.569 0.661 350 1HD2 ASN 46 1HD2 ASN 46 -8.082 9.139 0.785 351 H THR 47 H THR 47 -10.440 12.848 4.912 352 HA THR 47 HA THR 47 -13.305 13.354 5.109 353 HB THR 47 HB THR 47 -12.609 15.487 6.209 354 HG1 THR 47 HG1 THR 47 -10.021 14.356 5.835 355 1HG2 THR 47 1HG2 THR 47 -11.673 12.839 7.281 356 2HG2 THR 47 2HG2 THR 47 -11.561 14.320 8.233 357 3HG2 THR 47 3HG2 THR 47 -13.134 13.737 7.689 358 H ASP 48 H ASP 48 -10.666 14.064 3.026 359 HA ASP 48 HA ASP 48 -11.530 16.524 1.958 360 1HB ASP 48 1HB ASP 48 -10.024 16.052 0.099 361 2HB ASP 48 2HB ASP 48 -9.257 15.623 1.624 362 H GLY 49 H GLY 49 -12.791 13.388 1.655 363 1HA GLY 49 1HA GLY 49 -14.583 14.328 -0.489 364 2HA GLY 49 2HA GLY 49 -14.990 13.105 0.705 365 H SER 50 H SER 50 -12.642 11.553 0.508 366 HA SER 50 HA SER 50 -13.284 10.074 -1.884 367 1HB SER 50 1HB SER 50 -10.644 10.007 -2.320 368 2HB SER 50 2HB SER 50 -11.695 11.201 -3.082 369 HG SER 50 HG SER 50 -9.797 12.089 -2.058 370 H THR 51 H THR 51 -11.583 8.164 -2.039 371 HA THR 51 HA THR 51 -10.859 7.210 0.630 372 HB THR 51 HB THR 51 -12.376 5.361 -1.182 373 HG1 THR 51 HG1 THR 51 -14.249 6.172 -0.542 374 1HG2 THR 51 1HG2 THR 51 -11.006 4.837 1.050 375 2HG2 THR 51 2HG2 THR 51 -12.545 5.295 1.779 376 3HG2 THR 51 3HG2 THR 51 -12.479 3.969 0.618 377 H ASP 52 H ASP 52 -9.590 5.166 0.532 378 HA ASP 52 HA ASP 52 -7.968 5.057 -1.928 379 1HB ASP 52 1HB ASP 52 -7.172 4.562 0.948 380 2HB ASP 52 2HB ASP 52 -6.129 4.242 -0.434 381 H TYR 53 H TYR 53 -9.219 3.481 -2.914 382 HA TYR 53 HA TYR 53 -9.535 0.936 -1.524 383 1HB TYR 53 1HB TYR 53 -10.539 1.743 -4.259 384 2HB TYR 53 2HB TYR 53 -10.973 0.289 -3.369 385 HD1 TYR 53 HD1 TYR 53 -12.075 0.712 -1.019 386 HD2 TYR 53 HD2 TYR 53 -11.944 3.571 -4.165 387 HE1 TYR 53 HE1 TYR 53 -14.004 1.875 -0.033 388 HE2 TYR 53 HE2 TYR 53 -13.875 4.740 -3.191 389 HH TYR 53 HH TYR 53 -15.708 3.394 -0.568 390 H GLY 54 H GLY 54 -7.130 0.505 -1.621 391 1HA GLY 54 1HA GLY 54 -5.937 0.132 -4.180 392 2HA GLY 54 2HA GLY 54 -6.518 -1.392 -3.529 393 H ILE 55 H ILE 55 -4.232 -1.996 -3.641 394 HA ILE 55 HA ILE 55 -2.973 -1.783 -1.097 395 HB ILE 55 HB ILE 55 -2.655 -3.720 -2.698 396 1HG1 ILE 55 1HG1 ILE 55 -0.025 -2.442 -1.951 397 2HG1 ILE 55 2HG1 ILE 55 -1.115 -3.129 -0.751 398 1HG2 ILE 55 1HG2 ILE 55 -2.380 -2.414 -4.743 399 2HG2 ILE 55 2HG2 ILE 55 -0.857 -1.767 -4.132 400 3HG2 ILE 55 3HG2 ILE 55 -1.007 -3.489 -4.484 401 1HD1 ILE 55 1HD1 ILE 55 -0.386 -4.846 -3.043 402 2HD1 ILE 55 2HD1 ILE 55 0.869 -4.505 -1.851 403 3HD1 ILE 55 3HD1 ILE 55 -0.644 -5.258 -1.347 404 H LEU 56 H LEU 56 -2.946 -0.007 -4.028 405 HA LEU 56 HA LEU 56 -0.733 1.689 -3.095 406 1HB LEU 56 1HB LEU 56 -1.335 0.610 -5.664 407 2HB LEU 56 2HB LEU 56 -1.557 2.346 -5.757 408 HG LEU 56 HG LEU 56 0.671 2.028 -6.412 409 1HD1 LEU 56 1HD1 LEU 56 0.153 3.484 -4.187 410 2HD1 LEU 56 2HD1 LEU 56 1.423 2.409 -3.600 411 3HD1 LEU 56 3HD1 LEU 56 1.712 3.431 -5.008 412 1HD2 LEU 56 1HD2 LEU 56 0.493 -0.281 -4.689 413 2HD2 LEU 56 2HD2 LEU 56 1.594 0.044 -6.027 414 3HD2 LEU 56 3HD2 LEU 56 1.987 0.613 -4.404 415 H GLN 57 H GLN 57 -3.886 1.459 -2.753 416 HA GLN 57 HA GLN 57 -5.506 2.888 -2.104 417 1HB GLN 57 1HB GLN 57 -3.451 5.055 -2.559 418 2HB GLN 57 2HB GLN 57 -4.986 5.253 -1.723 419 1HG GLN 57 1HG GLN 57 -4.139 3.426 -0.142 420 2HG GLN 57 2HG GLN 57 -2.555 3.741 -0.848 421 2HE2 GLN 57 2HE2 GLN 57 -4.158 4.314 1.796 422 1HE2 GLN 57 1HE2 GLN 57 -3.653 5.920 2.181 423 H ILE 58 H ILE 58 -6.466 2.136 -4.236 424 HA ILE 58 HA ILE 58 -6.304 4.045 -6.393 425 HB ILE 58 HB ILE 58 -8.260 1.767 -6.214 426 1HG1 ILE 58 1HG1 ILE 58 -6.150 0.742 -5.724 427 2HG1 ILE 58 2HG1 ILE 58 -6.507 0.413 -7.416 428 1HG2 ILE 58 1HG2 ILE 58 -7.016 3.344 -8.444 429 2HG2 ILE 58 2HG2 ILE 58 -7.807 1.792 -8.720 430 3HG2 ILE 58 3HG2 ILE 58 -8.724 3.144 -8.055 431 1HD1 ILE 58 1HD1 ILE 58 -4.635 2.537 -6.397 432 2HD1 ILE 58 2HD1 ILE 58 -4.166 0.982 -7.083 433 3HD1 ILE 58 3HD1 ILE 58 -4.978 2.181 -8.090 434 H ASN 59 H ASN 59 -7.188 5.956 -5.711 435 HA ASN 59 HA ASN 59 -9.605 6.132 -4.250 436 1HB ASN 59 1HB ASN 59 -7.891 7.924 -4.304 437 2HB ASN 59 2HB ASN 59 -8.271 8.217 -5.999 438 2HD2 ASN 59 2HD2 ASN 59 -10.923 7.339 -4.042 439 1HD2 ASN 59 1HD2 ASN 59 -11.597 8.916 -3.846 440 H SER 60 H SER 60 -11.295 5.070 -5.192 441 HA SER 60 HA SER 60 -11.831 5.073 -7.963 442 1HB SER 60 1HB SER 60 -13.762 3.857 -7.441 443 2HB SER 60 2HB SER 60 -12.669 3.464 -6.113 444 HG SER 60 HG SER 60 -14.887 5.209 -6.124 445 H ARG 61 H ARG 61 -12.318 7.488 -5.599 446 HA ARG 61 HA ARG 61 -14.501 8.733 -7.092 447 1HB ARG 61 1HB ARG 61 -14.322 8.546 -4.492 448 2HB ARG 61 2HB ARG 61 -13.235 9.919 -4.647 449 1HG ARG 61 1HG ARG 61 -14.911 11.347 -4.987 450 2HG ARG 61 2HG ARG 61 -15.724 10.263 -6.117 451 1HD ARG 61 1HD ARG 61 -17.047 10.745 -4.072 452 2HD ARG 61 2HD ARG 61 -16.715 9.031 -4.313 453 HE ARG 61 HE ARG 61 -14.733 10.174 -2.661 454 1HH1 ARG 61 1HH1 ARG 61 -18.080 9.206 -2.624 455 2HH1 ARG 61 2HH1 ARG 61 -18.103 8.888 -0.922 456 1HH2 ARG 61 1HH2 ARG 61 -14.755 9.758 -0.419 457 2HH2 ARG 61 2HH2 ARG 61 -16.214 9.204 0.331 458 H TRP 62 H TRP 62 -11.646 8.494 -7.973 459 HA TRP 62 HA TRP 62 -11.417 11.155 -9.030 460 1HB TRP 62 1HB TRP 62 -10.267 10.945 -6.620 461 2HB TRP 62 2HB TRP 62 -8.926 10.393 -7.618 462 HD1 TRP 62 HD1 TRP 62 -11.426 13.298 -8.264 463 HE1 TRP 62 HE1 TRP 62 -10.055 15.437 -8.675 464 HE3 TRP 62 HE3 TRP 62 -6.732 11.416 -7.505 465 HZ2 TRP 62 HZ2 TRP 62 -7.344 16.224 -8.678 466 HZ3 TRP 62 HZ3 TRP 62 -4.804 12.929 -7.733 467 HH2 TRP 62 HH2 TRP 62 -5.105 15.282 -8.306 468 H TRP 63 H TRP 63 -10.696 7.845 -9.183 469 HA TRP 63 HA TRP 63 -9.043 8.339 -11.562 470 1HB TRP 63 1HB TRP 63 -8.603 6.247 -9.427 471 2HB TRP 63 2HB TRP 63 -7.804 6.221 -10.996 472 HD1 TRP 63 HD1 TRP 63 -6.828 7.009 -7.711 473 HE1 TRP 63 HE1 TRP 63 -5.085 8.906 -7.602 474 HE3 TRP 63 HE3 TRP 63 -7.478 8.949 -12.366 475 HZ2 TRP 63 HZ2 TRP 63 -4.125 10.974 -9.293 476 HZ3 TRP 63 HZ3 TRP 63 -6.161 10.881 -13.055 477 HH2 TRP 63 HH2 TRP 63 -4.495 11.881 -11.553 478 H CYS 64 H CYS 64 -10.394 5.473 -10.009 479 HA CYS 64 HA CYS 64 -11.323 4.563 -12.615 480 1HB CYS 64 1HB CYS 64 -11.420 2.403 -11.734 481 2HB CYS 64 2HB CYS 64 -10.073 3.120 -10.859 482 H ASN 65 H ASN 65 -13.370 3.683 -12.991 483 HA ASN 65 HA ASN 65 -15.494 5.154 -11.598 484 1HB ASN 65 1HB ASN 65 -15.190 5.264 -14.140 485 2HB ASN 65 2HB ASN 65 -15.785 3.608 -14.172 486 2HD2 ASN 65 2HD2 ASN 65 -17.900 3.298 -14.258 487 1HD2 ASN 65 1HD2 ASN 65 -19.105 4.504 -13.978 488 H ASP 66 H ASP 66 -16.301 4.046 -9.949 489 HA ASP 66 HA ASP 66 -16.506 1.140 -10.090 490 1HB ASP 66 1HB ASP 66 -17.207 1.355 -7.685 491 2HB ASP 66 2HB ASP 66 -15.590 1.950 -8.044 492 H GLY 67 H GLY 67 -18.443 3.825 -10.715 493 1HA GLY 67 1HA GLY 67 -20.718 2.198 -11.270 494 2HA GLY 67 2HA GLY 67 -20.637 3.947 -11.401 495 H ARG 68 H ARG 68 -19.693 2.882 -8.336 496 HA ARG 68 HA ARG 68 -22.415 3.034 -7.270 497 1HB ARG 68 1HB ARG 68 -21.478 2.159 -5.196 498 2HB ARG 68 2HB ARG 68 -21.031 1.135 -6.552 499 1HG ARG 68 1HG ARG 68 -18.899 2.762 -6.496 500 2HG ARG 68 2HG ARG 68 -19.351 2.792 -4.790 501 1HD ARG 68 1HD ARG 68 -19.541 0.114 -5.556 502 2HD ARG 68 2HD ARG 68 -18.066 0.708 -6.318 503 HE ARG 68 HE ARG 68 -18.401 1.333 -3.502 504 1HH1 ARG 68 1HH1 ARG 68 -16.999 -0.765 -5.905 505 2HH1 ARG 68 2HH1 ARG 68 -15.779 -1.381 -4.841 506 1HH2 ARG 68 1HH2 ARG 68 -16.799 0.527 -2.094 507 2HH2 ARG 68 2HH2 ARG 68 -15.666 -0.648 -2.675 508 H THR 69 H THR 69 -20.096 5.150 -8.034 509 HA THR 69 HA THR 69 -21.034 7.082 -6.071 510 HB THR 69 HB THR 69 -18.083 7.051 -6.509 511 HG1 THR 69 HG1 THR 69 -19.500 5.343 -4.723 512 1HG2 THR 69 1HG2 THR 69 -19.975 7.953 -4.354 513 2HG2 THR 69 2HG2 THR 69 -18.238 7.830 -4.074 514 3HG2 THR 69 3HG2 THR 69 -18.857 8.922 -5.313 515 HA PRO 70 HA PRO 70 -20.880 9.155 -10.088 516 1HB PRO 70 1HB PRO 70 -22.528 11.190 -9.421 517 2HB PRO 70 2HB PRO 70 -23.129 9.575 -9.815 518 1HG PRO 70 1HG PRO 70 -22.689 10.830 -7.132 519 2HG PRO 70 2HG PRO 70 -24.056 9.853 -7.699 520 1HD PRO 70 1HD PRO 70 -22.050 8.840 -6.172 521 2HD PRO 70 2HD PRO 70 -22.941 7.870 -7.361 522 H GLY 71 H GLY 71 -19.447 9.875 -7.219 523 1HA GLY 71 1HA GLY 71 -18.323 11.786 -6.408 524 2HA GLY 71 2HA GLY 71 -18.693 12.614 -7.913 525 H SER 72 H SER 72 -17.678 9.730 -8.947 526 HA SER 72 HA SER 72 -14.893 9.760 -8.506 527 1HB SER 72 1HB SER 72 -16.339 8.556 -10.875 528 2HB SER 72 2HB SER 72 -14.770 8.078 -10.229 529 HG SER 72 HG SER 72 -16.946 8.026 -8.490 530 H ARG 73 H ARG 73 -14.478 9.389 -11.574 531 HA ARG 73 HA ARG 73 -14.751 11.911 -12.786 532 1HB ARG 73 1HB ARG 73 -12.635 11.777 -10.921 533 2HB ARG 73 2HB ARG 73 -11.891 11.686 -12.511 534 1HG ARG 73 1HG ARG 73 -13.954 13.770 -12.047 535 2HG ARG 73 2HG ARG 73 -12.359 13.991 -11.327 536 1HD ARG 73 1HD ARG 73 -11.323 13.741 -13.519 537 2HD ARG 73 2HD ARG 73 -12.905 13.474 -14.248 538 HE ARG 73 HE ARG 73 -13.118 15.895 -13.000 539 1HH1 ARG 73 1HH1 ARG 73 -10.989 14.532 -15.397 540 2HH1 ARG 73 2HH1 ARG 73 -10.693 16.048 -16.182 541 1HH2 ARG 73 1HH2 ARG 73 -12.734 17.894 -14.026 542 2HH2 ARG 73 2HH2 ARG 73 -11.684 17.959 -15.402 543 H ASN 74 H ASN 74 -12.899 8.952 -12.469 544 HA ASN 74 HA ASN 74 -12.287 7.335 -13.956 545 1HB ASN 74 1HB ASN 74 -14.663 8.060 -14.910 546 2HB ASN 74 2HB ASN 74 -13.687 8.694 -16.230 547 2HD2 ASN 74 2HD2 ASN 74 -13.099 5.832 -14.261 548 1HD2 ASN 74 1HD2 ASN 74 -13.210 4.696 -15.558 549 H LEU 75 H LEU 75 -10.800 9.793 -13.537 550 HA LEU 75 HA LEU 75 -9.632 10.919 -15.786 551 1HB LEU 75 1HB LEU 75 -8.954 10.395 -12.963 552 2HB LEU 75 2HB LEU 75 -7.610 10.771 -14.010 553 HG LEU 75 HG LEU 75 -10.061 12.479 -13.501 554 1HD1 LEU 75 1HD1 LEU 75 -8.170 12.220 -11.735 555 2HD1 LEU 75 2HD1 LEU 75 -7.255 13.261 -12.825 556 3HD1 LEU 75 3HD1 LEU 75 -8.776 13.826 -12.136 557 1HD2 LEU 75 1HD2 LEU 75 -8.084 12.549 -15.628 558 2HD2 LEU 75 2HD2 LEU 75 -9.602 13.431 -15.465 559 3HD2 LEU 75 3HD2 LEU 75 -8.134 14.058 -14.716 560 H CYS 76 H CYS 76 -8.859 8.186 -13.885 561 HA CYS 76 HA CYS 76 -6.616 7.311 -15.438 562 1HB CYS 76 1HB CYS 76 -7.425 7.108 -12.875 563 2HB CYS 76 2HB CYS 76 -7.910 5.537 -13.492 564 H ASN 77 H ASN 77 -10.005 6.630 -15.125 565 HA ASN 77 HA ASN 77 -11.460 5.258 -16.229 566 1HB ASN 77 1HB ASN 77 -10.202 6.630 -18.124 567 2HB ASN 77 2HB ASN 77 -9.579 5.038 -18.542 568 2HD2 ASN 77 2HD2 ASN 77 -11.671 3.405 -18.082 569 1HD2 ASN 77 1HD2 ASN 77 -12.993 3.807 -19.118 570 H ILE 78 H ILE 78 -10.156 3.881 -14.441 571 HA ILE 78 HA ILE 78 -9.249 1.453 -15.810 572 HB ILE 78 HB ILE 78 -7.578 1.143 -14.353 573 1HG1 ILE 78 1HG1 ILE 78 -9.643 1.833 -12.365 574 2HG1 ILE 78 2HG1 ILE 78 -8.416 0.575 -12.321 575 1HG2 ILE 78 1HG2 ILE 78 -7.503 3.537 -15.162 576 2HG2 ILE 78 2HG2 ILE 78 -8.055 3.993 -13.550 577 3HG2 ILE 78 3HG2 ILE 78 -6.519 3.152 -13.750 578 1HD1 ILE 78 1HD1 ILE 78 -6.751 2.302 -11.696 579 2HD1 ILE 78 2HD1 ILE 78 -8.065 3.476 -11.613 580 3HD1 ILE 78 3HD1 ILE 78 -8.045 2.095 -10.515 581 HA PRO 79 HA PRO 79 -12.574 -0.686 -13.800 582 1HB PRO 79 1HB PRO 79 -11.696 -3.222 -13.877 583 2HB PRO 79 2HB PRO 79 -12.121 -2.351 -15.355 584 1HG PRO 79 1HG PRO 79 -9.427 -2.916 -14.196 585 2HG PRO 79 2HG PRO 79 -9.947 -2.940 -15.889 586 1HD PRO 79 1HD PRO 79 -8.596 -0.852 -14.685 587 2HD PRO 79 2HD PRO 79 -9.591 -0.702 -16.145 588 H CYS 80 H CYS 80 -12.892 -0.350 -11.661 589 HA CYS 80 HA CYS 80 -10.884 -0.550 -9.708 590 1HB CYS 80 1HB CYS 80 -13.796 -0.763 -9.026 591 2HB CYS 80 2HB CYS 80 -12.512 0.084 -8.169 592 H SER 81 H SER 81 -13.773 -2.638 -10.077 593 HA SER 81 HA SER 81 -13.033 -4.551 -8.216 594 1HB SER 81 1HB SER 81 -14.701 -5.970 -9.190 595 2HB SER 81 2HB SER 81 -15.278 -4.309 -9.328 596 HG SER 81 HG SER 81 -15.260 -5.898 -11.255 597 H ALA 82 H ALA 82 -11.865 -4.135 -11.480 598 HA ALA 82 HA ALA 82 -10.834 -6.793 -11.756 599 1HB ALA 82 1HB ALA 82 -11.425 -5.244 -13.652 600 2HB ALA 82 2HB ALA 82 -9.867 -6.060 -13.788 601 3HB ALA 82 3HB ALA 82 -9.936 -4.369 -13.293 602 H LEU 83 H LEU 83 -9.859 -4.118 -9.994 603 HA LEU 83 HA LEU 83 -7.037 -4.932 -9.974 604 1HB LEU 83 1HB LEU 83 -6.462 -2.819 -9.322 605 2HB LEU 83 2HB LEU 83 -7.922 -2.464 -10.225 606 HG LEU 83 HG LEU 83 -8.940 -2.814 -7.726 607 1HD1 LEU 83 1HD1 LEU 83 -6.526 -3.033 -6.934 608 2HD1 LEU 83 2HD1 LEU 83 -6.386 -1.307 -7.266 609 3HD1 LEU 83 3HD1 LEU 83 -7.558 -1.885 -6.081 610 1HD2 LEU 83 1HD2 LEU 83 -8.986 -0.883 -9.532 611 2HD2 LEU 83 2HD2 LEU 83 -9.479 -0.601 -7.861 612 3HD2 LEU 83 3HD2 LEU 83 -7.866 -0.127 -8.397 613 H LEU 84 H LEU 84 -9.888 -5.386 -8.313 614 HA LEU 84 HA LEU 84 -8.491 -5.964 -5.791 615 1HB LEU 84 1HB LEU 84 -11.460 -5.793 -5.972 616 2HB LEU 84 2HB LEU 84 -10.401 -5.407 -4.628 617 HG LEU 84 HG LEU 84 -10.218 -3.712 -7.060 618 1HD1 LEU 84 1HD1 LEU 84 -12.629 -3.996 -5.405 619 2HD1 LEU 84 2HD1 LEU 84 -12.065 -2.343 -5.647 620 3HD1 LEU 84 3HD1 LEU 84 -12.435 -3.360 -7.039 621 1HD2 LEU 84 1HD2 LEU 84 -9.998 -3.241 -4.093 622 2HD2 LEU 84 2HD2 LEU 84 -8.691 -3.267 -5.278 623 3HD2 LEU 84 3HD2 LEU 84 -9.886 -1.969 -5.310 624 H SER 85 H SER 85 -8.294 -7.765 -7.884 625 HA SER 85 HA SER 85 -9.847 -10.018 -6.823 626 1HB SER 85 1HB SER 85 -10.189 -9.028 -9.370 627 2HB SER 85 2HB SER 85 -9.023 -10.327 -9.625 628 HG SER 85 HG SER 85 -11.048 -11.219 -9.758 629 H SER 86 H SER 86 -7.384 -9.108 -6.027 630 HA SER 86 HA SER 86 -5.403 -9.972 -5.282 631 1HB SER 86 1HB SER 86 -6.576 -12.214 -5.351 632 2HB SER 86 2HB SER 86 -5.967 -12.409 -6.994 633 HG SER 86 HG SER 86 -4.315 -11.938 -4.737 634 H ASP 87 H ASP 87 -6.090 -8.602 -7.829 635 HA ASP 87 HA ASP 87 -3.586 -9.069 -9.295 636 1HB ASP 87 1HB ASP 87 -5.791 -9.726 -10.368 637 2HB ASP 87 2HB ASP 87 -6.176 -8.012 -10.399 638 H ILE 88 H ILE 88 -2.216 -7.390 -9.028 639 HA ILE 88 HA ILE 88 -3.280 -4.783 -8.297 640 HB ILE 88 HB ILE 88 -0.668 -4.282 -8.408 641 1HG1 ILE 88 1HG1 ILE 88 -0.473 -7.067 -7.397 642 2HG1 ILE 88 2HG1 ILE 88 -0.542 -6.864 -9.145 643 1HG2 ILE 88 1HG2 ILE 88 -2.095 -5.722 -6.183 644 2HG2 ILE 88 2HG2 ILE 88 -0.569 -4.854 -6.008 645 3HG2 ILE 88 3HG2 ILE 88 -2.035 -3.981 -6.456 646 1HD1 ILE 88 1HD1 ILE 88 1.349 -5.106 -7.742 647 2HD1 ILE 88 2HD1 ILE 88 1.728 -6.828 -7.707 648 3HD1 ILE 88 3HD1 ILE 88 1.528 -6.000 -9.251 649 H THR 89 H THR 89 -2.600 -6.394 -11.128 650 HA THR 89 HA THR 89 -1.211 -4.728 -12.766 651 HB THR 89 HB THR 89 -3.805 -5.983 -13.654 652 HG1 THR 89 HG1 THR 89 -2.341 -7.413 -12.387 653 1HG2 THR 89 1HG2 THR 89 -2.510 -4.526 -15.236 654 2HG2 THR 89 2HG2 THR 89 -1.180 -5.678 -15.110 655 3HG2 THR 89 3HG2 THR 89 -2.729 -6.189 -15.782 656 H ALA 90 H ALA 90 -4.745 -4.519 -12.269 657 HA ALA 90 HA ALA 90 -5.098 -2.196 -13.729 658 1HB ALA 90 1HB ALA 90 -6.709 -3.708 -11.772 659 2HB ALA 90 2HB ALA 90 -7.198 -2.049 -12.115 660 3HB ALA 90 3HB ALA 90 -7.090 -3.226 -13.425 661 H SER 91 H SER 91 -4.561 -2.661 -10.252 662 HA SER 91 HA SER 91 -4.862 0.037 -9.490 663 1HB SER 91 1HB SER 91 -2.934 -1.254 -7.815 664 2HB SER 91 2HB SER 91 -4.619 -0.877 -7.459 665 HG SER 91 HG SER 91 -3.694 -3.226 -7.601 666 H VAL 92 H VAL 92 -2.152 -1.767 -10.726 667 HA VAL 92 HA VAL 92 -0.272 0.310 -10.174 668 HB VAL 92 HB VAL 92 -0.016 -2.086 -11.986 669 1HG1 VAL 92 1HG1 VAL 92 1.719 0.286 -11.607 670 2HG1 VAL 92 2HG1 VAL 92 2.526 -1.281 -11.640 671 3HG1 VAL 92 3HG1 VAL 92 1.537 -0.770 -13.007 672 1HG2 VAL 92 1HG2 VAL 92 -0.103 -2.404 -9.477 673 2HG2 VAL 92 2HG2 VAL 92 1.335 -3.029 -10.281 674 3HG2 VAL 92 3HG2 VAL 92 1.411 -1.505 -9.400 675 H ASN 93 H ASN 93 -1.812 -0.847 -13.185 676 HA ASN 93 HA ASN 93 -0.741 0.813 -14.973 677 1HB ASN 93 1HB ASN 93 -2.266 -0.180 -16.223 678 2HB ASN 93 2HB ASN 93 -3.076 -0.718 -14.775 679 2HD2 ASN 93 2HD2 ASN 93 -3.016 1.626 -17.309 680 1HD2 ASN 93 1HD2 ASN 93 -4.561 2.328 -16.985 681 H CYS 94 H CYS 94 -3.290 1.558 -12.696 682 HA CYS 94 HA CYS 94 -3.767 4.200 -13.549 683 1HB CYS 94 1HB CYS 94 -5.151 2.701 -11.944 684 2HB CYS 94 2HB CYS 94 -4.088 3.337 -10.691 685 H ALA 95 H ALA 95 -1.687 2.893 -10.954 686 HA ALA 95 HA ALA 95 -0.721 5.460 -10.198 687 1HB ALA 95 1HB ALA 95 -0.679 3.556 -8.680 688 2HB ALA 95 2HB ALA 95 0.569 2.807 -9.678 689 3HB ALA 95 3HB ALA 95 0.897 4.329 -8.850 690 H LYS 96 H LYS 96 0.493 2.981 -12.405 691 HA LYS 96 HA LYS 96 3.011 3.938 -12.939 692 1HB LYS 96 1HB LYS 96 1.913 1.888 -13.951 693 2HB LYS 96 2HB LYS 96 1.077 2.969 -15.058 694 1HG LYS 96 1HG LYS 96 3.819 3.621 -15.181 695 2HG LYS 96 2HG LYS 96 3.692 1.863 -15.261 696 1HD LYS 96 1HD LYS 96 1.823 3.474 -16.917 697 2HD LYS 96 2HD LYS 96 3.511 3.378 -17.427 698 1HE LYS 96 1HE LYS 96 2.955 0.774 -16.844 699 2HE LYS 96 2HE LYS 96 1.405 1.339 -17.466 700 1HZ LYS 96 1HZ LYS 96 3.354 2.330 -19.168 701 2HZ LYS 96 2HZ LYS 96 3.760 0.711 -18.890 702 3HZ LYS 96 3HZ LYS 96 2.230 1.109 -19.493 703 H LYS 97 H LYS 97 -0.126 4.949 -13.886 704 HA LYS 97 HA LYS 97 0.731 7.131 -15.591 705 1HB LYS 97 1HB LYS 97 -1.758 5.772 -15.028 706 2HB LYS 97 2HB LYS 97 -1.970 7.514 -14.911 707 1HG LYS 97 1HG LYS 97 -1.883 7.767 -17.117 708 2HG LYS 97 2HG LYS 97 -0.445 6.754 -17.257 709 1HD LYS 97 1HD LYS 97 -2.371 4.907 -16.695 710 2HD LYS 97 2HD LYS 97 -3.271 6.083 -17.655 711 1HE LYS 97 1HE LYS 97 -1.629 5.914 -19.439 712 2HE LYS 97 2HE LYS 97 -0.670 4.794 -18.473 713 1HZ LYS 97 1HZ LYS 97 -2.887 3.450 -18.457 714 2HZ LYS 97 2HZ LYS 97 -3.219 4.344 -19.855 715 3HZ LYS 97 3HZ LYS 97 -1.845 3.360 -19.787 716 H ILE 98 H ILE 98 -0.301 6.629 -12.289 717 HA ILE 98 HA ILE 98 -0.768 9.294 -11.578 718 HB ILE 98 HB ILE 98 0.097 6.963 -9.898 719 1HG1 ILE 98 1HG1 ILE 98 -2.553 8.423 -10.043 720 2HG1 ILE 98 2HG1 ILE 98 -2.194 6.962 -10.957 721 1HG2 ILE 98 1HG2 ILE 98 -0.691 9.734 -9.012 722 2HG2 ILE 98 2HG2 ILE 98 -0.515 8.341 -7.944 723 3HG2 ILE 98 3HG2 ILE 98 0.886 8.970 -8.811 724 1HD1 ILE 98 1HD1 ILE 98 -1.597 6.047 -8.549 725 2HD1 ILE 98 2HD1 ILE 98 -2.725 7.315 -8.067 726 3HD1 ILE 98 3HD1 ILE 98 -3.247 6.044 -9.173 727 H VAL 99 H VAL 99 2.119 7.297 -11.233 728 HA VAL 99 HA VAL 99 3.758 9.430 -10.296 729 HB VAL 99 HB VAL 99 4.097 6.918 -9.903 730 1HG1 VAL 99 1HG1 VAL 99 5.491 7.206 -12.561 731 2HG1 VAL 99 2HG1 VAL 99 5.651 5.830 -11.469 732 3HG1 VAL 99 3HG1 VAL 99 4.094 6.189 -12.215 733 1HG2 VAL 99 1HG2 VAL 99 6.222 8.939 -10.466 734 2HG2 VAL 99 2HG2 VAL 99 5.672 8.291 -8.922 735 3HG2 VAL 99 3HG2 VAL 99 6.668 7.302 -9.988 736 H SER 100 H SER 100 2.848 8.288 -13.437 737 HA SER 100 HA SER 100 5.073 9.626 -14.753 738 1HB SER 100 1HB SER 100 2.908 7.782 -15.576 739 2HB SER 100 2HB SER 100 3.402 8.967 -16.785 740 HG SER 100 HG SER 100 5.234 7.952 -17.020 741 H ASP 101 H ASP 101 2.154 10.486 -13.438 742 HA ASP 101 HA ASP 101 1.423 12.506 -15.379 743 1HB ASP 101 1HB ASP 101 0.213 11.303 -13.004 744 2HB ASP 101 2HB ASP 101 -0.039 13.044 -13.100 745 H GLY 102 H GLY 102 3.701 12.288 -12.963 746 1HA GLY 102 1HA GLY 102 3.626 15.202 -12.475 747 2HA GLY 102 2HA GLY 102 5.111 14.390 -12.942 748 H ASN 103 H ASN 103 3.386 12.333 -10.984 749 HA ASN 103 HA ASN 103 4.000 13.409 -8.422 750 1HB ASN 103 1HB ASN 103 3.107 10.718 -9.411 751 2HB ASN 103 2HB ASN 103 3.581 10.940 -7.728 752 2HD2 ASN 103 2HD2 ASN 103 2.614 13.274 -6.998 753 1HD2 ASN 103 1HD2 ASN 103 0.898 13.348 -7.178 754 H GLY 104 H GLY 104 5.097 10.766 -7.389 755 1HA GLY 104 1HA GLY 104 7.868 11.504 -7.689 756 2HA GLY 104 2HA GLY 104 7.454 9.955 -8.411 757 H MET 105 H MET 105 5.494 9.190 -6.493 758 HA MET 105 HA MET 105 5.461 7.802 -4.680 759 1HB MET 105 1HB MET 105 8.277 8.697 -4.042 760 2HB MET 105 2HB MET 105 7.433 7.294 -3.398 761 1HG MET 105 1HG MET 105 8.615 7.710 -6.106 762 2HG MET 105 2HG MET 105 8.862 6.387 -4.969 763 1HE MET 105 1HE MET 105 5.781 5.857 -4.146 764 2HE MET 105 2HE MET 105 5.392 4.530 -5.241 765 3HE MET 105 3HE MET 105 6.954 4.569 -4.423 766 H ASN 106 H ASN 106 5.545 10.957 -4.931 767 HA ASN 106 HA ASN 106 5.524 11.642 -2.106 768 1HB ASN 106 1HB ASN 106 5.729 13.091 -4.683 769 2HB ASN 106 2HB ASN 106 4.942 13.938 -3.366 770 2HD2 ASN 106 2HD2 ASN 106 6.249 15.160 -2.216 771 1HD2 ASN 106 1HD2 ASN 106 7.932 14.879 -1.944 772 H ALA 107 H ALA 107 3.366 11.164 -4.801 773 HA ALA 107 HA ALA 107 1.097 12.525 -3.947 774 1HB ALA 107 1HB ALA 107 1.670 10.978 -6.081 775 2HB ALA 107 2HB ALA 107 0.038 11.484 -5.647 776 3HB ALA 107 3HB ALA 107 0.620 9.888 -5.176 777 H TRP 108 H TRP 108 2.237 9.285 -3.144 778 HA TRP 108 HA TRP 108 -0.004 8.750 -1.416 779 1HB TRP 108 1HB TRP 108 2.576 7.210 -1.778 780 2HB TRP 108 2HB TRP 108 1.116 6.624 -0.980 781 HD1 TRP 108 HD1 TRP 108 -0.998 6.051 -2.559 782 HE1 TRP 108 HE1 TRP 108 -1.149 5.467 -5.060 783 HE3 TRP 108 HE3 TRP 108 3.617 7.668 -4.053 784 HZ2 TRP 108 HZ2 TRP 108 0.469 5.667 -7.370 785 HZ3 TRP 108 HZ3 TRP 108 4.237 7.437 -6.422 786 HH2 TRP 108 HH2 TRP 108 2.697 6.457 -8.043 787 H VAL 109 H VAL 109 -0.175 9.274 0.635 788 HA VAL 109 HA VAL 109 1.819 10.790 1.969 789 HB VAL 109 HB VAL 109 -0.285 9.722 3.615 790 1HG1 VAL 109 1HG1 VAL 109 1.340 12.003 3.472 791 2HG1 VAL 109 2HG1 VAL 109 -0.327 12.555 3.306 792 3HG1 VAL 109 3HG1 VAL 109 0.150 11.599 4.710 793 1HG2 VAL 109 1HG2 VAL 109 -1.414 9.796 1.405 794 2HG2 VAL 109 2HG2 VAL 109 -2.115 10.897 2.591 795 3HG2 VAL 109 3HG2 VAL 109 -1.051 11.520 1.330 796 H ALA 110 H ALA 110 1.041 7.410 2.011 797 HA ALA 110 HA ALA 110 2.137 6.833 4.567 798 1HB ALA 110 1HB ALA 110 1.782 5.026 2.176 799 2HB ALA 110 2HB ALA 110 2.137 4.497 3.821 800 3HB ALA 110 3HB ALA 110 0.605 5.294 3.462 801 H TRP 111 H TRP 111 3.503 7.464 1.491 802 HA TRP 111 HA TRP 111 6.059 6.267 2.168 803 1HB TRP 111 1HB TRP 111 5.323 6.146 -0.157 804 2HB TRP 111 2HB TRP 111 5.238 7.897 -0.245 805 HD1 TRP 111 HD1 TRP 111 7.635 5.015 -0.564 806 HE1 TRP 111 HE1 TRP 111 9.962 5.894 -1.225 807 HE3 TRP 111 HE3 TRP 111 6.844 10.023 0.118 808 HZ2 TRP 111 HZ2 TRP 111 11.286 8.375 -1.432 809 HZ3 TRP 111 HZ3 TRP 111 8.694 11.580 -0.334 810 HH2 TRP 111 HH2 TRP 111 10.869 10.771 -1.091 811 H ARG 112 H ARG 112 4.567 9.480 1.991 812 HA ARG 112 HA ARG 112 7.079 10.739 2.767 813 1HB ARG 112 1HB ARG 112 4.604 11.569 1.496 814 2HB ARG 112 2HB ARG 112 5.086 12.656 2.790 815 1HG ARG 112 1HG ARG 112 7.386 12.067 1.235 816 2HG ARG 112 2HG ARG 112 6.075 12.512 0.139 817 1HD ARG 112 1HD ARG 112 5.680 14.532 1.542 818 2HD ARG 112 2HD ARG 112 7.112 14.107 2.478 819 HE ARG 112 HE ARG 112 7.936 14.184 -0.145 820 1HH1 ARG 112 1HH1 ARG 112 6.486 16.410 2.110 821 2HH1 ARG 112 2HH1 ARG 112 7.218 17.809 1.397 822 1HH2 ARG 112 1HH2 ARG 112 8.904 16.020 -1.089 823 2HH2 ARG 112 2HH2 ARG 112 8.592 17.588 -0.421 824 H ASN 113 H ASN 113 6.175 9.010 4.677 825 HA ASN 113 HA ASN 113 5.714 10.822 6.889 826 1HB ASN 113 1HB ASN 113 3.438 10.010 5.950 827 2HB ASN 113 2HB ASN 113 3.856 8.468 6.690 828 2HD2 ASN 113 2HD2 ASN 113 1.627 9.761 7.497 829 1HD2 ASN 113 1HD2 ASN 113 1.841 10.391 9.092 830 H ARG 114 H ARG 114 5.488 7.333 6.267 831 HA ARG 114 HA ARG 114 7.309 6.874 8.518 832 1HB ARG 114 1HB ARG 114 5.129 5.327 7.232 833 2HB ARG 114 2HB ARG 114 6.472 4.414 7.895 834 1HG ARG 114 1HG ARG 114 4.941 4.491 9.639 835 2HG ARG 114 2HG ARG 114 6.085 5.775 10.036 836 1HD ARG 114 1HD ARG 114 3.880 6.673 8.351 837 2HD ARG 114 2HD ARG 114 3.349 6.032 9.906 838 HE ARG 114 HE ARG 114 4.985 8.402 9.456 839 1HH1 ARG 114 1HH1 ARG 114 3.536 6.174 11.707 840 2HH1 ARG 114 2HH1 ARG 114 3.688 7.242 13.062 841 1HH2 ARG 114 1HH2 ARG 114 5.191 9.815 11.233 842 2HH2 ARG 114 2HH2 ARG 114 4.629 9.312 12.792 843 H CYS 115 H CYS 115 7.555 7.277 5.290 844 HA CYS 115 HA CYS 115 9.680 5.254 5.041 845 1HB CYS 115 1HB CYS 115 7.715 5.078 3.468 846 2HB CYS 115 2HB CYS 115 8.249 6.597 2.755 847 H LYS 116 H LYS 116 8.827 8.580 4.070 848 HA LYS 116 HA LYS 116 11.242 9.302 2.935 849 1HB LYS 116 1HB LYS 116 9.114 10.642 2.949 850 2HB LYS 116 2HB LYS 116 9.495 11.123 4.596 851 1HG LYS 116 1HG LYS 116 11.055 12.600 3.943 852 2HG LYS 116 2HG LYS 116 11.640 11.567 2.638 853 1HD LYS 116 1HD LYS 116 9.172 12.223 1.719 854 2HD LYS 116 2HD LYS 116 9.600 13.685 2.610 855 1HE LYS 116 1HE LYS 116 11.871 12.861 1.116 856 2HE LYS 116 2HE LYS 116 10.477 12.851 0.038 857 1HZ LYS 116 1HZ LYS 116 10.387 15.176 1.604 858 2HZ LYS 116 2HZ LYS 116 11.938 15.050 0.939 859 3HZ LYS 116 3HZ LYS 116 10.582 15.045 -0.071 860 H GLY 117 H GLY 117 13.069 8.617 3.983 861 1HA GLY 117 1HA GLY 117 13.505 9.713 6.691 862 2HA GLY 117 2HA GLY 117 14.731 9.821 5.438 863 H THR 118 H THR 118 13.453 6.923 4.803 864 HA THR 118 HA THR 118 15.186 5.536 6.739 865 HB THR 118 HB THR 118 13.765 3.555 6.454 866 HG1 THR 118 HG1 THR 118 11.599 4.253 5.387 867 1HG2 THR 118 1HG2 THR 118 13.234 5.672 8.015 868 2HG2 THR 118 2HG2 THR 118 11.749 5.634 7.065 869 3HG2 THR 118 3HG2 THR 118 12.235 4.219 7.998 870 H ASP 119 H ASP 119 14.785 3.017 5.206 871 HA ASP 119 HA ASP 119 16.320 3.611 2.791 872 1HB ASP 119 1HB ASP 119 17.636 2.806 4.887 873 2HB ASP 119 2HB ASP 119 17.054 1.248 4.342 874 H VAL 120 H VAL 120 14.917 3.041 1.251 875 HA VAL 120 HA VAL 120 13.142 0.818 1.488 876 HB VAL 120 HB VAL 120 12.519 1.309 -0.832 877 1HG1 VAL 120 1HG1 VAL 120 12.235 3.014 1.386 878 2HG1 VAL 120 2HG1 VAL 120 12.507 4.050 -0.015 879 3HG1 VAL 120 3HG1 VAL 120 11.184 2.885 -0.022 880 1HG2 VAL 120 1HG2 VAL 120 15.113 2.429 -0.951 881 2HG2 VAL 120 2HG2 VAL 120 13.931 2.269 -2.251 882 3HG2 VAL 120 3HG2 VAL 120 13.962 3.728 -1.261 883 H GLN 121 H GLN 121 16.288 1.401 0.088 884 HA GLN 121 HA GLN 121 16.468 -0.821 -1.610 885 1HB GLN 121 1HB GLN 121 18.433 0.922 -0.193 886 2HB GLN 121 2HB GLN 121 19.016 -0.595 -0.864 887 1HG GLN 121 1HG GLN 121 18.267 0.049 -3.067 888 2HG GLN 121 2HG GLN 121 17.565 1.531 -2.422 889 2HE2 GLN 121 2HE2 GLN 121 18.745 3.131 -3.212 890 1HE2 GLN 121 1HE2 GLN 121 20.468 3.242 -3.147 891 H ALA 122 H ALA 122 16.507 -0.495 1.802 892 HA ALA 122 HA ALA 122 17.596 -3.153 2.261 893 1HB ALA 122 1HB ALA 122 18.138 -1.164 3.724 894 2HB ALA 122 2HB ALA 122 17.598 -2.614 4.568 895 3HB ALA 122 3HB ALA 122 16.485 -1.267 4.328 896 H TRP 123 H TRP 123 14.561 -1.551 1.913 897 HA TRP 123 HA TRP 123 12.922 -3.287 3.422 898 1HB TRP 123 1HB TRP 123 12.483 -1.340 1.216 899 2HB TRP 123 2HB TRP 123 11.212 -2.521 1.511 900 HD1 TRP 123 HD1 TRP 123 11.528 0.826 2.202 901 HE1 TRP 123 HE1 TRP 123 10.615 1.542 4.501 902 HE3 TRP 123 HE3 TRP 123 11.407 -3.713 4.519 903 HZ2 TRP 123 HZ2 TRP 123 9.947 0.309 6.939 904 HZ3 TRP 123 HZ3 TRP 123 10.622 -3.867 6.825 905 HH2 TRP 123 HH2 TRP 123 9.899 -1.874 8.023 906 H ILE 124 H ILE 124 14.622 -3.758 0.508 907 HA ILE 124 HA ILE 124 13.169 -6.281 0.054 908 HB ILE 124 HB ILE 124 13.841 -6.049 -2.369 909 1HG1 ILE 124 1HG1 ILE 124 13.849 -3.164 -2.358 910 2HG1 ILE 124 2HG1 ILE 124 15.176 -3.776 -1.374 911 1HG2 ILE 124 1HG2 ILE 124 11.589 -5.304 -1.072 912 2HG2 ILE 124 2HG2 ILE 124 12.010 -3.800 -1.892 913 3HG2 ILE 124 3HG2 ILE 124 11.778 -5.280 -2.825 914 1HD1 ILE 124 1HD1 ILE 124 14.852 -5.104 -3.965 915 2HD1 ILE 124 2HD1 ILE 124 15.288 -3.396 -4.044 916 3HD1 ILE 124 3HD1 ILE 124 16.307 -4.526 -3.152 917 H ARG 125 H ARG 125 15.800 -5.233 1.371 918 HA ARG 125 HA ARG 125 17.944 -6.426 -0.030 919 1HB ARG 125 1HB ARG 125 18.025 -4.703 1.877 920 2HB ARG 125 2HB ARG 125 17.859 -6.079 2.959 921 1HG ARG 125 1HG ARG 125 19.926 -6.642 1.084 922 2HG ARG 125 2HG ARG 125 20.205 -5.045 1.784 923 1HD ARG 125 1HD ARG 125 19.849 -7.656 3.246 924 2HD ARG 125 2HD ARG 125 21.307 -6.668 3.155 925 HE ARG 125 HE ARG 125 19.069 -6.293 4.911 926 1HH1 ARG 125 1HH1 ARG 125 21.714 -4.707 3.290 927 2HH1 ARG 125 2HH1 ARG 125 21.805 -3.408 4.432 928 1HH2 ARG 125 1HH2 ARG 125 19.181 -4.587 6.419 929 2HH2 ARG 125 2HH2 ARG 125 20.365 -3.340 6.211 930 H GLY 126 H GLY 126 17.396 -8.512 -0.651 931 1HA GLY 126 1HA GLY 126 17.162 -10.454 1.565 932 2HA GLY 126 2HA GLY 126 18.128 -10.755 0.129 933 H CYS 127 H CYS 127 15.409 -9.111 -0.811 934 HA CYS 127 HA CYS 127 13.430 -11.085 -0.798 935 1HB CYS 127 1HB CYS 127 13.865 -8.553 -2.166 936 2HB CYS 127 2HB CYS 127 12.691 -9.625 -2.901 937 H ARG 128 H ARG 128 12.454 -11.515 -3.235 938 HA ARG 128 HA ARG 128 14.616 -12.710 -4.823 939 1HB ARG 128 1HB ARG 128 12.896 -14.640 -5.202 940 2HB ARG 128 2HB ARG 128 13.904 -14.637 -3.762 941 1HG ARG 128 1HG ARG 128 11.406 -13.207 -3.375 942 2HG ARG 128 2HG ARG 128 11.167 -14.894 -3.836 943 1HD ARG 128 1HD ARG 128 12.812 -13.860 -1.530 944 2HD ARG 128 2HD ARG 128 11.275 -14.717 -1.430 945 HE ARG 128 HE ARG 128 12.838 -16.470 -2.746 946 1HH1 ARG 128 1HH1 ARG 128 13.290 -14.661 0.197 947 2HH1 ARG 128 2HH1 ARG 128 14.306 -15.858 0.929 948 1HH2 ARG 128 1HH2 ARG 128 14.175 -18.051 -1.791 949 2HH2 ARG 128 2HH2 ARG 128 14.809 -17.784 -0.201 950 H LEU 129 H LEU 129 14.268 -10.861 -6.189 951 HA LEU 129 HA LEU 129 11.974 -11.242 -7.985 952 1HB LEU 129 1HB LEU 129 12.005 -8.708 -8.274 953 2HB LEU 129 2HB LEU 129 11.298 -9.346 -6.802 954 HG LEU 129 HG LEU 129 13.903 -8.938 -6.047 955 1HD1 LEU 129 1HD1 LEU 129 13.691 -7.565 -8.435 956 2HD1 LEU 129 2HD1 LEU 129 13.434 -6.323 -7.209 957 3HD1 LEU 129 3HD1 LEU 129 14.901 -7.301 -7.179 958 1HD2 LEU 129 1HD2 LEU 129 11.509 -7.120 -5.841 959 2HD2 LEU 129 2HD2 LEU 129 12.016 -8.360 -4.695 960 3HD2 LEU 129 3HD2 LEU 129 12.995 -6.909 -4.915 No H/Q in entry = 960 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -7.227 -9.225 1.826 2 H2 LYS 1 H2 LYS 1 -7.531 -8.997 0.177 3 H3 LYS 1 H3 LYS 1 -8.070 -10.402 0.950 4 HA LYS 1 HA LYS 1 -5.842 -11.156 1.303 5 1HB LYS 1 1HB LYS 1 -7.158 -11.334 -0.961 6 2HB LYS 1 2HB LYS 1 -5.902 -10.255 -1.556 7 1HG LYS 1 1HG LYS 1 -4.688 -12.396 -0.109 8 2HG LYS 1 2HG LYS 1 -5.814 -13.054 -1.297 9 1HD LYS 1 1HD LYS 1 -4.739 -11.700 -3.044 10 2HD LYS 1 2HD LYS 1 -3.596 -11.084 -1.848 11 1HE LYS 1 1HE LYS 1 -2.410 -12.801 -2.863 12 2HE LYS 1 2HE LYS 1 -3.060 -13.572 -1.416 13 1HZ LYS 1 1HZ LYS 1 -4.506 -13.700 -3.988 14 2HZ LYS 1 2HZ LYS 1 -3.266 -14.796 -3.632 15 3HZ LYS 1 3HZ LYS 1 -4.639 -14.722 -2.646 16 H VAL 2 H VAL 2 -3.930 -10.488 2.003 17 HA VAL 2 HA VAL 2 -2.878 -7.921 1.012 18 HB VAL 2 HB VAL 2 -2.366 -9.318 3.641 19 1HG1 VAL 2 1HG1 VAL 2 -0.505 -7.854 2.336 20 2HG1 VAL 2 2HG1 VAL 2 -1.351 -6.586 3.221 21 3HG1 VAL 2 3HG1 VAL 2 -0.633 -7.940 4.093 22 1HG2 VAL 2 1HG2 VAL 2 -4.324 -7.436 2.811 23 2HG2 VAL 2 2HG2 VAL 2 -4.055 -8.109 4.419 24 3HG2 VAL 2 3HG2 VAL 2 -3.222 -6.634 3.930 25 H PHE 3 H PHE 3 -1.057 -7.964 -0.184 26 HA PHE 3 HA PHE 3 0.289 -10.413 -0.745 27 1HB PHE 3 1HB PHE 3 1.048 -7.544 -1.346 28 2HB PHE 3 2HB PHE 3 1.904 -8.948 -1.964 29 HD1 PHE 3 HD1 PHE 3 -0.981 -10.398 -2.258 30 HD2 PHE 3 HD2 PHE 3 0.826 -6.817 -3.666 31 HE1 PHE 3 HE1 PHE 3 -2.453 -10.431 -4.229 32 HE2 PHE 3 HE2 PHE 3 -0.637 -6.841 -5.632 33 HZ PHE 3 HZ PHE 3 -2.280 -8.648 -5.921 34 H GLY 4 H GLY 4 2.827 -10.294 -0.638 35 1HA GLY 4 1HA GLY 4 4.394 -10.842 1.055 36 2HA GLY 4 2HA GLY 4 3.492 -9.830 2.178 37 H ARG 5 H ARG 5 6.360 -9.784 1.580 38 HA ARG 5 HA ARG 5 6.542 -6.940 0.974 39 1HB ARG 5 1HB ARG 5 9.008 -7.368 1.639 40 2HB ARG 5 2HB ARG 5 7.777 -7.413 2.894 41 1HG ARG 5 1HG ARG 5 7.753 -9.977 2.333 42 2HG ARG 5 2HG ARG 5 9.370 -9.630 1.716 43 1HD ARG 5 1HD ARG 5 8.355 -9.065 4.500 44 2HD ARG 5 2HD ARG 5 9.471 -10.348 4.037 45 HE ARG 5 HE ARG 5 10.087 -7.567 4.426 46 1HH1 ARG 5 1HH1 ARG 5 11.058 -10.525 2.862 47 2HH1 ARG 5 2HH1 ARG 5 12.718 -10.056 2.719 48 1HH2 ARG 5 1HH2 ARG 5 12.272 -6.941 4.241 49 2HH2 ARG 5 2HH2 ARG 5 13.409 -8.018 3.503 50 H CYS 6 H CYS 6 8.263 -9.903 -0.040 51 HA CYS 6 HA CYS 6 9.249 -8.486 -2.361 52 1HB CYS 6 1HB CYS 6 9.600 -11.425 -1.870 53 2HB CYS 6 2HB CYS 6 10.613 -10.318 -2.790 54 H GLU 7 H GLU 7 6.880 -10.999 -1.625 55 HA GLU 7 HA GLU 7 6.310 -11.976 -4.130 56 1HB GLU 7 1HB GLU 7 4.429 -11.257 -1.877 57 2HB GLU 7 2HB GLU 7 3.890 -12.079 -3.334 58 1HG GLU 7 1HG GLU 7 6.159 -13.448 -2.293 59 2HG GLU 7 2HG GLU 7 4.990 -13.199 -0.997 60 H LEU 8 H LEU 8 4.996 -9.062 -2.623 61 HA LEU 8 HA LEU 8 3.605 -8.146 -4.903 62 1HB LEU 8 1HB LEU 8 3.098 -7.375 -2.630 63 2HB LEU 8 2HB LEU 8 4.670 -6.611 -2.529 64 HG LEU 8 HG LEU 8 2.504 -5.213 -3.058 65 1HD1 LEU 8 1HD1 LEU 8 4.785 -4.339 -2.867 66 2HD1 LEU 8 2HD1 LEU 8 5.083 -4.776 -4.549 67 3HD1 LEU 8 3HD1 LEU 8 3.874 -3.553 -4.157 68 1HD2 LEU 8 1HD2 LEU 8 2.200 -6.775 -5.152 69 2HD2 LEU 8 2HD2 LEU 8 1.810 -5.056 -5.235 70 3HD2 LEU 8 3HD2 LEU 8 3.340 -5.646 -5.883 71 H ALA 9 H ALA 9 6.886 -7.534 -3.645 72 HA ALA 9 HA ALA 9 7.581 -5.493 -5.440 73 1HB ALA 9 1HB ALA 9 9.134 -7.432 -3.813 74 2HB ALA 9 2HB ALA 9 9.106 -5.670 -3.758 75 3HB ALA 9 3HB ALA 9 9.970 -6.498 -5.053 76 H ALA 10 H ALA 10 8.150 -9.011 -5.716 77 HA ALA 10 HA ALA 10 9.420 -9.051 -8.161 78 1HB ALA 10 1HB ALA 10 8.907 -11.324 -8.278 79 2HB ALA 10 2HB ALA 10 7.360 -11.116 -7.456 80 3HB ALA 10 3HB ALA 10 8.866 -10.991 -6.547 81 H ALA 11 H ALA 11 5.988 -8.836 -7.379 82 HA ALA 11 HA ALA 11 5.027 -9.031 -10.010 83 1HB ALA 11 1HB ALA 11 3.766 -7.580 -7.700 84 2HB ALA 11 2HB ALA 11 3.587 -9.303 -8.033 85 3HB ALA 11 3HB ALA 11 2.947 -8.114 -9.169 86 H MET 12 H MET 12 6.129 -6.426 -8.083 87 HA MET 12 HA MET 12 5.403 -4.269 -9.753 88 1HB MET 12 1HB MET 12 7.912 -4.274 -8.106 89 2HB MET 12 2HB MET 12 6.867 -2.926 -8.479 90 1HG MET 12 1HG MET 12 5.976 -5.222 -6.784 91 2HG MET 12 2HG MET 12 6.772 -3.797 -6.123 92 1HE MET 12 1HE MET 12 6.039 -1.438 -7.011 93 2HE MET 12 2HE MET 12 5.173 -1.693 -8.524 94 3HE MET 12 3HE MET 12 4.349 -0.953 -7.153 95 H LYS 13 H LYS 13 8.432 -6.094 -9.483 96 HA LYS 13 HA LYS 13 9.951 -4.796 -11.383 97 1HB LYS 13 1HB LYS 13 10.574 -6.760 -9.825 98 2HB LYS 13 2HB LYS 13 9.986 -7.794 -11.119 99 1HG LYS 13 1HG LYS 13 11.645 -6.193 -12.510 100 2HG LYS 13 2HG LYS 13 12.449 -6.197 -10.940 101 1HD LYS 13 1HD LYS 13 12.159 -8.752 -11.034 102 2HD LYS 13 2HD LYS 13 11.845 -8.509 -12.754 103 1HE LYS 13 1HE LYS 13 14.066 -7.087 -12.591 104 2HE LYS 13 2HE LYS 13 14.356 -8.133 -11.201 105 1HZ LYS 13 1HZ LYS 13 13.479 -9.496 -13.600 106 2HZ LYS 13 2HZ LYS 13 15.000 -8.764 -13.718 107 3HZ LYS 13 3HZ LYS 13 14.704 -9.906 -12.505 108 H ARG 14 H ARG 14 7.761 -7.548 -11.854 109 HA ARG 14 HA ARG 14 8.077 -7.727 -14.640 110 1HB ARG 14 1HB ARG 14 6.273 -8.830 -12.611 111 2HB ARG 14 2HB ARG 14 5.505 -8.605 -14.177 112 1HG ARG 14 1HG ARG 14 7.212 -9.958 -15.240 113 2HG ARG 14 2HG ARG 14 8.050 -10.140 -13.699 114 1HD ARG 14 1HD ARG 14 6.460 -11.568 -12.848 115 2HD ARG 14 2HD ARG 14 5.185 -10.934 -13.887 116 HE ARG 14 HE ARG 14 5.952 -12.303 -15.631 117 1HH1 ARG 14 1HH1 ARG 14 7.837 -12.683 -12.726 118 2HH1 ARG 14 2HH1 ARG 14 8.560 -14.172 -13.236 119 1HH2 ARG 14 1HH2 ARG 14 6.899 -14.263 -16.311 120 2HH2 ARG 14 2HH2 ARG 14 8.028 -15.069 -15.274 121 H HIS 15 H HIS 15 5.931 -5.813 -12.592 122 HA HIS 15 HA HIS 15 4.347 -4.847 -14.746 123 1HB HIS 15 1HB HIS 15 4.587 -4.297 -11.829 124 2HB HIS 15 2HB HIS 15 3.790 -3.088 -12.831 125 HD1 HIS 15 HD1 HIS 15 2.409 -4.925 -10.624 126 HD2 HIS 15 HD2 HIS 15 2.271 -5.483 -14.738 127 HE1 HIS 15 HE1 HIS 15 0.331 -6.274 -11.049 128 HE2 HIS 15 HE2 HIS 15 0.223 -6.527 -13.553 129 H GLY 16 H GLY 16 7.537 -4.133 -13.974 130 1HA GLY 16 1HA GLY 16 7.494 -1.900 -15.718 131 2HA GLY 16 2HA GLY 16 8.890 -2.583 -14.915 132 H LEU 17 H LEU 17 7.508 -2.087 -12.168 133 HA LEU 17 HA LEU 17 7.551 0.819 -12.221 134 1HB LEU 17 1HB LEU 17 7.187 -0.811 -9.740 135 2HB LEU 17 2HB LEU 17 6.626 0.814 -10.072 136 HG LEU 17 HG LEU 17 5.386 -1.785 -10.700 137 1HD1 LEU 17 1HD1 LEU 17 4.769 0.343 -9.129 138 2HD1 LEU 17 2HD1 LEU 17 3.812 0.691 -10.569 139 3HD1 LEU 17 3HD1 LEU 17 3.599 -0.839 -9.716 140 1HD2 LEU 17 1HD2 LEU 17 5.579 0.412 -12.688 141 2HD2 LEU 17 2HD2 LEU 17 5.399 -1.324 -12.934 142 3HD2 LEU 17 3HD2 LEU 17 4.005 -0.350 -12.472 143 H ASP 18 H ASP 18 9.758 -1.531 -11.973 144 HA ASP 18 HA ASP 18 11.396 -0.501 -9.873 145 1HB ASP 18 1HB ASP 18 11.919 -2.703 -10.228 146 2HB ASP 18 2HB ASP 18 11.708 -2.592 -11.965 147 H ASN 19 H ASN 19 11.826 1.593 -10.132 148 HA ASN 19 HA ASN 19 12.898 3.471 -10.794 149 1HB ASN 19 1HB ASN 19 14.655 1.380 -11.436 150 2HB ASN 19 2HB ASN 19 14.612 2.400 -12.871 151 2HD2 ASN 19 2HD2 ASN 19 14.556 4.859 -12.147 152 1HD2 ASN 19 1HD2 ASN 19 15.833 5.287 -11.065 153 H TYR 20 H TYR 20 10.523 2.639 -12.079 154 HA TYR 20 HA TYR 20 10.669 3.189 -14.878 155 1HB TYR 20 1HB TYR 20 8.760 1.981 -13.817 156 2HB TYR 20 2HB TYR 20 8.309 3.466 -12.988 157 HD1 TYR 20 HD1 TYR 20 8.950 2.225 -16.458 158 HD2 TYR 20 HD2 TYR 20 6.664 4.775 -13.934 159 HE1 TYR 20 HE1 TYR 20 7.555 2.867 -18.379 160 HE2 TYR 20 HE2 TYR 20 5.262 5.423 -15.847 161 HH TYR 20 HH TYR 20 5.515 5.501 -18.373 162 H ARG 21 H ARG 21 9.467 5.214 -15.759 163 HA ARG 21 HA ARG 21 10.729 7.469 -15.578 164 1HB ARG 21 1HB ARG 21 7.716 7.337 -15.379 165 2HB ARG 21 2HB ARG 21 8.622 8.774 -15.829 166 1HG ARG 21 1HG ARG 21 9.537 6.759 -17.533 167 2HG ARG 21 2HG ARG 21 7.785 6.559 -17.452 168 1HD ARG 21 1HD ARG 21 7.647 8.194 -18.959 169 2HD ARG 21 2HD ARG 21 8.133 9.295 -17.670 170 HE ARG 21 HE ARG 21 10.217 9.462 -18.628 171 1HH1 ARG 21 1HH1 ARG 21 8.450 6.853 -20.114 172 2HH1 ARG 21 2HH1 ARG 21 9.599 6.631 -21.392 173 1HH2 ARG 21 1HH2 ARG 21 11.733 9.178 -20.306 174 2HH2 ARG 21 2HH2 ARG 21 11.465 7.953 -21.500 175 H GLY 22 H GLY 22 8.541 6.371 -13.072 176 1HA GLY 22 1HA GLY 22 8.074 7.201 -10.965 177 2HA GLY 22 2HA GLY 22 8.935 8.673 -11.390 178 H TYR 23 H TYR 23 9.077 5.693 -9.729 179 HA TYR 23 HA TYR 23 11.946 6.092 -9.233 180 1HB TYR 23 1HB TYR 23 9.725 5.884 -7.242 181 2HB TYR 23 2HB TYR 23 11.355 5.386 -6.802 182 HD1 TYR 23 HD1 TYR 23 9.580 8.272 -8.379 183 HD2 TYR 23 HD2 TYR 23 12.755 6.974 -5.864 184 HE1 TYR 23 HE1 TYR 23 10.145 10.613 -7.899 185 HE2 TYR 23 HE2 TYR 23 13.329 9.314 -5.376 186 HH TYR 23 HH TYR 23 12.429 11.836 -7.130 187 H SER 24 H SER 24 12.718 4.281 -7.627 188 HA SER 24 HA SER 24 12.538 1.852 -9.146 189 1HB SER 24 1HB SER 24 14.360 1.072 -7.738 190 2HB SER 24 2HB SER 24 14.698 2.707 -8.303 191 HG SER 24 HG SER 24 13.374 2.406 -5.863 192 H LEU 25 H LEU 25 12.449 -0.237 -8.027 193 HA LEU 25 HA LEU 25 10.035 -0.875 -7.028 194 1HB LEU 25 1HB LEU 25 12.685 -2.092 -7.034 195 2HB LEU 25 2HB LEU 25 11.670 -2.667 -5.725 196 HG LEU 25 HG LEU 25 10.509 -2.596 -8.456 197 1HD1 LEU 25 1HD1 LEU 25 12.821 -3.560 -8.656 198 2HD1 LEU 25 2HD1 LEU 25 12.305 -4.835 -7.552 199 3HD1 LEU 25 3HD1 LEU 25 11.508 -4.645 -9.114 200 1HD2 LEU 25 1HD2 LEU 25 9.193 -3.246 -6.475 201 2HD2 LEU 25 2HD2 LEU 25 9.341 -4.557 -7.647 202 3HD2 LEU 25 3HD2 LEU 25 10.323 -4.568 -6.182 203 H GLY 26 H GLY 26 12.899 -0.376 -4.938 204 1HA GLY 26 1HA GLY 26 13.039 0.506 -2.813 205 2HA GLY 26 2HA GLY 26 11.859 -0.747 -2.474 206 H ASN 27 H ASN 27 11.366 2.167 -4.423 207 HA ASN 27 HA ASN 27 10.071 3.634 -2.361 208 1HB ASN 27 1HB ASN 27 9.866 4.003 -5.353 209 2HB ASN 27 2HB ASN 27 9.414 5.185 -4.128 210 2HD2 ASN 27 2HD2 ASN 27 12.044 3.568 -5.725 211 1HD2 ASN 27 1HD2 ASN 27 13.291 4.639 -5.191 212 H TRP 28 H TRP 28 8.952 1.445 -4.853 213 HA TRP 28 HA TRP 28 6.171 1.984 -4.530 214 1HB TRP 28 1HB TRP 28 7.605 -0.381 -5.734 215 2HB TRP 28 2HB TRP 28 5.868 -0.091 -5.843 216 HD1 TRP 28 HD1 TRP 28 9.143 0.915 -7.364 217 HE1 TRP 28 HE1 TRP 28 8.739 2.594 -9.260 218 HE3 TRP 28 HE3 TRP 28 4.185 1.811 -6.580 219 HZ2 TRP 28 HZ2 TRP 28 6.579 4.091 -10.317 220 HZ3 TRP 28 HZ3 TRP 28 3.003 3.365 -8.071 221 HH2 TRP 28 HH2 TRP 28 4.180 4.488 -9.908 222 H VAL 29 H VAL 29 8.354 -0.535 -3.275 223 HA VAL 29 HA VAL 29 6.353 -1.988 -1.935 224 HB VAL 29 HB VAL 29 9.314 -1.815 -1.361 225 1HG1 VAL 29 1HG1 VAL 29 7.229 -3.114 0.071 226 2HG1 VAL 29 2HG1 VAL 29 8.237 -4.344 -0.692 227 3HG1 VAL 29 3HG1 VAL 29 8.966 -3.145 0.376 228 1HG2 VAL 29 1HG2 VAL 29 8.688 -2.518 -3.673 229 2HG2 VAL 29 2HG2 VAL 29 9.573 -3.738 -2.758 230 3HG2 VAL 29 3HG2 VAL 29 7.828 -3.887 -2.968 231 H CYS 30 H CYS 30 8.686 0.420 -0.805 232 HA CYS 30 HA CYS 30 7.935 0.450 1.873 233 1HB CYS 30 1HB CYS 30 9.949 1.535 0.765 234 2HB CYS 30 2HB CYS 30 8.877 2.858 0.323 235 H ALA 31 H ALA 31 6.788 2.485 -0.816 236 HA ALA 31 HA ALA 31 4.997 4.036 0.702 237 1HB ALA 31 1HB ALA 31 5.247 3.435 -2.219 238 2HB ALA 31 2HB ALA 31 3.904 4.396 -1.602 239 3HB ALA 31 3HB ALA 31 5.563 4.941 -1.359 240 H ALA 32 H ALA 32 4.472 1.098 -1.230 241 HA ALA 32 HA ALA 32 1.676 0.979 -0.772 242 1HB ALA 32 1HB ALA 32 2.277 -0.233 -2.621 243 2HB ALA 32 2HB ALA 32 2.126 -1.519 -1.425 244 3HB ALA 32 3HB ALA 32 3.720 -0.896 -1.854 245 H LYS 33 H LYS 33 4.406 -0.754 0.717 246 HA LYS 33 HA LYS 33 3.115 -2.453 2.402 247 1HB LYS 33 1HB LYS 33 5.537 -2.406 2.177 248 2HB LYS 33 2HB LYS 33 5.603 -0.841 2.974 249 1HG LYS 33 1HG LYS 33 5.022 -1.753 5.058 250 2HG LYS 33 2HG LYS 33 4.487 -3.271 4.334 251 1HD LYS 33 1HD LYS 33 6.871 -3.616 3.584 252 2HD LYS 33 2HD LYS 33 7.305 -2.239 4.600 253 1HE LYS 33 1HE LYS 33 7.417 -3.591 6.357 254 2HE LYS 33 2HE LYS 33 5.704 -3.961 6.165 255 1HZ LYS 33 1HZ LYS 33 6.337 -5.720 4.593 256 2HZ LYS 33 2HZ LYS 33 7.969 -5.401 4.895 257 3HZ LYS 33 3HZ LYS 33 6.977 -5.979 6.137 258 H PHE 34 H PHE 34 4.120 0.859 3.270 259 HA PHE 34 HA PHE 34 2.652 0.743 5.703 260 1HB PHE 34 1HB PHE 34 4.357 2.689 4.383 261 2HB PHE 34 2HB PHE 34 3.193 3.348 5.514 262 HD1 PHE 34 HD1 PHE 34 3.298 2.711 7.887 263 HD2 PHE 34 HD2 PHE 34 6.252 1.441 5.098 264 HE1 PHE 34 HE1 PHE 34 4.800 2.133 9.748 265 HE2 PHE 34 HE2 PHE 34 7.759 0.860 6.955 266 HZ PHE 34 HZ PHE 34 7.033 1.205 9.283 267 H GLU 35 H GLU 35 1.821 1.566 2.503 268 HA GLU 35 HA GLU 35 -0.202 3.454 3.009 269 1HB GLU 35 1HB GLU 35 0.884 1.987 0.788 270 2HB GLU 35 2HB GLU 35 -0.871 1.953 0.716 271 1HG GLU 35 1HG GLU 35 -1.028 4.276 0.558 272 2HG GLU 35 2HG GLU 35 0.623 4.515 1.131 273 H SER 36 H SER 36 -0.429 -0.011 2.258 274 HA SER 36 HA SER 36 -3.014 -0.085 3.684 275 1HB SER 36 1HB SER 36 -3.664 -1.819 1.900 276 2HB SER 36 2HB SER 36 -3.596 -0.137 1.379 277 HG SER 36 HG SER 36 -2.141 -2.259 0.541 278 H ASN 37 H ASN 37 -0.041 -1.054 4.090 279 HA ASN 37 HA ASN 37 0.993 -2.818 5.125 280 1HB ASN 37 1HB ASN 37 -1.835 -3.030 6.013 281 2HB ASN 37 2HB ASN 37 -0.844 -4.469 6.226 282 2HD2 ASN 37 2HD2 ASN 37 -1.884 -1.750 7.696 283 1HD2 ASN 37 1HD2 ASN 37 -0.623 -1.537 8.858 284 H PHE 38 H PHE 38 0.070 -2.884 2.384 285 HA PHE 38 HA PHE 38 0.261 -4.167 0.588 286 1HB PHE 38 1HB PHE 38 1.061 -6.193 2.653 287 2HB PHE 38 2HB PHE 38 0.861 -6.649 0.963 288 HD1 PHE 38 HD1 PHE 38 1.912 -4.531 -0.573 289 HD2 PHE 38 HD2 PHE 38 3.299 -6.003 3.170 290 HE1 PHE 38 HE1 PHE 38 4.157 -3.670 -1.076 291 HE2 PHE 38 HE2 PHE 38 5.548 -5.140 2.676 292 HZ PHE 38 HZ PHE 38 5.983 -3.979 0.548 293 H ASN 39 H ASN 39 -2.239 -3.794 2.159 294 HA ASN 39 HA ASN 39 -3.761 -6.178 1.485 295 1HB ASN 39 1HB ASN 39 -4.162 -4.865 3.606 296 2HB ASN 39 2HB ASN 39 -4.797 -3.569 2.601 297 2HD2 ASN 39 2HD2 ASN 39 -5.324 -6.795 1.550 298 1HD2 ASN 39 1HD2 ASN 39 -6.991 -6.898 1.989 299 H THR 40 H THR 40 -4.248 -6.410 -0.573 300 HA THR 40 HA THR 40 -4.397 -4.251 -2.420 301 HB THR 40 HB THR 40 -4.548 -5.849 -4.059 302 HG1 THR 40 HG1 THR 40 -6.186 -7.187 -4.024 303 1HG2 THR 40 1HG2 THR 40 -3.510 -7.268 -1.626 304 2HG2 THR 40 2HG2 THR 40 -3.504 -8.024 -3.219 305 3HG2 THR 40 3HG2 THR 40 -2.600 -6.535 -2.947 306 H GLN 41 H GLN 41 -6.519 -5.601 -0.219 307 HA GLN 41 HA GLN 41 -8.889 -4.599 -1.630 308 1HB GLN 41 1HB GLN 41 -8.353 -6.831 0.238 309 2HB GLN 41 2HB GLN 41 -9.891 -6.021 0.415 310 1HG GLN 41 1HG GLN 41 -9.500 -6.498 -2.342 311 2HG GLN 41 2HG GLN 41 -9.112 -7.985 -1.477 312 2HE2 GLN 41 2HE2 GLN 41 -10.788 -9.291 -1.509 313 1HE2 GLN 41 1HE2 GLN 41 -12.437 -8.841 -1.263 314 H ALA 42 H ALA 42 -6.730 -3.491 0.516 315 HA ALA 42 HA ALA 42 -8.301 -2.594 2.684 316 1HB ALA 42 1HB ALA 42 -5.575 -2.315 1.790 317 2HB ALA 42 2HB ALA 42 -6.239 -2.257 3.424 318 3HB ALA 42 3HB ALA 42 -6.197 -0.797 2.435 319 H THR 43 H THR 43 -9.470 -0.829 3.014 320 HA THR 43 HA THR 43 -9.615 1.198 0.879 321 HB THR 43 HB THR 43 -11.910 1.289 0.979 322 HG1 THR 43 HG1 THR 43 -12.849 0.106 3.053 323 1HG2 THR 43 1HG2 THR 43 -11.192 -1.538 1.732 324 2HG2 THR 43 2HG2 THR 43 -12.828 -1.056 1.287 325 3HG2 THR 43 3HG2 THR 43 -11.513 -0.887 0.126 326 H ASN 44 H ASN 44 -9.419 3.314 1.549 327 HA ASN 44 HA ASN 44 -9.476 3.811 4.449 328 1HB ASN 44 1HB ASN 44 -7.308 4.252 2.526 329 2HB ASN 44 2HB ASN 44 -7.686 5.669 3.501 330 2HD2 ASN 44 2HD2 ASN 44 -6.818 2.268 3.648 331 1HD2 ASN 44 1HD2 ASN 44 -6.080 2.335 5.209 332 H ARG 45 H ARG 45 -11.463 4.777 4.504 333 HA ARG 45 HA ARG 45 -12.258 6.769 2.605 334 1HB ARG 45 1HB ARG 45 -13.459 5.352 4.854 335 2HB ARG 45 2HB ARG 45 -13.939 7.043 4.788 336 1HG ARG 45 1HG ARG 45 -14.387 6.515 2.270 337 2HG ARG 45 2HG ARG 45 -14.456 4.847 2.843 338 1HD ARG 45 1HD ARG 45 -15.964 6.610 4.562 339 2HD ARG 45 2HD ARG 45 -16.508 6.734 2.891 340 HE ARG 45 HE ARG 45 -16.490 4.117 3.154 341 1HH1 ARG 45 1HH1 ARG 45 -17.574 6.526 5.426 342 2HH1 ARG 45 2HH1 ARG 45 -18.763 5.496 6.148 343 1HH2 ARG 45 1HH2 ARG 45 -18.054 2.753 4.098 344 2HH2 ARG 45 2HH2 ARG 45 -19.036 3.352 5.394 345 H ASN 46 H ASN 46 -12.026 8.913 2.690 346 HA ASN 46 HA ASN 46 -10.790 10.062 5.105 347 1HB ASN 46 1HB ASN 46 -10.715 11.395 2.419 348 2HB ASN 46 2HB ASN 46 -9.604 11.567 3.773 349 2HD2 ASN 46 2HD2 ASN 46 -7.975 10.076 4.061 350 1HD2 ASN 46 1HD2 ASN 46 -7.542 8.922 2.852 351 H THR 47 H THR 47 -11.209 12.557 5.150 352 HA THR 47 HA THR 47 -14.070 12.861 5.415 353 HB THR 47 HB THR 47 -13.574 15.018 6.442 354 HG1 THR 47 HG1 THR 47 -11.233 14.711 5.087 355 1HG2 THR 47 1HG2 THR 47 -12.835 12.529 7.430 356 2HG2 THR 47 2HG2 THR 47 -11.449 13.562 7.775 357 3HG2 THR 47 3HG2 THR 47 -13.049 14.009 8.366 358 H ASP 48 H ASP 48 -11.711 13.590 3.059 359 HA ASP 48 HA ASP 48 -12.956 15.888 1.915 360 1HB ASP 48 1HB ASP 48 -11.487 15.314 -0.069 361 2HB ASP 48 2HB ASP 48 -10.648 15.595 1.452 362 H GLY 49 H GLY 49 -13.756 12.612 1.926 363 1HA GLY 49 1HA GLY 49 -15.609 13.054 -0.327 364 2HA GLY 49 2HA GLY 49 -15.919 11.984 1.032 365 H SER 50 H SER 50 -12.809 12.059 -0.542 366 HA SER 50 HA SER 50 -13.382 9.869 -2.311 367 1HB SER 50 1HB SER 50 -10.708 9.922 -2.349 368 2HB SER 50 2HB SER 50 -11.685 11.087 -3.241 369 HG SER 50 HG SER 50 -11.321 12.593 -1.676 370 H THR 51 H THR 51 -11.269 8.182 -2.134 371 HA THR 51 HA THR 51 -10.899 7.199 0.542 372 HB THR 51 HB THR 51 -12.360 5.341 -1.323 373 HG1 THR 51 HG1 THR 51 -13.541 6.919 0.735 374 1HG2 THR 51 1HG2 THR 51 -11.004 4.864 0.991 375 2HG2 THR 51 2HG2 THR 51 -12.648 5.097 1.585 376 3HG2 THR 51 3HG2 THR 51 -12.315 3.862 0.370 377 H ASP 52 H ASP 52 -9.625 5.103 0.500 378 HA ASP 52 HA ASP 52 -7.913 5.010 -1.899 379 1HB ASP 52 1HB ASP 52 -7.194 4.533 1.001 380 2HB ASP 52 2HB ASP 52 -6.109 4.239 -0.354 381 H TYR 53 H TYR 53 -9.135 3.416 -2.903 382 HA TYR 53 HA TYR 53 -9.432 0.872 -1.500 383 1HB TYR 53 1HB TYR 53 -10.467 1.708 -4.215 384 2HB TYR 53 2HB TYR 53 -10.836 0.202 -3.387 385 HD1 TYR 53 HD1 TYR 53 -11.925 0.493 -1.000 386 HD2 TYR 53 HD2 TYR 53 -11.961 3.455 -4.050 387 HE1 TYR 53 HE1 TYR 53 -13.892 1.534 0.044 388 HE2 TYR 53 HE2 TYR 53 -13.930 4.503 -3.019 389 HH TYR 53 HH TYR 53 -15.637 2.999 -0.371 390 H GLY 54 H GLY 54 -7.022 0.465 -1.602 391 1HA GLY 54 1HA GLY 54 -5.826 0.105 -4.159 392 2HA GLY 54 2HA GLY 54 -6.401 -1.426 -3.519 393 H ILE 55 H ILE 55 -4.117 -2.028 -3.624 394 HA ILE 55 HA ILE 55 -2.860 -1.818 -1.079 395 HB ILE 55 HB ILE 55 -2.524 -3.745 -2.689 396 1HG1 ILE 55 1HG1 ILE 55 0.104 -2.462 -1.948 397 2HG1 ILE 55 2HG1 ILE 55 -0.987 -3.125 -0.735 398 1HG2 ILE 55 1HG2 ILE 55 -0.817 -1.716 -4.124 399 2HG2 ILE 55 2HG2 ILE 55 -0.793 -3.451 -4.436 400 3HG2 ILE 55 3HG2 ILE 55 -2.259 -2.519 -4.744 401 1HD1 ILE 55 1HD1 ILE 55 -0.868 -5.257 -2.248 402 2HD1 ILE 55 2HD1 ILE 55 0.640 -4.521 -2.791 403 3HD1 ILE 55 3HD1 ILE 55 0.407 -4.897 -1.084 404 H LEU 56 H LEU 56 -2.856 -0.024 -3.992 405 HA LEU 56 HA LEU 56 -0.657 1.688 -3.055 406 1HB LEU 56 1HB LEU 56 -1.271 0.623 -5.638 407 2HB LEU 56 2HB LEU 56 -1.463 2.364 -5.708 408 HG LEU 56 HG LEU 56 0.759 2.036 -6.362 409 1HD1 LEU 56 1HD1 LEU 56 0.302 3.493 -4.178 410 2HD1 LEU 56 2HD1 LEU 56 1.417 2.315 -3.489 411 3HD1 LEU 56 3HD1 LEU 56 1.911 3.292 -4.872 412 1HD2 LEU 56 1HD2 LEU 56 0.875 -0.056 -4.201 413 2HD2 LEU 56 2HD2 LEU 56 1.046 -0.274 -5.943 414 3HD2 LEU 56 3HD2 LEU 56 2.308 0.554 -5.029 415 H GLN 57 H GLN 57 -3.799 1.434 -2.686 416 HA GLN 57 HA GLN 57 -5.442 2.838 -2.060 417 1HB GLN 57 1HB GLN 57 -3.563 5.145 -2.536 418 2HB GLN 57 2HB GLN 57 -4.963 5.095 -1.475 419 1HG GLN 57 1HG GLN 57 -2.484 3.438 -1.077 420 2HG GLN 57 2HG GLN 57 -2.773 4.997 -0.306 421 2HE2 GLN 57 2HE2 GLN 57 -3.858 5.039 1.547 422 1HE2 GLN 57 1HE2 GLN 57 -4.698 3.700 2.246 423 H ILE 58 H ILE 58 -6.381 2.099 -4.202 424 HA ILE 58 HA ILE 58 -6.213 4.050 -6.329 425 HB ILE 58 HB ILE 58 -8.085 1.696 -6.243 426 1HG1 ILE 58 1HG1 ILE 58 -5.951 0.739 -5.740 427 2HG1 ILE 58 2HG1 ILE 58 -6.249 0.452 -7.450 428 1HG2 ILE 58 1HG2 ILE 58 -7.121 3.601 -8.273 429 2HG2 ILE 58 2HG2 ILE 58 -7.246 1.919 -8.788 430 3HG2 ILE 58 3HG2 ILE 58 -8.662 2.752 -8.150 431 1HD1 ILE 58 1HD1 ILE 58 -4.895 2.777 -7.579 432 2HD1 ILE 58 2HD1 ILE 58 -4.180 2.064 -6.133 433 3HD1 ILE 58 3HD1 ILE 58 -4.142 1.185 -7.661 434 H ASN 59 H ASN 59 -7.182 5.911 -5.668 435 HA ASN 59 HA ASN 59 -9.585 6.050 -4.214 436 1HB ASN 59 1HB ASN 59 -7.951 7.907 -4.400 437 2HB ASN 59 2HB ASN 59 -8.387 8.103 -6.094 438 2HD2 ASN 59 2HD2 ASN 59 -8.677 10.309 -4.915 439 1HD2 ASN 59 1HD2 ASN 59 -10.297 10.657 -4.428 440 H SER 60 H SER 60 -11.278 4.902 -5.048 441 HA SER 60 HA SER 60 -11.875 4.707 -7.793 442 1HB SER 60 1HB SER 60 -13.705 3.443 -7.151 443 2HB SER 60 2HB SER 60 -12.665 3.275 -5.737 444 HG SER 60 HG SER 60 -13.867 5.092 -4.850 445 H ARG 61 H ARG 61 -12.307 7.301 -5.645 446 HA ARG 61 HA ARG 61 -14.510 8.408 -7.241 447 1HB ARG 61 1HB ARG 61 -14.373 8.323 -4.593 448 2HB ARG 61 2HB ARG 61 -13.434 9.792 -4.824 449 1HG ARG 61 1HG ARG 61 -15.712 10.074 -6.432 450 2HG ARG 61 2HG ARG 61 -16.272 9.419 -4.891 451 1HD ARG 61 1HD ARG 61 -15.897 11.345 -3.829 452 2HD ARG 61 2HD ARG 61 -14.294 11.514 -4.544 453 HE ARG 61 HE ARG 61 -16.508 12.141 -6.299 454 1HH1 ARG 61 1HH1 ARG 61 -14.152 13.342 -4.031 455 2HH1 ARG 61 2HH1 ARG 61 -14.237 14.973 -4.608 456 1HH2 ARG 61 1HH2 ARG 61 -16.626 14.285 -7.066 457 2HH2 ARG 61 2HH2 ARG 61 -15.644 15.510 -6.333 458 H TRP 62 H TRP 62 -11.663 8.197 -8.046 459 HA TRP 62 HA TRP 62 -11.418 10.855 -9.109 460 1HB TRP 62 1HB TRP 62 -10.282 10.595 -6.673 461 2HB TRP 62 2HB TRP 62 -8.930 10.125 -7.699 462 HD1 TRP 62 HD1 TRP 62 -7.976 12.004 -9.401 463 HE1 TRP 62 HE1 TRP 62 -8.069 14.575 -9.295 464 HE3 TRP 62 HE3 TRP 62 -11.703 12.542 -5.943 465 HZ2 TRP 62 HZ2 TRP 62 -9.529 16.565 -7.928 466 HZ3 TRP 62 HZ3 TRP 62 -12.389 14.813 -5.291 467 HH2 TRP 62 HH2 TRP 62 -11.323 16.782 -6.263 468 H TRP 63 H TRP 63 -10.625 7.531 -9.201 469 HA TRP 63 HA TRP 63 -9.035 8.038 -11.618 470 1HB TRP 63 1HB TRP 63 -8.409 5.994 -9.483 471 2HB TRP 63 2HB TRP 63 -7.602 6.092 -11.041 472 HD1 TRP 63 HD1 TRP 63 -6.828 6.894 -7.683 473 HE1 TRP 63 HE1 TRP 63 -5.195 8.876 -7.486 474 HE3 TRP 63 HE3 TRP 63 -7.352 8.831 -12.369 475 HZ2 TRP 63 HZ2 TRP 63 -4.256 10.991 -9.116 476 HZ3 TRP 63 HZ3 TRP 63 -6.083 10.833 -12.976 477 HH2 TRP 63 HH2 TRP 63 -4.554 11.896 -11.385 478 H CYS 64 H CYS 64 -11.618 6.297 -10.178 479 HA CYS 64 HA CYS 64 -11.928 4.855 -12.692 480 1HB CYS 64 1HB CYS 64 -11.961 2.713 -11.825 481 2HB CYS 64 2HB CYS 64 -10.690 3.457 -10.864 482 H ASN 65 H ASN 65 -13.995 3.890 -13.024 483 HA ASN 65 HA ASN 65 -16.103 5.425 -11.684 484 1HB ASN 65 1HB ASN 65 -15.949 5.464 -14.177 485 2HB ASN 65 2HB ASN 65 -16.278 3.733 -14.188 486 2HD2 ASN 65 2HD2 ASN 65 -18.331 3.006 -13.841 487 1HD2 ASN 65 1HD2 ASN 65 -19.705 4.048 -13.745 488 H ASP 66 H ASP 66 -16.830 4.425 -9.920 489 HA ASP 66 HA ASP 66 -17.238 1.515 -10.012 490 1HB ASP 66 1HB ASP 66 -17.202 1.540 -7.595 491 2HB ASP 66 2HB ASP 66 -15.788 2.398 -8.198 492 H GLY 67 H GLY 67 -18.917 4.380 -10.302 493 1HA GLY 67 1HA GLY 67 -21.442 3.041 -10.265 494 2HA GLY 67 2HA GLY 67 -21.176 4.752 -10.560 495 H ARG 68 H ARG 68 -19.754 3.697 -7.663 496 HA ARG 68 HA ARG 68 -22.093 4.017 -6.014 497 1HB ARG 68 1HB ARG 68 -19.201 3.439 -5.529 498 2HB ARG 68 2HB ARG 68 -20.184 4.018 -4.192 499 1HG ARG 68 1HG ARG 68 -21.631 1.955 -5.474 500 2HG ARG 68 2HG ARG 68 -19.976 1.390 -5.245 501 1HD ARG 68 1HD ARG 68 -20.092 1.577 -2.942 502 2HD ARG 68 2HD ARG 68 -21.407 2.750 -3.003 503 HE ARG 68 HE ARG 68 -22.930 0.986 -3.351 504 1HH1 ARG 68 1HH1 ARG 68 -19.655 -0.121 -2.918 505 2HH1 ARG 68 2HH1 ARG 68 -20.117 -1.754 -2.573 506 1HH2 ARG 68 1HH2 ARG 68 -23.547 -1.162 -2.898 507 2HH2 ARG 68 2HH2 ARG 68 -22.329 -2.346 -2.562 508 H THR 69 H THR 69 -20.237 6.165 -7.637 509 HA THR 69 HA THR 69 -21.057 8.344 -5.890 510 HB THR 69 HB THR 69 -18.253 8.506 -6.897 511 HG1 THR 69 HG1 THR 69 -18.058 6.611 -5.802 512 1HG2 THR 69 1HG2 THR 69 -19.997 9.933 -5.081 513 2HG2 THR 69 2HG2 THR 69 -18.477 9.495 -4.302 514 3HG2 THR 69 3HG2 THR 69 -18.464 10.435 -5.793 515 HA PRO 70 HA PRO 70 -21.911 9.884 -9.997 516 1HB PRO 70 1HB PRO 70 -23.102 12.187 -9.272 517 2HB PRO 70 2HB PRO 70 -23.900 10.621 -9.084 518 1HG PRO 70 1HG PRO 70 -22.478 12.280 -7.038 519 2HG PRO 70 2HG PRO 70 -24.010 11.400 -6.895 520 1HD PRO 70 1HD PRO 70 -21.637 10.444 -5.949 521 2HD PRO 70 2HD PRO 70 -22.963 9.397 -6.490 522 H GLY 71 H GLY 71 -19.529 10.839 -7.964 523 1HA GLY 71 1HA GLY 71 -18.190 12.842 -7.943 524 2HA GLY 71 2HA GLY 71 -18.828 13.232 -9.533 525 H SER 72 H SER 72 -18.260 10.030 -9.675 526 HA SER 72 HA SER 72 -15.515 9.680 -9.778 527 1HB SER 72 1HB SER 72 -17.837 8.338 -11.086 528 2HB SER 72 2HB SER 72 -16.219 7.953 -11.671 529 HG SER 72 HG SER 72 -17.408 7.402 -9.215 530 H ARG 73 H ARG 73 -14.142 10.970 -10.819 531 HA ARG 73 HA ARG 73 -14.797 12.402 -13.187 532 1HB ARG 73 1HB ARG 73 -12.123 11.882 -11.876 533 2HB ARG 73 2HB ARG 73 -12.386 13.012 -13.197 534 1HG ARG 73 1HG ARG 73 -14.167 13.440 -10.925 535 2HG ARG 73 2HG ARG 73 -12.456 13.629 -10.539 536 1HD ARG 73 1HD ARG 73 -13.013 14.894 -13.042 537 2HD ARG 73 2HD ARG 73 -14.162 15.462 -11.832 538 HE ARG 73 HE ARG 73 -11.674 15.565 -10.640 539 1HH1 ARG 73 1HH1 ARG 73 -13.235 17.000 -13.405 540 2HH1 ARG 73 2HH1 ARG 73 -12.297 18.454 -13.341 541 1HH2 ARG 73 1HH2 ARG 73 -10.435 17.476 -10.548 542 2HH2 ARG 73 2HH2 ARG 73 -10.705 18.725 -11.716 543 H ASN 74 H ASN 74 -12.943 9.470 -12.531 544 HA ASN 74 HA ASN 74 -12.319 7.728 -13.866 545 1HB ASN 74 1HB ASN 74 -14.670 8.202 -14.871 546 2HB ASN 74 2HB ASN 74 -13.786 8.958 -16.193 547 2HD2 ASN 74 2HD2 ASN 74 -13.345 6.027 -14.236 548 1HD2 ASN 74 1HD2 ASN 74 -13.183 4.953 -15.577 549 H LEU 75 H LEU 75 -10.633 9.846 -13.510 550 HA LEU 75 HA LEU 75 -9.505 10.988 -15.823 551 1HB LEU 75 1HB LEU 75 -8.802 10.529 -12.997 552 2HB LEU 75 2HB LEU 75 -7.455 10.811 -14.074 553 HG LEU 75 HG LEU 75 -9.831 12.650 -13.655 554 1HD1 LEU 75 1HD1 LEU 75 -7.983 12.321 -11.824 555 2HD1 LEU 75 2HD1 LEU 75 -7.035 13.351 -12.896 556 3HD1 LEU 75 3HD1 LEU 75 -8.564 13.934 -12.239 557 1HD2 LEU 75 1HD2 LEU 75 -8.087 12.494 -15.834 558 2HD2 LEU 75 2HD2 LEU 75 -9.186 13.815 -15.436 559 3HD2 LEU 75 3HD2 LEU 75 -7.515 13.859 -14.875 560 H CYS 76 H CYS 76 -8.756 8.254 -13.887 561 HA CYS 76 HA CYS 76 -6.555 7.341 -15.483 562 1HB CYS 76 1HB CYS 76 -7.189 7.197 -12.914 563 2HB CYS 76 2HB CYS 76 -7.879 5.671 -13.439 564 H ASN 77 H ASN 77 -9.949 6.644 -15.081 565 HA ASN 77 HA ASN 77 -11.411 5.274 -16.166 566 1HB ASN 77 1HB ASN 77 -10.402 6.624 -18.095 567 2HB ASN 77 2HB ASN 77 -9.419 5.201 -18.432 568 2HD2 ASN 77 2HD2 ASN 77 -10.690 5.603 -20.500 569 1HD2 ASN 77 1HD2 ASN 77 -12.175 4.734 -20.657 570 H ILE 78 H ILE 78 -10.082 3.930 -14.365 571 HA ILE 78 HA ILE 78 -9.169 1.481 -15.668 572 HB ILE 78 HB ILE 78 -7.393 1.596 -14.347 573 1HG1 ILE 78 1HG1 ILE 78 -9.286 0.460 -12.749 574 2HG1 ILE 78 2HG1 ILE 78 -7.589 0.612 -12.321 575 1HG2 ILE 78 1HG2 ILE 78 -8.810 3.894 -13.026 576 2HG2 ILE 78 2HG2 ILE 78 -7.135 3.446 -12.707 577 3HG2 ILE 78 3HG2 ILE 78 -7.617 3.971 -14.321 578 1HD1 ILE 78 1HD1 ILE 78 -9.470 2.816 -11.644 579 2HD1 ILE 78 2HD1 ILE 78 -9.441 1.355 -10.657 580 3HD1 ILE 78 3HD1 ILE 78 -7.979 2.323 -10.843 581 HA PRO 79 HA PRO 79 -12.779 -0.432 -13.884 582 1HB PRO 79 1HB PRO 79 -11.389 -3.004 -13.941 583 2HB PRO 79 2HB PRO 79 -12.771 -2.473 -14.901 584 1HG PRO 79 1HG PRO 79 -10.308 -2.874 -15.967 585 2HG PRO 79 2HG PRO 79 -11.451 -1.677 -16.603 586 1HD PRO 79 1HD PRO 79 -9.066 -1.273 -14.838 587 2HD PRO 79 2HD PRO 79 -9.650 -0.279 -16.192 588 H CYS 80 H CYS 80 -13.155 -0.187 -11.748 589 HA CYS 80 HA CYS 80 -11.160 -0.345 -9.788 590 1HB CYS 80 1HB CYS 80 -14.029 -0.663 -9.037 591 2HB CYS 80 2HB CYS 80 -12.780 0.338 -8.302 592 H SER 81 H SER 81 -13.995 -2.509 -10.134 593 HA SER 81 HA SER 81 -13.167 -4.394 -8.270 594 1HB SER 81 1HB SER 81 -14.850 -5.832 -9.160 595 2HB SER 81 2HB SER 81 -15.448 -4.184 -9.340 596 HG SER 81 HG SER 81 -15.169 -4.292 -11.475 597 H ALA 82 H ALA 82 -12.065 -3.961 -11.551 598 HA ALA 82 HA ALA 82 -11.021 -6.615 -11.850 599 1HB ALA 82 1HB ALA 82 -11.639 -4.821 -13.661 600 2HB ALA 82 2HB ALA 82 -10.342 -5.982 -13.943 601 3HB ALA 82 3HB ALA 82 -9.958 -4.336 -13.442 602 H LEU 83 H LEU 83 -10.040 -3.920 -10.122 603 HA LEU 83 HA LEU 83 -7.207 -4.690 -10.158 604 1HB LEU 83 1HB LEU 83 -6.661 -2.569 -9.519 605 2HB LEU 83 2HB LEU 83 -8.160 -2.238 -10.363 606 HG LEU 83 HG LEU 83 -9.077 -2.635 -7.831 607 1HD1 LEU 83 1HD1 LEU 83 -6.717 -2.843 -7.040 608 2HD1 LEU 83 2HD1 LEU 83 -6.469 -1.165 -7.521 609 3HD1 LEU 83 3HD1 LEU 83 -7.641 -1.557 -6.263 610 1HD2 LEU 83 1HD2 LEU 83 -8.595 -0.418 -9.617 611 2HD2 LEU 83 2HD2 LEU 83 -9.940 -0.702 -8.512 612 3HD2 LEU 83 3HD2 LEU 83 -8.469 0.077 -7.929 613 H LEU 84 H LEU 84 -10.006 -5.235 -8.447 614 HA LEU 84 HA LEU 84 -8.537 -5.815 -5.964 615 1HB LEU 84 1HB LEU 84 -11.514 -5.591 -6.106 616 2HB LEU 84 2HB LEU 84 -10.444 -5.307 -4.744 617 HG LEU 84 HG LEU 84 -10.217 -3.509 -7.099 618 1HD1 LEU 84 1HD1 LEU 84 -12.567 -3.682 -5.296 619 2HD1 LEU 84 2HD1 LEU 84 -11.971 -2.083 -5.740 620 3HD1 LEU 84 3HD1 LEU 84 -12.472 -3.217 -6.995 621 1HD2 LEU 84 1HD2 LEU 84 -9.991 -3.107 -4.119 622 2HD2 LEU 84 2HD2 LEU 84 -8.657 -3.279 -5.259 623 3HD2 LEU 84 3HD2 LEU 84 -9.711 -1.868 -5.343 624 H SER 85 H SER 85 -8.409 -7.596 -8.080 625 HA SER 85 HA SER 85 -9.993 -9.839 -7.033 626 1HB SER 85 1HB SER 85 -9.426 -9.075 -9.876 627 2HB SER 85 2HB SER 85 -9.642 -10.777 -9.467 628 HG SER 85 HG SER 85 -11.482 -8.654 -9.111 629 H SER 86 H SER 86 -7.551 -9.018 -6.123 630 HA SER 86 HA SER 86 -5.603 -9.925 -5.343 631 1HB SER 86 1HB SER 86 -6.128 -12.348 -7.079 632 2HB SER 86 2HB SER 86 -5.126 -12.251 -5.631 633 HG SER 86 HG SER 86 -7.105 -13.189 -5.119 634 H ASP 87 H ASP 87 -6.141 -8.487 -7.846 635 HA ASP 87 HA ASP 87 -3.620 -9.029 -9.259 636 1HB ASP 87 1HB ASP 87 -5.798 -9.654 -10.403 637 2HB ASP 87 2HB ASP 87 -6.157 -7.934 -10.449 638 H ILE 88 H ILE 88 -2.227 -7.354 -9.039 639 HA ILE 88 HA ILE 88 -3.280 -4.742 -8.297 640 HB ILE 88 HB ILE 88 -0.662 -4.267 -8.358 641 1HG1 ILE 88 1HG1 ILE 88 -0.499 -7.056 -7.357 642 2HG1 ILE 88 2HG1 ILE 88 -0.553 -6.852 -9.106 643 1HG2 ILE 88 1HG2 ILE 88 -2.201 -5.672 -6.191 644 2HG2 ILE 88 2HG2 ILE 88 -0.617 -4.935 -5.951 645 3HG2 ILE 88 3HG2 ILE 88 -1.992 -3.936 -6.417 646 1HD1 ILE 88 1HD1 ILE 88 1.340 -5.096 -7.711 647 2HD1 ILE 88 2HD1 ILE 88 1.705 -6.819 -7.626 648 3HD1 ILE 88 3HD1 ILE 88 1.531 -6.030 -9.194 649 H THR 89 H THR 89 -2.540 -6.361 -11.119 650 HA THR 89 HA THR 89 -1.116 -4.690 -12.723 651 HB THR 89 HB THR 89 -3.679 -5.907 -13.724 652 HG1 THR 89 HG1 THR 89 -1.473 -7.527 -13.844 653 1HG2 THR 89 1HG2 THR 89 -1.752 -4.529 -15.034 654 2HG2 THR 89 2HG2 THR 89 -1.131 -6.172 -15.183 655 3HG2 THR 89 3HG2 THR 89 -2.745 -5.782 -15.779 656 H ALA 90 H ALA 90 -4.650 -4.470 -12.244 657 HA ALA 90 HA ALA 90 -4.981 -2.160 -13.742 658 1HB ALA 90 1HB ALA 90 -6.624 -3.728 -11.887 659 2HB ALA 90 2HB ALA 90 -7.096 -2.041 -12.089 660 3HB ALA 90 3HB ALA 90 -7.001 -3.104 -13.493 661 H SER 91 H SER 91 -4.494 -2.616 -10.258 662 HA SER 91 HA SER 91 -4.816 0.087 -9.512 663 1HB SER 91 1HB SER 91 -2.906 -1.262 -7.827 664 2HB SER 91 2HB SER 91 -4.558 -0.770 -7.455 665 HG SER 91 HG SER 91 -3.914 -3.117 -8.908 666 H VAL 92 H VAL 92 -2.077 -1.738 -10.655 667 HA VAL 92 HA VAL 92 -0.207 0.342 -10.101 668 HB VAL 92 HB VAL 92 0.067 -2.085 -11.867 669 1HG1 VAL 92 1HG1 VAL 92 1.951 0.201 -11.356 670 2HG1 VAL 92 2HG1 VAL 92 2.559 -1.402 -11.767 671 3HG1 VAL 92 3HG1 VAL 92 1.505 -0.543 -12.890 672 1HG2 VAL 92 1HG2 VAL 92 0.641 -1.450 -9.053 673 2HG2 VAL 92 2HG2 VAL 92 0.322 -3.004 -9.823 674 3HG2 VAL 92 3HG2 VAL 92 1.933 -2.293 -9.907 675 H ASN 93 H ASN 93 -1.670 -0.858 -13.129 676 HA ASN 93 HA ASN 93 -0.574 0.781 -14.920 677 1HB ASN 93 1HB ASN 93 -2.075 -0.233 -16.183 678 2HB ASN 93 2HB ASN 93 -2.913 -0.749 -14.743 679 2HD2 ASN 93 2HD2 ASN 93 -2.733 1.682 -17.224 680 1HD2 ASN 93 1HD2 ASN 93 -4.310 2.341 -16.974 681 H CYS 94 H CYS 94 -3.142 1.548 -12.683 682 HA CYS 94 HA CYS 94 -3.625 4.178 -13.574 683 1HB CYS 94 1HB CYS 94 -5.003 2.675 -11.955 684 2HB CYS 94 2HB CYS 94 -3.968 3.367 -10.708 685 H ALA 95 H ALA 95 -1.567 2.910 -10.943 686 HA ALA 95 HA ALA 95 -0.606 5.486 -10.203 687 1HB ALA 95 1HB ALA 95 0.040 4.351 -8.449 688 2HB ALA 95 2HB ALA 95 1.312 3.617 -9.423 689 3HB ALA 95 3HB ALA 95 -0.256 2.822 -9.278 690 H LYS 96 H LYS 96 0.658 2.959 -12.345 691 HA LYS 96 HA LYS 96 3.163 3.938 -12.881 692 1HB LYS 96 1HB LYS 96 1.599 1.975 -13.970 693 2HB LYS 96 2HB LYS 96 1.634 3.145 -15.281 694 1HG LYS 96 1HG LYS 96 3.934 2.962 -15.551 695 2HG LYS 96 2HG LYS 96 4.162 2.260 -13.949 696 1HD LYS 96 1HD LYS 96 4.321 0.341 -15.141 697 2HD LYS 96 2HD LYS 96 2.560 0.398 -15.025 698 1HE LYS 96 1HE LYS 96 2.667 0.169 -17.265 699 2HE LYS 96 2HE LYS 96 2.945 1.910 -17.223 700 1HZ LYS 96 1HZ LYS 96 5.385 0.536 -16.863 701 2HZ LYS 96 2HZ LYS 96 4.618 -0.041 -18.256 702 3HZ LYS 96 3HZ LYS 96 4.944 1.612 -18.093 703 H LYS 97 H LYS 97 0.025 4.896 -13.847 704 HA LYS 97 HA LYS 97 0.850 7.061 -15.591 705 1HB LYS 97 1HB LYS 97 -1.370 5.609 -15.638 706 2HB LYS 97 2HB LYS 97 -1.939 6.858 -14.539 707 1HG LYS 97 1HG LYS 97 -0.795 8.313 -16.561 708 2HG LYS 97 2HG LYS 97 -1.513 6.947 -17.416 709 1HD LYS 97 1HD LYS 97 -3.420 7.752 -15.527 710 2HD LYS 97 2HD LYS 97 -2.791 9.240 -16.238 711 1HE LYS 97 1HE LYS 97 -3.105 7.858 -18.478 712 2HE LYS 97 2HE LYS 97 -4.306 7.017 -17.498 713 1HZ LYS 97 1HZ LYS 97 -4.499 9.856 -17.241 714 2HZ LYS 97 2HZ LYS 97 -4.679 9.360 -18.847 715 3HZ LYS 97 3HZ LYS 97 -5.693 8.728 -17.651 716 H ILE 98 H ILE 98 -0.220 6.611 -12.283 717 HA ILE 98 HA ILE 98 -0.704 9.283 -11.628 718 HB ILE 98 HB ILE 98 0.207 7.024 -9.868 719 1HG1 ILE 98 1HG1 ILE 98 -2.505 8.344 -10.152 720 2HG1 ILE 98 2HG1 ILE 98 -2.048 6.850 -10.961 721 1HG2 ILE 98 1HG2 ILE 98 -0.672 9.814 -9.146 722 2HG2 ILE 98 2HG2 ILE 98 -0.602 8.479 -7.997 723 3HG2 ILE 98 3HG2 ILE 98 0.872 9.045 -8.781 724 1HD1 ILE 98 1HD1 ILE 98 -1.490 6.566 -8.193 725 2HD1 ILE 98 2HD1 ILE 98 -3.126 7.198 -8.376 726 3HD1 ILE 98 3HD1 ILE 98 -2.666 5.698 -9.182 727 H VAL 99 H VAL 99 2.192 7.318 -11.216 728 HA VAL 99 HA VAL 99 3.818 9.468 -10.310 729 HB VAL 99 HB VAL 99 4.168 6.951 -9.917 730 1HG1 VAL 99 1HG1 VAL 99 4.330 6.745 -12.575 731 2HG1 VAL 99 2HG1 VAL 99 6.038 6.990 -12.208 732 3HG1 VAL 99 3HG1 VAL 99 5.164 5.644 -11.479 733 1HG2 VAL 99 1HG2 VAL 99 6.334 8.939 -10.507 734 2HG2 VAL 99 2HG2 VAL 99 5.694 8.428 -8.945 735 3HG2 VAL 99 3HG2 VAL 99 6.702 7.329 -9.887 736 H SER 100 H SER 100 2.927 8.282 -13.445 737 HA SER 100 HA SER 100 5.130 9.657 -14.765 738 1HB SER 100 1HB SER 100 3.015 7.749 -15.581 739 2HB SER 100 2HB SER 100 3.493 8.931 -16.799 740 HG SER 100 HG SER 100 5.643 8.230 -16.538 741 H ASP 101 H ASP 101 2.214 10.488 -13.450 742 HA ASP 101 HA ASP 101 1.447 12.464 -15.434 743 1HB ASP 101 1HB ASP 101 -0.174 11.103 -13.984 744 2HB ASP 101 2HB ASP 101 0.278 12.185 -12.670 745 H GLY 102 H GLY 102 3.657 12.309 -12.934 746 1HA GLY 102 1HA GLY 102 3.486 15.212 -12.433 747 2HA GLY 102 2HA GLY 102 4.998 14.485 -12.949 748 H ASN 103 H ASN 103 3.256 12.412 -10.935 749 HA ASN 103 HA ASN 103 4.012 13.458 -8.403 750 1HB ASN 103 1HB ASN 103 2.953 10.830 -9.374 751 2HB ASN 103 2HB ASN 103 3.572 10.962 -7.728 752 2HD2 ASN 103 2HD2 ASN 103 0.853 11.083 -9.497 753 1HD2 ASN 103 1HD2 ASN 103 -0.117 12.107 -8.500 754 H GLY 104 H GLY 104 5.082 10.806 -7.382 755 1HA GLY 104 1HA GLY 104 7.852 11.459 -7.814 756 2HA GLY 104 2HA GLY 104 7.366 9.916 -8.500 757 H MET 105 H MET 105 5.501 9.153 -6.537 758 HA MET 105 HA MET 105 5.526 7.769 -4.720 759 1HB MET 105 1HB MET 105 8.336 8.729 -4.146 760 2HB MET 105 2HB MET 105 7.531 7.330 -3.450 761 1HG MET 105 1HG MET 105 8.648 7.695 -6.193 762 2HG MET 105 2HG MET 105 8.937 6.404 -5.030 763 1HE MET 105 1HE MET 105 6.977 5.175 -4.046 764 2HE MET 105 2HE MET 105 5.348 5.655 -4.521 765 3HE MET 105 3HE MET 105 6.039 4.153 -5.136 766 H ASN 106 H ASN 106 5.524 10.920 -4.991 767 HA ASN 106 HA ASN 106 5.528 11.621 -2.168 768 1HB ASN 106 1HB ASN 106 5.677 13.063 -4.753 769 2HB ASN 106 2HB ASN 106 4.888 13.900 -3.430 770 2HD2 ASN 106 2HD2 ASN 106 6.320 15.362 -2.772 771 1HD2 ASN 106 1HD2 ASN 106 7.959 15.033 -2.335 772 H ALA 107 H ALA 107 3.347 11.083 -4.832 773 HA ALA 107 HA ALA 107 1.063 12.409 -3.965 774 1HB ALA 107 1HB ALA 107 1.706 10.542 -5.972 775 2HB ALA 107 2HB ALA 107 0.231 11.495 -5.811 776 3HB ALA 107 3HB ALA 107 0.323 9.886 -5.095 777 H TRP 108 H TRP 108 2.250 9.186 -3.151 778 HA TRP 108 HA TRP 108 0.041 8.642 -1.389 779 1HB TRP 108 1HB TRP 108 2.635 7.126 -1.749 780 2HB TRP 108 2HB TRP 108 1.171 6.529 -0.969 781 HD1 TRP 108 HD1 TRP 108 -0.917 5.928 -2.565 782 HE1 TRP 108 HE1 TRP 108 -1.044 5.359 -5.071 783 HE3 TRP 108 HE3 TRP 108 3.683 7.622 -4.019 784 HZ2 TRP 108 HZ2 TRP 108 0.585 5.599 -7.369 785 HZ3 TRP 108 HZ3 TRP 108 4.321 7.416 -6.387 786 HH2 TRP 108 HH2 TRP 108 2.805 6.425 -8.023 787 H VAL 109 H VAL 109 -0.113 9.184 0.658 788 HA VAL 109 HA VAL 109 1.877 10.730 1.960 789 HB VAL 109 HB VAL 109 -0.197 9.649 3.637 790 1HG1 VAL 109 1HG1 VAL 109 1.383 11.632 4.021 791 2HG1 VAL 109 2HG1 VAL 109 0.276 12.522 2.977 792 3HG1 VAL 109 3HG1 VAL 109 -0.309 11.814 4.482 793 1HG2 VAL 109 1HG2 VAL 109 -1.436 9.651 1.547 794 2HG2 VAL 109 2HG2 VAL 109 -2.019 10.933 2.609 795 3HG2 VAL 109 3HG2 VAL 109 -0.957 11.322 1.256 796 H ALA 110 H ALA 110 1.131 7.340 2.044 797 HA ALA 110 HA ALA 110 2.264 6.796 4.588 798 1HB ALA 110 1HB ALA 110 2.402 4.674 2.547 799 2HB ALA 110 2HB ALA 110 1.736 4.639 4.180 800 3HB ALA 110 3HB ALA 110 0.798 5.337 2.859 801 H TRP 111 H TRP 111 3.588 7.422 1.496 802 HA TRP 111 HA TRP 111 6.167 6.263 2.154 803 1HB TRP 111 1HB TRP 111 5.397 6.120 -0.164 804 2HB TRP 111 2HB TRP 111 5.318 7.870 -0.265 805 HD1 TRP 111 HD1 TRP 111 7.707 4.976 -0.565 806 HE1 TRP 111 HE1 TRP 111 10.031 5.844 -1.251 807 HE3 TRP 111 HE3 TRP 111 6.927 9.994 0.053 808 HZ2 TRP 111 HZ2 TRP 111 11.358 8.320 -1.501 809 HZ3 TRP 111 HZ3 TRP 111 8.776 11.542 -0.431 810 HH2 TRP 111 HH2 TRP 111 10.946 10.721 -1.191 811 H ARG 112 H ARG 112 4.636 9.458 1.972 812 HA ARG 112 HA ARG 112 7.144 10.749 2.706 813 1HB ARG 112 1HB ARG 112 4.594 11.562 1.527 814 2HB ARG 112 2HB ARG 112 5.211 12.683 2.732 815 1HG ARG 112 1HG ARG 112 7.437 12.183 1.231 816 2HG ARG 112 2HG ARG 112 6.151 12.133 0.024 817 1HD ARG 112 1HD ARG 112 5.517 14.331 0.424 818 2HD ARG 112 2HD ARG 112 6.270 14.361 2.017 819 HE ARG 112 HE ARG 112 8.328 14.006 0.224 820 1HH1 ARG 112 1HH1 ARG 112 5.855 16.395 0.788 821 2HH1 ARG 112 2HH1 ARG 112 6.804 17.709 0.180 822 1HH2 ARG 112 1HH2 ARG 112 9.586 15.731 -0.577 823 2HH2 ARG 112 2HH2 ARG 112 8.925 17.332 -0.596 824 H ASN 113 H ASN 113 6.274 9.025 4.642 825 HA ASN 113 HA ASN 113 5.828 10.853 6.843 826 1HB ASN 113 1HB ASN 113 3.545 10.021 5.932 827 2HB ASN 113 2HB ASN 113 3.977 8.491 6.690 828 2HD2 ASN 113 2HD2 ASN 113 3.360 8.229 8.705 829 1HD2 ASN 113 1HD2 ASN 113 2.966 9.486 9.822 830 H ARG 114 H ARG 114 5.602 7.358 6.257 831 HA ARG 114 HA ARG 114 7.449 6.923 8.491 832 1HB ARG 114 1HB ARG 114 5.265 5.357 7.236 833 2HB ARG 114 2HB ARG 114 6.617 4.455 7.894 834 1HG ARG 114 1HG ARG 114 5.254 6.543 9.540 835 2HG ARG 114 2HG ARG 114 4.562 4.928 9.383 836 1HD ARG 114 1HD ARG 114 7.231 4.452 9.926 837 2HD ARG 114 2HD ARG 114 6.837 5.838 10.944 838 HE ARG 114 HE ARG 114 4.958 3.639 11.057 839 1HH1 ARG 114 1HH1 ARG 114 7.784 5.138 12.439 840 2HH1 ARG 114 2HH1 ARG 114 7.605 4.359 13.976 841 1HH2 ARG 114 1HH2 ARG 114 4.713 2.610 13.077 842 2HH2 ARG 114 2HH2 ARG 114 5.859 2.922 14.338 843 H CYS 115 H CYS 115 7.640 7.289 5.250 844 HA CYS 115 HA CYS 115 9.782 5.284 4.992 845 1HB CYS 115 1HB CYS 115 7.781 5.104 3.448 846 2HB CYS 115 2HB CYS 115 8.333 6.601 2.704 847 H LYS 116 H LYS 116 8.889 8.599 4.023 848 HA LYS 116 HA LYS 116 11.291 9.326 2.852 849 1HB LYS 116 1HB LYS 116 9.036 10.599 3.030 850 2HB LYS 116 2HB LYS 116 9.710 11.265 4.511 851 1HG LYS 116 1HG LYS 116 11.667 12.050 3.174 852 2HG LYS 116 2HG LYS 116 10.803 11.541 1.723 853 1HD LYS 116 1HD LYS 116 9.045 13.102 2.132 854 2HD LYS 116 2HD LYS 116 9.676 13.479 3.737 855 1HE LYS 116 1HE LYS 116 11.253 13.967 1.224 856 2HE LYS 116 2HE LYS 116 10.144 15.165 1.890 857 1HZ LYS 116 1HZ LYS 116 11.436 14.982 4.003 858 2HZ LYS 116 2HZ LYS 116 12.576 14.051 3.170 859 3HZ LYS 116 3HZ LYS 116 12.293 15.654 2.711 860 H GLY 117 H GLY 117 13.118 8.648 3.919 861 1HA GLY 117 1HA GLY 117 13.548 9.785 6.609 862 2HA GLY 117 2HA GLY 117 14.768 9.915 5.352 863 H THR 118 H THR 118 13.523 6.980 4.757 864 HA THR 118 HA THR 118 15.312 5.646 6.678 865 HB THR 118 HB THR 118 13.927 3.649 6.472 866 HG1 THR 118 HG1 THR 118 13.145 3.974 4.347 867 1HG2 THR 118 1HG2 THR 118 12.781 6.226 7.369 868 2HG2 THR 118 2HG2 THR 118 11.659 4.873 7.222 869 3HG2 THR 118 3HG2 THR 118 13.071 4.739 8.272 870 H ASP 119 H ASP 119 14.892 3.110 5.134 871 HA ASP 119 HA ASP 119 16.416 3.715 2.716 872 1HB ASP 119 1HB ASP 119 17.751 2.922 4.802 873 2HB ASP 119 2HB ASP 119 17.178 1.360 4.263 874 H VAL 120 H VAL 120 15.021 3.126 1.175 875 HA VAL 120 HA VAL 120 13.267 0.884 1.428 876 HB VAL 120 HB VAL 120 12.635 1.372 -0.902 877 1HG1 VAL 120 1HG1 VAL 120 11.633 2.607 1.006 878 2HG1 VAL 120 2HG1 VAL 120 12.810 3.894 0.740 879 3HG1 VAL 120 3HG1 VAL 120 11.623 3.513 -0.507 880 1HG2 VAL 120 1HG2 VAL 120 15.192 2.568 -0.999 881 2HG2 VAL 120 2HG2 VAL 120 14.012 2.414 -2.300 882 3HG2 VAL 120 3HG2 VAL 120 14.010 3.847 -1.272 883 H GLN 121 H GLN 121 16.396 1.512 0.015 884 HA GLN 121 HA GLN 121 16.589 -0.698 -1.702 885 1HB GLN 121 1HB GLN 121 18.348 1.311 -0.646 886 2HB GLN 121 2HB GLN 121 19.135 -0.257 -0.528 887 1HG GLN 121 1HG GLN 121 18.559 -0.595 -2.959 888 2HG GLN 121 2HG GLN 121 18.092 1.105 -2.992 889 2HE2 GLN 121 2HE2 GLN 121 19.648 2.667 -2.985 890 1HE2 GLN 121 1HE2 GLN 121 21.337 2.333 -3.125 891 H ALA 122 H ALA 122 16.647 -0.391 1.711 892 HA ALA 122 HA ALA 122 17.766 -3.041 2.147 893 1HB ALA 122 1HB ALA 122 17.073 -0.725 3.884 894 2HB ALA 122 2HB ALA 122 17.107 -2.336 4.602 895 3HB ALA 122 3HB ALA 122 18.549 -1.688 3.820 896 H TRP 123 H TRP 123 14.717 -1.478 1.804 897 HA TRP 123 HA TRP 123 13.100 -3.230 3.324 898 1HB TRP 123 1HB TRP 123 12.632 -1.286 1.122 899 2HB TRP 123 2HB TRP 123 11.377 -2.483 1.421 900 HD1 TRP 123 HD1 TRP 123 11.633 0.864 2.109 901 HE1 TRP 123 HE1 TRP 123 10.727 1.566 4.414 902 HE3 TRP 123 HE3 TRP 123 11.624 -3.672 4.436 903 HZ2 TRP 123 HZ2 TRP 123 10.106 0.325 6.861 904 HZ3 TRP 123 HZ3 TRP 123 10.862 -3.837 6.749 905 HH2 TRP 123 HH2 TRP 123 10.110 -1.855 7.950 906 H ILE 124 H ILE 124 14.785 -3.672 0.391 907 HA ILE 124 HA ILE 124 13.361 -6.213 -0.055 908 HB ILE 124 HB ILE 124 14.023 -5.967 -2.482 909 1HG1 ILE 124 1HG1 ILE 124 14.053 -3.025 -2.177 910 2HG1 ILE 124 2HG1 ILE 124 15.508 -3.860 -1.639 911 1HG2 ILE 124 1HG2 ILE 124 11.840 -4.829 -1.024 912 2HG2 ILE 124 2HG2 ILE 124 12.188 -3.842 -2.443 913 3HG2 ILE 124 3HG2 ILE 124 11.848 -5.562 -2.628 914 1HD1 ILE 124 1HD1 ILE 124 14.680 -4.871 -4.188 915 2HD1 ILE 124 2HD1 ILE 124 14.826 -3.114 -4.240 916 3HD1 ILE 124 3HD1 ILE 124 16.196 -4.099 -3.724 917 H ARG 125 H ARG 125 16.000 -5.121 1.232 918 HA ARG 125 HA ARG 125 18.140 -6.308 -0.181 919 1HB ARG 125 1HB ARG 125 17.804 -4.823 2.207 920 2HB ARG 125 2HB ARG 125 18.655 -6.299 2.639 921 1HG ARG 125 1HG ARG 125 19.851 -5.326 0.278 922 2HG ARG 125 2HG ARG 125 19.658 -3.954 1.372 923 1HD ARG 125 1HD ARG 125 20.553 -6.026 2.994 924 2HD ARG 125 2HD ARG 125 21.492 -6.188 1.511 925 HE ARG 125 HE ARG 125 21.568 -3.512 2.175 926 1HH1 ARG 125 1HH1 ARG 125 22.534 -6.523 3.639 927 2HH1 ARG 125 2HH1 ARG 125 23.850 -5.822 4.519 928 1HH2 ARG 125 1HH2 ARG 125 23.299 -2.581 3.331 929 2HH2 ARG 125 2HH2 ARG 125 24.285 -3.580 4.344 930 H GLY 126 H GLY 126 17.657 -8.404 -0.781 931 1HA GLY 126 1HA GLY 126 17.469 -10.334 1.451 932 2HA GLY 126 2HA GLY 126 18.393 -10.636 -0.013 933 H CYS 127 H CYS 127 15.638 -9.023 -0.885 934 HA CYS 127 HA CYS 127 13.635 -10.936 -0.779 935 1HB CYS 127 1HB CYS 127 14.144 -8.533 -2.338 936 2HB CYS 127 2HB CYS 127 12.938 -9.622 -2.989 937 H ARG 128 H ARG 128 13.393 -12.842 -1.740 938 HA ARG 128 HA ARG 128 15.231 -13.646 -3.824 939 1HB ARG 128 1HB ARG 128 13.970 -14.978 -1.765 940 2HB ARG 128 2HB ARG 128 13.064 -15.505 -3.177 941 1HG ARG 128 1HG ARG 128 14.649 -17.032 -3.460 942 2HG ARG 128 2HG ARG 128 15.690 -15.709 -3.991 943 1HD ARG 128 1HD ARG 128 16.753 -17.077 -2.252 944 2HD ARG 128 2HD ARG 128 16.511 -15.411 -1.729 945 HE ARG 128 HE ARG 128 14.760 -17.638 -0.908 946 1HH1 ARG 128 1HH1 ARG 128 16.490 -14.688 -0.238 947 2HH1 ARG 128 2HH1 ARG 128 15.958 -14.598 1.408 948 1HH2 ARG 128 1HH2 ARG 128 14.053 -17.527 1.258 949 2HH2 ARG 128 2HH2 ARG 128 14.573 -16.211 2.258 950 H LEU 129 H LEU 129 14.687 -12.565 -5.681 951 HA LEU 129 HA LEU 129 12.429 -13.595 -7.132 952 1HB LEU 129 1HB LEU 129 11.340 -11.494 -7.577 953 2HB LEU 129 2HB LEU 129 11.402 -11.759 -5.844 954 HG LEU 129 HG LEU 129 13.689 -10.286 -6.332 955 1HD1 LEU 129 1HD1 LEU 129 12.630 -9.956 -8.658 956 2HD1 LEU 129 2HD1 LEU 129 11.500 -8.892 -7.822 957 3HD1 LEU 129 3HD1 LEU 129 13.228 -8.542 -7.792 958 1HD2 LEU 129 1HD2 LEU 129 10.939 -9.404 -5.467 959 2HD2 LEU 129 2HD2 LEU 129 12.244 -9.986 -4.433 960 3HD2 LEU 129 3HD2 LEU 129 12.407 -8.445 -5.275 No H/Q in entry = 960 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -7.247 -9.226 2.105 2 H2 LYS 1 H2 LYS 1 -8.055 -10.710 2.027 3 H3 LYS 1 H3 LYS 1 -7.004 -10.387 3.311 4 HA LYS 1 HA LYS 1 -5.612 -11.638 2.075 5 1HB LYS 1 1HB LYS 1 -7.660 -11.321 0.216 6 2HB LYS 1 2HB LYS 1 -6.237 -10.703 -0.612 7 1HG LYS 1 1HG LYS 1 -5.184 -12.949 0.325 8 2HG LYS 1 2HG LYS 1 -6.874 -13.455 0.278 9 1HD LYS 1 1HD LYS 1 -5.780 -12.065 -2.107 10 2HD LYS 1 2HD LYS 1 -5.257 -13.725 -1.814 11 1HE LYS 1 1HE LYS 1 -8.120 -12.794 -2.002 12 2HE LYS 1 2HE LYS 1 -7.226 -13.615 -3.281 13 1HZ LYS 1 1HZ LYS 1 -6.899 -15.292 -1.213 14 2HZ LYS 1 2HZ LYS 1 -8.450 -14.696 -0.897 15 3HZ LYS 1 3HZ LYS 1 -8.116 -15.444 -2.378 16 H VAL 2 H VAL 2 -3.875 -10.481 2.791 17 HA VAL 2 HA VAL 2 -3.129 -8.042 1.335 18 HB VAL 2 HB VAL 2 -2.241 -9.134 4.005 19 1HG1 VAL 2 1HG1 VAL 2 -0.547 -7.817 2.358 20 2HG1 VAL 2 2HG1 VAL 2 -1.308 -6.465 3.194 21 3HG1 VAL 2 3HG1 VAL 2 -0.485 -7.720 4.118 22 1HG2 VAL 2 1HG2 VAL 2 -4.369 -7.497 3.281 23 2HG2 VAL 2 2HG2 VAL 2 -3.727 -7.747 4.905 24 3HG2 VAL 2 3HG2 VAL 2 -3.151 -6.397 3.927 25 H PHE 3 H PHE 3 -1.100 -7.830 0.355 26 HA PHE 3 HA PHE 3 0.128 -10.248 -0.561 27 1HB PHE 3 1HB PHE 3 0.819 -7.325 -0.923 28 2HB PHE 3 2HB PHE 3 1.755 -8.629 -1.637 29 HD1 PHE 3 HD1 PHE 3 -0.310 -10.453 -2.590 30 HD2 PHE 3 HD2 PHE 3 -0.169 -6.203 -2.651 31 HE1 PHE 3 HE1 PHE 3 -1.780 -10.437 -4.558 32 HE2 PHE 3 HE2 PHE 3 -1.636 -6.176 -4.616 33 HZ PHE 3 HZ PHE 3 -2.447 -8.296 -5.579 34 H GLY 4 H GLY 4 2.537 -10.485 -0.439 35 1HA GLY 4 1HA GLY 4 4.168 -11.150 1.116 36 2HA GLY 4 2HA GLY 4 3.381 -10.153 2.334 37 H ARG 5 H ARG 5 6.213 -10.240 1.667 38 HA ARG 5 HA ARG 5 6.564 -7.390 1.179 39 1HB ARG 5 1HB ARG 5 8.609 -9.459 2.004 40 2HB ARG 5 2HB ARG 5 8.845 -7.717 1.984 41 1HG ARG 5 1HG ARG 5 6.542 -8.404 3.564 42 2HG ARG 5 2HG ARG 5 7.968 -9.287 4.114 43 1HD ARG 5 1HD ARG 5 8.827 -6.666 3.610 44 2HD ARG 5 2HD ARG 5 7.290 -6.514 4.460 45 HE ARG 5 HE ARG 5 9.649 -7.953 5.484 46 1HH1 ARG 5 1HH1 ARG 5 6.652 -6.245 5.982 47 2HH1 ARG 5 2HH1 ARG 5 6.797 -6.232 7.707 48 1HH2 ARG 5 1HH2 ARG 5 9.848 -7.940 7.755 49 2HH2 ARG 5 2HH2 ARG 5 8.614 -7.196 8.716 50 H CYS 6 H CYS 6 8.128 -10.392 0.032 51 HA CYS 6 HA CYS 6 9.144 -8.954 -2.256 52 1HB CYS 6 1HB CYS 6 9.319 -11.924 -1.839 53 2HB CYS 6 2HB CYS 6 10.354 -10.879 -2.805 54 H GLU 7 H GLU 7 6.646 -11.362 -1.584 55 HA GLU 7 HA GLU 7 5.977 -12.192 -4.113 56 1HB GLU 7 1HB GLU 7 4.519 -11.822 -1.591 57 2HB GLU 7 2HB GLU 7 3.492 -11.715 -3.014 58 1HG GLU 7 1HG GLU 7 3.816 -13.901 -3.587 59 2HG GLU 7 2HG GLU 7 5.398 -13.984 -2.815 60 H LEU 8 H LEU 8 4.863 -9.278 -2.461 61 HA LEU 8 HA LEU 8 3.483 -8.167 -4.654 62 1HB LEU 8 1HB LEU 8 3.099 -7.499 -2.318 63 2HB LEU 8 2HB LEU 8 4.708 -6.812 -2.247 64 HG LEU 8 HG LEU 8 2.613 -5.282 -2.606 65 1HD1 LEU 8 1HD1 LEU 8 5.267 -5.069 -3.981 66 2HD1 LEU 8 2HD1 LEU 8 4.072 -3.775 -4.058 67 3HD1 LEU 8 3HD1 LEU 8 4.720 -4.286 -2.498 68 1HD2 LEU 8 1HD2 LEU 8 2.024 -6.721 -4.686 69 2HD2 LEU 8 2HD2 LEU 8 1.837 -4.969 -4.757 70 3HD2 LEU 8 3HD2 LEU 8 3.244 -5.735 -5.491 71 H ALA 9 H ALA 9 6.824 -7.812 -3.465 72 HA ALA 9 HA ALA 9 7.571 -5.728 -5.207 73 1HB ALA 9 1HB ALA 9 8.825 -6.580 -3.174 74 2HB ALA 9 2HB ALA 9 9.482 -7.821 -4.241 75 3HB ALA 9 3HB ALA 9 9.784 -6.117 -4.580 76 H ALA 10 H ALA 10 8.076 -9.251 -5.554 77 HA ALA 10 HA ALA 10 9.338 -9.271 -7.996 78 1HB ALA 10 1HB ALA 10 8.770 -11.528 -8.164 79 2HB ALA 10 2HB ALA 10 7.226 -11.300 -7.340 80 3HB ALA 10 3HB ALA 10 8.733 -11.231 -6.426 81 H ALA 11 H ALA 11 5.920 -8.932 -7.217 82 HA ALA 11 HA ALA 11 4.970 -9.073 -9.863 83 1HB ALA 11 1HB ALA 11 3.792 -7.817 -7.407 84 2HB ALA 11 2HB ALA 11 3.403 -9.393 -8.096 85 3HB ALA 11 3HB ALA 11 2.942 -7.920 -8.949 86 H MET 12 H MET 12 6.171 -6.549 -7.896 87 HA MET 12 HA MET 12 5.480 -4.331 -9.505 88 1HB MET 12 1HB MET 12 8.031 -4.425 -7.932 89 2HB MET 12 2HB MET 12 6.989 -3.058 -8.230 90 1HG MET 12 1HG MET 12 6.198 -5.392 -6.531 91 2HG MET 12 2HG MET 12 6.934 -3.920 -5.903 92 1HE MET 12 1HE MET 12 6.032 -1.911 -7.710 93 2HE MET 12 2HE MET 12 4.317 -1.508 -7.779 94 3HE MET 12 3HE MET 12 5.222 -1.254 -6.288 95 H LYS 13 H LYS 13 8.471 -6.240 -9.336 96 HA LYS 13 HA LYS 13 9.965 -4.945 -11.260 97 1HB LYS 13 1HB LYS 13 10.576 -6.950 -9.737 98 2HB LYS 13 2HB LYS 13 9.958 -7.945 -11.048 99 1HG LYS 13 1HG LYS 13 11.592 -6.496 -12.499 100 2HG LYS 13 2HG LYS 13 12.389 -6.237 -10.945 101 1HD LYS 13 1HD LYS 13 13.079 -8.394 -10.788 102 2HD LYS 13 2HD LYS 13 11.649 -9.024 -11.608 103 1HE LYS 13 1HE LYS 13 12.522 -8.575 -13.727 104 2HE LYS 13 2HE LYS 13 13.721 -7.448 -13.094 105 1HZ LYS 13 1HZ LYS 13 14.186 -9.926 -11.909 106 2HZ LYS 13 2HZ LYS 13 13.989 -10.204 -13.566 107 3HZ LYS 13 3HZ LYS 13 15.160 -9.110 -13.025 108 H ARG 14 H ARG 14 7.687 -7.632 -11.703 109 HA ARG 14 HA ARG 14 7.943 -7.801 -14.498 110 1HB ARG 14 1HB ARG 14 6.317 -8.991 -12.444 111 2HB ARG 14 2HB ARG 14 5.304 -8.540 -13.808 112 1HG ARG 14 1HG ARG 14 6.850 -9.785 -15.298 113 2HG ARG 14 2HG ARG 14 7.727 -10.325 -13.865 114 1HD ARG 14 1HD ARG 14 4.946 -10.812 -13.479 115 2HD ARG 14 2HD ARG 14 5.420 -11.459 -15.048 116 HE ARG 14 HE ARG 14 6.224 -12.420 -12.453 117 1HH1 ARG 14 1HH1 ARG 14 6.976 -12.329 -15.854 118 2HH1 ARG 14 2HH1 ARG 14 7.925 -13.777 -15.814 119 1HH2 ARG 14 1HH2 ARG 14 7.472 -14.327 -12.390 120 2HH2 ARG 14 2HH2 ARG 14 8.206 -14.913 -13.846 121 H HIS 15 H HIS 15 5.889 -5.850 -12.391 122 HA HIS 15 HA HIS 15 4.289 -4.828 -14.510 123 1HB HIS 15 1HB HIS 15 4.594 -4.297 -11.595 124 2HB HIS 15 2HB HIS 15 3.802 -3.072 -12.579 125 HD1 HIS 15 HD1 HIS 15 2.400 -4.843 -10.353 126 HD2 HIS 15 HD2 HIS 15 2.227 -5.476 -14.456 127 HE1 HIS 15 HE1 HIS 15 0.297 -6.162 -10.741 128 HE2 HIS 15 HE2 HIS 15 0.259 -6.611 -13.220 129 H GLY 16 H GLY 16 7.506 -4.215 -13.804 130 1HA GLY 16 1HA GLY 16 7.522 -1.990 -15.542 131 2HA GLY 16 2HA GLY 16 8.898 -2.687 -14.716 132 H LEU 17 H LEU 17 7.528 -2.144 -11.985 133 HA LEU 17 HA LEU 17 7.536 0.759 -12.057 134 1HB LEU 17 1HB LEU 17 7.335 -0.858 -9.548 135 2HB LEU 17 2HB LEU 17 6.702 0.742 -9.871 136 HG LEU 17 HG LEU 17 5.524 -1.905 -10.397 137 1HD1 LEU 17 1HD1 LEU 17 4.877 0.118 -8.797 138 2HD1 LEU 17 2HD1 LEU 17 3.973 0.617 -10.227 139 3HD1 LEU 17 3HD1 LEU 17 3.664 -0.956 -9.492 140 1HD2 LEU 17 1HD2 LEU 17 5.262 0.374 -12.353 141 2HD2 LEU 17 2HD2 LEU 17 5.715 -1.298 -12.687 142 3HD2 LEU 17 3HD2 LEU 17 4.064 -0.912 -12.206 143 H ASP 18 H ASP 18 9.806 -1.487 -12.007 144 HA ASP 18 HA ASP 18 11.553 -0.516 -9.970 145 1HB ASP 18 1HB ASP 18 12.118 -2.674 -10.462 146 2HB ASP 18 2HB ASP 18 11.746 -2.504 -12.167 147 H ASN 19 H ASN 19 11.785 1.641 -10.212 148 HA ASN 19 HA ASN 19 12.734 3.588 -10.862 149 1HB ASN 19 1HB ASN 19 14.682 1.772 -11.272 150 2HB ASN 19 2HB ASN 19 14.464 2.335 -12.926 151 2HD2 ASN 19 2HD2 ASN 19 16.435 2.709 -10.512 152 1HD2 ASN 19 1HD2 ASN 19 16.805 4.394 -10.606 153 H TYR 20 H TYR 20 10.387 2.713 -12.120 154 HA TYR 20 HA TYR 20 10.481 3.201 -14.925 155 1HB TYR 20 1HB TYR 20 8.584 2.055 -13.719 156 2HB TYR 20 2HB TYR 20 8.136 3.618 -13.048 157 HD1 TYR 20 HD1 TYR 20 8.744 1.970 -16.345 158 HD2 TYR 20 HD2 TYR 20 6.558 4.893 -14.160 159 HE1 TYR 20 HE1 TYR 20 7.370 2.421 -18.334 160 HE2 TYR 20 HE2 TYR 20 5.177 5.352 -16.141 161 HH TYR 20 HH TYR 20 4.898 3.392 -18.682 162 H ARG 21 H ARG 21 9.246 5.219 -15.824 163 HA ARG 21 HA ARG 21 10.548 7.463 -15.735 164 1HB ARG 21 1HB ARG 21 7.788 6.872 -16.180 165 2HB ARG 21 2HB ARG 21 7.895 8.399 -15.315 166 1HG ARG 21 1HG ARG 21 9.595 7.908 -17.723 167 2HG ARG 21 2HG ARG 21 7.909 8.398 -17.897 168 1HD ARG 21 1HD ARG 21 10.092 9.884 -16.441 169 2HD ARG 21 2HD ARG 21 9.321 10.351 -17.956 170 HE ARG 21 HE ARG 21 7.763 10.160 -15.470 171 1HH1 ARG 21 1HH1 ARG 21 8.923 11.982 -18.203 172 2HH1 ARG 21 2HH1 ARG 21 7.895 13.342 -17.897 173 1HH2 ARG 21 1HH2 ARG 21 6.405 11.945 -15.059 174 2HH2 ARG 21 2HH2 ARG 21 6.464 13.322 -16.109 175 H GLY 22 H GLY 22 8.386 6.465 -13.161 176 1HA GLY 22 1HA GLY 22 7.984 7.340 -11.063 177 2HA GLY 22 2HA GLY 22 8.882 8.777 -11.525 178 H TYR 23 H TYR 23 8.948 5.837 -9.790 179 HA TYR 23 HA TYR 23 11.834 6.181 -9.322 180 1HB TYR 23 1HB TYR 23 9.610 6.038 -7.333 181 2HB TYR 23 2HB TYR 23 11.219 5.488 -6.884 182 HD1 TYR 23 HD1 TYR 23 9.552 8.426 -8.481 183 HD2 TYR 23 HD2 TYR 23 12.670 7.029 -5.948 184 HE1 TYR 23 HE1 TYR 23 10.198 10.749 -8.010 185 HE2 TYR 23 HE2 TYR 23 13.326 9.349 -5.469 186 HH TYR 23 HH TYR 23 11.383 12.013 -6.263 187 H SER 24 H SER 24 12.586 4.368 -7.706 188 HA SER 24 HA SER 24 12.420 1.943 -9.211 189 1HB SER 24 1HB SER 24 14.207 1.158 -7.828 190 2HB SER 24 2HB SER 24 14.531 2.852 -8.197 191 HG SER 24 HG SER 24 14.826 2.730 -6.051 192 H LEU 25 H LEU 25 12.138 -0.142 -8.224 193 HA LEU 25 HA LEU 25 9.674 -0.652 -7.241 194 1HB LEU 25 1HB LEU 25 12.251 -2.148 -6.857 195 2HB LEU 25 2HB LEU 25 10.733 -2.774 -6.246 196 HG LEU 25 HG LEU 25 11.642 -2.456 -9.073 197 1HD1 LEU 25 1HD1 LEU 25 11.326 -4.586 -7.287 198 2HD1 LEU 25 2HD1 LEU 25 10.019 -4.740 -8.461 199 3HD1 LEU 25 3HD1 LEU 25 11.694 -4.669 -9.010 200 1HD2 LEU 25 1HD2 LEU 25 8.810 -2.419 -8.087 201 2HD2 LEU 25 2HD2 LEU 25 9.584 -1.366 -9.270 202 3HD2 LEU 25 3HD2 LEU 25 9.228 -3.043 -9.682 203 H GLY 26 H GLY 26 12.591 -0.409 -5.177 204 1HA GLY 26 1HA GLY 26 12.802 0.352 -3.015 205 2HA GLY 26 2HA GLY 26 11.560 -0.849 -2.714 206 H ASN 27 H ASN 27 11.175 2.146 -4.551 207 HA ASN 27 HA ASN 27 9.997 3.618 -2.423 208 1HB ASN 27 1HB ASN 27 9.601 4.110 -5.375 209 2HB ASN 27 2HB ASN 27 9.477 5.281 -4.066 210 2HD2 ASN 27 2HD2 ASN 27 11.413 5.865 -2.940 211 1HD2 ASN 27 1HD2 ASN 27 12.940 5.778 -3.744 212 H TRP 28 H TRP 28 8.749 1.542 -4.941 213 HA TRP 28 HA TRP 28 5.993 2.147 -4.564 214 1HB TRP 28 1HB TRP 28 7.339 -0.244 -5.810 215 2HB TRP 28 2HB TRP 28 5.614 0.109 -5.902 216 HD1 TRP 28 HD1 TRP 28 8.931 1.070 -7.395 217 HE1 TRP 28 HE1 TRP 28 8.559 2.733 -9.313 218 HE3 TRP 28 HE3 TRP 28 3.971 1.994 -6.677 219 HZ2 TRP 28 HZ2 TRP 28 6.426 4.239 -10.401 220 HZ3 TRP 28 HZ3 TRP 28 2.814 3.546 -8.188 221 HH2 TRP 28 HH2 TRP 28 4.021 4.653 -10.021 222 H VAL 29 H VAL 29 8.125 -0.442 -3.383 223 HA VAL 29 HA VAL 29 6.113 -1.859 -2.015 224 HB VAL 29 HB VAL 29 9.094 -1.780 -1.534 225 1HG1 VAL 29 1HG1 VAL 29 6.942 -3.576 -0.467 226 2HG1 VAL 29 2HG1 VAL 29 8.620 -4.106 -0.580 227 3HG1 VAL 29 3HG1 VAL 29 8.201 -2.710 0.413 228 1HG2 VAL 29 1HG2 VAL 29 7.723 -2.686 -3.752 229 2HG2 VAL 29 2HG2 VAL 29 9.363 -3.134 -3.282 230 3HG2 VAL 29 3HG2 VAL 29 8.001 -4.149 -2.808 231 H CYS 30 H CYS 30 8.545 0.462 -0.913 232 HA CYS 30 HA CYS 30 7.868 0.477 1.785 233 1HB CYS 30 1HB CYS 30 9.887 1.515 0.640 234 2HB CYS 30 2HB CYS 30 8.846 2.877 0.245 235 H ALA 31 H ALA 31 6.710 2.574 -0.849 236 HA ALA 31 HA ALA 31 5.018 4.173 0.726 237 1HB ALA 31 1HB ALA 31 5.841 4.567 -1.663 238 2HB ALA 31 2HB ALA 31 4.189 5.050 -1.275 239 3HB ALA 31 3HB ALA 31 4.486 3.553 -2.159 240 H ALA 32 H ALA 32 4.348 1.243 -1.165 241 HA ALA 32 HA ALA 32 1.569 1.193 -0.608 242 1HB ALA 32 1HB ALA 32 2.052 -0.058 -2.457 243 2HB ALA 32 2HB ALA 32 1.965 -1.332 -1.241 244 3HB ALA 32 3HB ALA 32 3.533 -0.717 -1.763 245 H LYS 33 H LYS 33 4.314 -0.583 0.809 246 HA LYS 33 HA LYS 33 3.062 -2.248 2.545 247 1HB LYS 33 1HB LYS 33 5.487 -2.183 2.233 248 2HB LYS 33 2HB LYS 33 5.564 -0.641 3.072 249 1HG LYS 33 1HG LYS 33 4.230 -2.532 4.738 250 2HG LYS 33 2HG LYS 33 5.745 -3.231 4.161 251 1HD LYS 33 1HD LYS 33 6.759 -0.934 4.821 252 2HD LYS 33 2HD LYS 33 5.300 -0.764 5.798 253 1HE LYS 33 1HE LYS 33 6.614 -3.357 6.087 254 2HE LYS 33 2HE LYS 33 7.619 -1.997 6.588 255 1HZ LYS 33 1HZ LYS 33 4.829 -2.234 7.517 256 2HZ LYS 33 2HZ LYS 33 6.073 -3.069 8.302 257 3HZ LYS 33 3HZ LYS 33 6.110 -1.379 8.215 258 H PHE 34 H PHE 34 4.133 1.050 3.370 259 HA PHE 34 HA PHE 34 2.732 0.965 5.840 260 1HB PHE 34 1HB PHE 34 4.405 2.894 4.457 261 2HB PHE 34 2HB PHE 34 3.282 3.567 5.620 262 HD1 PHE 34 HD1 PHE 34 3.294 2.393 7.960 263 HD2 PHE 34 HD2 PHE 34 6.481 2.188 5.147 264 HE1 PHE 34 HE1 PHE 34 4.851 1.812 9.774 265 HE2 PHE 34 HE2 PHE 34 8.045 1.606 6.956 266 HZ PHE 34 HZ PHE 34 7.231 1.417 9.272 267 H GLU 35 H GLU 35 1.823 1.819 2.660 268 HA GLU 35 HA GLU 35 -0.191 3.691 3.250 269 1HB GLU 35 1HB GLU 35 0.916 2.422 0.983 270 2HB GLU 35 2HB GLU 35 -0.813 2.115 0.936 271 1HG GLU 35 1HG GLU 35 -1.289 4.467 1.014 272 2HG GLU 35 2HG GLU 35 0.418 4.842 1.245 273 H SER 36 H SER 36 -0.427 0.239 2.440 274 HA SER 36 HA SER 36 -2.969 0.130 3.936 275 1HB SER 36 1HB SER 36 -3.689 -1.535 2.107 276 2HB SER 36 2HB SER 36 -3.653 0.171 1.668 277 HG SER 36 HG SER 36 -1.364 -1.390 1.266 278 H ASN 37 H ASN 37 0.019 -0.898 4.155 279 HA ASN 37 HA ASN 37 1.069 -2.710 5.074 280 1HB ASN 37 1HB ASN 37 -1.374 -2.466 6.425 281 2HB ASN 37 2HB ASN 37 -1.257 -4.174 6.012 282 2HD2 ASN 37 2HD2 ASN 37 0.079 -5.448 7.139 283 1HD2 ASN 37 1HD2 ASN 37 1.136 -4.902 8.393 284 H PHE 38 H PHE 38 0.033 -2.736 2.376 285 HA PHE 38 HA PHE 38 0.071 -4.030 0.569 286 1HB PHE 38 1HB PHE 38 0.890 -6.137 2.564 287 2HB PHE 38 2HB PHE 38 0.756 -6.452 0.837 288 HD1 PHE 38 HD1 PHE 38 1.867 -4.216 -0.477 289 HD2 PHE 38 HD2 PHE 38 3.102 -5.995 3.182 290 HE1 PHE 38 HE1 PHE 38 4.130 -3.330 -0.824 291 HE2 PHE 38 HE2 PHE 38 5.372 -5.108 2.846 292 HZ PHE 38 HZ PHE 38 5.893 -3.782 0.838 293 H ASN 39 H ASN 39 -2.344 -3.649 2.283 294 HA ASN 39 HA ASN 39 -3.893 -6.050 1.887 295 1HB ASN 39 1HB ASN 39 -4.258 -4.419 3.781 296 2HB ASN 39 2HB ASN 39 -4.920 -3.297 2.597 297 2HD2 ASN 39 2HD2 ASN 39 -5.375 -6.732 2.314 298 1HD2 ASN 39 1HD2 ASN 39 -7.059 -6.743 2.700 299 H THR 40 H THR 40 -4.413 -6.607 -0.108 300 HA THR 40 HA THR 40 -4.590 -4.797 -2.285 301 HB THR 40 HB THR 40 -4.862 -6.647 -3.615 302 HG1 THR 40 HG1 THR 40 -6.096 -8.503 -2.898 303 1HG2 THR 40 1HG2 THR 40 -3.943 -7.889 -1.024 304 2HG2 THR 40 2HG2 THR 40 -3.772 -8.621 -2.619 305 3HG2 THR 40 3HG2 THR 40 -2.920 -7.124 -2.240 306 H GLN 41 H GLN 41 -6.798 -6.214 -0.058 307 HA GLN 41 HA GLN 41 -9.157 -5.239 -1.432 308 1HB GLN 41 1HB GLN 41 -8.544 -7.064 0.817 309 2HB GLN 41 2HB GLN 41 -10.072 -6.222 0.888 310 1HG GLN 41 1HG GLN 41 -9.614 -7.351 -1.727 311 2HG GLN 41 2HG GLN 41 -9.520 -8.574 -0.461 312 2HE2 GLN 41 2HE2 GLN 41 -11.464 -9.086 -2.015 313 1HE2 GLN 41 1HE2 GLN 41 -13.001 -8.572 -1.417 314 H ALA 42 H ALA 42 -6.913 -3.702 0.217 315 HA ALA 42 HA ALA 42 -8.192 -2.427 2.358 316 1HB ALA 42 1HB ALA 42 -5.924 -2.145 2.419 317 2HB ALA 42 2HB ALA 42 -6.427 -0.581 1.780 318 3HB ALA 42 3HB ALA 42 -5.805 -1.820 0.690 319 H THR 43 H THR 43 -9.894 -1.165 2.345 320 HA THR 43 HA THR 43 -10.189 0.875 0.251 321 HB THR 43 HB THR 43 -12.540 0.477 0.019 322 HG1 THR 43 HG1 THR 43 -13.674 -0.669 1.427 323 1HG2 THR 43 1HG2 THR 43 -10.830 -1.112 -1.121 324 2HG2 THR 43 2HG2 THR 43 -11.476 -2.323 -0.013 325 3HG2 THR 43 3HG2 THR 43 -12.545 -1.522 -1.165 326 H ASN 44 H ASN 44 -10.297 2.837 1.269 327 HA ASN 44 HA ASN 44 -11.657 2.972 3.864 328 1HB ASN 44 1HB ASN 44 -9.047 2.815 3.969 329 2HB ASN 44 2HB ASN 44 -9.113 4.506 3.479 330 2HD2 ASN 44 2HD2 ASN 44 -8.556 2.808 6.044 331 1HD2 ASN 44 1HD2 ASN 44 -9.348 3.730 7.272 332 H ARG 45 H ARG 45 -13.193 4.434 3.760 333 HA ARG 45 HA ARG 45 -13.222 6.447 1.698 334 1HB ARG 45 1HB ARG 45 -15.237 5.146 2.631 335 2HB ARG 45 2HB ARG 45 -15.168 6.262 3.987 336 1HG ARG 45 1HG ARG 45 -15.429 8.143 2.418 337 2HG ARG 45 2HG ARG 45 -15.583 6.985 1.095 338 1HD ARG 45 1HD ARG 45 -17.377 6.274 3.210 339 2HD ARG 45 2HD ARG 45 -17.609 7.970 2.787 340 HE ARG 45 HE ARG 45 -18.133 5.658 1.109 341 1HH1 ARG 45 1HH1 ARG 45 -17.814 9.120 1.336 342 2HH1 ARG 45 2HH1 ARG 45 -18.701 9.427 -0.120 343 1HH2 ARG 45 1HH2 ARG 45 -19.302 6.051 -0.808 344 2HH2 ARG 45 2HH2 ARG 45 -19.547 7.682 -1.339 345 H ASN 46 H ASN 46 -13.269 8.688 2.002 346 HA ASN 46 HA ASN 46 -12.016 9.591 4.511 347 1HB ASN 46 1HB ASN 46 -11.914 11.109 1.916 348 2HB ASN 46 2HB ASN 46 -10.853 11.251 3.314 349 2HD2 ASN 46 2HD2 ASN 46 -9.842 8.978 3.861 350 1HD2 ASN 46 1HD2 ASN 46 -9.084 8.208 2.513 351 H THR 47 H THR 47 -12.380 12.099 4.729 352 HA THR 47 HA THR 47 -15.240 12.424 5.037 353 HB THR 47 HB THR 47 -14.642 14.550 6.186 354 HG1 THR 47 HG1 THR 47 -11.939 13.804 6.159 355 1HG2 THR 47 1HG2 THR 47 -13.325 11.987 7.057 356 2HG2 THR 47 2HG2 THR 47 -13.340 13.432 8.067 357 3HG2 THR 47 3HG2 THR 47 -14.859 12.668 7.599 358 H ASP 48 H ASP 48 -12.702 13.602 2.965 359 HA ASP 48 HA ASP 48 -14.088 15.878 1.968 360 1HB ASP 48 1HB ASP 48 -12.398 15.725 0.094 361 2HB ASP 48 2HB ASP 48 -11.723 15.852 1.715 362 H GLY 49 H GLY 49 -14.495 12.556 1.485 363 1HA GLY 49 1HA GLY 49 -16.141 13.104 -0.907 364 2HA GLY 49 2HA GLY 49 -16.555 11.918 0.320 365 H SER 50 H SER 50 -13.259 12.197 -0.751 366 HA SER 50 HA SER 50 -13.482 10.202 -2.800 367 1HB SER 50 1HB SER 50 -10.841 10.260 -2.379 368 2HB SER 50 2HB SER 50 -11.675 11.516 -3.292 369 HG SER 50 HG SER 50 -10.846 11.580 -0.587 370 H THR 51 H THR 51 -11.574 8.422 -2.551 371 HA THR 51 HA THR 51 -11.485 7.182 0.045 372 HB THR 51 HB THR 51 -12.984 5.755 -2.159 373 HG1 THR 51 HG1 THR 51 -13.933 6.918 0.267 374 1HG2 THR 51 1HG2 THR 51 -11.631 4.352 -0.568 375 2HG2 THR 51 2HG2 THR 51 -12.659 4.959 0.729 376 3HG2 THR 51 3HG2 THR 51 -13.361 4.010 -0.580 377 H ASP 52 H ASP 52 -10.044 5.339 0.101 378 HA ASP 52 HA ASP 52 -8.259 5.216 -2.235 379 1HB ASP 52 1HB ASP 52 -7.441 4.161 0.431 380 2HB ASP 52 2HB ASP 52 -6.467 4.936 -0.815 381 H TYR 53 H TYR 53 -9.097 3.620 -3.448 382 HA TYR 53 HA TYR 53 -9.747 1.100 -2.124 383 1HB TYR 53 1HB TYR 53 -10.354 2.074 -4.915 384 2HB TYR 53 2HB TYR 53 -10.744 0.467 -4.312 385 HD1 TYR 53 HD1 TYR 53 -12.215 0.381 -2.162 386 HD2 TYR 53 HD2 TYR 53 -11.925 3.769 -4.716 387 HE1 TYR 53 HE1 TYR 53 -14.369 1.201 -1.307 388 HE2 TYR 53 HE2 TYR 53 -14.078 4.602 -3.866 389 HH TYR 53 HH TYR 53 -15.954 2.749 -1.489 390 H GLY 54 H GLY 54 -7.516 0.605 -1.777 391 1HA GLY 54 1HA GLY 54 -5.923 0.007 -4.150 392 2HA GLY 54 2HA GLY 54 -6.521 -1.405 -3.309 393 H ILE 55 H ILE 55 -4.163 -1.729 -3.465 394 HA ILE 55 HA ILE 55 -2.972 -1.379 -0.880 395 HB ILE 55 HB ILE 55 -2.602 -3.407 -2.338 396 1HG1 ILE 55 1HG1 ILE 55 -0.123 -1.857 -1.541 397 2HG1 ILE 55 2HG1 ILE 55 -1.071 -2.906 -0.491 398 1HG2 ILE 55 1HG2 ILE 55 -1.977 -1.464 -4.255 399 2HG2 ILE 55 2HG2 ILE 55 -0.463 -2.297 -3.909 400 3HG2 ILE 55 3HG2 ILE 55 -1.875 -3.216 -4.430 401 1HD1 ILE 55 1HD1 ILE 55 -0.414 -4.505 -2.658 402 2HD1 ILE 55 2HD1 ILE 55 1.042 -3.565 -2.333 403 3HD1 ILE 55 3HD1 ILE 55 0.315 -4.537 -1.053 404 H LEU 56 H LEU 56 -3.058 0.303 -3.841 405 HA LEU 56 HA LEU 56 -0.822 2.028 -3.031 406 1HB LEU 56 1HB LEU 56 -1.397 0.814 -5.543 407 2HB LEU 56 2HB LEU 56 -1.640 2.540 -5.728 408 HG LEU 56 HG LEU 56 0.589 2.310 -6.337 409 1HD1 LEU 56 1HD1 LEU 56 0.105 3.721 -4.109 410 2HD1 LEU 56 2HD1 LEU 56 1.294 2.580 -3.480 411 3HD1 LEU 56 3HD1 LEU 56 1.697 3.605 -4.858 412 1HD2 LEU 56 1HD2 LEU 56 0.680 0.150 -4.254 413 2HD2 LEU 56 2HD2 LEU 56 1.026 0.049 -5.981 414 3HD2 LEU 56 3HD2 LEU 56 2.158 0.863 -4.901 415 H GLN 57 H GLN 57 -4.001 1.771 -2.753 416 HA GLN 57 HA GLN 57 -5.669 3.191 -2.245 417 1HB GLN 57 1HB GLN 57 -3.453 5.227 -2.424 418 2HB GLN 57 2HB GLN 57 -5.097 5.629 -1.944 419 1HG GLN 57 1HG GLN 57 -4.844 3.890 -0.124 420 2HG GLN 57 2HG GLN 57 -3.126 3.869 -0.522 421 2HE2 GLN 57 2HE2 GLN 57 -5.183 6.701 -0.644 422 1HE2 GLN 57 1HE2 GLN 57 -4.425 7.544 0.659 423 H ILE 58 H ILE 58 -6.464 2.478 -4.469 424 HA ILE 58 HA ILE 58 -6.151 4.426 -6.569 425 HB ILE 58 HB ILE 58 -8.169 2.194 -6.542 426 1HG1 ILE 58 1HG1 ILE 58 -6.150 1.071 -5.969 427 2HG1 ILE 58 2HG1 ILE 58 -6.362 0.839 -7.701 428 1HG2 ILE 58 1HG2 ILE 58 -8.032 4.062 -8.323 429 2HG2 ILE 58 2HG2 ILE 58 -6.612 3.186 -8.895 430 3HG2 ILE 58 3HG2 ILE 58 -8.183 2.386 -8.851 431 1HD1 ILE 58 1HD1 ILE 58 -4.530 2.841 -6.397 432 2HD1 ILE 58 2HD1 ILE 58 -4.049 1.319 -7.146 433 3HD1 ILE 58 3HD1 ILE 58 -4.738 2.608 -8.133 434 H ASN 59 H ASN 59 -7.076 6.352 -6.077 435 HA ASN 59 HA ASN 59 -9.497 6.597 -4.630 436 1HB ASN 59 1HB ASN 59 -7.751 8.352 -4.716 437 2HB ASN 59 2HB ASN 59 -8.121 8.615 -6.418 438 2HD2 ASN 59 2HD2 ASN 59 -8.319 10.806 -5.178 439 1HD2 ASN 59 1HD2 ASN 59 -9.933 11.234 -4.733 440 H SER 60 H SER 60 -11.174 5.501 -5.573 441 HA SER 60 HA SER 60 -11.729 5.500 -8.341 442 1HB SER 60 1HB SER 60 -13.610 4.253 -7.813 443 2HB SER 60 2HB SER 60 -12.595 3.952 -6.404 444 HG SER 60 HG SER 60 -13.766 5.849 -5.486 445 H ARG 61 H ARG 61 -12.086 7.959 -6.046 446 HA ARG 61 HA ARG 61 -14.282 9.237 -7.512 447 1HB ARG 61 1HB ARG 61 -13.998 9.057 -4.875 448 2HB ARG 61 2HB ARG 61 -13.014 10.493 -5.118 449 1HG ARG 61 1HG ARG 61 -15.599 10.582 -6.481 450 2HG ARG 61 2HG ARG 61 -15.709 10.472 -4.724 451 1HD ARG 61 1HD ARG 61 -13.873 12.444 -6.037 452 2HD ARG 61 2HD ARG 61 -15.585 12.805 -5.823 453 HE ARG 61 HE ARG 61 -14.947 12.147 -3.350 454 1HH1 ARG 61 1HH1 ARG 61 -13.173 14.092 -5.632 455 2HH1 ARG 61 2HH1 ARG 61 -12.430 15.073 -4.413 456 1HH2 ARG 61 1HH2 ARG 61 -13.975 13.435 -1.739 457 2HH2 ARG 61 2HH2 ARG 61 -12.884 14.699 -2.201 458 H TRP 62 H TRP 62 -11.424 8.899 -8.358 459 HA TRP 62 HA TRP 62 -11.094 11.533 -9.460 460 1HB TRP 62 1HB TRP 62 -9.725 10.904 -7.043 461 2HB TRP 62 2HB TRP 62 -8.534 11.030 -8.333 462 HD1 TRP 62 HD1 TRP 62 -11.117 13.120 -6.428 463 HE1 TRP 62 HE1 TRP 62 -10.622 15.612 -6.840 464 HE3 TRP 62 HE3 TRP 62 -7.478 12.647 -9.987 465 HZ2 TRP 62 HZ2 TRP 62 -8.914 17.171 -8.459 466 HZ3 TRP 62 HZ3 TRP 62 -6.464 14.688 -10.916 467 HH2 TRP 62 HH2 TRP 62 -7.168 16.902 -10.166 468 H TRP 63 H TRP 63 -10.393 8.185 -9.453 469 HA TRP 63 HA TRP 63 -8.791 8.549 -11.888 470 1HB TRP 63 1HB TRP 63 -8.335 6.568 -9.653 471 2HB TRP 63 2HB TRP 63 -7.561 6.449 -11.230 472 HD1 TRP 63 HD1 TRP 63 -6.533 7.421 -8.005 473 HE1 TRP 63 HE1 TRP 63 -4.779 9.313 -8.033 474 HE3 TRP 63 HE3 TRP 63 -7.236 9.076 -12.758 475 HZ2 TRP 63 HZ2 TRP 63 -3.835 11.272 -9.862 476 HZ3 TRP 63 HZ3 TRP 63 -5.925 10.956 -13.583 477 HH2 TRP 63 HH2 TRP 63 -4.234 12.039 -12.168 478 H CYS 64 H CYS 64 -10.051 5.712 -10.216 479 HA CYS 64 HA CYS 64 -11.119 4.763 -12.756 480 1HB CYS 64 1HB CYS 64 -11.145 2.607 -11.841 481 2HB CYS 64 2HB CYS 64 -9.735 3.346 -11.092 482 H ASN 65 H ASN 65 -13.187 3.821 -12.961 483 HA ASN 65 HA ASN 65 -15.221 5.362 -11.527 484 1HB ASN 65 1HB ASN 65 -15.010 5.019 -14.141 485 2HB ASN 65 2HB ASN 65 -15.884 3.530 -13.795 486 2HD2 ASN 65 2HD2 ASN 65 -17.933 3.720 -12.681 487 1HD2 ASN 65 1HD2 ASN 65 -18.901 5.129 -12.928 488 H ASP 66 H ASP 66 -15.788 4.411 -9.671 489 HA ASP 66 HA ASP 66 -16.086 1.508 -9.557 490 1HB ASP 66 1HB ASP 66 -16.123 1.723 -7.182 491 2HB ASP 66 2HB ASP 66 -14.843 2.777 -7.774 492 H GLY 67 H GLY 67 -17.985 4.386 -9.718 493 1HA GLY 67 1HA GLY 67 -20.391 2.856 -10.039 494 2HA GLY 67 2HA GLY 67 -20.253 4.605 -10.097 495 H ARG 68 H ARG 68 -18.946 3.097 -7.307 496 HA ARG 68 HA ARG 68 -21.405 3.291 -5.781 497 1HB ARG 68 1HB ARG 68 -18.608 2.569 -4.887 498 2HB ARG 68 2HB ARG 68 -20.067 2.415 -3.919 499 1HG ARG 68 1HG ARG 68 -20.810 0.952 -6.022 500 2HG ARG 68 2HG ARG 68 -19.063 0.725 -6.123 501 1HD ARG 68 1HD ARG 68 -20.713 0.255 -3.644 502 2HD ARG 68 2HD ARG 68 -20.225 -1.008 -4.773 503 HE ARG 68 HE ARG 68 -17.952 0.411 -3.915 504 1HH1 ARG 68 1HH1 ARG 68 -20.328 -1.848 -2.734 505 2HH1 ARG 68 2HH1 ARG 68 -19.264 -2.551 -1.562 506 1HH2 ARG 68 1HH2 ARG 68 -16.544 -0.511 -2.376 507 2HH2 ARG 68 2HH2 ARG 68 -17.113 -1.791 -1.358 508 H THR 69 H THR 69 -19.030 5.406 -6.733 509 HA THR 69 HA THR 69 -19.605 7.189 -4.460 510 HB THR 69 HB THR 69 -17.006 7.319 -5.970 511 HG1 THR 69 HG1 THR 69 -16.346 5.604 -4.936 512 1HG2 THR 69 1HG2 THR 69 -18.021 8.356 -3.333 513 2HG2 THR 69 2HG2 THR 69 -16.302 8.300 -3.725 514 3HG2 THR 69 3HG2 THR 69 -17.400 9.273 -4.705 515 HA PRO 70 HA PRO 70 -21.161 9.411 -8.122 516 1HB PRO 70 1HB PRO 70 -22.652 11.180 -6.677 517 2HB PRO 70 2HB PRO 70 -23.216 9.564 -7.119 518 1HG PRO 70 1HG PRO 70 -22.039 10.522 -4.538 519 2HG PRO 70 2HG PRO 70 -23.424 9.447 -4.807 520 1HD PRO 70 1HD PRO 70 -20.989 8.505 -4.131 521 2HD PRO 70 2HD PRO 70 -22.082 7.609 -5.207 522 H GLY 71 H GLY 71 -19.331 10.456 -8.821 523 1HA GLY 71 1HA GLY 71 -18.429 12.786 -7.257 524 2HA GLY 71 2HA GLY 71 -18.830 12.966 -8.959 525 H SER 72 H SER 72 -17.702 10.257 -9.536 526 HA SER 72 HA SER 72 -14.961 10.233 -8.843 527 1HB SER 72 1HB SER 72 -14.796 8.587 -10.771 528 2HB SER 72 2HB SER 72 -15.957 8.171 -9.512 529 HG SER 72 HG SER 72 -17.496 9.361 -10.988 530 H ARG 73 H ARG 73 -14.361 9.679 -11.883 531 HA ARG 73 HA ARG 73 -14.430 12.196 -13.165 532 1HB ARG 73 1HB ARG 73 -12.290 11.783 -11.290 533 2HB ARG 73 2HB ARG 73 -11.629 11.840 -12.919 534 1HG ARG 73 1HG ARG 73 -13.595 13.932 -12.294 535 2HG ARG 73 2HG ARG 73 -12.085 14.009 -11.383 536 1HD ARG 73 1HD ARG 73 -11.500 15.234 -13.221 537 2HD ARG 73 2HD ARG 73 -11.027 13.624 -13.766 538 HE ARG 73 HE ARG 73 -13.565 13.815 -14.642 539 1HH1 ARG 73 1HH1 ARG 73 -10.815 15.938 -14.917 540 2HH1 ARG 73 2HH1 ARG 73 -11.313 16.596 -16.439 541 1HH2 ARG 73 1HH2 ARG 73 -14.228 14.676 -16.647 542 2HH2 ARG 73 2HH2 ARG 73 -13.253 15.879 -17.422 543 H ASN 74 H ASN 74 -12.679 9.167 -12.748 544 HA ASN 74 HA ASN 74 -12.155 7.467 -14.172 545 1HB ASN 74 1HB ASN 74 -14.540 8.201 -15.090 546 2HB ASN 74 2HB ASN 74 -13.590 8.749 -16.468 547 2HD2 ASN 74 2HD2 ASN 74 -14.259 7.263 -17.924 548 1HD2 ASN 74 1HD2 ASN 74 -13.946 5.570 -17.789 549 H LEU 75 H LEU 75 -10.582 9.892 -13.914 550 HA LEU 75 HA LEU 75 -9.464 10.869 -16.257 551 1HB LEU 75 1HB LEU 75 -8.703 10.473 -13.433 552 2HB LEU 75 2HB LEU 75 -7.383 10.755 -14.543 553 HG LEU 75 HG LEU 75 -9.772 12.555 -14.052 554 1HD1 LEU 75 1HD1 LEU 75 -8.164 12.558 -12.217 555 2HD1 LEU 75 2HD1 LEU 75 -6.862 12.927 -13.348 556 3HD1 LEU 75 3HD1 LEU 75 -8.152 14.098 -13.077 557 1HD2 LEU 75 1HD2 LEU 75 -7.516 12.720 -16.020 558 2HD2 LEU 75 2HD2 LEU 75 -9.244 12.957 -16.281 559 3HD2 LEU 75 3HD2 LEU 75 -8.305 14.179 -15.423 560 H CYS 76 H CYS 76 -8.532 8.317 -14.167 561 HA CYS 76 HA CYS 76 -6.420 7.259 -15.737 562 1HB CYS 76 1HB CYS 76 -7.267 7.152 -13.166 563 2HB CYS 76 2HB CYS 76 -7.764 5.572 -13.754 564 H ASN 77 H ASN 77 -9.822 6.626 -15.296 565 HA ASN 77 HA ASN 77 -11.338 5.294 -16.360 566 1HB ASN 77 1HB ASN 77 -10.079 6.598 -18.312 567 2HB ASN 77 2HB ASN 77 -9.543 4.971 -18.722 568 2HD2 ASN 77 2HD2 ASN 77 -11.701 3.452 -18.148 569 1HD2 ASN 77 1HD2 ASN 77 -13.033 3.895 -19.154 570 H ILE 78 H ILE 78 -9.967 3.929 -14.583 571 HA ILE 78 HA ILE 78 -9.193 1.448 -15.934 572 HB ILE 78 HB ILE 78 -7.445 1.162 -14.572 573 1HG1 ILE 78 1HG1 ILE 78 -9.419 1.835 -12.486 574 2HG1 ILE 78 2HG1 ILE 78 -8.188 0.579 -12.505 575 1HG2 ILE 78 1HG2 ILE 78 -7.379 3.546 -15.369 576 2HG2 ILE 78 2HG2 ILE 78 -7.910 4.013 -13.754 577 3HG2 ILE 78 3HG2 ILE 78 -6.371 3.177 -13.968 578 1HD1 ILE 78 1HD1 ILE 78 -6.501 2.310 -11.949 579 2HD1 ILE 78 2HD1 ILE 78 -7.814 3.476 -11.793 580 3HD1 ILE 78 3HD1 ILE 78 -7.737 2.086 -10.711 581 HA PRO 79 HA PRO 79 -12.454 -0.572 -13.704 582 1HB PRO 79 1HB PRO 79 -11.621 -3.124 -13.733 583 2HB PRO 79 2HB PRO 79 -12.096 -2.297 -15.221 584 1HG PRO 79 1HG PRO 79 -9.364 -2.872 -14.162 585 2HG PRO 79 2HG PRO 79 -9.958 -2.938 -15.831 586 1HD PRO 79 1HD PRO 79 -8.520 -0.838 -14.744 587 2HD PRO 79 2HD PRO 79 -9.568 -0.717 -16.171 588 H CYS 80 H CYS 80 -12.664 -0.154 -11.562 589 HA CYS 80 HA CYS 80 -10.566 -0.329 -9.703 590 1HB CYS 80 1HB CYS 80 -13.450 -0.435 -8.889 591 2HB CYS 80 2HB CYS 80 -12.107 0.391 -8.106 592 H SER 81 H SER 81 -13.523 -2.348 -9.830 593 HA SER 81 HA SER 81 -12.756 -4.206 -7.936 594 1HB SER 81 1HB SER 81 -14.345 -5.769 -9.144 595 2HB SER 81 2HB SER 81 -15.015 -4.200 -8.697 596 HG SER 81 HG SER 81 -15.193 -3.686 -10.741 597 H ALA 82 H ALA 82 -11.687 -3.943 -11.248 598 HA ALA 82 HA ALA 82 -10.708 -6.612 -11.489 599 1HB ALA 82 1HB ALA 82 -11.193 -4.696 -13.284 600 2HB ALA 82 2HB ALA 82 -10.097 -6.042 -13.591 601 3HB ALA 82 3HB ALA 82 -9.452 -4.475 -13.102 602 H LEU 83 H LEU 83 -9.669 -4.046 -9.656 603 HA LEU 83 HA LEU 83 -6.863 -4.925 -9.688 604 1HB LEU 83 1HB LEU 83 -6.204 -2.833 -9.028 605 2HB LEU 83 2HB LEU 83 -7.629 -2.434 -9.966 606 HG LEU 83 HG LEU 83 -8.711 -2.710 -7.482 607 1HD1 LEU 83 1HD1 LEU 83 -6.203 -2.932 -6.756 608 2HD1 LEU 83 2HD1 LEU 83 -6.224 -1.174 -6.908 609 3HD1 LEU 83 3HD1 LEU 83 -7.337 -1.977 -5.800 610 1HD2 LEU 83 1HD2 LEU 83 -7.903 -0.526 -9.241 611 2HD2 LEU 83 2HD2 LEU 83 -9.416 -0.784 -8.373 612 3HD2 LEU 83 3HD2 LEU 83 -8.038 -0.055 -7.547 613 H LEU 84 H LEU 84 -9.730 -5.187 -7.961 614 HA LEU 84 HA LEU 84 -8.329 -5.785 -5.453 615 1HB LEU 84 1HB LEU 84 -11.300 -5.588 -5.667 616 2HB LEU 84 2HB LEU 84 -10.258 -5.232 -4.301 617 HG LEU 84 HG LEU 84 -10.046 -3.524 -6.731 618 1HD1 LEU 84 1HD1 LEU 84 -12.447 -3.671 -6.350 619 2HD1 LEU 84 2HD1 LEU 84 -12.213 -3.247 -4.655 620 3HD1 LEU 84 3HD1 LEU 84 -11.833 -2.075 -5.916 621 1HD2 LEU 84 1HD2 LEU 84 -9.755 -3.067 -3.767 622 2HD2 LEU 84 2HD2 LEU 84 -8.466 -3.152 -4.967 623 3HD2 LEU 84 3HD2 LEU 84 -9.605 -1.806 -4.992 624 H SER 85 H SER 85 -8.169 -7.606 -7.555 625 HA SER 85 HA SER 85 -9.682 -9.850 -6.422 626 1HB SER 85 1HB SER 85 -9.046 -10.388 -9.174 627 2HB SER 85 2HB SER 85 -10.631 -10.340 -8.402 628 HG SER 85 HG SER 85 -9.474 -8.538 -10.050 629 H SER 86 H SER 86 -7.192 -8.930 -5.734 630 HA SER 86 HA SER 86 -5.182 -9.786 -5.063 631 1HB SER 86 1HB SER 86 -6.566 -12.071 -5.458 632 2HB SER 86 2HB SER 86 -5.364 -12.239 -6.738 633 HG SER 86 HG SER 86 -4.871 -11.854 -3.971 634 H ASP 87 H ASP 87 -5.948 -8.401 -7.570 635 HA ASP 87 HA ASP 87 -3.509 -8.892 -9.135 636 1HB ASP 87 1HB ASP 87 -5.756 -9.526 -10.128 637 2HB ASP 87 2HB ASP 87 -6.131 -7.809 -10.135 638 H ILE 88 H ILE 88 -2.115 -7.238 -8.878 639 HA ILE 88 HA ILE 88 -3.120 -4.613 -8.130 640 HB ILE 88 HB ILE 88 -0.500 -4.158 -8.302 641 1HG1 ILE 88 1HG1 ILE 88 -0.507 -7.034 -7.427 642 2HG1 ILE 88 2HG1 ILE 88 -0.262 -6.608 -9.118 643 1HG2 ILE 88 1HG2 ILE 88 -2.260 -5.165 -6.169 644 2HG2 ILE 88 2HG2 ILE 88 -0.528 -5.233 -5.843 645 3HG2 ILE 88 3HG2 ILE 88 -1.289 -3.695 -6.248 646 1HD1 ILE 88 1HD1 ILE 88 1.421 -5.116 -7.251 647 2HD1 ILE 88 2HD1 ILE 88 1.705 -6.857 -7.267 648 3HD1 ILE 88 3HD1 ILE 88 1.834 -5.929 -8.761 649 H THR 89 H THR 89 -2.554 -6.228 -10.975 650 HA THR 89 HA THR 89 -1.164 -4.574 -12.638 651 HB THR 89 HB THR 89 -3.773 -5.801 -13.510 652 HG1 THR 89 HG1 THR 89 -1.423 -7.029 -12.623 653 1HG2 THR 89 1HG2 THR 89 -1.688 -4.486 -14.858 654 2HG2 THR 89 2HG2 THR 89 -1.507 -6.199 -15.236 655 3HG2 THR 89 3HG2 THR 89 -3.033 -5.378 -15.570 656 H ALA 90 H ALA 90 -4.690 -4.339 -12.074 657 HA ALA 90 HA ALA 90 -5.059 -2.039 -13.564 658 1HB ALA 90 1HB ALA 90 -6.638 -3.533 -11.577 659 2HB ALA 90 2HB ALA 90 -7.119 -1.864 -11.882 660 3HB ALA 90 3HB ALA 90 -7.057 -3.022 -13.211 661 H SER 91 H SER 91 -4.485 -2.434 -10.083 662 HA SER 91 HA SER 91 -4.752 0.293 -9.397 663 1HB SER 91 1HB SER 91 -2.941 -0.803 -7.580 664 2HB SER 91 2HB SER 91 -4.692 -0.717 -7.395 665 HG SER 91 HG SER 91 -4.301 -2.833 -7.229 666 H VAL 92 H VAL 92 -2.063 -1.602 -10.537 667 HA VAL 92 HA VAL 92 -0.157 0.469 -10.034 668 HB VAL 92 HB VAL 92 0.098 -2.002 -11.744 669 1HG1 VAL 92 1HG1 VAL 92 1.956 0.301 -11.288 670 2HG1 VAL 92 2HG1 VAL 92 2.619 -1.316 -11.519 671 3HG1 VAL 92 3HG1 VAL 92 1.617 -0.586 -12.774 672 1HG2 VAL 92 1HG2 VAL 92 0.146 -1.713 -9.002 673 2HG2 VAL 92 2HG2 VAL 92 0.843 -3.053 -9.913 674 3HG2 VAL 92 3HG2 VAL 92 1.854 -1.687 -9.441 675 H ASN 93 H ASN 93 -1.673 -0.782 -13.017 676 HA ASN 93 HA ASN 93 -0.550 0.787 -14.856 677 1HB ASN 93 1HB ASN 93 -2.073 -0.234 -16.084 678 2HB ASN 93 2HB ASN 93 -2.914 -0.696 -14.626 679 2HD2 ASN 93 2HD2 ASN 93 -2.717 1.637 -17.192 680 1HD2 ASN 93 1HD2 ASN 93 -4.275 2.341 -16.946 681 H CYS 94 H CYS 94 -3.154 1.655 -12.681 682 HA CYS 94 HA CYS 94 -3.571 4.267 -13.627 683 1HB CYS 94 1HB CYS 94 -4.971 2.826 -11.960 684 2HB CYS 94 2HB CYS 94 -3.939 3.564 -10.737 685 H ALA 95 H ALA 95 -1.529 3.036 -10.964 686 HA ALA 95 HA ALA 95 -0.544 5.629 -10.308 687 1HB ALA 95 1HB ALA 95 -0.339 4.217 -8.540 688 2HB ALA 95 2HB ALA 95 0.239 2.877 -9.531 689 3HB ALA 95 3HB ALA 95 1.307 4.233 -9.170 690 H LYS 96 H LYS 96 0.647 3.046 -12.411 691 HA LYS 96 HA LYS 96 3.190 3.936 -12.951 692 1HB LYS 96 1HB LYS 96 1.585 1.999 -14.008 693 2HB LYS 96 2HB LYS 96 1.617 3.153 -15.333 694 1HG LYS 96 1HG LYS 96 4.215 3.078 -14.869 695 2HG LYS 96 2HG LYS 96 3.803 1.498 -14.201 696 1HD LYS 96 1HD LYS 96 2.472 1.898 -16.719 697 2HD LYS 96 2HD LYS 96 4.207 2.163 -16.894 698 1HE LYS 96 1HE LYS 96 3.824 -0.132 -15.266 699 2HE LYS 96 2HE LYS 96 2.795 -0.296 -16.688 700 1HZ LYS 96 1HZ LYS 96 4.851 0.313 -18.005 701 2HZ LYS 96 2HZ LYS 96 5.732 0.042 -16.587 702 3HZ LYS 96 3HZ LYS 96 4.846 -1.218 -17.285 703 H LYS 97 H LYS 97 0.089 4.989 -13.904 704 HA LYS 97 HA LYS 97 0.969 7.099 -15.693 705 1HB LYS 97 1HB LYS 97 -1.432 5.719 -15.337 706 2HB LYS 97 2HB LYS 97 -1.776 7.348 -14.774 707 1HG LYS 97 1HG LYS 97 -0.415 7.781 -17.122 708 2HG LYS 97 2HG LYS 97 -1.383 6.348 -17.474 709 1HD LYS 97 1HD LYS 97 -3.389 7.455 -17.100 710 2HD LYS 97 2HD LYS 97 -2.625 8.717 -16.132 711 1HE LYS 97 1HE LYS 97 -3.263 9.636 -18.265 712 2HE LYS 97 2HE LYS 97 -1.504 9.550 -18.173 713 1HZ LYS 97 1HZ LYS 97 -3.096 7.409 -19.445 714 2HZ LYS 97 2HZ LYS 97 -2.602 8.775 -20.309 715 3HZ LYS 97 3HZ LYS 97 -1.448 7.742 -19.626 716 H ILE 98 H ILE 98 -0.136 6.741 -12.380 717 HA ILE 98 HA ILE 98 -0.470 9.448 -11.764 718 HB ILE 98 HB ILE 98 0.262 7.150 -9.975 719 1HG1 ILE 98 1HG1 ILE 98 -2.352 8.656 -10.231 720 2HG1 ILE 98 2HG1 ILE 98 -1.998 7.190 -11.140 721 1HG2 ILE 98 1HG2 ILE 98 0.147 10.020 -9.437 722 2HG2 ILE 98 2HG2 ILE 98 -0.847 9.048 -8.351 723 3HG2 ILE 98 3HG2 ILE 98 0.879 8.718 -8.499 724 1HD1 ILE 98 1HD1 ILE 98 -1.614 6.058 -8.920 725 2HD1 ILE 98 2HD1 ILE 98 -2.299 7.500 -8.171 726 3HD1 ILE 98 3HD1 ILE 98 -3.275 6.533 -9.278 727 H VAL 99 H VAL 99 2.306 7.320 -11.322 728 HA VAL 99 HA VAL 99 4.046 9.347 -10.367 729 HB VAL 99 HB VAL 99 4.186 6.758 -10.109 730 1HG1 VAL 99 1HG1 VAL 99 4.396 6.314 -12.530 731 2HG1 VAL 99 2HG1 VAL 99 5.942 7.163 -12.525 732 3HG1 VAL 99 3HG1 VAL 99 5.750 5.675 -11.598 733 1HG2 VAL 99 1HG2 VAL 99 6.617 8.497 -10.471 734 2HG2 VAL 99 2HG2 VAL 99 5.656 8.330 -9.003 735 3HG2 VAL 99 3HG2 VAL 99 6.582 6.958 -9.610 736 H SER 100 H SER 100 3.157 8.214 -13.536 737 HA SER 100 HA SER 100 5.426 9.464 -14.837 738 1HB SER 100 1HB SER 100 4.387 7.428 -15.796 739 2HB SER 100 2HB SER 100 2.887 8.324 -16.038 740 HG SER 100 HG SER 100 5.386 8.704 -17.301 741 H ASP 101 H ASP 101 2.539 10.446 -13.512 742 HA ASP 101 HA ASP 101 2.099 12.671 -15.346 743 1HB ASP 101 1HB ASP 101 0.508 11.258 -13.352 744 2HB ASP 101 2HB ASP 101 0.359 13.007 -13.216 745 H GLY 102 H GLY 102 4.051 12.057 -12.734 746 1HA GLY 102 1HA GLY 102 3.935 14.850 -11.792 747 2HA GLY 102 2HA GLY 102 5.458 14.152 -12.318 748 H ASN 103 H ASN 103 2.800 12.968 -10.256 749 HA ASN 103 HA ASN 103 4.125 13.195 -7.813 750 1HB ASN 103 1HB ASN 103 2.026 11.171 -8.618 751 2HB ASN 103 2HB ASN 103 2.473 11.581 -6.965 752 2HD2 ASN 103 2HD2 ASN 103 2.387 14.034 -6.554 753 1HD2 ASN 103 1HD2 ASN 103 0.959 14.827 -7.115 754 H GLY 104 H GLY 104 6.230 12.468 -7.869 755 1HA GLY 104 1HA GLY 104 7.959 10.926 -8.284 756 2HA GLY 104 2HA GLY 104 6.752 9.704 -8.643 757 H MET 105 H MET 105 5.316 9.206 -6.621 758 HA MET 105 HA MET 105 5.364 7.899 -4.740 759 1HB MET 105 1HB MET 105 8.189 8.847 -4.232 760 2HB MET 105 2HB MET 105 7.369 7.488 -3.476 761 1HG MET 105 1HG MET 105 8.519 7.722 -6.217 762 2HG MET 105 2HG MET 105 8.745 6.461 -5.008 763 1HE MET 105 1HE MET 105 5.803 5.988 -4.082 764 2HE MET 105 2HE MET 105 5.186 4.727 -5.150 765 3HE MET 105 3HE MET 105 6.802 4.583 -4.460 766 H ASN 106 H ASN 106 5.373 11.039 -5.176 767 HA ASN 106 HA ASN 106 5.473 11.886 -2.401 768 1HB ASN 106 1HB ASN 106 5.475 13.187 -5.063 769 2HB ASN 106 2HB ASN 106 4.740 14.086 -3.750 770 2HD2 ASN 106 2HD2 ASN 106 6.107 14.137 -1.709 771 1HD2 ASN 106 1HD2 ASN 106 7.798 14.415 -1.928 772 H ALA 107 H ALA 107 3.162 11.239 -4.945 773 HA ALA 107 HA ALA 107 0.921 12.568 -3.936 774 1HB ALA 107 1HB ALA 107 1.437 10.485 -5.895 775 2HB ALA 107 2HB ALA 107 -0.112 10.279 -5.078 776 3HB ALA 107 3HB ALA 107 0.249 11.788 -5.915 777 H TRP 108 H TRP 108 2.285 9.427 -3.163 778 HA TRP 108 HA TRP 108 0.132 8.783 -1.340 779 1HB TRP 108 1HB TRP 108 2.725 7.310 -1.854 780 2HB TRP 108 2HB TRP 108 1.307 6.678 -1.016 781 HD1 TRP 108 HD1 TRP 108 -0.820 6.023 -2.518 782 HE1 TRP 108 HE1 TRP 108 -1.062 5.509 -5.028 783 HE3 TRP 108 HE3 TRP 108 3.627 7.928 -4.173 784 HZ2 TRP 108 HZ2 TRP 108 0.430 5.866 -7.404 785 HZ3 TRP 108 HZ3 TRP 108 4.142 7.804 -6.575 786 HH2 TRP 108 HH2 TRP 108 2.577 6.795 -8.154 787 H VAL 109 H VAL 109 0.064 9.409 0.681 788 HA VAL 109 HA VAL 109 2.150 10.895 1.900 789 HB VAL 109 HB VAL 109 0.098 9.911 3.660 790 1HG1 VAL 109 1HG1 VAL 109 1.037 12.658 2.890 791 2HG1 VAL 109 2HG1 VAL 109 -0.105 12.308 4.188 792 3HG1 VAL 109 3HG1 VAL 109 1.557 11.723 4.293 793 1HG2 VAL 109 1HG2 VAL 109 -1.172 9.940 1.560 794 2HG2 VAL 109 2HG2 VAL 109 -1.733 11.175 2.685 795 3HG2 VAL 109 3HG2 VAL 109 -0.708 11.625 1.323 796 H ALA 110 H ALA 110 1.275 7.538 2.054 797 HA ALA 110 HA ALA 110 2.454 6.964 4.564 798 1HB ALA 110 1HB ALA 110 2.511 4.822 2.549 799 2HB ALA 110 2HB ALA 110 1.825 4.837 4.174 800 3HB ALA 110 3HB ALA 110 0.928 5.548 2.833 801 H TRP 111 H TRP 111 3.762 7.633 1.492 802 HA TRP 111 HA TRP 111 6.305 6.353 2.090 803 1HB TRP 111 1HB TRP 111 5.537 6.250 -0.218 804 2HB TRP 111 2HB TRP 111 5.458 8.003 -0.300 805 HD1 TRP 111 HD1 TRP 111 7.898 5.104 -0.489 806 HE1 TRP 111 HE1 TRP 111 10.199 5.983 -1.237 807 HE3 TRP 111 HE3 TRP 111 6.991 10.129 -0.192 808 HZ2 TRP 111 HZ2 TRP 111 11.462 8.472 -1.648 809 HZ3 TRP 111 HZ3 TRP 111 8.799 11.690 -0.780 810 HH2 TRP 111 HH2 TRP 111 10.989 10.876 -1.492 811 H ARG 112 H ARG 112 4.890 9.605 1.969 812 HA ARG 112 HA ARG 112 7.453 10.790 2.687 813 1HB ARG 112 1HB ARG 112 4.964 11.698 1.491 814 2HB ARG 112 2HB ARG 112 5.527 12.766 2.769 815 1HG ARG 112 1HG ARG 112 7.822 12.414 1.413 816 2HG ARG 112 2HG ARG 112 6.655 12.245 0.100 817 1HD ARG 112 1HD ARG 112 7.416 14.567 0.378 818 2HD ARG 112 2HD ARG 112 5.682 14.394 0.645 819 HE ARG 112 HE ARG 112 6.335 14.350 3.103 820 1HH1 ARG 112 1HH1 ARG 112 8.122 16.086 0.668 821 2HH1 ARG 112 2HH1 ARG 112 8.726 17.274 1.774 822 1HH2 ARG 112 1HH2 ARG 112 7.124 15.910 4.567 823 2HH2 ARG 112 2HH2 ARG 112 8.159 17.173 3.991 824 H ASN 113 H ASN 113 6.533 9.068 4.601 825 HA ASN 113 HA ASN 113 6.210 10.862 6.845 826 1HB ASN 113 1HB ASN 113 3.875 10.057 5.857 827 2HB ASN 113 2HB ASN 113 4.235 8.629 6.825 828 2HD2 ASN 113 2HD2 ASN 113 3.064 8.744 8.597 829 1HD2 ASN 113 1HD2 ASN 113 2.904 10.126 9.621 830 H ARG 114 H ARG 114 5.762 7.401 6.174 831 HA ARG 114 HA ARG 114 7.547 6.787 8.409 832 1HB ARG 114 1HB ARG 114 5.348 5.369 7.010 833 2HB ARG 114 2HB ARG 114 6.644 4.383 7.667 834 1HG ARG 114 1HG ARG 114 5.679 4.485 9.656 835 2HG ARG 114 2HG ARG 114 5.932 6.232 9.671 836 1HD ARG 114 1HD ARG 114 3.747 5.920 8.022 837 2HD ARG 114 2HD ARG 114 3.491 4.695 9.262 838 HE ARG 114 HE ARG 114 3.443 7.569 9.607 839 1HH1 ARG 114 1HH1 ARG 114 3.628 4.446 11.142 840 2HH1 ARG 114 2HH1 ARG 114 3.079 5.026 12.678 841 1HH2 ARG 114 1HH2 ARG 114 2.718 8.341 11.627 842 2HH2 ARG 114 2HH2 ARG 114 2.561 7.240 12.954 843 H CYS 115 H CYS 115 7.802 7.248 5.161 844 HA CYS 115 HA CYS 115 9.914 5.215 4.892 845 1HB CYS 115 1HB CYS 115 7.915 5.171 3.301 846 2HB CYS 115 2HB CYS 115 8.595 6.632 2.591 847 H LYS 116 H LYS 116 9.113 8.590 4.081 848 HA LYS 116 HA LYS 116 11.543 9.312 2.953 849 1HB LYS 116 1HB LYS 116 9.400 10.666 3.048 850 2HB LYS 116 2HB LYS 116 9.862 11.126 4.680 851 1HG LYS 116 1HG LYS 116 11.127 12.754 3.883 852 2HG LYS 116 2HG LYS 116 12.074 11.590 2.952 853 1HD LYS 116 1HD LYS 116 10.384 11.705 1.155 854 2HD LYS 116 2HD LYS 116 9.516 12.932 2.078 855 1HE LYS 116 1HE LYS 116 12.360 13.179 1.102 856 2HE LYS 116 2HE LYS 116 10.953 13.895 0.315 857 1HZ LYS 116 1HZ LYS 116 10.536 15.139 2.385 858 2HZ LYS 116 2HZ LYS 116 11.972 14.523 3.033 859 3HZ LYS 116 3HZ LYS 116 12.021 15.531 1.675 860 H GLY 117 H GLY 117 13.318 8.483 4.024 861 1HA GLY 117 1HA GLY 117 13.753 9.463 6.772 862 2HA GLY 117 2HA GLY 117 14.983 9.672 5.537 863 H THR 118 H THR 118 13.686 6.790 4.753 864 HA THR 118 HA THR 118 15.501 5.319 6.546 865 HB THR 118 HB THR 118 14.051 3.335 6.165 866 HG1 THR 118 HG1 THR 118 11.895 4.831 5.336 867 1HG2 THR 118 1HG2 THR 118 13.196 5.784 7.574 868 2HG2 THR 118 2HG2 THR 118 11.955 4.551 7.347 869 3HG2 THR 118 3HG2 THR 118 13.452 4.152 8.190 870 H ASP 119 H ASP 119 15.013 2.869 4.923 871 HA ASP 119 HA ASP 119 16.411 3.567 2.454 872 1HB ASP 119 1HB ASP 119 17.858 2.711 4.442 873 2HB ASP 119 2HB ASP 119 17.266 1.166 3.878 874 H VAL 120 H VAL 120 15.038 2.972 0.910 875 HA VAL 120 HA VAL 120 13.249 0.756 1.187 876 HB VAL 120 HB VAL 120 12.596 1.261 -1.141 877 1HG1 VAL 120 1HG1 VAL 120 11.918 2.619 1.024 878 2HG1 VAL 120 2HG1 VAL 120 12.729 3.928 0.164 879 3HG1 VAL 120 3HG1 VAL 120 11.362 3.097 -0.580 880 1HG2 VAL 120 1HG2 VAL 120 14.973 3.071 -0.980 881 2HG2 VAL 120 2HG2 VAL 120 14.500 1.955 -2.262 882 3HG2 VAL 120 3HG2 VAL 120 13.622 3.469 -2.042 883 H GLN 121 H GLN 121 16.369 1.340 -0.251 884 HA GLN 121 HA GLN 121 16.512 -0.846 -2.000 885 1HB GLN 121 1HB GLN 121 18.353 1.068 -0.832 886 2HB GLN 121 2HB GLN 121 19.078 -0.532 -0.914 887 1HG GLN 121 1HG GLN 121 17.677 0.385 -3.339 888 2HG GLN 121 2HG GLN 121 19.158 1.244 -2.916 889 2HE2 GLN 121 2HE2 GLN 121 17.963 -2.098 -3.050 890 1HE2 GLN 121 1HE2 GLN 121 19.376 -2.754 -3.795 891 H ALA 122 H ALA 122 16.605 -0.593 1.421 892 HA ALA 122 HA ALA 122 17.657 -3.278 1.804 893 1HB ALA 122 1HB ALA 122 17.227 -0.917 3.493 894 2HB ALA 122 2HB ALA 122 16.880 -2.457 4.278 895 3HB ALA 122 3HB ALA 122 18.472 -2.163 3.579 896 H TRP 123 H TRP 123 14.648 -1.630 1.515 897 HA TRP 123 HA TRP 123 13.003 -3.370 3.022 898 1HB TRP 123 1HB TRP 123 12.562 -1.361 0.874 899 2HB TRP 123 2HB TRP 123 11.276 -2.529 1.159 900 HD1 TRP 123 HD1 TRP 123 11.623 0.789 1.918 901 HE1 TRP 123 HE1 TRP 123 10.770 1.463 4.252 902 HE3 TRP 123 HE3 TRP 123 11.543 -3.793 4.148 903 HZ2 TRP 123 HZ2 TRP 123 10.156 0.184 6.681 904 HZ3 TRP 123 HZ3 TRP 123 10.811 -3.991 6.469 905 HH2 TRP 123 HH2 TRP 123 10.125 -2.019 7.723 906 H ILE 124 H ILE 124 14.635 -3.785 0.055 907 HA ILE 124 HA ILE 124 13.119 -6.263 -0.445 908 HB ILE 124 HB ILE 124 13.761 -5.991 -2.863 909 1HG1 ILE 124 1HG1 ILE 124 13.934 -3.188 -3.005 910 2HG1 ILE 124 2HG1 ILE 124 15.081 -3.669 -1.759 911 1HG2 ILE 124 1HG2 ILE 124 11.611 -4.987 -1.432 912 2HG2 ILE 124 2HG2 ILE 124 12.087 -3.660 -2.492 913 3HG2 ILE 124 3HG2 ILE 124 11.691 -5.238 -3.175 914 1HD1 ILE 124 1HD1 ILE 124 15.646 -5.468 -3.699 915 2HD1 ILE 124 2HD1 ILE 124 15.162 -4.069 -4.657 916 3HD1 ILE 124 3HD1 ILE 124 16.474 -3.925 -3.488 917 H ARG 125 H ARG 125 15.821 -5.303 0.854 918 HA ARG 125 HA ARG 125 17.884 -6.572 -0.605 919 1HB ARG 125 1HB ARG 125 18.010 -4.857 1.352 920 2HB ARG 125 2HB ARG 125 17.954 -6.282 2.380 921 1HG ARG 125 1HG ARG 125 19.916 -7.130 0.948 922 2HG ARG 125 2HG ARG 125 20.067 -5.449 0.433 923 1HD ARG 125 1HD ARG 125 21.208 -5.010 2.285 924 2HD ARG 125 2HD ARG 125 19.784 -5.426 3.238 925 HE ARG 125 HE ARG 125 21.873 -7.360 2.465 926 1HH1 ARG 125 1HH1 ARG 125 19.485 -6.152 4.697 927 2HH1 ARG 125 2HH1 ARG 125 19.811 -7.357 5.899 928 1HH2 ARG 125 1HH2 ARG 125 22.308 -8.950 4.041 929 2HH2 ARG 125 2HH2 ARG 125 21.416 -8.947 5.525 930 H GLY 126 H GLY 126 17.521 -8.660 -1.178 931 1HA GLY 126 1HA GLY 126 17.193 -10.579 1.043 932 2HA GLY 126 2HA GLY 126 18.097 -10.910 -0.427 933 H CYS 127 H CYS 127 15.382 -9.197 -1.256 934 HA CYS 127 HA CYS 127 13.426 -11.236 -1.214 935 1HB CYS 127 1HB CYS 127 13.653 -8.550 -2.309 936 2HB CYS 127 2HB CYS 127 12.464 -9.585 -3.072 937 H ARG 128 H ARG 128 13.098 -12.880 -2.563 938 HA ARG 128 HA ARG 128 14.891 -13.306 -4.764 939 1HB ARG 128 1HB ARG 128 12.509 -14.896 -3.795 940 2HB ARG 128 2HB ARG 128 13.606 -15.418 -5.067 941 1HG ARG 128 1HG ARG 128 15.440 -15.515 -3.517 942 2HG ARG 128 2HG ARG 128 14.441 -14.828 -2.235 943 1HD ARG 128 1HD ARG 128 14.104 -16.974 -1.662 944 2HD ARG 128 2HD ARG 128 12.938 -16.958 -2.984 945 HE ARG 128 HE ARG 128 15.579 -17.622 -3.856 946 1HH1 ARG 128 1HH1 ARG 128 12.684 -18.895 -2.395 947 2HH1 ARG 128 2HH1 ARG 128 12.976 -20.518 -2.925 948 1HH2 ARG 128 1HH2 ARG 128 15.972 -19.754 -4.558 949 2HH2 ARG 128 2HH2 ARG 128 14.846 -21.007 -4.154 950 H LEU 129 H LEU 129 14.433 -11.640 -6.224 951 HA LEU 129 HA LEU 129 12.164 -12.185 -7.950 952 1HB LEU 129 1HB LEU 129 11.241 -10.003 -7.907 953 2HB LEU 129 2HB LEU 129 11.382 -10.525 -6.240 954 HG LEU 129 HG LEU 129 13.759 -9.182 -6.677 955 1HD1 LEU 129 1HD1 LEU 129 12.939 -8.340 -8.814 956 2HD1 LEU 129 2HD1 LEU 129 11.518 -7.672 -8.012 957 3HD1 LEU 129 3HD1 LEU 129 13.120 -7.036 -7.642 958 1HD2 LEU 129 1HD2 LEU 129 11.147 -8.390 -5.426 959 2HD2 LEU 129 2HD2 LEU 129 12.618 -8.961 -4.640 960 3HD2 LEU 129 3HD2 LEU 129 12.571 -7.352 -5.359 No H/Q in entry = 960 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -6.613 -9.745 3.238 2 H2 LYS 1 H2 LYS 1 -7.765 -9.927 2.014 3 H3 LYS 1 H3 LYS 1 -7.476 -11.193 3.100 4 HA LYS 1 HA LYS 1 -5.502 -11.788 2.148 5 1HB LYS 1 1HB LYS 1 -7.728 -11.356 0.486 6 2HB LYS 1 2HB LYS 1 -6.336 -10.824 -0.446 7 1HG LYS 1 1HG LYS 1 -5.279 -12.972 -0.187 8 2HG LYS 1 2HG LYS 1 -6.575 -13.515 0.881 9 1HD LYS 1 1HD LYS 1 -8.105 -13.685 -0.847 10 2HD LYS 1 2HD LYS 1 -7.223 -12.552 -1.873 11 1HE LYS 1 1HE LYS 1 -6.195 -14.243 -2.877 12 2HE LYS 1 2HE LYS 1 -5.530 -14.769 -1.330 13 1HZ LYS 1 1HZ LYS 1 -7.887 -15.796 -1.046 14 2HZ LYS 1 2HZ LYS 1 -7.930 -15.710 -2.736 15 3HZ LYS 1 3HZ LYS 1 -6.717 -16.602 -1.964 16 H VAL 2 H VAL 2 -3.819 -10.482 2.882 17 HA VAL 2 HA VAL 2 -3.185 -8.083 1.318 18 HB VAL 2 HB VAL 2 -2.164 -9.088 3.975 19 1HG1 VAL 2 1HG1 VAL 2 -0.562 -7.778 2.224 20 2HG1 VAL 2 2HG1 VAL 2 -1.305 -6.425 3.073 21 3HG1 VAL 2 3HG1 VAL 2 -0.423 -7.655 3.977 22 1HG2 VAL 2 1HG2 VAL 2 -4.330 -7.465 3.265 23 2HG2 VAL 2 2HG2 VAL 2 -3.670 -7.729 4.879 24 3HG2 VAL 2 3HG2 VAL 2 -3.102 -6.374 3.904 25 H PHE 3 H PHE 3 -1.159 -7.812 0.313 26 HA PHE 3 HA PHE 3 0.056 -10.187 -0.701 27 1HB PHE 3 1HB PHE 3 0.675 -7.244 -0.962 28 2HB PHE 3 2HB PHE 3 1.707 -8.479 -1.670 29 HD1 PHE 3 HD1 PHE 3 0.158 -10.331 -2.992 30 HD2 PHE 3 HD2 PHE 3 -0.690 -6.201 -2.436 31 HE1 PHE 3 HE1 PHE 3 -1.243 -10.352 -5.010 32 HE2 PHE 3 HE2 PHE 3 -2.096 -6.213 -4.447 33 HZ PHE 3 HZ PHE 3 -2.376 -8.290 -5.742 34 H GLY 4 H GLY 4 2.405 -10.547 -0.574 35 1HA GLY 4 1HA GLY 4 4.072 -11.258 0.904 36 2HA GLY 4 2HA GLY 4 3.314 -10.306 2.176 37 H ARG 5 H ARG 5 6.124 -10.372 1.551 38 HA ARG 5 HA ARG 5 6.500 -7.517 1.113 39 1HB ARG 5 1HB ARG 5 7.567 -8.880 3.028 40 2HB ARG 5 2HB ARG 5 8.675 -9.479 1.800 41 1HG ARG 5 1HG ARG 5 8.686 -6.723 1.459 42 2HG ARG 5 2HG ARG 5 8.669 -6.963 3.208 43 1HD ARG 5 1HD ARG 5 10.484 -8.830 2.074 44 2HD ARG 5 2HD ARG 5 10.840 -7.242 1.396 45 HE ARG 5 HE ARG 5 10.647 -6.692 4.009 46 1HH1 ARG 5 1HH1 ARG 5 12.366 -9.189 2.291 47 2HH1 ARG 5 2HH1 ARG 5 13.637 -9.298 3.462 48 1HH2 ARG 5 1HH2 ARG 5 12.316 -6.829 5.556 49 2HH2 ARG 5 2HH2 ARG 5 13.609 -7.957 5.318 50 H CYS 6 H CYS 6 8.113 -10.491 -0.038 51 HA CYS 6 HA CYS 6 9.146 -9.021 -2.296 52 1HB CYS 6 1HB CYS 6 9.338 -11.997 -1.922 53 2HB CYS 6 2HB CYS 6 10.389 -10.922 -2.840 54 H GLU 7 H GLU 7 6.658 -11.456 -1.691 55 HA GLU 7 HA GLU 7 6.029 -12.257 -4.242 56 1HB GLU 7 1HB GLU 7 4.859 -12.806 -1.986 57 2HB GLU 7 2HB GLU 7 3.845 -11.417 -2.348 58 1HG GLU 7 1HG GLU 7 2.959 -12.433 -4.274 59 2HG GLU 7 2HG GLU 7 4.199 -13.686 -4.278 60 H LEU 8 H LEU 8 4.869 -9.375 -2.563 61 HA LEU 8 HA LEU 8 3.509 -8.238 -4.753 62 1HB LEU 8 1HB LEU 8 3.084 -7.585 -2.433 63 2HB LEU 8 2HB LEU 8 4.706 -6.938 -2.301 64 HG LEU 8 HG LEU 8 2.665 -5.347 -2.673 65 1HD1 LEU 8 1HD1 LEU 8 5.080 -4.742 -2.589 66 2HD1 LEU 8 2HD1 LEU 8 5.143 -4.969 -4.337 67 3HD1 LEU 8 3HD1 LEU 8 4.106 -3.720 -3.647 68 1HD2 LEU 8 1HD2 LEU 8 2.106 -6.743 -4.810 69 2HD2 LEU 8 2HD2 LEU 8 1.909 -4.991 -4.814 70 3HD2 LEU 8 3HD2 LEU 8 3.332 -5.719 -5.557 71 H ALA 9 H ALA 9 6.840 -7.884 -3.529 72 HA ALA 9 HA ALA 9 7.599 -5.782 -5.242 73 1HB ALA 9 1HB ALA 9 8.828 -6.702 -3.201 74 2HB ALA 9 2HB ALA 9 9.530 -7.870 -4.322 75 3HB ALA 9 3HB ALA 9 9.787 -6.144 -4.571 76 H ALA 10 H ALA 10 8.118 -9.300 -5.628 77 HA ALA 10 HA ALA 10 9.398 -9.284 -8.060 78 1HB ALA 10 1HB ALA 10 9.116 -11.516 -8.012 79 2HB ALA 10 2HB ALA 10 7.368 -11.389 -7.807 80 3HB ALA 10 3HB ALA 10 8.434 -11.229 -6.411 81 H ALA 11 H ALA 11 5.976 -8.956 -7.305 82 HA ALA 11 HA ALA 11 5.050 -9.070 -9.963 83 1HB ALA 11 1HB ALA 11 3.765 -7.668 -7.639 84 2HB ALA 11 2HB ALA 11 3.586 -9.384 -8.000 85 3HB ALA 11 3HB ALA 11 2.968 -8.177 -9.127 86 H MET 12 H MET 12 6.208 -6.565 -7.943 87 HA MET 12 HA MET 12 5.519 -4.328 -9.518 88 1HB MET 12 1HB MET 12 8.070 -4.436 -7.946 89 2HB MET 12 2HB MET 12 7.020 -3.069 -8.219 90 1HG MET 12 1HG MET 12 6.181 -5.434 -6.594 91 2HG MET 12 2HG MET 12 6.999 -4.035 -5.904 92 1HE MET 12 1HE MET 12 6.175 -1.591 -6.604 93 2HE MET 12 2HE MET 12 5.415 -1.870 -8.170 94 3HE MET 12 3HE MET 12 4.480 -1.168 -6.849 95 H LYS 13 H LYS 13 8.526 -6.216 -9.376 96 HA LYS 13 HA LYS 13 10.006 -4.881 -11.282 97 1HB LYS 13 1HB LYS 13 10.648 -6.892 -9.791 98 2HB LYS 13 2HB LYS 13 10.018 -7.885 -11.100 99 1HG LYS 13 1HG LYS 13 11.804 -5.920 -12.165 100 2HG LYS 13 2HG LYS 13 12.588 -6.791 -10.845 101 1HD LYS 13 1HD LYS 13 12.877 -8.573 -12.142 102 2HD LYS 13 2HD LYS 13 11.146 -8.643 -12.483 103 1HE LYS 13 1HE LYS 13 11.733 -8.205 -14.598 104 2HE LYS 13 2HE LYS 13 11.953 -6.547 -14.040 105 1HZ LYS 13 1HZ LYS 13 14.252 -8.167 -13.539 106 2HZ LYS 13 2HZ LYS 13 13.859 -8.133 -15.183 107 3HZ LYS 13 3HZ LYS 13 14.136 -6.686 -14.348 108 H ARG 14 H ARG 14 7.741 -7.570 -11.756 109 HA ARG 14 HA ARG 14 7.994 -7.710 -14.552 110 1HB ARG 14 1HB ARG 14 5.676 -8.469 -12.764 111 2HB ARG 14 2HB ARG 14 5.804 -8.899 -14.464 112 1HG ARG 14 1HG ARG 14 7.992 -10.037 -13.850 113 2HG ARG 14 2HG ARG 14 7.489 -9.846 -12.170 114 1HD ARG 14 1HD ARG 14 6.659 -11.934 -12.621 115 2HD ARG 14 2HD ARG 14 5.269 -10.937 -13.042 116 HE ARG 14 HE ARG 14 7.165 -11.793 -15.117 117 1HH1 ARG 14 1HH1 ARG 14 3.950 -11.744 -13.774 118 2HH1 ARG 14 2HH1 ARG 14 3.213 -12.433 -15.181 119 1HH2 ARG 14 1HH2 ARG 14 6.202 -12.701 -16.973 120 2HH2 ARG 14 2HH2 ARG 14 4.493 -12.978 -17.000 121 H HIS 15 H HIS 15 5.917 -5.796 -12.427 122 HA HIS 15 HA HIS 15 4.322 -4.752 -14.535 123 1HB HIS 15 1HB HIS 15 4.622 -4.259 -11.613 124 2HB HIS 15 2HB HIS 15 3.825 -3.024 -12.582 125 HD1 HIS 15 HD1 HIS 15 2.485 -4.921 -10.375 126 HD2 HIS 15 HD2 HIS 15 2.210 -5.320 -14.501 127 HE1 HIS 15 HE1 HIS 15 0.374 -6.224 -10.785 128 HE2 HIS 15 HE2 HIS 15 0.275 -6.529 -13.284 129 H GLY 16 H GLY 16 7.536 -4.123 -13.810 130 1HA GLY 16 1HA GLY 16 7.529 -1.871 -15.517 131 2HA GLY 16 2HA GLY 16 8.914 -2.577 -14.716 132 H LEU 17 H LEU 17 7.564 -2.088 -11.964 133 HA LEU 17 HA LEU 17 7.566 0.817 -11.985 134 1HB LEU 17 1HB LEU 17 7.390 -0.842 -9.502 135 2HB LEU 17 2HB LEU 17 6.753 0.763 -9.792 136 HG LEU 17 HG LEU 17 5.574 -1.877 -10.356 137 1HD1 LEU 17 1HD1 LEU 17 4.946 0.139 -8.719 138 2HD1 LEU 17 2HD1 LEU 17 3.998 0.618 -10.126 139 3HD1 LEU 17 3HD1 LEU 17 3.739 -0.962 -9.385 140 1HD2 LEU 17 1HD2 LEU 17 5.365 0.420 -12.286 141 2HD2 LEU 17 2HD2 LEU 17 5.677 -1.282 -12.627 142 3HD2 LEU 17 3HD2 LEU 17 4.072 -0.766 -12.110 143 H ASP 18 H ASP 18 9.838 -1.423 -12.004 144 HA ASP 18 HA ASP 18 11.607 -0.488 -9.967 145 1HB ASP 18 1HB ASP 18 12.148 -2.647 -10.505 146 2HB ASP 18 2HB ASP 18 11.786 -2.434 -12.208 147 H ASN 19 H ASN 19 11.801 1.684 -10.196 148 HA ASN 19 HA ASN 19 12.760 3.635 -10.824 149 1HB ASN 19 1HB ASN 19 14.711 1.853 -11.260 150 2HB ASN 19 2HB ASN 19 14.456 2.376 -12.922 151 2HD2 ASN 19 2HD2 ASN 19 16.406 2.846 -10.461 152 1HD2 ASN 19 1HD2 ASN 19 16.785 4.521 -10.640 153 H TYR 20 H TYR 20 10.394 2.763 -12.070 154 HA TYR 20 HA TYR 20 10.453 3.316 -14.865 155 1HB TYR 20 1HB TYR 20 8.581 2.110 -13.702 156 2HB TYR 20 2HB TYR 20 8.139 3.624 -12.924 157 HD1 TYR 20 HD1 TYR 20 8.679 2.202 -16.338 158 HD2 TYR 20 HD2 TYR 20 6.515 4.941 -13.906 159 HE1 TYR 20 HE1 TYR 20 7.247 2.766 -18.256 160 HE2 TYR 20 HE2 TYR 20 5.077 5.511 -15.817 161 HH TYR 20 HH TYR 20 5.817 4.630 -19.002 162 H ARG 21 H ARG 21 9.207 5.341 -15.706 163 HA ARG 21 HA ARG 21 10.464 7.600 -15.578 164 1HB ARG 21 1HB ARG 21 7.633 7.014 -15.842 165 2HB ARG 21 2HB ARG 21 7.896 8.609 -15.151 166 1HG ARG 21 1HG ARG 21 8.121 9.328 -17.239 167 2HG ARG 21 2HG ARG 21 9.689 8.519 -17.240 168 1HD ARG 21 1HD ARG 21 8.325 6.419 -17.908 169 2HD ARG 21 2HD ARG 21 7.072 7.578 -18.349 170 HE ARG 21 HE ARG 21 9.680 7.253 -19.631 171 1HH1 ARG 21 1HH1 ARG 21 6.606 8.886 -19.457 172 2HH1 ARG 21 2HH1 ARG 21 6.738 9.575 -21.041 173 1HH2 ARG 21 1HH2 ARG 21 9.861 8.158 -21.717 174 2HH2 ARG 21 2HH2 ARG 21 8.588 9.161 -22.326 175 H GLY 22 H GLY 22 8.348 6.530 -12.995 176 1HA GLY 22 1HA GLY 22 7.992 7.338 -10.860 177 2HA GLY 22 2HA GLY 22 8.857 8.801 -11.308 178 H TYR 23 H TYR 23 9.004 5.852 -9.625 179 HA TYR 23 HA TYR 23 11.905 6.185 -9.261 180 1HB TYR 23 1HB TYR 23 9.764 6.012 -7.179 181 2HB TYR 23 2HB TYR 23 11.404 5.493 -6.808 182 HD1 TYR 23 HD1 TYR 23 9.621 8.400 -8.337 183 HD2 TYR 23 HD2 TYR 23 12.851 7.061 -5.914 184 HE1 TYR 23 HE1 TYR 23 10.241 10.733 -7.889 185 HE2 TYR 23 HE2 TYR 23 13.479 9.393 -5.458 186 HH TYR 23 HH TYR 23 12.996 11.533 -5.790 187 H SER 24 H SER 24 12.703 4.354 -7.676 188 HA SER 24 HA SER 24 12.510 1.950 -9.199 189 1HB SER 24 1HB SER 24 14.288 1.132 -7.821 190 2HB SER 24 2HB SER 24 14.621 2.830 -8.160 191 HG SER 24 HG SER 24 14.368 3.292 -6.114 192 H LEU 25 H LEU 25 12.220 -0.151 -8.233 193 HA LEU 25 HA LEU 25 9.744 -0.658 -7.271 194 1HB LEU 25 1HB LEU 25 12.313 -2.170 -6.911 195 2HB LEU 25 2HB LEU 25 10.799 -2.794 -6.285 196 HG LEU 25 HG LEU 25 11.673 -2.458 -9.123 197 1HD1 LEU 25 1HD1 LEU 25 11.140 -4.615 -7.295 198 2HD1 LEU 25 2HD1 LEU 25 10.145 -4.757 -8.744 199 3HD1 LEU 25 3HD1 LEU 25 11.900 -4.650 -8.887 200 1HD2 LEU 25 1HD2 LEU 25 8.853 -2.448 -8.098 201 2HD2 LEU 25 2HD2 LEU 25 9.607 -1.367 -9.269 202 3HD2 LEU 25 3HD2 LEU 25 9.259 -3.038 -9.710 203 H GLY 26 H GLY 26 12.657 -0.466 -5.200 204 1HA GLY 26 1HA GLY 26 12.875 0.266 -3.028 205 2HA GLY 26 2HA GLY 26 11.615 -0.921 -2.743 206 H ASN 27 H ASN 27 11.298 2.123 -4.527 207 HA ASN 27 HA ASN 27 10.129 3.566 -2.379 208 1HB ASN 27 1HB ASN 27 9.895 4.068 -5.352 209 2HB ASN 27 2HB ASN 27 9.507 5.219 -4.076 210 2HD2 ASN 27 2HD2 ASN 27 11.998 3.717 -5.911 211 1HD2 ASN 27 1HD2 ASN 27 13.315 4.648 -5.291 212 H TRP 28 H TRP 28 8.854 1.537 -4.919 213 HA TRP 28 HA TRP 28 6.106 2.191 -4.531 214 1HB TRP 28 1HB TRP 28 7.413 -0.194 -5.829 215 2HB TRP 28 2HB TRP 28 5.689 0.174 -5.896 216 HD1 TRP 28 HD1 TRP 28 9.013 1.186 -7.365 217 HE1 TRP 28 HE1 TRP 28 8.627 2.864 -9.264 218 HE3 TRP 28 HE3 TRP 28 4.031 2.016 -6.677 219 HZ2 TRP 28 HZ2 TRP 28 6.473 4.344 -10.354 220 HZ3 TRP 28 HZ3 TRP 28 2.861 3.567 -8.179 221 HH2 TRP 28 HH2 TRP 28 4.061 4.713 -9.988 222 H VAL 29 H VAL 29 8.219 -0.418 -3.376 223 HA VAL 29 HA VAL 29 6.198 -1.853 -2.038 224 HB VAL 29 HB VAL 29 9.174 -1.775 -1.525 225 1HG1 VAL 29 1HG1 VAL 29 7.883 -2.696 0.363 226 2HG1 VAL 29 2HG1 VAL 29 7.173 -3.885 -0.730 227 3HG1 VAL 29 3HG1 VAL 29 8.908 -3.902 -0.414 228 1HG2 VAL 29 1HG2 VAL 29 7.493 -3.539 -3.296 229 2HG2 VAL 29 2HG2 VAL 29 8.766 -2.423 -3.787 230 3HG2 VAL 29 3HG2 VAL 29 9.171 -3.877 -2.874 231 H CYS 30 H CYS 30 8.625 0.456 -0.907 232 HA CYS 30 HA CYS 30 7.926 0.451 1.789 233 1HB CYS 30 1HB CYS 30 9.969 1.469 0.671 234 2HB CYS 30 2HB CYS 30 8.952 2.848 0.277 235 H ALA 31 H ALA 31 6.802 2.568 -0.847 236 HA ALA 31 HA ALA 31 5.125 4.178 0.741 237 1HB ALA 31 1HB ALA 31 4.740 3.585 -2.184 238 2HB ALA 31 2HB ALA 31 5.954 4.705 -1.566 239 3HB ALA 31 3HB ALA 31 4.241 5.024 -1.296 240 H ALA 32 H ALA 32 4.427 1.294 -1.215 241 HA ALA 32 HA ALA 32 1.642 1.279 -0.684 242 1HB ALA 32 1HB ALA 32 2.213 0.082 -2.574 243 2HB ALA 32 2HB ALA 32 1.924 -1.199 -1.398 244 3HB ALA 32 3HB ALA 32 3.574 -0.715 -1.788 245 H LYS 33 H LYS 33 4.353 -0.533 0.735 246 HA LYS 33 HA LYS 33 3.045 -2.210 2.439 247 1HB LYS 33 1HB LYS 33 5.512 -2.094 2.084 248 2HB LYS 33 2HB LYS 33 5.554 -0.683 3.130 249 1HG LYS 33 1HG LYS 33 4.179 -2.791 4.473 250 2HG LYS 33 2HG LYS 33 5.719 -3.396 3.856 251 1HD LYS 33 1HD LYS 33 6.895 -1.566 4.950 252 2HD LYS 33 2HD LYS 33 5.362 -0.909 5.529 253 1HE LYS 33 1HE LYS 33 5.422 -3.605 6.323 254 2HE LYS 33 2HE LYS 33 7.019 -2.948 6.682 255 1HZ LYS 33 1HZ LYS 33 4.858 -1.206 7.437 256 2HZ LYS 33 2HZ LYS 33 4.836 -2.688 8.252 257 3HZ LYS 33 3HZ LYS 33 6.207 -1.702 8.327 258 H PHE 34 H PHE 34 4.163 1.070 3.286 259 HA PHE 34 HA PHE 34 2.761 0.981 5.757 260 1HB PHE 34 1HB PHE 34 4.484 2.886 4.404 261 2HB PHE 34 2HB PHE 34 3.370 3.572 5.568 262 HD1 PHE 34 HD1 PHE 34 3.346 2.392 7.899 263 HD2 PHE 34 HD2 PHE 34 6.535 2.108 5.096 264 HE1 PHE 34 HE1 PHE 34 4.881 1.757 9.715 265 HE2 PHE 34 HE2 PHE 34 8.076 1.472 6.906 266 HZ PHE 34 HZ PHE 34 7.250 1.297 9.219 267 H GLU 35 H GLU 35 1.850 1.842 2.590 268 HA GLU 35 HA GLU 35 -0.132 3.758 3.250 269 1HB GLU 35 1HB GLU 35 0.981 2.625 0.917 270 2HB GLU 35 2HB GLU 35 -0.745 2.306 0.846 271 1HG GLU 35 1HG GLU 35 0.685 4.931 0.913 272 2HG GLU 35 2HG GLU 35 -0.511 4.342 -0.240 273 H SER 36 H SER 36 -0.367 0.335 2.313 274 HA SER 36 HA SER 36 -2.944 0.203 3.747 275 1HB SER 36 1HB SER 36 -3.658 -1.411 1.906 276 2HB SER 36 2HB SER 36 -3.518 0.281 1.433 277 HG SER 36 HG SER 36 -1.276 -0.377 0.804 278 H ASN 37 H ASN 37 0.059 -0.847 3.979 279 HA ASN 37 HA ASN 37 1.088 -2.666 4.907 280 1HB ASN 37 1HB ASN 37 -1.101 -2.297 6.423 281 2HB ASN 37 2HB ASN 37 -1.481 -3.892 5.779 282 2HD2 ASN 37 2HD2 ASN 37 -1.024 -5.347 7.256 283 1HD2 ASN 37 1HD2 ASN 37 0.411 -5.408 8.217 284 H PHE 38 H PHE 38 -0.010 -2.683 2.213 285 HA PHE 38 HA PHE 38 -0.018 -3.975 0.402 286 1HB PHE 38 1HB PHE 38 0.894 -6.083 2.359 287 2HB PHE 38 2HB PHE 38 0.722 -6.377 0.631 288 HD1 PHE 38 HD1 PHE 38 1.687 -3.794 -0.447 289 HD2 PHE 38 HD2 PHE 38 3.203 -6.229 2.694 290 HE1 PHE 38 HE1 PHE 38 3.932 -2.878 -0.837 291 HE2 PHE 38 HE2 PHE 38 5.456 -5.314 2.312 292 HZ PHE 38 HZ PHE 38 5.825 -3.643 0.543 293 H ASN 39 H ASN 39 -2.379 -3.629 2.194 294 HA ASN 39 HA ASN 39 -3.901 -6.052 1.868 295 1HB ASN 39 1HB ASN 39 -4.272 -4.472 3.766 296 2HB ASN 39 2HB ASN 39 -4.876 -3.288 2.612 297 2HD2 ASN 39 2HD2 ASN 39 -6.689 -3.580 4.256 298 1HD2 ASN 39 1HD2 ASN 39 -7.904 -4.738 3.843 299 H THR 40 H THR 40 -4.489 -6.643 -0.095 300 HA THR 40 HA THR 40 -4.715 -4.896 -2.305 301 HB THR 40 HB THR 40 -5.083 -6.772 -3.573 302 HG1 THR 40 HG1 THR 40 -6.206 -8.588 -1.971 303 1HG2 THR 40 1HG2 THR 40 -3.390 -7.194 -1.424 304 2HG2 THR 40 2HG2 THR 40 -4.386 -8.648 -1.477 305 3HG2 THR 40 3HG2 THR 40 -3.469 -8.156 -2.900 306 H GLN 41 H GLN 41 -6.860 -6.115 0.077 307 HA GLN 41 HA GLN 41 -9.238 -5.105 -1.255 308 1HB GLN 41 1HB GLN 41 -8.616 -6.954 0.969 309 2HB GLN 41 2HB GLN 41 -10.110 -6.060 1.095 310 1HG GLN 41 1HG GLN 41 -10.526 -6.897 -1.323 311 2HG GLN 41 2HG GLN 41 -9.290 -8.090 -0.925 312 2HE2 GLN 41 2HE2 GLN 41 -10.247 -9.942 -0.505 313 1HE2 GLN 41 1HE2 GLN 41 -11.644 -10.166 0.486 314 H ALA 42 H ALA 42 -6.891 -3.659 0.369 315 HA ALA 42 HA ALA 42 -8.065 -2.346 2.537 316 1HB ALA 42 1HB ALA 42 -5.806 -2.072 2.543 317 2HB ALA 42 2HB ALA 42 -6.283 -0.526 1.841 318 3HB ALA 42 3HB ALA 42 -5.717 -1.831 0.798 319 H THR 43 H THR 43 -9.793 -1.100 2.550 320 HA THR 43 HA THR 43 -10.091 0.968 0.483 321 HB THR 43 HB THR 43 -12.440 0.599 0.275 322 HG1 THR 43 HG1 THR 43 -13.220 -1.409 1.546 323 1HG2 THR 43 1HG2 THR 43 -10.674 -1.760 -0.040 324 2HG2 THR 43 2HG2 THR 43 -12.411 -2.042 -0.166 325 3HG2 THR 43 3HG2 THR 43 -11.625 -0.887 -1.243 326 H ASN 44 H ASN 44 -10.155 2.928 1.491 327 HA ASN 44 HA ASN 44 -11.464 3.096 4.111 328 1HB ASN 44 1HB ASN 44 -8.990 2.870 4.422 329 2HB ASN 44 2HB ASN 44 -8.789 4.373 3.526 330 2HD2 ASN 44 2HD2 ASN 44 -9.758 2.918 6.500 331 1HD2 ASN 44 1HD2 ASN 44 -9.937 4.380 7.404 332 H ARG 45 H ARG 45 -12.981 4.585 4.035 333 HA ARG 45 HA ARG 45 -13.039 6.567 1.945 334 1HB ARG 45 1HB ARG 45 -14.894 5.974 4.252 335 2HB ARG 45 2HB ARG 45 -15.180 7.264 3.092 336 1HG ARG 45 1HG ARG 45 -16.083 5.844 1.655 337 2HG ARG 45 2HG ARG 45 -14.655 4.807 1.710 338 1HD ARG 45 1HD ARG 45 -16.508 3.487 2.398 339 2HD ARG 45 2HD ARG 45 -15.559 3.842 3.841 340 HE ARG 45 HE ARG 45 -17.321 5.760 4.039 341 1HH1 ARG 45 1HH1 ARG 45 -17.863 2.477 3.003 342 2HH1 ARG 45 2HH1 ARG 45 -19.500 2.433 3.570 343 1HH2 ARG 45 1HH2 ARG 45 -19.473 5.709 4.789 344 2HH2 ARG 45 2HH2 ARG 45 -20.415 4.270 4.584 345 H ASN 46 H ASN 46 -12.975 8.798 2.185 346 HA ASN 46 HA ASN 46 -11.695 9.733 4.667 347 1HB ASN 46 1HB ASN 46 -11.578 11.207 2.051 348 2HB ASN 46 2HB ASN 46 -10.485 11.314 3.426 349 2HD2 ASN 46 2HD2 ASN 46 -10.898 10.080 0.386 350 1HD2 ASN 46 1HD2 ASN 46 -9.679 8.856 0.414 351 H THR 47 H THR 47 -12.008 12.247 4.847 352 HA THR 47 HA THR 47 -14.858 12.643 5.151 353 HB THR 47 HB THR 47 -14.208 14.778 6.257 354 HG1 THR 47 HG1 THR 47 -12.241 15.142 5.137 355 1HG2 THR 47 1HG2 THR 47 -14.344 12.507 7.420 356 2HG2 THR 47 2HG2 THR 47 -12.581 12.509 7.377 357 3HG2 THR 47 3HG2 THR 47 -13.442 13.777 8.249 358 H ASP 48 H ASP 48 -12.341 13.640 2.993 359 HA ASP 48 HA ASP 48 -13.594 15.983 1.985 360 1HB ASP 48 1HB ASP 48 -12.015 15.634 0.037 361 2HB ASP 48 2HB ASP 48 -11.256 15.767 1.620 362 H GLY 49 H GLY 49 -14.292 12.696 1.625 363 1HA GLY 49 1HA GLY 49 -16.014 13.312 -0.695 364 2HA GLY 49 2HA GLY 49 -16.432 12.170 0.571 365 H SER 50 H SER 50 -13.213 12.296 -0.763 366 HA SER 50 HA SER 50 -13.672 10.228 -2.701 367 1HB SER 50 1HB SER 50 -11.002 10.231 -2.522 368 2HB SER 50 2HB SER 50 -11.887 11.465 -3.416 369 HG SER 50 HG SER 50 -10.469 12.507 -2.064 370 H THR 51 H THR 51 -11.640 8.484 -2.487 371 HA THR 51 HA THR 51 -11.474 7.320 0.140 372 HB THR 51 HB THR 51 -12.923 5.724 -1.974 373 HG1 THR 51 HG1 THR 51 -14.799 6.309 -1.043 374 1HG2 THR 51 1HG2 THR 51 -12.502 5.257 0.978 375 2HG2 THR 51 2HG2 THR 51 -13.438 4.224 -0.104 376 3HG2 THR 51 3HG2 THR 51 -11.698 4.395 -0.333 377 H ASP 52 H ASP 52 -10.101 5.366 0.156 378 HA ASP 52 HA ASP 52 -8.320 5.272 -2.188 379 1HB ASP 52 1HB ASP 52 -7.515 4.375 0.562 380 2HB ASP 52 2HB ASP 52 -6.495 4.906 -0.771 381 H TYR 53 H TYR 53 -9.176 3.627 -3.344 382 HA TYR 53 HA TYR 53 -9.706 1.111 -1.942 383 1HB TYR 53 1HB TYR 53 -10.496 1.979 -4.726 384 2HB TYR 53 2HB TYR 53 -10.883 0.427 -3.995 385 HD1 TYR 53 HD1 TYR 53 -12.176 0.580 -1.699 386 HD2 TYR 53 HD2 TYR 53 -12.067 3.667 -4.623 387 HE1 TYR 53 HE1 TYR 53 -14.264 1.508 -0.789 388 HE2 TYR 53 HE2 TYR 53 -14.151 4.605 -3.718 389 HH TYR 53 HH TYR 53 -15.877 4.256 -2.322 390 H GLY 54 H GLY 54 -7.328 0.770 -1.796 391 1HA GLY 54 1HA GLY 54 -5.915 0.266 -4.252 392 2HA GLY 54 2HA GLY 54 -6.474 -1.218 -3.509 393 H ILE 55 H ILE 55 -4.159 -1.641 -3.632 394 HA ILE 55 HA ILE 55 -2.931 -1.363 -1.071 395 HB ILE 55 HB ILE 55 -2.548 -3.310 -2.639 396 1HG1 ILE 55 1HG1 ILE 55 -0.046 -1.823 -1.803 397 2HG1 ILE 55 2HG1 ILE 55 -1.033 -2.821 -0.739 398 1HG2 ILE 55 1HG2 ILE 55 -1.871 -1.231 -4.422 399 2HG2 ILE 55 2HG2 ILE 55 -0.402 -2.165 -4.139 400 3HG2 ILE 55 3HG2 ILE 55 -1.860 -2.970 -4.722 401 1HD1 ILE 55 1HD1 ILE 55 -0.467 -4.488 -2.864 402 2HD1 ILE 55 2HD1 ILE 55 1.027 -3.585 -2.618 403 3HD1 ILE 55 3HD1 ILE 55 0.317 -4.494 -1.284 404 H LEU 56 H LEU 56 -3.045 0.431 -3.962 405 HA LEU 56 HA LEU 56 -0.866 2.187 -3.065 406 1HB LEU 56 1HB LEU 56 -1.539 1.121 -5.689 407 2HB LEU 56 2HB LEU 56 -1.476 2.872 -5.704 408 HG LEU 56 HG LEU 56 0.696 2.337 -6.288 409 1HD1 LEU 56 1HD1 LEU 56 0.383 3.508 -3.875 410 2HD1 LEU 56 2HD1 LEU 56 1.394 2.131 -3.436 411 3HD1 LEU 56 3HD1 LEU 56 1.940 3.270 -4.666 412 1HD2 LEU 56 1HD2 LEU 56 0.059 -0.176 -5.425 413 2HD2 LEU 56 2HD2 LEU 56 1.643 0.330 -6.012 414 3HD2 LEU 56 3HD2 LEU 56 1.312 0.300 -4.280 415 H GLN 57 H GLN 57 -4.052 1.858 -2.854 416 HA GLN 57 HA GLN 57 -5.727 3.253 -2.292 417 1HB GLN 57 1HB GLN 57 -3.628 5.393 -2.638 418 2HB GLN 57 2HB GLN 57 -5.256 5.699 -2.052 419 1HG GLN 57 1HG GLN 57 -4.597 3.809 -0.325 420 2HG GLN 57 2HG GLN 57 -2.972 4.372 -0.711 421 2HE2 GLN 57 2HE2 GLN 57 -3.362 7.044 -1.062 422 1HE2 GLN 57 1HE2 GLN 57 -3.871 7.767 0.421 423 H ILE 58 H ILE 58 -6.578 2.443 -4.457 424 HA ILE 58 HA ILE 58 -6.380 4.325 -6.635 425 HB ILE 58 HB ILE 58 -8.321 2.031 -6.476 426 1HG1 ILE 58 1HG1 ILE 58 -6.228 1.020 -5.914 427 2HG1 ILE 58 2HG1 ILE 58 -6.514 0.682 -7.617 428 1HG2 ILE 58 1HG2 ILE 58 -8.416 3.764 -8.316 429 2HG2 ILE 58 2HG2 ILE 58 -6.865 3.128 -8.865 430 3HG2 ILE 58 3HG2 ILE 58 -8.285 2.083 -8.834 431 1HD1 ILE 58 1HD1 ILE 58 -4.988 2.507 -8.215 432 2HD1 ILE 58 2HD1 ILE 58 -4.680 2.792 -6.502 433 3HD1 ILE 58 3HD1 ILE 58 -4.202 1.264 -7.241 434 H ASN 59 H ASN 59 -7.305 6.241 -6.014 435 HA ASN 59 HA ASN 59 -9.736 6.422 -4.590 436 1HB ASN 59 1HB ASN 59 -8.031 8.215 -4.649 437 2HB ASN 59 2HB ASN 59 -8.389 8.484 -6.352 438 2HD2 ASN 59 2HD2 ASN 59 -8.662 10.671 -5.182 439 1HD2 ASN 59 1HD2 ASN 59 -10.280 11.061 -4.717 440 H SER 60 H SER 60 -11.402 5.322 -5.534 441 HA SER 60 HA SER 60 -11.956 5.301 -8.295 442 1HB SER 60 1HB SER 60 -13.883 4.103 -7.752 443 2HB SER 60 2HB SER 60 -12.823 3.756 -6.386 444 HG SER 60 HG SER 60 -14.858 4.340 -5.628 445 H ARG 61 H ARG 61 -12.321 7.790 -6.031 446 HA ARG 61 HA ARG 61 -14.497 9.055 -7.535 447 1HB ARG 61 1HB ARG 61 -14.278 8.887 -4.901 448 2HB ARG 61 2HB ARG 61 -13.270 10.310 -5.119 449 1HG ARG 61 1HG ARG 61 -15.604 10.730 -6.638 450 2HG ARG 61 2HG ARG 61 -16.113 10.107 -5.066 451 1HD ARG 61 1HD ARG 61 -15.251 11.902 -3.923 452 2HD ARG 61 2HD ARG 61 -14.040 12.242 -5.157 453 HE ARG 61 HE ARG 61 -15.769 13.265 -6.480 454 1HH1 ARG 61 1HH1 ARG 61 -16.634 12.513 -3.190 455 2HH1 ARG 61 2HH1 ARG 61 -17.945 13.644 -3.141 456 1HH2 ARG 61 1HH2 ARG 61 -17.493 14.756 -6.425 457 2HH2 ARG 61 2HH2 ARG 61 -18.434 14.917 -4.979 458 H TRP 62 H TRP 62 -11.619 8.731 -8.339 459 HA TRP 62 HA TRP 62 -11.300 11.363 -9.444 460 1HB TRP 62 1HB TRP 62 -10.246 11.262 -7.026 461 2HB TRP 62 2HB TRP 62 -8.910 10.499 -7.883 462 HD1 TRP 62 HD1 TRP 62 -7.381 12.034 -9.373 463 HE1 TRP 62 HE1 TRP 62 -7.216 14.581 -9.698 464 HE3 TRP 62 HE3 TRP 62 -11.742 13.428 -7.098 465 HZ2 TRP 62 HZ2 TRP 62 -8.733 16.879 -9.074 466 HZ3 TRP 62 HZ3 TRP 62 -12.311 15.820 -7.005 467 HH2 TRP 62 HH2 TRP 62 -10.836 17.508 -7.972 468 H TRP 63 H TRP 63 -10.558 8.024 -9.404 469 HA TRP 63 HA TRP 63 -8.934 8.388 -11.826 470 1HB TRP 63 1HB TRP 63 -8.485 6.434 -9.564 471 2HB TRP 63 2HB TRP 63 -7.705 6.289 -11.136 472 HD1 TRP 63 HD1 TRP 63 -6.727 7.349 -7.907 473 HE1 TRP 63 HE1 TRP 63 -4.956 9.223 -7.967 474 HE3 TRP 63 HE3 TRP 63 -7.320 8.838 -12.728 475 HZ2 TRP 63 HZ2 TRP 63 -3.955 11.106 -9.846 476 HZ3 TRP 63 HZ3 TRP 63 -5.975 10.675 -13.595 477 HH2 TRP 63 HH2 TRP 63 -4.300 11.793 -12.186 478 H CYS 64 H CYS 64 -10.202 5.557 -10.137 479 HA CYS 64 HA CYS 64 -11.223 4.575 -12.680 480 1HB CYS 64 1HB CYS 64 -11.300 2.432 -11.722 481 2HB CYS 64 2HB CYS 64 -9.886 3.169 -10.980 482 H ASN 65 H ASN 65 -13.292 3.715 -12.973 483 HA ASN 65 HA ASN 65 -15.344 5.278 -11.599 484 1HB ASN 65 1HB ASN 65 -15.277 5.203 -14.090 485 2HB ASN 65 2HB ASN 65 -15.616 3.477 -14.015 486 2HD2 ASN 65 2HD2 ASN 65 -17.626 3.128 -14.595 487 1HD2 ASN 65 1HD2 ASN 65 -19.004 4.047 -14.103 488 H ASP 66 H ASP 66 -16.011 4.372 -9.756 489 HA ASP 66 HA ASP 66 -16.351 1.471 -9.609 490 1HB ASP 66 1HB ASP 66 -16.483 1.739 -7.226 491 2HB ASP 66 2HB ASP 66 -15.125 2.700 -7.802 492 H GLY 67 H GLY 67 -18.184 4.350 -9.962 493 1HA GLY 67 1HA GLY 67 -20.611 2.861 -10.268 494 2HA GLY 67 2HA GLY 67 -20.436 4.604 -10.398 495 H ARG 68 H ARG 68 -19.171 3.386 -7.500 496 HA ARG 68 HA ARG 68 -21.673 3.528 -6.037 497 1HB ARG 68 1HB ARG 68 -18.889 2.679 -5.434 498 2HB ARG 68 2HB ARG 68 -19.860 3.256 -4.088 499 1HG ARG 68 1HG ARG 68 -21.399 1.423 -5.651 500 2HG ARG 68 2HG ARG 68 -19.844 0.696 -5.239 501 1HD ARG 68 1HD ARG 68 -20.800 0.178 -3.286 502 2HD ARG 68 2HD ARG 68 -20.581 1.881 -2.883 503 HE ARG 68 HE ARG 68 -22.951 1.934 -4.103 504 1HH1 ARG 68 1HH1 ARG 68 -21.697 -0.203 -1.653 505 2HH1 ARG 68 2HH1 ARG 68 -23.246 -0.502 -0.940 506 1HH2 ARG 68 1HH2 ARG 68 -24.993 1.546 -3.170 507 2HH2 ARG 68 2HH2 ARG 68 -25.120 0.491 -1.802 508 H THR 69 H THR 69 -19.606 5.773 -7.211 509 HA THR 69 HA THR 69 -20.421 7.719 -5.183 510 HB THR 69 HB THR 69 -17.632 7.930 -6.239 511 HG1 THR 69 HG1 THR 69 -17.889 5.790 -5.309 512 1HG2 THR 69 1HG2 THR 69 -19.255 9.033 -4.023 513 2HG2 THR 69 2HG2 THR 69 -17.551 8.735 -3.680 514 3HG2 THR 69 3HG2 THR 69 -18.010 9.801 -5.008 515 HA PRO 70 HA PRO 70 -21.406 9.725 -9.080 516 1HB PRO 70 1HB PRO 70 -22.626 11.893 -8.002 517 2HB PRO 70 2HB PRO 70 -23.413 10.314 -8.122 518 1HG PRO 70 1HG PRO 70 -22.058 11.582 -5.771 519 2HG PRO 70 2HG PRO 70 -23.588 10.687 -5.832 520 1HD PRO 70 1HD PRO 70 -21.273 9.564 -4.985 521 2HD PRO 70 2HD PRO 70 -22.533 8.637 -5.826 522 H GLY 71 H GLY 71 -20.348 11.204 -10.296 523 1HA GLY 71 1HA GLY 71 -18.771 13.281 -8.947 524 2HA GLY 71 2HA GLY 71 -19.225 13.276 -10.645 525 H SER 72 H SER 72 -18.373 10.266 -10.458 526 HA SER 72 HA SER 72 -15.597 10.211 -10.040 527 1HB SER 72 1HB SER 72 -16.914 8.163 -10.079 528 2HB SER 72 2HB SER 72 -17.332 8.434 -11.771 529 HG SER 72 HG SER 72 -14.665 8.159 -10.858 530 H ARG 73 H ARG 73 -13.946 10.885 -11.228 531 HA ARG 73 HA ARG 73 -14.411 12.272 -13.696 532 1HB ARG 73 1HB ARG 73 -12.096 11.824 -11.887 533 2HB ARG 73 2HB ARG 73 -11.737 12.220 -13.562 534 1HG ARG 73 1HG ARG 73 -13.385 14.178 -13.206 535 2HG ARG 73 2HG ARG 73 -13.123 13.867 -11.489 536 1HD ARG 73 1HD ARG 73 -10.954 14.565 -11.551 537 2HD ARG 73 2HD ARG 73 -10.727 14.061 -13.227 538 HE ARG 73 HE ARG 73 -12.302 16.450 -12.527 539 1HH1 ARG 73 1HH1 ARG 73 -9.761 14.883 -14.322 540 2HH1 ARG 73 2HH1 ARG 73 -9.427 16.268 -15.307 541 1HH2 ARG 73 1HH2 ARG 73 -11.870 18.279 -13.819 542 2HH2 ARG 73 2HH2 ARG 73 -10.626 18.199 -15.021 543 H ASN 74 H ASN 74 -12.805 9.269 -12.747 544 HA ASN 74 HA ASN 74 -12.246 7.383 -13.914 545 1HB ASN 74 1HB ASN 74 -14.621 7.972 -14.939 546 2HB ASN 74 2HB ASN 74 -13.669 8.358 -16.370 547 2HD2 ASN 74 2HD2 ASN 74 -14.433 6.684 -17.592 548 1HD2 ASN 74 1HD2 ASN 74 -14.062 5.028 -17.269 549 H LEU 75 H LEU 75 -10.642 9.762 -13.938 550 HA LEU 75 HA LEU 75 -9.507 10.533 -16.327 551 1HB LEU 75 1HB LEU 75 -8.707 10.248 -13.504 552 2HB LEU 75 2HB LEU 75 -7.393 10.403 -14.646 553 HG LEU 75 HG LEU 75 -9.702 12.342 -14.306 554 1HD1 LEU 75 1HD1 LEU 75 -8.176 12.312 -12.375 555 2HD1 LEU 75 2HD1 LEU 75 -6.824 12.651 -13.456 556 3HD1 LEU 75 3HD1 LEU 75 -8.114 13.837 -13.259 557 1HD2 LEU 75 1HD2 LEU 75 -7.274 12.372 -16.082 558 2HD2 LEU 75 2HD2 LEU 75 -8.971 12.536 -16.534 559 3HD2 LEU 75 3HD2 LEU 75 -8.160 13.840 -15.668 560 H CYS 76 H CYS 76 -8.547 8.085 -14.126 561 HA CYS 76 HA CYS 76 -6.522 6.879 -15.667 562 1HB CYS 76 1HB CYS 76 -7.443 6.840 -13.106 563 2HB CYS 76 2HB CYS 76 -7.932 5.257 -13.690 564 H ASN 77 H ASN 77 -9.948 6.422 -15.282 565 HA ASN 77 HA ASN 77 -11.505 5.095 -16.303 566 1HB ASN 77 1HB ASN 77 -10.348 6.399 -18.261 567 2HB ASN 77 2HB ASN 77 -9.667 4.826 -18.662 568 2HD2 ASN 77 2HD2 ASN 77 -11.968 6.820 -19.564 569 1HD2 ASN 77 1HD2 ASN 77 -13.210 5.717 -20.035 570 H ILE 78 H ILE 78 -10.193 3.693 -14.545 571 HA ILE 78 HA ILE 78 -9.479 1.193 -15.900 572 HB ILE 78 HB ILE 78 -7.725 0.837 -14.551 573 1HG1 ILE 78 1HG1 ILE 78 -9.594 1.736 -12.446 574 2HG1 ILE 78 2HG1 ILE 78 -8.469 0.386 -12.447 575 1HG2 ILE 78 1HG2 ILE 78 -7.619 3.217 -15.451 576 2HG2 ILE 78 2HG2 ILE 78 -7.970 3.728 -13.799 577 3HG2 ILE 78 3HG2 ILE 78 -6.513 2.796 -14.143 578 1HD1 ILE 78 1HD1 ILE 78 -6.639 2.095 -12.088 579 2HD1 ILE 78 2HD1 ILE 78 -7.928 3.258 -11.775 580 3HD1 ILE 78 3HD1 ILE 78 -7.754 1.835 -10.747 581 HA PRO 79 HA PRO 79 -12.751 -0.720 -13.596 582 1HB PRO 79 1HB PRO 79 -11.466 -3.294 -13.638 583 2HB PRO 79 2HB PRO 79 -12.773 -2.717 -14.671 584 1HG PRO 79 1HG PRO 79 -10.223 -3.268 -15.551 585 2HG PRO 79 2HG PRO 79 -11.352 -2.173 -16.367 586 1HD PRO 79 1HD PRO 79 -9.057 -1.532 -14.560 587 2HD PRO 79 2HD PRO 79 -9.618 -0.686 -16.019 588 H CYS 80 H CYS 80 -12.852 -0.241 -11.467 589 HA CYS 80 HA CYS 80 -10.728 -0.420 -9.666 590 1HB CYS 80 1HB CYS 80 -13.596 -0.576 -8.788 591 2HB CYS 80 2HB CYS 80 -12.245 0.246 -8.012 592 H SER 81 H SER 81 -13.617 -2.534 -9.794 593 HA SER 81 HA SER 81 -12.780 -4.372 -7.899 594 1HB SER 81 1HB SER 81 -14.274 -5.991 -9.331 595 2HB SER 81 2HB SER 81 -15.004 -4.617 -8.496 596 HG SER 81 HG SER 81 -15.238 -5.125 -10.996 597 H ALA 82 H ALA 82 -11.668 -3.995 -11.165 598 HA ALA 82 HA ALA 82 -10.646 -6.648 -11.479 599 1HB ALA 82 1HB ALA 82 -11.206 -5.172 -13.383 600 2HB ALA 82 2HB ALA 82 -9.570 -5.823 -13.467 601 3HB ALA 82 3HB ALA 82 -9.829 -4.154 -12.961 602 H LEU 83 H LEU 83 -9.664 -4.071 -9.605 603 HA LEU 83 HA LEU 83 -6.846 -4.910 -9.623 604 1HB LEU 83 1HB LEU 83 -6.233 -2.821 -8.874 605 2HB LEU 83 2HB LEU 83 -7.613 -2.437 -9.885 606 HG LEU 83 HG LEU 83 -8.800 -2.764 -7.443 607 1HD1 LEU 83 1HD1 LEU 83 -6.007 -2.395 -6.951 608 2HD1 LEU 83 2HD1 LEU 83 -6.902 -0.988 -6.376 609 3HD1 LEU 83 3HD1 LEU 83 -7.325 -2.600 -5.798 610 1HD2 LEU 83 1HD2 LEU 83 -9.139 -0.953 -9.087 611 2HD2 LEU 83 2HD2 LEU 83 -9.010 -0.358 -7.432 612 3HD2 LEU 83 3HD2 LEU 83 -7.642 -0.203 -8.534 613 H LEU 84 H LEU 84 -9.718 -5.270 -7.932 614 HA LEU 84 HA LEU 84 -8.323 -5.889 -5.422 615 1HB LEU 84 1HB LEU 84 -11.295 -5.708 -5.644 616 2HB LEU 84 2HB LEU 84 -10.259 -5.369 -4.269 617 HG LEU 84 HG LEU 84 -10.003 -3.611 -6.648 618 1HD1 LEU 84 1HD1 LEU 84 -12.429 -3.844 -6.364 619 2HD1 LEU 84 2HD1 LEU 84 -12.267 -3.365 -4.676 620 3HD1 LEU 84 3HD1 LEU 84 -11.863 -2.224 -5.958 621 1HD2 LEU 84 1HD2 LEU 84 -8.707 -3.564 -4.386 622 2HD2 LEU 84 2HD2 LEU 84 -9.239 -2.057 -5.133 623 3HD2 LEU 84 3HD2 LEU 84 -10.155 -2.748 -3.795 624 H SER 85 H SER 85 -8.136 -7.678 -7.547 625 HA SER 85 HA SER 85 -9.660 -9.944 -6.471 626 1HB SER 85 1HB SER 85 -9.597 -8.962 -9.215 627 2HB SER 85 2HB SER 85 -9.112 -10.654 -9.107 628 HG SER 85 HG SER 85 -11.570 -9.534 -8.806 629 H SER 86 H SER 86 -7.187 -9.039 -5.712 630 HA SER 86 HA SER 86 -5.184 -9.896 -5.023 631 1HB SER 86 1HB SER 86 -5.705 -12.332 -6.742 632 2HB SER 86 2HB SER 86 -4.654 -12.205 -5.330 633 HG SER 86 HG SER 86 -7.476 -12.243 -5.437 634 H ASP 87 H ASP 87 -5.911 -8.495 -7.528 635 HA ASP 87 HA ASP 87 -3.453 -8.974 -9.067 636 1HB ASP 87 1HB ASP 87 -5.686 -9.604 -10.092 637 2HB ASP 87 2HB ASP 87 -6.064 -7.888 -10.093 638 H ILE 88 H ILE 88 -2.062 -7.312 -8.828 639 HA ILE 88 HA ILE 88 -3.075 -4.701 -8.043 640 HB ILE 88 HB ILE 88 -0.456 -4.238 -8.225 641 1HG1 ILE 88 1HG1 ILE 88 -0.419 -7.102 -7.335 642 2HG1 ILE 88 2HG1 ILE 88 -0.262 -6.712 -9.046 643 1HG2 ILE 88 1HG2 ILE 88 -2.200 -5.268 -6.089 644 2HG2 ILE 88 2HG2 ILE 88 -0.466 -5.326 -5.776 645 3HG2 ILE 88 3HG2 ILE 88 -1.240 -3.791 -6.165 646 1HD1 ILE 88 1HD1 ILE 88 1.497 -5.168 -7.296 647 2HD1 ILE 88 2HD1 ILE 88 1.797 -6.906 -7.292 648 3HD1 ILE 88 3HD1 ILE 88 1.842 -6.007 -8.809 649 H THR 89 H THR 89 -2.486 -6.285 -10.913 650 HA THR 89 HA THR 89 -1.114 -4.589 -12.547 651 HB THR 89 HB THR 89 -3.700 -5.802 -13.485 652 HG1 THR 89 HG1 THR 89 -1.282 -7.106 -12.765 653 1HG2 THR 89 1HG2 THR 89 -1.464 -4.576 -14.733 654 2HG2 THR 89 2HG2 THR 89 -2.880 -5.303 -15.493 655 3HG2 THR 89 3HG2 THR 89 -1.453 -6.286 -15.165 656 H ALA 90 H ALA 90 -4.642 -4.412 -11.988 657 HA ALA 90 HA ALA 90 -5.033 -2.086 -13.437 658 1HB ALA 90 1HB ALA 90 -6.603 -3.749 -11.645 659 2HB ALA 90 2HB ALA 90 -7.065 -2.048 -11.614 660 3HB ALA 90 3HB ALA 90 -7.069 -2.934 -13.138 661 H SER 91 H SER 91 -4.490 -2.554 -9.959 662 HA SER 91 HA SER 91 -4.798 0.154 -9.217 663 1HB SER 91 1HB SER 91 -2.970 -1.014 -7.426 664 2HB SER 91 2HB SER 91 -4.714 -0.854 -7.217 665 HG SER 91 HG SER 91 -4.418 -2.986 -7.093 666 H VAL 92 H VAL 92 -2.074 -1.675 -10.381 667 HA VAL 92 HA VAL 92 -0.203 0.412 -9.804 668 HB VAL 92 HB VAL 92 0.115 -2.027 -11.550 669 1HG1 VAL 92 1HG1 VAL 92 2.031 0.218 -10.923 670 2HG1 VAL 92 2HG1 VAL 92 2.580 -1.372 -11.451 671 3HG1 VAL 92 3HG1 VAL 92 1.553 -0.399 -12.503 672 1HG2 VAL 92 1HG2 VAL 92 -0.040 -2.395 -9.100 673 2HG2 VAL 92 2HG2 VAL 92 1.528 -2.847 -9.770 674 3HG2 VAL 92 3HG2 VAL 92 1.350 -1.332 -8.883 675 H ASN 93 H ASN 93 -1.660 -0.813 -12.826 676 HA ASN 93 HA ASN 93 -0.531 0.814 -14.616 677 1HB ASN 93 1HB ASN 93 -1.998 -0.225 -15.897 678 2HB ASN 93 2HB ASN 93 -2.851 -0.745 -14.467 679 2HD2 ASN 93 2HD2 ASN 93 -2.714 1.583 -17.024 680 1HD2 ASN 93 1HD2 ASN 93 -4.285 2.257 -16.777 681 H CYS 94 H CYS 94 -3.128 1.575 -12.412 682 HA CYS 94 HA CYS 94 -3.629 4.189 -13.348 683 1HB CYS 94 1HB CYS 94 -4.956 2.630 -11.666 684 2HB CYS 94 2HB CYS 94 -4.026 3.526 -10.468 685 H ALA 95 H ALA 95 -1.607 2.970 -10.669 686 HA ALA 95 HA ALA 95 -0.687 5.567 -9.950 687 1HB ALA 95 1HB ALA 95 -0.110 4.445 -8.165 688 2HB ALA 95 2HB ALA 95 1.245 3.787 -9.081 689 3HB ALA 95 3HB ALA 95 -0.280 2.904 -9.004 690 H LYS 96 H LYS 96 0.569 3.061 -12.092 691 HA LYS 96 HA LYS 96 3.105 4.015 -12.582 692 1HB LYS 96 1HB LYS 96 1.523 2.061 -13.688 693 2HB LYS 96 2HB LYS 96 1.629 3.218 -15.008 694 1HG LYS 96 1HG LYS 96 4.218 3.091 -14.292 695 2HG LYS 96 2HG LYS 96 3.691 1.465 -13.852 696 1HD LYS 96 1HD LYS 96 2.760 2.422 -16.474 697 2HD LYS 96 2HD LYS 96 4.503 2.189 -16.334 698 1HE LYS 96 1HE LYS 96 4.281 -0.021 -16.435 699 2HE LYS 96 2HE LYS 96 3.090 -0.012 -15.136 700 1HZ LYS 96 1HZ LYS 96 2.340 0.729 -17.894 701 2HZ LYS 96 2HZ LYS 96 2.382 -0.891 -17.408 702 3HZ LYS 96 3HZ LYS 96 1.346 0.198 -16.634 703 H LYS 97 H LYS 97 -0.016 4.954 -13.648 704 HA LYS 97 HA LYS 97 0.841 7.102 -15.389 705 1HB LYS 97 1HB LYS 97 -1.319 5.722 -15.626 706 2HB LYS 97 2HB LYS 97 -1.952 6.723 -14.327 707 1HG LYS 97 1HG LYS 97 -1.115 8.669 -15.913 708 2HG LYS 97 2HG LYS 97 -1.344 7.422 -17.143 709 1HD LYS 97 1HD LYS 97 -3.622 7.223 -15.599 710 2HD LYS 97 2HD LYS 97 -3.316 8.961 -15.651 711 1HE LYS 97 1HE LYS 97 -2.962 7.684 -18.238 712 2HE LYS 97 2HE LYS 97 -4.587 7.460 -17.592 713 1HZ LYS 97 1HZ LYS 97 -3.213 10.077 -17.882 714 2HZ LYS 97 2HZ LYS 97 -4.390 9.476 -18.936 715 3HZ LYS 97 3HZ LYS 97 -4.796 9.837 -17.335 716 H ILE 98 H ILE 98 -0.202 6.682 -12.084 717 HA ILE 98 HA ILE 98 -0.705 9.371 -11.467 718 HB ILE 98 HB ILE 98 0.114 7.089 -9.701 719 1HG1 ILE 98 1HG1 ILE 98 -2.528 8.553 -9.943 720 2HG1 ILE 98 2HG1 ILE 98 -2.155 7.073 -10.817 721 1HG2 ILE 98 1HG2 ILE 98 -0.407 9.959 -9.040 722 2HG2 ILE 98 2HG2 ILE 98 -0.789 8.689 -7.877 723 3HG2 ILE 98 3HG2 ILE 98 0.866 8.890 -8.452 724 1HD1 ILE 98 1HD1 ILE 98 -1.672 6.094 -8.478 725 2HD1 ILE 98 2HD1 ILE 98 -2.594 7.479 -7.893 726 3HD1 ILE 98 3HD1 ILE 98 -3.344 6.319 -8.990 727 H VAL 99 H VAL 99 2.167 7.384 -11.028 728 HA VAL 99 HA VAL 99 3.807 9.515 -10.095 729 HB VAL 99 HB VAL 99 4.127 6.992 -9.707 730 1HG1 VAL 99 1HG1 VAL 99 4.202 6.545 -12.214 731 2HG1 VAL 99 2HG1 VAL 99 5.839 7.198 -12.166 732 3HG1 VAL 99 3HG1 VAL 99 5.434 5.763 -11.224 733 1HG2 VAL 99 1HG2 VAL 99 5.621 8.824 -8.936 734 2HG2 VAL 99 2HG2 VAL 99 6.461 7.308 -9.259 735 3HG2 VAL 99 3HG2 VAL 99 6.551 8.631 -10.422 736 H SER 100 H SER 100 2.900 8.364 -13.225 737 HA SER 100 HA SER 100 5.129 9.677 -14.559 738 1HB SER 100 1HB SER 100 4.012 7.497 -15.350 739 2HB SER 100 2HB SER 100 2.689 8.522 -15.906 740 HG SER 100 HG SER 100 3.957 9.375 -17.420 741 H ASP 101 H ASP 101 2.181 10.518 -13.269 742 HA ASP 101 HA ASP 101 1.433 12.539 -15.189 743 1HB ASP 101 1HB ASP 101 0.197 11.247 -12.970 744 2HB ASP 101 2HB ASP 101 0.170 12.982 -12.669 745 H GLY 102 H GLY 102 3.795 12.332 -12.875 746 1HA GLY 102 1HA GLY 102 3.791 15.258 -12.450 747 2HA GLY 102 2HA GLY 102 5.247 14.384 -12.894 748 H ASN 103 H ASN 103 3.603 12.362 -10.904 749 HA ASN 103 HA ASN 103 4.150 13.512 -8.356 750 1HB ASN 103 1HB ASN 103 3.121 10.945 -9.378 751 2HB ASN 103 2HB ASN 103 3.950 10.855 -7.826 752 2HD2 ASN 103 2HD2 ASN 103 1.023 11.129 -9.144 753 1HD2 ASN 103 1HD2 ASN 103 0.204 12.026 -7.917 754 H GLY 104 H GLY 104 5.323 10.892 -7.313 755 1HA GLY 104 1HA GLY 104 8.065 11.741 -7.528 756 2HA GLY 104 2HA GLY 104 7.737 10.201 -8.312 757 H MET 105 H MET 105 5.700 9.407 -6.399 758 HA MET 105 HA MET 105 5.688 7.934 -4.648 759 1HB MET 105 1HB MET 105 8.486 8.872 -3.986 760 2HB MET 105 2HB MET 105 7.656 7.481 -3.304 761 1HG MET 105 1HG MET 105 8.860 7.831 -6.006 762 2HG MET 105 2HG MET 105 9.056 6.516 -4.850 763 1HE MET 105 1HE MET 105 6.308 6.010 -3.926 764 2HE MET 105 2HE MET 105 5.327 5.088 -5.065 765 3HE MET 105 3HE MET 105 6.912 4.487 -4.579 766 H ASN 106 H ASN 106 5.616 11.075 -4.809 767 HA ASN 106 HA ASN 106 5.594 11.698 -1.971 768 1HB ASN 106 1HB ASN 106 5.655 13.220 -4.515 769 2HB ASN 106 2HB ASN 106 4.848 13.984 -3.158 770 2HD2 ASN 106 2HD2 ASN 106 7.817 12.173 -3.844 771 1HD2 ASN 106 1HD2 ASN 106 8.856 13.182 -2.903 772 H ALA 107 H ALA 107 3.413 11.135 -4.633 773 HA ALA 107 HA ALA 107 1.082 12.335 -3.731 774 1HB ALA 107 1HB ALA 107 1.718 10.070 -5.514 775 2HB ALA 107 2HB ALA 107 0.073 10.123 -4.879 776 3HB ALA 107 3HB ALA 107 0.710 11.489 -5.795 777 H TRP 108 H TRP 108 2.451 9.190 -2.921 778 HA TRP 108 HA TRP 108 0.291 8.562 -1.109 779 1HB TRP 108 1HB TRP 108 2.904 7.106 -1.575 780 2HB TRP 108 2HB TRP 108 1.490 6.472 -0.735 781 HD1 TRP 108 HD1 TRP 108 -0.524 5.591 -2.209 782 HE1 TRP 108 HE1 TRP 108 -0.792 5.116 -4.725 783 HE3 TRP 108 HE3 TRP 108 3.677 7.942 -3.935 784 HZ2 TRP 108 HZ2 TRP 108 0.589 5.666 -7.133 785 HZ3 TRP 108 HZ3 TRP 108 4.130 7.921 -6.353 786 HH2 TRP 108 HH2 TRP 108 2.621 6.805 -7.914 787 H VAL 109 H VAL 109 0.189 9.221 0.902 788 HA VAL 109 HA VAL 109 2.229 10.753 2.130 789 HB VAL 109 HB VAL 109 0.198 9.712 3.884 790 1HG1 VAL 109 1HG1 VAL 109 1.078 12.480 3.124 791 2HG1 VAL 109 2HG1 VAL 109 -0.072 12.107 4.408 792 3HG1 VAL 109 3HG1 VAL 109 1.599 11.558 4.535 793 1HG2 VAL 109 1HG2 VAL 109 -0.595 11.291 1.453 794 2HG2 VAL 109 2HG2 VAL 109 -1.155 9.681 1.904 795 3HG2 VAL 109 3HG2 VAL 109 -1.618 11.079 2.874 796 H ALA 110 H ALA 110 1.447 7.379 2.281 797 HA ALA 110 HA ALA 110 2.651 6.836 4.789 798 1HB ALA 110 1HB ALA 110 2.620 4.786 2.626 799 2HB ALA 110 2HB ALA 110 2.263 4.618 4.346 800 3HB ALA 110 3HB ALA 110 1.087 5.373 3.270 801 H TRP 111 H TRP 111 3.909 7.482 1.673 802 HA TRP 111 HA TRP 111 6.485 6.278 2.235 803 1HB TRP 111 1HB TRP 111 5.654 6.221 -0.063 804 2HB TRP 111 2HB TRP 111 5.584 7.975 -0.102 805 HD1 TRP 111 HD1 TRP 111 7.968 5.073 -0.503 806 HE1 TRP 111 HE1 TRP 111 10.268 5.953 -1.252 807 HE3 TRP 111 HE3 TRP 111 7.179 10.083 0.150 808 HZ2 TRP 111 HZ2 TRP 111 11.575 8.437 -1.530 809 HZ3 TRP 111 HZ3 TRP 111 9.006 11.643 -0.380 810 HH2 TRP 111 HH2 TRP 111 11.158 10.835 -1.202 811 H ARG 112 H ARG 112 5.006 9.508 2.170 812 HA ARG 112 HA ARG 112 7.550 10.731 2.894 813 1HB ARG 112 1HB ARG 112 5.042 11.605 1.721 814 2HB ARG 112 2HB ARG 112 5.577 12.663 3.017 815 1HG ARG 112 1HG ARG 112 7.597 11.880 1.003 816 2HG ARG 112 2HG ARG 112 6.329 12.993 0.488 817 1HD ARG 112 1HD ARG 112 7.220 13.877 3.013 818 2HD ARG 112 2HD ARG 112 8.660 13.513 2.063 819 HE ARG 112 HE ARG 112 7.393 14.968 0.309 820 1HH1 ARG 112 1HH1 ARG 112 7.550 15.471 3.753 821 2HH1 ARG 112 2HH1 ARG 112 7.381 17.191 3.639 822 1HH2 ARG 112 1HH2 ARG 112 7.171 17.231 0.150 823 2HH2 ARG 112 2HH2 ARG 112 7.165 18.191 1.591 824 H ASN 113 H ASN 113 6.704 8.973 4.793 825 HA ASN 113 HA ASN 113 6.348 10.728 7.063 826 1HB ASN 113 1HB ASN 113 4.050 9.668 6.014 827 2HB ASN 113 2HB ASN 113 4.471 8.475 7.239 828 2HD2 ASN 113 2HD2 ASN 113 3.463 8.828 9.066 829 1HD2 ASN 113 1HD2 ASN 113 3.105 10.370 9.758 830 H ARG 114 H ARG 114 6.028 7.268 6.320 831 HA ARG 114 HA ARG 114 7.877 6.687 8.519 832 1HB ARG 114 1HB ARG 114 5.646 5.230 7.216 833 2HB ARG 114 2HB ARG 114 6.981 4.267 7.823 834 1HG ARG 114 1HG ARG 114 5.710 6.316 9.581 835 2HG ARG 114 2HG ARG 114 4.933 4.749 9.341 836 1HD ARG 114 1HD ARG 114 6.213 4.174 11.113 837 2HD ARG 114 2HD ARG 114 7.430 3.929 9.861 838 HE ARG 114 HE ARG 114 7.245 6.506 11.261 839 1HH1 ARG 114 1HH1 ARG 114 9.021 3.627 10.422 840 2HH1 ARG 114 2HH1 ARG 114 10.527 4.223 11.036 841 1HH2 ARG 114 1HH2 ARG 114 9.223 7.298 12.070 842 2HH2 ARG 114 2HH2 ARG 114 10.643 6.309 11.973 843 H CYS 115 H CYS 115 8.053 7.192 5.294 844 HA CYS 115 HA CYS 115 10.148 5.155 4.934 845 1HB CYS 115 1HB CYS 115 8.089 5.142 3.405 846 2HB CYS 115 2HB CYS 115 8.778 6.592 2.678 847 H LYS 116 H LYS 116 9.312 8.523 4.113 848 HA LYS 116 HA LYS 116 11.677 9.282 2.921 849 1HB LYS 116 1HB LYS 116 9.438 10.581 3.390 850 2HB LYS 116 2HB LYS 116 10.314 11.173 4.795 851 1HG LYS 116 1HG LYS 116 11.733 11.335 2.214 852 2HG LYS 116 2HG LYS 116 10.335 12.393 2.413 853 1HD LYS 116 1HD LYS 116 12.223 12.282 4.681 854 2HD LYS 116 2HD LYS 116 12.819 13.049 3.208 855 1HE LYS 116 1HE LYS 116 10.207 13.764 4.526 856 2HE LYS 116 2HE LYS 116 11.726 14.597 4.856 857 1HZ LYS 116 1HZ LYS 116 11.328 14.446 2.073 858 2HZ LYS 116 2HZ LYS 116 9.933 15.081 2.787 859 3HZ LYS 116 3HZ LYS 116 11.431 15.821 3.052 860 H GLY 117 H GLY 117 13.551 8.523 3.815 861 1HA GLY 117 1HA GLY 117 14.169 9.493 6.537 862 2HA GLY 117 2HA GLY 117 15.331 9.561 5.222 863 H THR 118 H THR 118 13.927 6.751 4.561 864 HA THR 118 HA THR 118 15.638 5.236 6.419 865 HB THR 118 HB THR 118 14.131 3.334 6.143 866 HG1 THR 118 HG1 THR 118 11.999 4.459 5.041 867 1HG2 THR 118 1HG2 THR 118 12.767 5.908 6.929 868 2HG2 THR 118 2HG2 THR 118 12.096 4.306 7.233 869 3HG2 THR 118 3HG2 THR 118 13.619 4.782 7.985 870 H ASP 119 H ASP 119 15.096 2.783 4.818 871 HA ASP 119 HA ASP 119 16.589 3.384 2.380 872 1HB ASP 119 1HB ASP 119 17.945 2.508 4.418 873 2HB ASP 119 2HB ASP 119 17.310 0.977 3.866 874 H VAL 120 H VAL 120 15.116 2.884 0.880 875 HA VAL 120 HA VAL 120 13.297 0.699 1.124 876 HB VAL 120 HB VAL 120 12.679 1.235 -1.217 877 1HG1 VAL 120 1HG1 VAL 120 11.692 2.415 0.742 878 2HG1 VAL 120 2HG1 VAL 120 12.866 3.708 0.495 879 3HG1 VAL 120 3HG1 VAL 120 11.668 3.355 -0.750 880 1HG2 VAL 120 1HG2 VAL 120 15.184 2.133 -1.541 881 2HG2 VAL 120 2HG2 VAL 120 13.839 2.640 -2.562 882 3HG2 VAL 120 3HG2 VAL 120 14.366 3.663 -1.225 883 H GLN 121 H GLN 121 16.411 1.236 -0.369 884 HA GLN 121 HA GLN 121 16.483 -0.972 -2.098 885 1HB GLN 121 1HB GLN 121 18.545 0.702 -0.725 886 2HB GLN 121 2HB GLN 121 19.058 -0.805 -1.471 887 1HG GLN 121 1HG GLN 121 19.401 0.699 -3.167 888 2HG GLN 121 2HG GLN 121 17.789 0.095 -3.549 889 2HE2 GLN 121 2HE2 GLN 121 16.600 1.685 -4.304 890 1HE2 GLN 121 1HE2 GLN 121 16.523 3.292 -3.675 891 H ALA 122 H ALA 122 16.634 -0.686 1.310 892 HA ALA 122 HA ALA 122 17.701 -3.363 1.710 893 1HB ALA 122 1HB ALA 122 18.117 -1.208 3.166 894 2HB ALA 122 2HB ALA 122 18.016 -2.803 3.911 895 3HB ALA 122 3HB ALA 122 16.623 -1.722 3.949 896 H TRP 123 H TRP 123 14.679 -1.714 1.476 897 HA TRP 123 HA TRP 123 13.057 -3.442 3.006 898 1HB TRP 123 1HB TRP 123 12.589 -1.472 0.828 899 2HB TRP 123 2HB TRP 123 11.310 -2.638 1.148 900 HD1 TRP 123 HD1 TRP 123 11.738 0.706 1.876 901 HE1 TRP 123 HE1 TRP 123 10.881 1.409 4.200 902 HE3 TRP 123 HE3 TRP 123 11.505 -3.868 4.114 903 HZ2 TRP 123 HZ2 TRP 123 10.207 0.154 6.625 904 HZ3 TRP 123 HZ3 TRP 123 10.746 -4.040 6.428 905 HH2 TRP 123 HH2 TRP 123 10.103 -2.046 7.671 906 H ILE 124 H ILE 124 14.673 -3.918 0.045 907 HA ILE 124 HA ILE 124 13.143 -6.397 -0.408 908 HB ILE 124 HB ILE 124 13.789 -6.181 -2.827 909 1HG1 ILE 124 1HG1 ILE 124 14.008 -3.317 -2.847 910 2HG1 ILE 124 2HG1 ILE 124 15.274 -3.989 -1.824 911 1HG2 ILE 124 1HG2 ILE 124 11.558 -5.522 -1.730 912 2HG2 ILE 124 2HG2 ILE 124 12.087 -3.860 -1.997 913 3HG2 ILE 124 3HG2 ILE 124 11.888 -4.954 -3.367 914 1HD1 ILE 124 1HD1 ILE 124 14.902 -5.330 -4.409 915 2HD1 ILE 124 2HD1 ILE 124 15.485 -3.668 -4.485 916 3HD1 ILE 124 3HD1 ILE 124 16.380 -4.875 -3.562 917 H ARG 125 H ARG 125 15.824 -5.466 0.914 918 HA ARG 125 HA ARG 125 17.897 -6.765 -0.516 919 1HB ARG 125 1HB ARG 125 18.039 -5.010 1.391 920 2HB ARG 125 2HB ARG 125 17.926 -6.398 2.464 921 1HG ARG 125 1HG ARG 125 19.917 -6.740 0.369 922 2HG ARG 125 2HG ARG 125 20.234 -5.355 1.416 923 1HD ARG 125 1HD ARG 125 19.614 -7.153 3.285 924 2HD ARG 125 2HD ARG 125 20.211 -8.251 2.042 925 HE ARG 125 HE ARG 125 21.752 -6.265 3.513 926 1HH1 ARG 125 1HH1 ARG 125 21.629 -8.617 0.944 927 2HH1 ARG 125 2HH1 ARG 125 23.351 -8.764 0.823 928 1HH2 ARG 125 1HH2 ARG 125 24.019 -6.453 3.361 929 2HH2 ARG 125 2HH2 ARG 125 24.709 -7.535 2.197 930 H GLY 126 H GLY 126 17.611 -8.866 -1.033 931 1HA GLY 126 1HA GLY 126 17.201 -10.733 1.216 932 2HA GLY 126 2HA GLY 126 18.147 -11.097 -0.220 933 H CYS 127 H CYS 127 15.417 -9.396 -1.102 934 HA CYS 127 HA CYS 127 13.459 -11.411 -1.075 935 1HB CYS 127 1HB CYS 127 13.769 -8.793 -2.303 936 2HB CYS 127 2HB CYS 127 12.589 -9.849 -3.050 937 H ARG 128 H ARG 128 12.378 -11.747 -3.473 938 HA ARG 128 HA ARG 128 14.506 -12.998 -5.084 939 1HB ARG 128 1HB ARG 128 12.342 -14.236 -3.804 940 2HB ARG 128 2HB ARG 128 11.903 -14.184 -5.506 941 1HG ARG 128 1HG ARG 128 14.559 -15.017 -5.480 942 2HG ARG 128 2HG ARG 128 13.792 -15.878 -4.144 943 1HD ARG 128 1HD ARG 128 12.443 -17.079 -5.515 944 2HD ARG 128 2HD ARG 128 12.282 -15.767 -6.681 945 HE ARG 128 HE ARG 128 14.913 -16.816 -6.713 946 1HH1 ARG 128 1HH1 ARG 128 11.657 -17.531 -7.725 947 2HH1 ARG 128 2HH1 ARG 128 12.151 -18.520 -9.059 948 1HH2 ARG 128 1HH2 ARG 128 15.573 -18.115 -8.466 949 2HH2 ARG 128 2HH2 ARG 128 14.378 -18.852 -9.480 950 H LEU 129 H LEU 129 14.485 -10.818 -6.121 951 HA LEU 129 HA LEU 129 12.612 -10.852 -8.367 952 1HB LEU 129 1HB LEU 129 12.317 -8.397 -8.194 953 2HB LEU 129 2HB LEU 129 11.599 -9.286 -6.865 954 HG LEU 129 HG LEU 129 14.165 -8.642 -5.975 955 1HD1 LEU 129 1HD1 LEU 129 13.933 -7.004 -8.032 956 2HD1 LEU 129 2HD1 LEU 129 12.986 -6.068 -6.874 957 3HD1 LEU 129 3HD1 LEU 129 14.662 -6.483 -6.513 958 1HD2 LEU 129 1HD2 LEU 129 11.749 -8.637 -4.929 959 2HD2 LEU 129 2HD2 LEU 129 13.043 -7.654 -4.244 960 3HD2 LEU 129 3HD2 LEU 129 11.838 -6.915 -5.300 No H/Q in entry = 960 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -7.377 -9.488 1.701 2 H2 LYS 1 H2 LYS 1 -7.808 -10.025 0.155 3 H3 LYS 1 H3 LYS 1 -8.122 -10.995 1.506 4 HA LYS 1 HA LYS 1 -5.908 -11.538 1.826 5 1HB LYS 1 1HB LYS 1 -6.093 -11.312 -1.174 6 2HB LYS 1 2HB LYS 1 -5.304 -12.565 -0.227 7 1HG LYS 1 1HG LYS 1 -7.415 -13.449 0.478 8 2HG LYS 1 2HG LYS 1 -8.278 -12.102 -0.268 9 1HD LYS 1 1HD LYS 1 -6.499 -13.842 -1.927 10 2HD LYS 1 2HD LYS 1 -8.124 -14.388 -1.508 11 1HE LYS 1 1HE LYS 1 -7.466 -11.780 -2.871 12 2HE LYS 1 2HE LYS 1 -8.028 -13.235 -3.690 13 1HZ LYS 1 1HZ LYS 1 -9.599 -12.046 -1.495 14 2HZ LYS 1 2HZ LYS 1 -9.729 -11.440 -3.068 15 3HZ LYS 1 3HZ LYS 1 -10.119 -13.055 -2.748 16 H VAL 2 H VAL 2 -3.978 -10.700 2.269 17 HA VAL 2 HA VAL 2 -3.184 -8.202 0.939 18 HB VAL 2 HB VAL 2 -2.329 -9.431 3.563 19 1HG1 VAL 2 1HG1 VAL 2 -0.660 -7.975 1.980 20 2HG1 VAL 2 2HG1 VAL 2 -1.414 -6.713 2.952 21 3HG1 VAL 2 3HG1 VAL 2 -0.568 -8.044 3.740 22 1HG2 VAL 2 1HG2 VAL 2 -4.333 -7.508 2.789 23 2HG2 VAL 2 2HG2 VAL 2 -4.055 -8.274 4.353 24 3HG2 VAL 2 3HG2 VAL 2 -3.179 -6.805 3.922 25 H PHE 3 H PHE 3 -1.229 -8.011 -0.145 26 HA PHE 3 HA PHE 3 0.045 -10.420 -1.018 27 1HB PHE 3 1HB PHE 3 0.697 -7.492 -1.409 28 2HB PHE 3 2HB PHE 3 1.669 -8.787 -2.089 29 HD1 PHE 3 HD1 PHE 3 -0.038 -10.642 -3.274 30 HD2 PHE 3 HD2 PHE 3 -0.585 -6.439 -2.936 31 HE1 PHE 3 HE1 PHE 3 -1.476 -10.671 -5.267 32 HE2 PHE 3 HE2 PHE 3 -2.019 -6.456 -4.924 33 HZ PHE 3 HZ PHE 3 -2.469 -8.575 -6.098 34 H GLY 4 H GLY 4 2.491 -10.552 -0.911 35 1HA GLY 4 1HA GLY 4 4.134 -11.188 0.647 36 2HA GLY 4 2HA GLY 4 3.303 -10.236 1.873 37 H ARG 5 H ARG 5 6.132 -10.192 1.278 38 HA ARG 5 HA ARG 5 6.379 -7.332 0.782 39 1HB ARG 5 1HB ARG 5 8.439 -9.340 1.719 40 2HB ARG 5 2HB ARG 5 8.687 -7.601 1.611 41 1HG ARG 5 1HG ARG 5 6.930 -7.256 3.285 42 2HG ARG 5 2HG ARG 5 6.715 -9.004 3.405 43 1HD ARG 5 1HD ARG 5 9.488 -8.179 3.720 44 2HD ARG 5 2HD ARG 5 8.422 -7.462 4.927 45 HE ARG 5 HE ARG 5 9.117 -10.257 4.649 46 1HH1 ARG 5 1HH1 ARG 5 6.944 -7.917 6.044 47 2HH1 ARG 5 2HH1 ARG 5 6.421 -8.971 7.316 48 1HH2 ARG 5 1HH2 ARG 5 8.433 -11.650 6.319 49 2HH2 ARG 5 2HH2 ARG 5 7.268 -11.092 7.472 50 H CYS 6 H CYS 6 8.067 -10.283 -0.316 51 HA CYS 6 HA CYS 6 9.095 -8.811 -2.580 52 1HB CYS 6 1HB CYS 6 9.378 -11.774 -2.266 53 2HB CYS 6 2HB CYS 6 10.462 -10.612 -3.025 54 H GLU 7 H GLU 7 6.652 -11.279 -1.950 55 HA GLU 7 HA GLU 7 6.070 -12.157 -4.486 56 1HB GLU 7 1HB GLU 7 4.576 -11.845 -1.997 57 2HB GLU 7 2HB GLU 7 3.548 -11.673 -3.412 58 1HG GLU 7 1HG GLU 7 5.424 -13.987 -3.104 59 2HG GLU 7 2HG GLU 7 3.809 -13.996 -2.397 60 H LEU 8 H LEU 8 4.833 -9.252 -2.899 61 HA LEU 8 HA LEU 8 3.501 -8.198 -5.149 62 1HB LEU 8 1HB LEU 8 3.035 -7.525 -2.820 63 2HB LEU 8 2HB LEU 8 4.611 -6.769 -2.731 64 HG LEU 8 HG LEU 8 2.455 -5.340 -3.162 65 1HD1 LEU 8 1HD1 LEU 8 5.204 -5.070 -4.226 66 2HD1 LEU 8 2HD1 LEU 8 3.993 -3.922 -4.795 67 3HD1 LEU 8 3HD1 LEU 8 4.327 -4.068 -3.069 68 1HD2 LEU 8 1HD2 LEU 8 1.933 -6.802 -5.212 69 2HD2 LEU 8 2HD2 LEU 8 1.773 -5.053 -5.368 70 3HD2 LEU 8 3HD2 LEU 8 3.195 -5.869 -6.017 71 H ALA 9 H ALA 9 6.792 -7.755 -3.853 72 HA ALA 9 HA ALA 9 7.551 -5.662 -5.574 73 1HB ALA 9 1HB ALA 9 9.422 -7.751 -4.504 74 2HB ALA 9 2HB ALA 9 8.780 -6.427 -3.530 75 3HB ALA 9 3HB ALA 9 9.784 -6.080 -4.939 76 H ALA 10 H ALA 10 8.128 -9.175 -5.919 77 HA ALA 10 HA ALA 10 9.444 -9.162 -8.332 78 1HB ALA 10 1HB ALA 10 9.259 -11.387 -8.180 79 2HB ALA 10 2HB ALA 10 7.496 -11.319 -8.165 80 3HB ALA 10 3HB ALA 10 8.401 -11.100 -6.667 81 H ALA 11 H ALA 11 5.987 -8.955 -7.648 82 HA ALA 11 HA ALA 11 5.125 -9.100 -10.322 83 1HB ALA 11 1HB ALA 11 3.881 -8.109 -7.803 84 2HB ALA 11 2HB ALA 11 3.416 -9.482 -8.806 85 3HB ALA 11 3HB ALA 11 3.081 -7.839 -9.351 86 H MET 12 H MET 12 6.159 -6.554 -8.292 87 HA MET 12 HA MET 12 5.446 -4.349 -9.904 88 1HB MET 12 1HB MET 12 7.905 -4.423 -8.178 89 2HB MET 12 2HB MET 12 6.910 -3.041 -8.570 90 1HG MET 12 1HG MET 12 5.097 -4.606 -7.337 91 2HG MET 12 2HG MET 12 6.571 -5.068 -6.489 92 1HE MET 12 1HE MET 12 4.870 -2.178 -8.083 93 2HE MET 12 2HE MET 12 4.696 -0.953 -6.826 94 3HE MET 12 3HE MET 12 6.210 -1.090 -7.719 95 H LYS 13 H LYS 13 8.497 -6.151 -9.642 96 HA LYS 13 HA LYS 13 10.025 -4.773 -11.476 97 1HB LYS 13 1HB LYS 13 10.420 -6.996 -9.992 98 2HB LYS 13 2HB LYS 13 10.242 -7.727 -11.581 99 1HG LYS 13 1HG LYS 13 12.006 -5.437 -11.655 100 2HG LYS 13 2HG LYS 13 12.549 -6.651 -10.494 101 1HD LYS 13 1HD LYS 13 13.283 -7.948 -12.144 102 2HD LYS 13 2HD LYS 13 11.683 -7.953 -12.889 103 1HE LYS 13 1HE LYS 13 12.904 -7.012 -14.578 104 2HE LYS 13 2HE LYS 13 12.424 -5.560 -13.699 105 1HZ LYS 13 1HZ LYS 13 14.882 -6.758 -12.774 106 2HZ LYS 13 2HZ LYS 13 14.952 -6.181 -14.362 107 3HZ LYS 13 3HZ LYS 13 14.523 -5.137 -13.102 108 H ARG 14 H ARG 14 7.835 -7.501 -12.065 109 HA ARG 14 HA ARG 14 8.188 -7.594 -14.854 110 1HB ARG 14 1HB ARG 14 6.835 -9.109 -13.012 111 2HB ARG 14 2HB ARG 14 5.515 -8.330 -13.874 112 1HG ARG 14 1HG ARG 14 6.271 -9.223 -15.964 113 2HG ARG 14 2HG ARG 14 7.734 -9.860 -15.211 114 1HD ARG 14 1HD ARG 14 6.485 -11.447 -13.948 115 2HD ARG 14 2HD ARG 14 4.957 -10.694 -14.401 116 HE ARG 14 HE ARG 14 5.083 -11.724 -16.480 117 1HH1 ARG 14 1HH1 ARG 14 7.970 -12.314 -14.620 118 2HH1 ARG 14 2HH1 ARG 14 8.537 -13.577 -15.660 119 1HH2 ARG 14 1HH2 ARG 14 5.821 -13.386 -17.854 120 2HH2 ARG 14 2HH2 ARG 14 7.316 -14.187 -17.498 121 H HIS 15 H HIS 15 5.994 -5.764 -12.771 122 HA HIS 15 HA HIS 15 4.466 -4.711 -14.929 123 1HB HIS 15 1HB HIS 15 4.597 -4.313 -11.985 124 2HB HIS 15 2HB HIS 15 3.857 -3.037 -12.944 125 HD1 HIS 15 HD1 HIS 15 2.448 -5.117 -10.898 126 HD2 HIS 15 HD2 HIS 15 2.298 -5.150 -15.051 127 HE1 HIS 15 HE1 HIS 15 0.348 -6.370 -11.485 128 HE2 HIS 15 HE2 HIS 15 0.324 -6.453 -14.002 129 H GLY 16 H GLY 16 7.623 -4.045 -14.047 130 1HA GLY 16 1HA GLY 16 7.649 -1.737 -15.681 131 2HA GLY 16 2HA GLY 16 9.012 -2.450 -14.849 132 H LEU 17 H LEU 17 7.518 -2.071 -12.145 133 HA LEU 17 HA LEU 17 7.504 0.828 -12.064 134 1HB LEU 17 1HB LEU 17 7.185 -0.915 -9.653 135 2HB LEU 17 2HB LEU 17 6.566 0.700 -9.922 136 HG LEU 17 HG LEU 17 5.423 -1.917 -10.662 137 1HD1 LEU 17 1HD1 LEU 17 4.723 0.305 -9.122 138 2HD1 LEU 17 2HD1 LEU 17 3.621 0.320 -10.499 139 3HD1 LEU 17 3HD1 LEU 17 3.730 -1.110 -9.473 140 1HD2 LEU 17 1HD2 LEU 17 5.303 0.474 -12.482 141 2HD2 LEU 17 2HD2 LEU 17 5.653 -1.205 -12.892 142 3HD2 LEU 17 3HD2 LEU 17 4.016 -0.731 -12.438 143 H ASP 18 H ASP 18 9.776 -1.474 -11.892 144 HA ASP 18 HA ASP 18 11.383 -0.438 -9.762 145 1HB ASP 18 1HB ASP 18 11.933 -2.634 -10.123 146 2HB ASP 18 2HB ASP 18 11.737 -2.517 -11.862 147 H ASN 19 H ASN 19 11.786 1.657 -10.012 148 HA ASN 19 HA ASN 19 12.818 3.560 -10.670 149 1HB ASN 19 1HB ASN 19 14.604 1.469 -11.361 150 2HB ASN 19 2HB ASN 19 14.604 2.604 -12.707 151 2HD2 ASN 19 2HD2 ASN 19 16.220 1.856 -10.050 152 1HD2 ASN 19 1HD2 ASN 19 16.795 3.411 -9.565 153 H TYR 20 H TYR 20 10.472 2.723 -11.969 154 HA TYR 20 HA TYR 20 10.625 3.206 -14.770 155 1HB TYR 20 1HB TYR 20 8.682 2.104 -13.602 156 2HB TYR 20 2HB TYR 20 8.257 3.675 -12.933 157 HD1 TYR 20 HD1 TYR 20 8.860 1.999 -16.216 158 HD2 TYR 20 HD2 TYR 20 6.751 5.012 -14.078 159 HE1 TYR 20 HE1 TYR 20 7.531 2.487 -18.226 160 HE2 TYR 20 HE2 TYR 20 5.415 5.508 -16.082 161 HH TYR 20 HH TYR 20 5.530 5.251 -18.482 162 H ARG 21 H ARG 21 9.523 5.243 -15.730 163 HA ARG 21 HA ARG 21 10.858 7.461 -15.574 164 1HB ARG 21 1HB ARG 21 8.022 6.967 -16.013 165 2HB ARG 21 2HB ARG 21 8.323 8.587 -15.401 166 1HG ARG 21 1HG ARG 21 9.509 9.221 -17.261 167 2HG ARG 21 2HG ARG 21 9.966 7.565 -17.665 168 1HD ARG 21 1HD ARG 21 7.097 7.917 -17.723 169 2HD ARG 21 2HD ARG 21 7.906 9.062 -18.792 170 HE ARG 21 HE ARG 21 8.161 6.131 -18.954 171 1HH1 ARG 21 1HH1 ARG 21 8.301 9.299 -20.398 172 2HH1 ARG 21 2HH1 ARG 21 8.572 8.698 -22.000 173 1HH2 ARG 21 1HH2 ARG 21 8.518 5.331 -21.059 174 2HH2 ARG 21 2HH2 ARG 21 8.695 6.442 -22.376 175 H GLY 22 H GLY 22 8.561 6.502 -13.109 176 1HA GLY 22 1HA GLY 22 8.063 7.388 -11.037 177 2HA GLY 22 2HA GLY 22 8.970 8.829 -11.473 178 H TYR 23 H TYR 23 9.004 5.859 -9.761 179 HA TYR 23 HA TYR 23 11.854 6.252 -9.160 180 1HB TYR 23 1HB TYR 23 9.565 6.029 -7.241 181 2HB TYR 23 2HB TYR 23 11.196 5.591 -6.748 182 HD1 TYR 23 HD1 TYR 23 9.299 8.391 -8.320 183 HD2 TYR 23 HD2 TYR 23 12.601 7.237 -5.898 184 HE1 TYR 23 HE1 TYR 23 9.781 10.756 -7.866 185 HE2 TYR 23 HE2 TYR 23 13.092 9.602 -5.436 186 HH TYR 23 HH TYR 23 12.689 11.770 -6.290 187 H SER 24 H SER 24 12.606 4.466 -7.559 188 HA SER 24 HA SER 24 12.446 2.018 -9.048 189 1HB SER 24 1HB SER 24 14.282 1.274 -7.682 190 2HB SER 24 2HB SER 24 14.587 2.945 -8.156 191 HG SER 24 HG SER 24 13.704 1.966 -5.653 192 H LEU 25 H LEU 25 12.317 -0.056 -7.938 193 HA LEU 25 HA LEU 25 9.908 -0.677 -6.931 194 1HB LEU 25 1HB LEU 25 12.549 -1.905 -6.934 195 2HB LEU 25 2HB LEU 25 11.551 -2.455 -5.602 196 HG LEU 25 HG LEU 25 10.383 -2.434 -8.336 197 1HD1 LEU 25 1HD1 LEU 25 12.807 -3.752 -7.761 198 2HD1 LEU 25 2HD1 LEU 25 11.546 -4.984 -7.800 199 3HD1 LEU 25 3HD1 LEU 25 11.786 -3.924 -9.188 200 1HD2 LEU 25 1HD2 LEU 25 10.102 -4.144 -5.872 201 2HD2 LEU 25 2HD2 LEU 25 8.924 -3.015 -6.542 202 3HD2 LEU 25 3HD2 LEU 25 9.313 -4.500 -7.409 203 H GLY 26 H GLY 26 12.768 -0.134 -4.847 204 1HA GLY 26 1HA GLY 26 12.903 0.788 -2.741 205 2HA GLY 26 2HA GLY 26 11.754 -0.486 -2.377 206 H ASN 27 H ASN 27 11.216 2.425 -4.331 207 HA ASN 27 HA ASN 27 9.871 3.845 -2.265 208 1HB ASN 27 1HB ASN 27 9.653 4.262 -5.250 209 2HB ASN 27 2HB ASN 27 9.233 5.424 -3.994 210 2HD2 ASN 27 2HD2 ASN 27 11.928 3.544 -5.290 211 1HD2 ASN 27 1HD2 ASN 27 13.151 4.703 -4.908 212 H TRP 28 H TRP 28 8.831 1.684 -4.811 213 HA TRP 28 HA TRP 28 6.037 2.138 -4.553 214 1HB TRP 28 1HB TRP 28 7.576 -0.184 -5.690 215 2HB TRP 28 2HB TRP 28 5.832 0.041 -5.839 216 HD1 TRP 28 HD1 TRP 28 9.087 1.110 -7.329 217 HE1 TRP 28 HE1 TRP 28 8.673 2.765 -9.242 218 HE3 TRP 28 HE3 TRP 28 4.110 1.935 -6.593 219 HZ2 TRP 28 HZ2 TRP 28 6.504 4.223 -10.327 220 HZ3 TRP 28 HZ3 TRP 28 2.919 3.462 -8.106 221 HH2 TRP 28 HH2 TRP 28 4.095 4.586 -9.942 222 H VAL 29 H VAL 29 8.206 -0.396 -3.281 223 HA VAL 29 HA VAL 29 6.191 -1.826 -1.940 224 HB VAL 29 HB VAL 29 9.143 -1.669 -1.314 225 1HG1 VAL 29 1HG1 VAL 29 7.030 -2.969 0.055 226 2HG1 VAL 29 2HG1 VAL 29 8.014 -4.207 -0.726 227 3HG1 VAL 29 3HG1 VAL 29 8.762 -3.051 0.375 228 1HG2 VAL 29 1HG2 VAL 29 7.584 -3.449 -3.175 229 2HG2 VAL 29 2HG2 VAL 29 8.903 -2.349 -3.576 230 3HG2 VAL 29 3HG2 VAL 29 9.226 -3.805 -2.636 231 H CYS 30 H CYS 30 8.523 0.581 -0.812 232 HA CYS 30 HA CYS 30 7.794 0.637 1.866 233 1HB CYS 30 1HB CYS 30 9.736 1.792 0.585 234 2HB CYS 30 2HB CYS 30 8.597 3.117 0.380 235 H ALA 31 H ALA 31 6.591 2.632 -0.822 236 HA ALA 31 HA ALA 31 4.765 4.141 0.703 237 1HB ALA 31 1HB ALA 31 5.009 3.566 -2.229 238 2HB ALA 31 2HB ALA 31 3.689 4.542 -1.585 239 3HB ALA 31 3HB ALA 31 5.360 5.059 -1.358 240 H ALA 32 H ALA 32 4.308 1.214 -1.261 241 HA ALA 32 HA ALA 32 1.513 1.038 -0.841 242 1HB ALA 32 1HB ALA 32 2.387 -0.087 -2.719 243 2HB ALA 32 2HB ALA 32 1.845 -1.348 -1.612 244 3HB ALA 32 3HB ALA 32 3.562 -0.967 -1.743 245 H LYS 33 H LYS 33 4.217 -0.761 0.626 246 HA LYS 33 HA LYS 33 2.895 -2.431 2.311 247 1HB LYS 33 1HB LYS 33 5.339 -2.385 2.043 248 2HB LYS 33 2HB LYS 33 5.408 -0.888 2.960 249 1HG LYS 33 1HG LYS 33 4.771 -1.962 4.959 250 2HG LYS 33 2HG LYS 33 4.276 -3.424 4.101 251 1HD LYS 33 1HD LYS 33 6.688 -3.663 3.381 252 2HD LYS 33 2HD LYS 33 7.069 -2.381 4.532 253 1HE LYS 33 1HE LYS 33 7.455 -4.512 5.578 254 2HE LYS 33 2HE LYS 33 6.052 -3.752 6.326 255 1HZ LYS 33 1HZ LYS 33 4.648 -5.131 4.845 256 2HZ LYS 33 2HZ LYS 33 6.037 -5.939 4.319 257 3HZ LYS 33 3HZ LYS 33 5.564 -6.039 5.941 258 H PHE 34 H PHE 34 3.971 0.857 3.183 259 HA PHE 34 HA PHE 34 2.540 0.766 5.636 260 1HB PHE 34 1HB PHE 34 4.217 2.703 4.268 261 2HB PHE 34 2HB PHE 34 3.077 3.372 5.418 262 HD1 PHE 34 HD1 PHE 34 3.079 2.248 7.766 263 HD2 PHE 34 HD2 PHE 34 6.281 1.967 4.976 264 HE1 PHE 34 HE1 PHE 34 4.621 1.682 9.599 265 HE2 PHE 34 HE2 PHE 34 7.828 1.399 6.803 266 HZ PHE 34 HZ PHE 34 6.999 1.257 9.118 267 H GLU 35 H GLU 35 1.654 1.579 2.450 268 HA GLU 35 HA GLU 35 -0.385 3.451 3.009 269 1HB GLU 35 1HB GLU 35 0.715 2.070 0.744 270 2HB GLU 35 2HB GLU 35 -1.040 1.995 0.680 271 1HG GLU 35 1HG GLU 35 -1.258 4.306 0.555 272 2HG GLU 35 2HG GLU 35 0.373 4.587 1.169 273 H SER 36 H SER 36 -0.545 0.000 2.188 274 HA SER 36 HA SER 36 -3.136 -0.151 3.595 275 1HB SER 36 1HB SER 36 -3.771 -1.826 1.760 276 2HB SER 36 2HB SER 36 -3.701 -0.130 1.283 277 HG SER 36 HG SER 36 -1.473 -1.835 1.003 278 H ASN 37 H ASN 37 -0.111 -1.150 3.877 279 HA ASN 37 HA ASN 37 0.929 -2.946 4.841 280 1HB ASN 37 1HB ASN 37 -1.210 -2.603 6.371 281 2HB ASN 37 2HB ASN 37 -1.698 -4.136 5.654 282 2HD2 ASN 37 2HD2 ASN 37 -1.369 -5.645 7.120 283 1HD2 ASN 37 1HD2 ASN 37 0.074 -5.864 8.043 284 H PHE 38 H PHE 38 -0.106 -2.960 2.140 285 HA PHE 38 HA PHE 38 -0.051 -4.227 0.317 286 1HB PHE 38 1HB PHE 38 0.822 -6.336 2.284 287 2HB PHE 38 2HB PHE 38 0.648 -6.657 0.561 288 HD1 PHE 38 HD1 PHE 38 1.678 -4.350 -0.748 289 HD2 PHE 38 HD2 PHE 38 3.065 -6.228 2.807 290 HE1 PHE 38 HE1 PHE 38 3.923 -3.436 -1.153 291 HE2 PHE 38 HE2 PHE 38 5.316 -5.314 2.411 292 HZ PHE 38 HZ PHE 38 5.750 -3.922 0.427 293 H ASN 39 H ASN 39 -2.446 -3.918 2.106 294 HA ASN 39 HA ASN 39 -3.986 -6.305 1.557 295 1HB ASN 39 1HB ASN 39 -4.349 -4.983 3.634 296 2HB ASN 39 2HB ASN 39 -4.905 -3.636 2.647 297 2HD2 ASN 39 2HD2 ASN 39 -6.765 -4.037 4.174 298 1HD2 ASN 39 1HD2 ASN 39 -8.002 -5.110 3.623 299 H THR 40 H THR 40 -4.591 -6.647 -0.447 300 HA THR 40 HA THR 40 -4.748 -4.651 -2.440 301 HB THR 40 HB THR 40 -5.109 -6.363 -3.919 302 HG1 THR 40 HG1 THR 40 -6.459 -7.998 -2.045 303 1HG2 THR 40 1HG2 THR 40 -3.387 -6.997 -1.932 304 2HG2 THR 40 2HG2 THR 40 -4.470 -8.388 -1.890 305 3HG2 THR 40 3HG2 THR 40 -3.629 -7.970 -3.382 306 H GLN 41 H GLN 41 -6.866 -5.747 -0.061 307 HA GLN 41 HA GLN 41 -9.211 -4.619 -1.407 308 1HB GLN 41 1HB GLN 41 -8.736 -6.798 0.531 309 2HB GLN 41 2HB GLN 41 -10.201 -5.875 0.750 310 1HG GLN 41 1HG GLN 41 -9.634 -6.796 -1.990 311 2HG GLN 41 2HG GLN 41 -10.033 -8.039 -0.806 312 2HE2 GLN 41 2HE2 GLN 41 -11.206 -5.500 -2.769 313 1HE2 GLN 41 1HE2 GLN 41 -12.871 -5.618 -2.325 314 H ALA 42 H ALA 42 -6.890 -3.546 0.581 315 HA ALA 42 HA ALA 42 -8.275 -2.477 2.787 316 1HB ALA 42 1HB ALA 42 -5.610 -2.248 1.637 317 2HB ALA 42 2HB ALA 42 -6.122 -2.299 3.324 318 3HB ALA 42 3HB ALA 42 -6.164 -0.776 2.436 319 H THR 43 H THR 43 -9.458 -0.738 3.066 320 HA THR 43 HA THR 43 -9.552 1.312 0.951 321 HB THR 43 HB THR 43 -11.857 1.427 0.987 322 HG1 THR 43 HG1 THR 43 -13.095 0.601 2.792 323 1HG2 THR 43 1HG2 THR 43 -11.153 -1.434 1.611 324 2HG2 THR 43 2HG2 THR 43 -12.779 -0.935 1.147 325 3HG2 THR 43 3HG2 THR 43 -11.433 -0.699 0.033 326 H ASN 44 H ASN 44 -9.414 3.426 1.676 327 HA ASN 44 HA ASN 44 -9.825 3.962 4.516 328 1HB ASN 44 1HB ASN 44 -7.213 4.212 3.072 329 2HB ASN 44 2HB ASN 44 -7.599 5.347 4.362 330 2HD2 ASN 44 2HD2 ASN 44 -8.575 4.141 6.350 331 1HD2 ASN 44 1HD2 ASN 44 -7.655 2.780 6.885 332 H ARG 45 H ARG 45 -11.202 5.602 4.573 333 HA ARG 45 HA ARG 45 -11.395 7.467 2.371 334 1HB ARG 45 1HB ARG 45 -13.283 8.421 3.726 335 2HB ARG 45 2HB ARG 45 -13.467 6.728 3.292 336 1HG ARG 45 1HG ARG 45 -13.390 6.033 5.427 337 2HG ARG 45 2HG ARG 45 -12.175 7.228 5.884 338 1HD ARG 45 1HD ARG 45 -13.719 8.756 6.499 339 2HD ARG 45 2HD ARG 45 -14.832 8.304 5.209 340 HE ARG 45 HE ARG 45 -14.631 6.319 7.266 341 1HH1 ARG 45 1HH1 ARG 45 -16.180 9.299 6.338 342 2HH1 ARG 45 2HH1 ARG 45 -17.569 9.039 7.340 343 1HH2 ARG 45 1HH2 ARG 45 -16.456 5.969 8.587 344 2HH2 ARG 45 2HH2 ARG 45 -17.726 7.147 8.619 345 H ASN 46 H ASN 46 -10.767 9.552 2.334 346 HA ASN 46 HA ASN 46 -9.247 10.531 4.652 347 1HB ASN 46 1HB ASN 46 -9.119 11.746 1.909 348 2HB ASN 46 2HB ASN 46 -7.911 11.777 3.189 349 2HD2 ASN 46 2HD2 ASN 46 -8.620 10.500 0.273 350 1HD2 ASN 46 1HD2 ASN 46 -7.665 9.063 0.334 351 H THR 47 H THR 47 -9.187 13.073 4.601 352 HA THR 47 HA THR 47 -11.929 13.905 5.028 353 HB THR 47 HB THR 47 -10.895 16.012 5.893 354 HG1 THR 47 HG1 THR 47 -8.534 15.785 6.244 355 1HG2 THR 47 1HG2 THR 47 -10.443 13.303 6.970 356 2HG2 THR 47 2HG2 THR 47 -9.476 14.584 7.700 357 3HG2 THR 47 3HG2 THR 47 -11.236 14.699 7.703 358 H ASP 48 H ASP 48 -9.585 14.186 2.556 359 HA ASP 48 HA ASP 48 -10.322 16.682 1.454 360 1HB ASP 48 1HB ASP 48 -9.263 15.774 -0.642 361 2HB ASP 48 2HB ASP 48 -8.240 15.721 0.788 362 H GLY 49 H GLY 49 -11.975 13.747 1.607 363 1HA GLY 49 1HA GLY 49 -13.950 14.749 -0.326 364 2HA GLY 49 2HA GLY 49 -14.269 13.593 0.958 365 H SER 50 H SER 50 -12.465 11.665 0.624 366 HA SER 50 HA SER 50 -13.448 10.258 -1.643 367 1HB SER 50 1HB SER 50 -10.922 9.915 -2.454 368 2HB SER 50 2HB SER 50 -11.953 11.189 -3.104 369 HG SER 50 HG SER 50 -9.748 11.358 -1.442 370 H THR 51 H THR 51 -11.633 8.298 -1.980 371 HA THR 51 HA THR 51 -10.881 7.308 0.667 372 HB THR 51 HB THR 51 -12.367 5.423 -1.113 373 HG1 THR 51 HG1 THR 51 -13.950 6.902 -0.947 374 1HG2 THR 51 1HG2 THR 51 -11.082 4.896 1.096 375 2HG2 THR 51 2HG2 THR 51 -12.516 5.570 1.871 376 3HG2 THR 51 3HG2 THR 51 -12.663 4.169 0.810 377 H ASP 52 H ASP 52 -9.692 5.192 0.497 378 HA ASP 52 HA ASP 52 -8.082 5.098 -1.970 379 1HB ASP 52 1HB ASP 52 -7.217 4.670 0.897 380 2HB ASP 52 2HB ASP 52 -6.203 4.332 -0.503 381 H TYR 53 H TYR 53 -9.280 3.484 -2.919 382 HA TYR 53 HA TYR 53 -9.536 0.962 -1.466 383 1HB TYR 53 1HB TYR 53 -10.646 1.665 -4.186 384 2HB TYR 53 2HB TYR 53 -11.054 0.265 -3.206 385 HD1 TYR 53 HD1 TYR 53 -12.115 0.782 -0.877 386 HD2 TYR 53 HD2 TYR 53 -12.000 3.541 -4.111 387 HE1 TYR 53 HE1 TYR 53 -14.004 2.007 0.110 388 HE2 TYR 53 HE2 TYR 53 -13.892 4.773 -3.137 389 HH TYR 53 HH TYR 53 -15.648 3.554 -0.369 390 H GLY 54 H GLY 54 -7.151 0.544 -1.633 391 1HA GLY 54 1HA GLY 54 -6.005 0.204 -4.216 392 2HA GLY 54 2HA GLY 54 -6.567 -1.332 -3.577 393 H ILE 55 H ILE 55 -4.274 -1.913 -3.742 394 HA ILE 55 HA ILE 55 -2.975 -1.751 -1.217 395 HB ILE 55 HB ILE 55 -2.636 -3.644 -2.843 396 1HG1 ILE 55 1HG1 ILE 55 -0.137 -2.153 -1.995 397 2HG1 ILE 55 2HG1 ILE 55 -1.056 -3.281 -1.003 398 1HG2 ILE 55 1HG2 ILE 55 -1.974 -1.503 -4.583 399 2HG2 ILE 55 2HG2 ILE 55 -0.542 -2.517 -4.404 400 3HG2 ILE 55 3HG2 ILE 55 -2.063 -3.227 -4.947 401 1HD1 ILE 55 1HD1 ILE 55 -0.485 -4.775 -3.221 402 2HD1 ILE 55 2HD1 ILE 55 0.964 -3.787 -3.032 403 3HD1 ILE 55 3HD1 ILE 55 0.408 -4.801 -1.701 404 H LEU 56 H LEU 56 -3.002 0.106 -4.103 405 HA LEU 56 HA LEU 56 -0.807 1.799 -3.131 406 1HB LEU 56 1HB LEU 56 -1.377 0.760 -5.725 407 2HB LEU 56 2HB LEU 56 -1.595 2.497 -5.787 408 HG LEU 56 HG LEU 56 0.643 2.172 -6.424 409 1HD1 LEU 56 1HD1 LEU 56 0.370 3.898 -4.689 410 2HD1 LEU 56 2HD1 LEU 56 0.762 2.699 -3.457 411 3HD1 LEU 56 3HD1 LEU 56 1.968 3.152 -4.660 412 1HD2 LEU 56 1HD2 LEU 56 0.494 -0.071 -4.538 413 2HD2 LEU 56 2HD2 LEU 56 1.401 0.095 -6.042 414 3HD2 LEU 56 3HD2 LEU 56 2.037 0.783 -4.547 415 H GLN 57 H GLN 57 -3.956 1.549 -2.799 416 HA GLN 57 HA GLN 57 -5.577 2.968 -2.131 417 1HB GLN 57 1HB GLN 57 -3.555 5.156 -2.632 418 2HB GLN 57 2HB GLN 57 -5.079 5.341 -1.776 419 1HG GLN 57 1HG GLN 57 -4.205 3.571 -0.172 420 2HG GLN 57 2HG GLN 57 -2.633 3.832 -0.926 421 2HE2 GLN 57 2HE2 GLN 57 -4.180 4.518 1.736 422 1HE2 GLN 57 1HE2 GLN 57 -3.624 6.120 2.067 423 H ILE 58 H ILE 58 -6.557 2.186 -4.240 424 HA ILE 58 HA ILE 58 -6.432 4.063 -6.424 425 HB ILE 58 HB ILE 58 -8.371 1.777 -6.189 426 1HG1 ILE 58 1HG1 ILE 58 -6.239 0.784 -5.708 427 2HG1 ILE 58 2HG1 ILE 58 -6.628 0.414 -7.385 428 1HG2 ILE 58 1HG2 ILE 58 -8.611 3.457 -8.017 429 2HG2 ILE 58 2HG2 ILE 58 -7.025 2.963 -8.607 430 3HG2 ILE 58 3HG2 ILE 58 -8.355 1.805 -8.577 431 1HD1 ILE 58 1HD1 ILE 58 -5.160 2.833 -7.354 432 2HD1 ILE 58 2HD1 ILE 58 -4.318 1.667 -6.332 433 3HD1 ILE 58 3HD1 ILE 58 -4.689 1.265 -8.008 434 H ASN 59 H ASN 59 -7.314 5.979 -5.759 435 HA ASN 59 HA ASN 59 -9.723 6.175 -4.286 436 1HB ASN 59 1HB ASN 59 -8.014 7.965 -4.367 437 2HB ASN 59 2HB ASN 59 -8.382 8.227 -6.069 438 2HD2 ASN 59 2HD2 ASN 59 -8.603 10.406 -4.793 439 1HD2 ASN 59 1HD2 ASN 59 -10.226 10.816 -4.366 440 H SER 60 H SER 60 -11.404 5.072 -5.223 441 HA SER 60 HA SER 60 -11.953 5.039 -7.985 442 1HB SER 60 1HB SER 60 -13.904 3.857 -7.435 443 2HB SER 60 2HB SER 60 -12.796 3.461 -6.121 444 HG SER 60 HG SER 60 -13.904 5.481 -5.160 445 H ARG 61 H ARG 61 -12.386 7.520 -5.703 446 HA ARG 61 HA ARG 61 -14.548 8.753 -7.255 447 1HB ARG 61 1HB ARG 61 -14.401 8.557 -4.616 448 2HB ARG 61 2HB ARG 61 -13.426 10.011 -4.791 449 1HG ARG 61 1HG ARG 61 -15.248 11.153 -5.883 450 2HG ARG 61 2HG ARG 61 -16.224 9.683 -5.854 451 1HD ARG 61 1HD ARG 61 -16.018 9.729 -3.346 452 2HD ARG 61 2HD ARG 61 -15.301 11.331 -3.509 453 HE ARG 61 HE ARG 61 -17.782 11.197 -4.873 454 1HH1 ARG 61 1HH1 ARG 61 -16.403 11.409 -1.680 455 2HH1 ARG 61 2HH1 ARG 61 -17.779 12.210 -0.999 456 1HH2 ARG 61 1HH2 ARG 61 -19.598 12.251 -3.985 457 2HH2 ARG 61 2HH2 ARG 61 -19.595 12.688 -2.309 458 H TRP 62 H TRP 62 -11.678 8.509 -8.041 459 HA TRP 62 HA TRP 62 -11.386 11.189 -9.039 460 1HB TRP 62 1HB TRP 62 -10.223 10.745 -6.593 461 2HB TRP 62 2HB TRP 62 -8.886 10.460 -7.704 462 HD1 TRP 62 HD1 TRP 62 -11.616 13.209 -7.309 463 HE1 TRP 62 HE1 TRP 62 -10.489 15.491 -7.696 464 HE3 TRP 62 HE3 TRP 62 -6.863 11.608 -8.304 465 HZ2 TRP 62 HZ2 TRP 62 -7.924 16.481 -8.337 466 HZ3 TRP 62 HZ3 TRP 62 -5.132 13.286 -8.795 467 HH2 TRP 62 HH2 TRP 62 -5.653 15.672 -8.812 468 H TRP 63 H TRP 63 -10.653 7.861 -9.185 469 HA TRP 63 HA TRP 63 -9.028 8.360 -11.580 470 1HB TRP 63 1HB TRP 63 -8.504 6.330 -9.404 471 2HB TRP 63 2HB TRP 63 -7.738 6.267 -10.987 472 HD1 TRP 63 HD1 TRP 63 -6.751 7.204 -7.729 473 HE1 TRP 63 HE1 TRP 63 -5.017 9.113 -7.719 474 HE3 TRP 63 HE3 TRP 63 -7.425 8.910 -12.473 475 HZ2 TRP 63 HZ2 TRP 63 -4.071 11.098 -9.514 476 HZ3 TRP 63 HZ3 TRP 63 -6.117 10.813 -13.261 477 HH2 TRP 63 HH2 TRP 63 -4.452 11.891 -11.814 478 H CYS 64 H CYS 64 -10.280 5.482 -9.955 479 HA CYS 64 HA CYS 64 -11.235 4.517 -12.532 480 1HB CYS 64 1HB CYS 64 -11.245 2.367 -11.635 481 2HB CYS 64 2HB CYS 64 -9.919 3.129 -10.765 482 H ASN 65 H ASN 65 -13.281 3.608 -12.864 483 HA ASN 65 HA ASN 65 -15.390 5.103 -11.490 484 1HB ASN 65 1HB ASN 65 -15.175 5.044 -14.029 485 2HB ASN 65 2HB ASN 65 -15.698 3.365 -13.940 486 2HD2 ASN 65 2HD2 ASN 65 -16.622 6.672 -13.200 487 1HD2 ASN 65 1HD2 ASN 65 -18.328 6.405 -13.261 488 H ASP 66 H ASP 66 -16.071 4.099 -9.706 489 HA ASP 66 HA ASP 66 -16.352 1.189 -9.698 490 1HB ASP 66 1HB ASP 66 -16.530 1.343 -7.307 491 2HB ASP 66 2HB ASP 66 -15.180 2.351 -7.817 492 H GLY 67 H GLY 67 -18.241 4.031 -9.989 493 1HA GLY 67 1HA GLY 67 -20.626 2.508 -10.396 494 2HA GLY 67 2HA GLY 67 -20.489 4.257 -10.441 495 H ARG 68 H ARG 68 -19.284 2.857 -7.578 496 HA ARG 68 HA ARG 68 -21.810 2.892 -6.171 497 1HB ARG 68 1HB ARG 68 -19.000 2.501 -5.125 498 2HB ARG 68 2HB ARG 68 -20.479 2.242 -4.211 499 1HG ARG 68 1HG ARG 68 -19.914 0.748 -6.749 500 2HG ARG 68 2HG ARG 68 -19.307 0.199 -5.186 501 1HD ARG 68 1HD ARG 68 -22.137 0.894 -5.136 502 2HD ARG 68 2HD ARG 68 -21.764 -0.403 -6.272 503 HE ARG 68 HE ARG 68 -20.800 -0.579 -3.507 504 1HH1 ARG 68 1HH1 ARG 68 -22.827 -1.761 -6.083 505 2HH1 ARG 68 2HH1 ARG 68 -23.206 -3.246 -5.277 506 1HH2 ARG 68 1HH2 ARG 68 -21.293 -2.533 -2.439 507 2HH2 ARG 68 2HH2 ARG 68 -22.334 -3.685 -3.206 508 H THR 69 H THR 69 -19.726 5.237 -7.161 509 HA THR 69 HA THR 69 -20.716 7.087 -5.126 510 HB THR 69 HB THR 69 -17.865 7.414 -5.942 511 HG1 THR 69 HG1 THR 69 -18.169 6.024 -3.596 512 1HG2 THR 69 1HG2 THR 69 -19.671 8.288 -3.759 513 2HG2 THR 69 2HG2 THR 69 -17.973 8.046 -3.348 514 3HG2 THR 69 3HG2 THR 69 -18.420 9.183 -4.621 515 HA PRO 70 HA PRO 70 -21.445 9.240 -8.996 516 1HB PRO 70 1HB PRO 70 -22.701 11.389 -7.910 517 2HB PRO 70 2HB PRO 70 -23.497 9.828 -8.147 518 1HG PRO 70 1HG PRO 70 -22.284 10.979 -5.664 519 2HG PRO 70 2HG PRO 70 -23.815 10.106 -5.860 520 1HD PRO 70 1HD PRO 70 -21.578 8.918 -4.912 521 2HD PRO 70 2HD PRO 70 -22.782 8.044 -5.880 522 H GLY 71 H GLY 71 -20.497 10.941 -10.083 523 1HA GLY 71 1HA GLY 71 -18.870 12.842 -8.561 524 2HA GLY 71 2HA GLY 71 -19.310 12.981 -10.257 525 H SER 72 H SER 72 -18.470 9.921 -10.189 526 HA SER 72 HA SER 72 -15.694 9.849 -9.805 527 1HB SER 72 1HB SER 72 -17.250 7.865 -10.030 528 2HB SER 72 2HB SER 72 -17.232 8.145 -11.771 529 HG SER 72 HG SER 72 -14.722 8.142 -10.940 530 H ARG 73 H ARG 73 -14.087 10.712 -10.922 531 HA ARG 73 HA ARG 73 -14.566 12.143 -13.352 532 1HB ARG 73 1HB ARG 73 -12.408 11.876 -11.414 533 2HB ARG 73 2HB ARG 73 -11.811 11.946 -13.065 534 1HG ARG 73 1HG ARG 73 -13.769 13.951 -12.841 535 2HG ARG 73 2HG ARG 73 -12.761 14.058 -11.396 536 1HD ARG 73 1HD ARG 73 -10.765 14.189 -12.765 537 2HD ARG 73 2HD ARG 73 -11.726 13.978 -14.227 538 HE ARG 73 HE ARG 73 -11.734 16.358 -12.499 539 1HH1 ARG 73 1HH1 ARG 73 -12.476 14.785 -15.518 540 2HH1 ARG 73 2HH1 ARG 73 -12.904 16.255 -16.327 541 1HH2 ARG 73 1HH2 ARG 73 -12.297 18.298 -13.555 542 2HH2 ARG 73 2HH2 ARG 73 -12.803 18.252 -15.211 543 H ASN 74 H ASN 74 -12.874 9.156 -12.505 544 HA ASN 74 HA ASN 74 -12.246 7.336 -13.740 545 1HB ASN 74 1HB ASN 74 -14.636 7.915 -14.767 546 2HB ASN 74 2HB ASN 74 -13.671 8.336 -16.178 547 2HD2 ASN 74 2HD2 ASN 74 -14.520 6.650 -17.381 548 1HD2 ASN 74 1HD2 ASN 74 -14.082 5.003 -17.099 549 H LEU 75 H LEU 75 -10.738 9.781 -13.667 550 HA LEU 75 HA LEU 75 -9.612 10.678 -16.019 551 1HB LEU 75 1HB LEU 75 -8.833 10.341 -13.198 552 2HB LEU 75 2HB LEU 75 -7.515 10.587 -14.318 553 HG LEU 75 HG LEU 75 -9.900 12.418 -13.908 554 1HD1 LEU 75 1HD1 LEU 75 -8.246 12.333 -12.033 555 2HD1 LEU 75 2HD1 LEU 75 -7.024 12.915 -13.163 556 3HD1 LEU 75 3HD1 LEU 75 -8.425 13.917 -12.788 557 1HD2 LEU 75 1HD2 LEU 75 -8.225 12.193 -16.133 558 2HD2 LEU 75 2HD2 LEU 75 -9.332 13.513 -15.757 559 3HD2 LEU 75 3HD2 LEU 75 -7.644 13.605 -15.252 560 H CYS 76 H CYS 76 -8.670 8.154 -13.912 561 HA CYS 76 HA CYS 76 -6.540 7.108 -15.466 562 1HB CYS 76 1HB CYS 76 -7.412 6.991 -12.900 563 2HB CYS 76 2HB CYS 76 -7.860 5.398 -13.494 564 H ASN 77 H ASN 77 -9.941 6.503 -15.103 565 HA ASN 77 HA ASN 77 -11.434 5.128 -16.154 566 1HB ASN 77 1HB ASN 77 -10.039 6.434 -18.097 567 2HB ASN 77 2HB ASN 77 -9.743 4.758 -18.549 568 2HD2 ASN 77 2HD2 ASN 77 -11.810 7.331 -18.854 569 1HD2 ASN 77 1HD2 ASN 77 -13.206 6.495 -19.434 570 H ILE 78 H ILE 78 -10.095 3.755 -14.396 571 HA ILE 78 HA ILE 78 -9.238 1.312 -15.769 572 HB ILE 78 HB ILE 78 -7.536 1.002 -14.347 573 1HG1 ILE 78 1HG1 ILE 78 -9.553 1.715 -12.317 574 2HG1 ILE 78 2HG1 ILE 78 -8.332 0.449 -12.292 575 1HG2 ILE 78 1HG2 ILE 78 -7.448 3.383 -15.172 576 2HG2 ILE 78 2HG2 ILE 78 -7.990 3.863 -13.564 577 3HG2 ILE 78 3HG2 ILE 78 -6.457 3.013 -13.761 578 1HD1 ILE 78 1HD1 ILE 78 -6.648 2.206 -11.740 579 2HD1 ILE 78 2HD1 ILE 78 -7.984 3.346 -11.576 580 3HD1 ILE 78 3HD1 ILE 78 -7.882 1.947 -10.508 581 HA PRO 79 HA PRO 79 -12.572 -0.770 -13.716 582 1HB PRO 79 1HB PRO 79 -11.187 -3.299 -13.807 583 2HB PRO 79 2HB PRO 79 -12.493 -2.734 -14.848 584 1HG PRO 79 1HG PRO 79 -9.916 -3.152 -15.699 585 2HG PRO 79 2HG PRO 79 -11.056 -2.043 -16.480 586 1HD PRO 79 1HD PRO 79 -8.824 -1.445 -14.580 587 2HD PRO 79 2HD PRO 79 -9.363 -0.539 -16.012 588 H CYS 80 H CYS 80 -12.779 -0.375 -11.575 589 HA CYS 80 HA CYS 80 -10.724 -0.602 -9.691 590 1HB CYS 80 1HB CYS 80 -13.614 -0.806 -8.916 591 2HB CYS 80 2HB CYS 80 -12.301 0.032 -8.095 592 H SER 81 H SER 81 -13.606 -2.705 -10.011 593 HA SER 81 HA SER 81 -12.846 -4.613 -8.156 594 1HB SER 81 1HB SER 81 -14.509 -6.032 -9.105 595 2HB SER 81 2HB SER 81 -15.088 -4.379 -9.309 596 HG SER 81 HG SER 81 -14.563 -4.459 -11.449 597 H ALA 82 H ALA 82 -11.661 -4.167 -11.405 598 HA ALA 82 HA ALA 82 -10.611 -6.812 -11.712 599 1HB ALA 82 1HB ALA 82 -11.159 -4.991 -13.510 600 2HB ALA 82 2HB ALA 82 -9.844 -6.138 -13.766 601 3HB ALA 82 3HB ALA 82 -9.491 -4.499 -13.219 602 H LEU 83 H LEU 83 -9.675 -4.204 -9.849 603 HA LEU 83 HA LEU 83 -6.852 -5.027 -9.816 604 1HB LEU 83 1HB LEU 83 -6.259 -2.923 -9.131 605 2HB LEU 83 2HB LEU 83 -7.672 -2.554 -10.100 606 HG LEU 83 HG LEU 83 -8.797 -2.877 -7.637 607 1HD1 LEU 83 1HD1 LEU 83 -6.389 -3.074 -6.777 608 2HD1 LEU 83 2HD1 LEU 83 -6.281 -1.341 -7.092 609 3HD1 LEU 83 3HD1 LEU 83 -7.476 -1.958 -5.950 610 1HD2 LEU 83 1HD2 LEU 83 -9.099 -1.047 -9.312 611 2HD2 LEU 83 2HD2 LEU 83 -9.060 -0.505 -7.634 612 3HD2 LEU 83 3HD2 LEU 83 -7.644 -0.290 -8.664 613 H LEU 84 H LEU 84 -9.744 -5.387 -8.165 614 HA LEU 84 HA LEU 84 -8.382 -5.974 -5.628 615 1HB LEU 84 1HB LEU 84 -11.348 -5.820 -5.846 616 2HB LEU 84 2HB LEU 84 -10.303 -5.399 -4.502 617 HG LEU 84 HG LEU 84 -10.112 -3.743 -6.960 618 1HD1 LEU 84 1HD1 LEU 84 -12.606 -4.239 -6.091 619 2HD1 LEU 84 2HD1 LEU 84 -12.172 -2.891 -5.039 620 3HD1 LEU 84 3HD1 LEU 84 -12.098 -2.702 -6.791 621 1HD2 LEU 84 1HD2 LEU 84 -8.855 -3.606 -4.627 622 2HD2 LEU 84 2HD2 LEU 84 -9.265 -2.167 -5.561 623 3HD2 LEU 84 3HD2 LEU 84 -10.281 -2.658 -4.206 624 H SER 85 H SER 85 -8.181 -7.782 -7.744 625 HA SER 85 HA SER 85 -9.699 -10.039 -6.649 626 1HB SER 85 1HB SER 85 -9.897 -11.025 -8.890 627 2HB SER 85 2HB SER 85 -10.647 -9.429 -8.857 628 HG SER 85 HG SER 85 -9.239 -8.763 -10.265 629 H SER 86 H SER 86 -7.211 -9.096 -5.955 630 HA SER 86 HA SER 86 -5.205 -9.949 -5.265 631 1HB SER 86 1HB SER 86 -6.370 -12.200 -5.307 632 2HB SER 86 2HB SER 86 -5.785 -12.393 -6.960 633 HG SER 86 HG SER 86 -4.258 -12.154 -4.585 634 H ASP 87 H ASP 87 -5.996 -8.610 -7.822 635 HA ASP 87 HA ASP 87 -3.536 -9.068 -9.360 636 1HB ASP 87 1HB ASP 87 -5.787 -9.693 -10.356 637 2HB ASP 87 2HB ASP 87 -6.153 -7.975 -10.360 638 H ILE 88 H ILE 88 -2.137 -7.406 -9.111 639 HA ILE 88 HA ILE 88 -3.139 -4.797 -8.316 640 HB ILE 88 HB ILE 88 -0.519 -4.344 -8.537 641 1HG1 ILE 88 1HG1 ILE 88 -0.445 -7.195 -7.631 642 2HG1 ILE 88 2HG1 ILE 88 -0.392 -6.845 -9.355 643 1HG2 ILE 88 1HG2 ILE 88 -2.142 -5.529 -6.340 644 2HG2 ILE 88 2HG2 ILE 88 -0.410 -5.287 -6.106 645 3HG2 ILE 88 3HG2 ILE 88 -1.448 -3.914 -6.489 646 1HD1 ILE 88 1HD1 ILE 88 1.462 -5.205 -7.862 647 2HD1 ILE 88 2HD1 ILE 88 1.748 -6.929 -7.624 648 3HD1 ILE 88 3HD1 ILE 88 1.741 -6.253 -9.253 649 H THR 89 H THR 89 -2.569 -6.374 -11.203 650 HA THR 89 HA THR 89 -1.221 -4.676 -12.848 651 HB THR 89 HB THR 89 -3.829 -5.856 -13.764 652 HG1 THR 89 HG1 THR 89 -1.703 -7.166 -12.638 653 1HG2 THR 89 1HG2 THR 89 -1.975 -4.494 -15.141 654 2HG2 THR 89 2HG2 THR 89 -1.293 -6.116 -15.270 655 3HG2 THR 89 3HG2 THR 89 -2.928 -5.798 -15.849 656 H ALA 90 H ALA 90 -4.743 -4.484 -12.260 657 HA ALA 90 HA ALA 90 -5.142 -2.151 -13.687 658 1HB ALA 90 1HB ALA 90 -6.692 -3.692 -11.710 659 2HB ALA 90 2HB ALA 90 -7.193 -2.027 -12.000 660 3HB ALA 90 3HB ALA 90 -7.125 -3.172 -13.339 661 H SER 91 H SER 91 -4.530 -2.623 -10.221 662 HA SER 91 HA SER 91 -4.815 0.082 -9.466 663 1HB SER 91 1HB SER 91 -2.930 -1.132 -7.743 664 2HB SER 91 2HB SER 91 -4.654 -0.896 -7.459 665 HG SER 91 HG SER 91 -3.796 -3.131 -7.383 666 H VAL 92 H VAL 92 -2.103 -1.757 -10.663 667 HA VAL 92 HA VAL 92 -0.219 0.318 -10.126 668 HB VAL 92 HB VAL 92 0.028 -2.112 -11.894 669 1HG1 VAL 92 1HG1 VAL 92 1.807 0.252 -11.554 670 2HG1 VAL 92 2HG1 VAL 92 2.564 -1.337 -11.667 671 3HG1 VAL 92 3HG1 VAL 92 1.531 -0.757 -12.973 672 1HG2 VAL 92 1HG2 VAL 92 -0.014 -2.517 -9.468 673 2HG2 VAL 92 2HG2 VAL 92 1.560 -2.891 -10.168 674 3HG2 VAL 92 3HG2 VAL 92 1.330 -1.394 -9.265 675 H ASN 93 H ASN 93 -1.735 -0.861 -13.141 676 HA ASN 93 HA ASN 93 -0.654 0.801 -14.926 677 1HB ASN 93 1HB ASN 93 -2.157 -0.212 -16.189 678 2HB ASN 93 2HB ASN 93 -2.977 -0.752 -14.747 679 2HD2 ASN 93 2HD2 ASN 93 -2.872 1.651 -17.244 680 1HD2 ASN 93 1HD2 ASN 93 -4.442 2.314 -16.957 681 H CYS 94 H CYS 94 -3.209 1.521 -12.654 682 HA CYS 94 HA CYS 94 -3.759 4.140 -13.509 683 1HB CYS 94 1HB CYS 94 -5.026 2.606 -11.815 684 2HB CYS 94 2HB CYS 94 -3.964 3.352 -10.624 685 H ALA 95 H ALA 95 -1.594 2.925 -10.940 686 HA ALA 95 HA ALA 95 -0.637 5.533 -10.296 687 1HB ALA 95 1HB ALA 95 -0.556 3.733 -8.679 688 2HB ALA 95 2HB ALA 95 0.632 2.889 -9.675 689 3HB ALA 95 3HB ALA 95 1.035 4.445 -8.948 690 H LYS 96 H LYS 96 0.510 2.991 -12.460 691 HA LYS 96 HA LYS 96 3.036 3.888 -13.058 692 1HB LYS 96 1HB LYS 96 1.044 2.227 -14.343 693 2HB LYS 96 2HB LYS 96 1.874 3.214 -15.539 694 1HG LYS 96 1HG LYS 96 4.018 2.359 -14.796 695 2HG LYS 96 2HG LYS 96 3.223 1.419 -13.531 696 1HD LYS 96 1HD LYS 96 3.354 -0.219 -15.091 697 2HD LYS 96 2HD LYS 96 1.859 0.529 -15.658 698 1HE LYS 96 1HE LYS 96 3.193 1.907 -17.223 699 2HE LYS 96 2HE LYS 96 4.641 1.045 -16.702 700 1HZ LYS 96 1HZ LYS 96 3.552 -1.030 -17.456 701 2HZ LYS 96 2HZ LYS 96 2.283 -0.107 -18.089 702 3HZ LYS 96 3HZ LYS 96 3.846 0.066 -18.710 703 H LYS 97 H LYS 97 -0.092 4.959 -13.934 704 HA LYS 97 HA LYS 97 0.764 7.097 -15.700 705 1HB LYS 97 1HB LYS 97 -1.731 5.791 -15.064 706 2HB LYS 97 2HB LYS 97 -1.914 7.535 -14.938 707 1HG LYS 97 1HG LYS 97 -0.890 7.695 -17.233 708 2HG LYS 97 2HG LYS 97 -1.048 5.940 -17.332 709 1HD LYS 97 1HD LYS 97 -3.066 6.411 -18.213 710 2HD LYS 97 2HD LYS 97 -3.542 6.633 -16.528 711 1HE LYS 97 1HE LYS 97 -2.491 9.078 -17.160 712 2HE LYS 97 2HE LYS 97 -3.246 8.596 -18.680 713 1HZ LYS 97 1HZ LYS 97 -5.266 8.068 -17.254 714 2HZ LYS 97 2HZ LYS 97 -4.516 8.970 -16.037 715 3HZ LYS 97 3HZ LYS 97 -4.910 9.702 -17.510 716 H ILE 98 H ILE 98 -0.305 6.683 -12.377 717 HA ILE 98 HA ILE 98 -0.647 9.367 -11.703 718 HB ILE 98 HB ILE 98 0.178 7.062 -9.963 719 1HG1 ILE 98 1HG1 ILE 98 -2.479 8.502 -10.173 720 2HG1 ILE 98 2HG1 ILE 98 -2.102 7.034 -11.068 721 1HG2 ILE 98 1HG2 ILE 98 -0.224 9.940 -9.351 722 2HG2 ILE 98 2HG2 ILE 98 -0.829 8.756 -8.194 723 3HG2 ILE 98 3HG2 ILE 98 0.881 8.772 -8.626 724 1HD1 ILE 98 1HD1 ILE 98 -2.159 7.302 -8.072 725 2HD1 ILE 98 2HD1 ILE 98 -3.401 6.554 -9.075 726 3HD1 ILE 98 3HD1 ILE 98 -1.796 5.830 -8.972 727 H VAL 99 H VAL 99 2.188 7.290 -11.380 728 HA VAL 99 HA VAL 99 3.895 9.375 -10.456 729 HB VAL 99 HB VAL 99 4.130 6.825 -10.107 730 1HG1 VAL 99 1HG1 VAL 99 4.194 6.357 -12.575 731 2HG1 VAL 99 2HG1 VAL 99 5.801 7.082 -12.596 732 3HG1 VAL 99 3HG1 VAL 99 5.501 5.631 -11.638 733 1HG2 VAL 99 1HG2 VAL 99 6.499 8.583 -10.714 734 2HG2 VAL 99 2HG2 VAL 99 5.653 8.449 -9.174 735 3HG2 VAL 99 3HG2 VAL 99 6.562 7.075 -9.802 736 H SER 100 H SER 100 2.949 8.203 -13.589 737 HA SER 100 HA SER 100 5.180 9.464 -14.948 738 1HB SER 100 1HB SER 100 4.128 7.391 -15.845 739 2HB SER 100 2HB SER 100 2.637 8.296 -16.111 740 HG SER 100 HG SER 100 3.620 9.471 -17.675 741 H ASP 101 H ASP 101 2.358 10.454 -13.538 742 HA ASP 101 HA ASP 101 1.864 12.655 -15.402 743 1HB ASP 101 1HB ASP 101 0.086 11.122 -14.104 744 2HB ASP 101 2HB ASP 101 0.276 12.398 -12.904 745 H GLY 102 H GLY 102 3.821 12.063 -12.802 746 1HA GLY 102 1HA GLY 102 3.656 14.852 -11.847 747 2HA GLY 102 2HA GLY 102 5.192 14.159 -12.344 748 H ASN 103 H ASN 103 2.503 12.971 -10.324 749 HA ASN 103 HA ASN 103 3.775 13.211 -7.859 750 1HB ASN 103 1HB ASN 103 1.710 11.176 -8.722 751 2HB ASN 103 2HB ASN 103 2.135 11.546 -7.054 752 2HD2 ASN 103 2HD2 ASN 103 0.059 12.226 -9.552 753 1HD2 ASN 103 1HD2 ASN 103 -0.603 13.708 -8.959 754 H GLY 104 H GLY 104 5.872 12.506 -7.804 755 1HA GLY 104 1HA GLY 104 7.634 10.982 -8.234 756 2HA GLY 104 2HA GLY 104 6.442 9.737 -8.562 757 H MET 105 H MET 105 5.031 9.224 -6.554 758 HA MET 105 HA MET 105 5.143 7.919 -4.665 759 1HB MET 105 1HB MET 105 7.860 9.118 -4.101 760 2HB MET 105 2HB MET 105 7.127 7.739 -3.296 761 1HG MET 105 1HG MET 105 8.430 7.919 -5.951 762 2HG MET 105 2HG MET 105 8.545 6.670 -4.715 763 1HE MET 105 1HE MET 105 6.451 5.630 -3.887 764 2HE MET 105 2HE MET 105 4.932 5.483 -4.772 765 3HE MET 105 3HE MET 105 6.210 4.291 -5.009 766 H ASN 106 H ASN 106 4.899 11.052 -5.151 767 HA ASN 106 HA ASN 106 4.802 11.922 -2.382 768 1HB ASN 106 1HB ASN 106 4.829 13.212 -5.049 769 2HB ASN 106 2HB ASN 106 3.966 14.054 -3.775 770 2HD2 ASN 106 2HD2 ASN 106 6.973 13.334 -5.131 771 1HD2 ASN 106 1HD2 ASN 106 7.970 14.085 -3.936 772 H ALA 107 H ALA 107 2.664 11.133 -5.049 773 HA ALA 107 HA ALA 107 0.287 12.263 -4.069 774 1HB ALA 107 1HB ALA 107 1.038 10.359 -6.138 775 2HB ALA 107 2HB ALA 107 -0.536 10.012 -5.422 776 3HB ALA 107 3HB ALA 107 -0.221 11.594 -6.137 777 H TRP 108 H TRP 108 2.150 9.818 -2.781 778 HA TRP 108 HA TRP 108 -0.142 8.697 -1.315 779 1HB TRP 108 1HB TRP 108 2.541 7.409 -1.862 780 2HB TRP 108 2HB TRP 108 1.194 6.668 -1.001 781 HD1 TRP 108 HD1 TRP 108 -0.940 5.919 -2.466 782 HE1 TRP 108 HE1 TRP 108 -1.196 5.405 -4.975 783 HE3 TRP 108 HE3 TRP 108 3.367 8.071 -4.184 784 HZ2 TRP 108 HZ2 TRP 108 0.234 5.853 -7.373 785 HZ3 TRP 108 HZ3 TRP 108 3.848 7.987 -6.595 786 HH2 TRP 108 HH2 TRP 108 2.314 6.901 -8.153 787 H VAL 109 H VAL 109 -0.304 9.326 0.695 788 HA VAL 109 HA VAL 109 1.701 10.835 2.020 789 HB VAL 109 HB VAL 109 -0.403 9.785 3.676 790 1HG1 VAL 109 1HG1 VAL 109 0.822 12.428 3.072 791 2HG1 VAL 109 2HG1 VAL 109 -0.712 12.349 3.940 792 3HG1 VAL 109 3HG1 VAL 109 0.722 11.567 4.607 793 1HG2 VAL 109 1HG2 VAL 109 -1.043 11.198 1.125 794 2HG2 VAL 109 2HG2 VAL 109 -1.828 9.790 1.840 795 3HG2 VAL 109 3HG2 VAL 109 -2.076 11.389 2.542 796 H ALA 110 H ALA 110 0.887 7.460 2.076 797 HA ALA 110 HA ALA 110 1.989 6.872 4.624 798 1HB ALA 110 1HB ALA 110 2.031 4.825 2.469 799 2HB ALA 110 2HB ALA 110 1.547 4.679 4.159 800 3HB ALA 110 3HB ALA 110 0.468 5.450 2.996 801 H TRP 111 H TRP 111 3.351 7.535 1.565 802 HA TRP 111 HA TRP 111 5.903 6.307 2.203 803 1HB TRP 111 1HB TRP 111 5.177 6.219 -0.114 804 2HB TRP 111 2HB TRP 111 5.047 7.969 -0.175 805 HD1 TRP 111 HD1 TRP 111 7.573 5.147 -0.384 806 HE1 TRP 111 HE1 TRP 111 9.849 6.103 -1.115 807 HE3 TRP 111 HE3 TRP 111 6.514 10.138 -0.031 808 HZ2 TRP 111 HZ2 TRP 111 11.037 8.634 -1.492 809 HZ3 TRP 111 HZ3 TRP 111 8.276 11.759 -0.595 810 HH2 TRP 111 HH2 TRP 111 10.491 11.021 -1.309 811 H ARG 112 H ARG 112 4.443 9.537 2.068 812 HA ARG 112 HA ARG 112 6.965 10.763 2.870 813 1HB ARG 112 1HB ARG 112 4.540 11.623 1.553 814 2HB ARG 112 2HB ARG 112 4.949 12.681 2.895 815 1HG ARG 112 1HG ARG 112 7.299 12.746 1.872 816 2HG ARG 112 2HG ARG 112 6.534 12.086 0.425 817 1HD ARG 112 1HD ARG 112 6.296 14.288 -0.059 818 2HD ARG 112 2HD ARG 112 4.837 14.084 0.911 819 HE ARG 112 HE ARG 112 7.123 14.832 2.468 820 1HH1 ARG 112 1HH1 ARG 112 4.543 16.030 0.458 821 2HH1 ARG 112 2HH1 ARG 112 4.544 17.607 1.174 822 1HH2 ARG 112 1HH2 ARG 112 7.132 16.905 3.417 823 2HH2 ARG 112 2HH2 ARG 112 6.016 18.105 2.856 824 H ASN 113 H ASN 113 6.026 9.027 4.756 825 HA ASN 113 HA ASN 113 5.590 10.817 6.987 826 1HB ASN 113 1HB ASN 113 3.323 9.826 5.876 827 2HB ASN 113 2HB ASN 113 3.684 8.560 7.046 828 2HD2 ASN 113 2HD2 ASN 113 2.331 8.876 8.670 829 1HD2 ASN 113 1HD2 ASN 113 2.092 10.368 9.506 830 H ARG 114 H ARG 114 5.240 7.343 6.322 831 HA ARG 114 HA ARG 114 6.969 6.783 8.616 832 1HB ARG 114 1HB ARG 114 4.841 5.311 7.166 833 2HB ARG 114 2HB ARG 114 6.136 4.357 7.865 834 1HG ARG 114 1HG ARG 114 4.732 6.402 9.524 835 2HG ARG 114 2HG ARG 114 3.987 4.828 9.238 836 1HD ARG 114 1HD ARG 114 5.235 3.967 10.859 837 2HD ARG 114 2HD ARG 114 6.682 4.353 9.928 838 HE ARG 114 HE ARG 114 5.794 6.648 11.303 839 1HH1 ARG 114 1HH1 ARG 114 7.301 3.559 11.876 840 2HH1 ARG 114 2HH1 ARG 114 8.144 4.088 13.294 841 1HH2 ARG 114 1HH2 ARG 114 6.900 7.354 13.167 842 2HH2 ARG 114 2HH2 ARG 114 7.915 6.245 14.028 843 H CYS 115 H CYS 115 7.292 7.202 5.362 844 HA CYS 115 HA CYS 115 9.457 5.216 5.179 845 1HB CYS 115 1HB CYS 115 7.586 4.998 3.535 846 2HB CYS 115 2HB CYS 115 8.043 6.570 2.885 847 H LYS 116 H LYS 116 8.611 8.563 4.298 848 HA LYS 116 HA LYS 116 11.038 9.328 3.209 849 1HB LYS 116 1HB LYS 116 8.781 10.606 3.426 850 2HB LYS 116 2HB LYS 116 9.457 11.207 4.934 851 1HG LYS 116 1HG LYS 116 11.471 11.574 3.046 852 2HG LYS 116 2HG LYS 116 9.977 12.036 2.229 853 1HD LYS 116 1HD LYS 116 9.674 13.194 4.690 854 2HD LYS 116 2HD LYS 116 11.411 13.348 4.417 855 1HE LYS 116 1HE LYS 116 9.315 14.181 2.420 856 2HE LYS 116 2HE LYS 116 10.037 15.277 3.598 857 1HZ LYS 116 1HZ LYS 116 12.154 14.030 2.364 858 2HZ LYS 116 2HZ LYS 116 11.074 14.381 1.109 859 3HZ LYS 116 3HZ LYS 116 11.631 15.619 2.116 860 H GLY 117 H GLY 117 12.837 8.570 4.281 861 1HA GLY 117 1HA GLY 117 13.237 9.596 7.020 862 2HA GLY 117 2HA GLY 117 14.481 9.751 5.791 863 H THR 118 H THR 118 13.197 6.857 5.072 864 HA THR 118 HA THR 118 14.927 5.429 6.981 865 HB THR 118 HB THR 118 13.519 3.446 6.614 866 HG1 THR 118 HG1 THR 118 12.754 4.077 4.499 867 1HG2 THR 118 1HG2 THR 118 12.818 5.775 8.040 868 2HG2 THR 118 2HG2 THR 118 11.332 5.159 7.320 869 3HG2 THR 118 3HG2 THR 118 12.306 4.118 8.358 870 H ASP 119 H ASP 119 14.609 2.945 5.423 871 HA ASP 119 HA ASP 119 16.154 3.602 3.027 872 1HB ASP 119 1HB ASP 119 17.440 2.749 5.122 873 2HB ASP 119 2HB ASP 119 16.872 1.205 4.530 874 H VAL 120 H VAL 120 14.783 3.063 1.449 875 HA VAL 120 HA VAL 120 13.005 0.836 1.609 876 HB VAL 120 HB VAL 120 12.375 1.393 -0.677 877 1HG1 VAL 120 1HG1 VAL 120 11.468 2.711 1.213 878 2HG1 VAL 120 2HG1 VAL 120 12.736 3.907 0.947 879 3HG1 VAL 120 3HG1 VAL 120 11.524 3.616 -0.300 880 1HG2 VAL 120 1HG2 VAL 120 15.003 2.512 -0.768 881 2HG2 VAL 120 2HG2 VAL 120 13.864 2.247 -2.087 882 3HG2 VAL 120 3HG2 VAL 120 13.826 3.759 -1.180 883 H GLN 121 H GLN 121 16.166 1.454 0.249 884 HA GLN 121 HA GLN 121 16.359 -0.728 -1.499 885 1HB GLN 121 1HB GLN 121 18.002 1.303 -0.923 886 2HB GLN 121 2HB GLN 121 18.760 0.070 0.075 887 1HG GLN 121 1HG GLN 121 19.832 -0.672 -1.705 888 2HG GLN 121 2HG GLN 121 18.285 -1.114 -2.427 889 2HE2 GLN 121 2HE2 GLN 121 18.760 -0.608 -4.506 890 1HE2 GLN 121 1HE2 GLN 121 19.088 0.997 -5.058 891 H ALA 122 H ALA 122 16.384 -0.488 1.924 892 HA ALA 122 HA ALA 122 17.460 -3.162 2.316 893 1HB ALA 122 1HB ALA 122 16.744 -0.892 4.115 894 2HB ALA 122 2HB ALA 122 16.836 -2.524 4.777 895 3HB ALA 122 3HB ALA 122 18.247 -1.806 4.001 896 H TRP 123 H TRP 123 14.429 -1.545 2.003 897 HA TRP 123 HA TRP 123 12.781 -3.295 3.477 898 1HB TRP 123 1HB TRP 123 12.359 -1.328 1.289 899 2HB TRP 123 2HB TRP 123 11.084 -2.510 1.564 900 HD1 TRP 123 HD1 TRP 123 11.454 0.838 2.318 901 HE1 TRP 123 HE1 TRP 123 10.511 1.522 4.613 902 HE3 TRP 123 HE3 TRP 123 11.189 -3.748 4.527 903 HZ2 TRP 123 HZ2 TRP 123 9.766 0.249 7.009 904 HZ3 TRP 123 HZ3 TRP 123 10.354 -3.937 6.813 905 HH2 TRP 123 HH2 TRP 123 9.649 -1.956 8.042 906 H ILE 124 H ILE 124 14.480 -3.751 0.553 907 HA ILE 124 HA ILE 124 13.014 -6.265 0.088 908 HB ILE 124 HB ILE 124 13.704 -6.018 -2.335 909 1HG1 ILE 124 1HG1 ILE 124 13.740 -3.080 -2.023 910 2HG1 ILE 124 2HG1 ILE 124 15.184 -3.915 -1.460 911 1HG2 ILE 124 1HG2 ILE 124 11.417 -5.483 -1.180 912 2HG2 ILE 124 2HG2 ILE 124 11.818 -3.824 -1.625 913 3HG2 ILE 124 3HG2 ILE 124 11.686 -5.064 -2.872 914 1HD1 ILE 124 1HD1 ILE 124 13.991 -4.155 -4.212 915 2HD1 ILE 124 2HD1 ILE 124 15.387 -3.169 -3.775 916 3HD1 ILE 124 3HD1 ILE 124 15.472 -4.926 -3.643 917 H ARG 125 H ARG 125 15.660 -5.250 1.408 918 HA ARG 125 HA ARG 125 17.778 -6.478 -0.017 919 1HB ARG 125 1HB ARG 125 17.588 -4.846 2.192 920 2HB ARG 125 2HB ARG 125 18.109 -6.374 2.892 921 1HG ARG 125 1HG ARG 125 19.719 -6.033 0.648 922 2HG ARG 125 2HG ARG 125 19.612 -4.434 1.386 923 1HD ARG 125 1HD ARG 125 20.054 -6.690 3.235 924 2HD ARG 125 2HD ARG 125 21.383 -6.319 2.138 925 HE ARG 125 HE ARG 125 20.484 -3.937 3.316 926 1HH1 ARG 125 1HH1 ARG 125 22.140 -6.882 4.167 927 2HH1 ARG 125 2HH1 ARG 125 23.036 -6.156 5.460 928 1HH2 ARG 125 1HH2 ARG 125 21.659 -2.974 5.017 929 2HH2 ARG 125 2HH2 ARG 125 22.761 -3.936 5.943 930 H GLY 126 H GLY 126 17.334 -8.574 -0.588 931 1HA GLY 126 1HA GLY 126 16.984 -10.472 1.651 932 2HA GLY 126 2HA GLY 126 18.036 -10.796 0.282 933 H CYS 127 H CYS 127 15.366 -9.192 -0.846 934 HA CYS 127 HA CYS 127 13.441 -11.238 -0.929 935 1HB CYS 127 1HB CYS 127 13.819 -8.644 -2.192 936 2HB CYS 127 2HB CYS 127 12.714 -9.735 -3.003 937 H ARG 128 H ARG 128 12.577 -11.629 -3.420 938 HA ARG 128 HA ARG 128 14.854 -12.666 -4.957 939 1HB ARG 128 1HB ARG 128 12.425 -14.197 -4.052 940 2HB ARG 128 2HB ARG 128 13.373 -14.705 -5.442 941 1HG ARG 128 1HG ARG 128 14.668 -15.828 -4.042 942 2HG ARG 128 2HG ARG 128 15.242 -14.277 -3.424 943 1HD ARG 128 1HD ARG 128 14.465 -15.687 -1.604 944 2HD ARG 128 2HD ARG 128 13.430 -14.270 -1.776 945 HE ARG 128 HE ARG 128 11.830 -15.759 -2.928 946 1HH1 ARG 128 1HH1 ARG 128 14.262 -17.151 -0.856 947 2HH1 ARG 128 2HH1 ARG 128 13.348 -18.587 -0.533 948 1HH2 ARG 128 1HH2 ARG 128 10.621 -17.644 -2.507 949 2HH2 ARG 128 2HH2 ARG 128 11.279 -18.868 -1.472 950 H LEU 129 H LEU 129 14.533 -10.916 -6.389 951 HA LEU 129 HA LEU 129 12.618 -11.468 -8.459 952 1HB LEU 129 1HB LEU 129 11.772 -9.034 -8.366 953 2HB LEU 129 2HB LEU 129 11.069 -10.215 -7.276 954 HG LEU 129 HG LEU 129 13.344 -8.878 -6.069 955 1HD1 LEU 129 1HD1 LEU 129 12.346 -7.125 -7.688 956 2HD1 LEU 129 2HD1 LEU 129 11.003 -7.079 -6.545 957 3HD1 LEU 129 3HD1 LEU 129 12.634 -6.676 -6.007 958 1HD2 LEU 129 1HD2 LEU 129 11.648 -10.216 -4.887 959 2HD2 LEU 129 2HD2 LEU 129 11.775 -8.576 -4.252 960 3HD2 LEU 129 3HD2 LEU 129 10.429 -9.012 -5.306 No H/Q in entry = 960 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -7.549 -8.621 0.387 2 H2 LYS 1 H2 LYS 1 -8.230 -10.124 0.763 3 H3 LYS 1 H3 LYS 1 -7.411 -9.244 1.953 4 HA LYS 1 HA LYS 1 -5.974 -10.972 1.256 5 1HB LYS 1 1HB LYS 1 -7.355 -10.781 -1.093 6 2HB LYS 1 2HB LYS 1 -5.813 -10.066 -1.544 7 1HG LYS 1 1HG LYS 1 -5.150 -12.153 -1.936 8 2HG LYS 1 2HG LYS 1 -5.047 -12.317 -0.181 9 1HD LYS 1 1HD LYS 1 -6.425 -14.071 -0.547 10 2HD LYS 1 2HD LYS 1 -7.667 -12.816 -0.541 11 1HE LYS 1 1HE LYS 1 -8.001 -14.233 -2.455 12 2HE LYS 1 2HE LYS 1 -7.445 -12.651 -3.003 13 1HZ LYS 1 1HZ LYS 1 -5.158 -13.656 -3.057 14 2HZ LYS 1 2HZ LYS 1 -5.888 -15.167 -2.843 15 3HZ LYS 1 3HZ LYS 1 -6.239 -14.246 -4.217 16 H VAL 2 H VAL 2 -4.086 -10.304 2.018 17 HA VAL 2 HA VAL 2 -2.986 -7.750 1.044 18 HB VAL 2 HB VAL 2 -2.576 -9.138 3.696 19 1HG1 VAL 2 1HG1 VAL 2 -0.633 -7.740 2.441 20 2HG1 VAL 2 2HG1 VAL 2 -1.474 -6.438 3.279 21 3HG1 VAL 2 3HG1 VAL 2 -0.824 -7.797 4.193 22 1HG2 VAL 2 1HG2 VAL 2 -4.610 -7.507 2.947 23 2HG2 VAL 2 2HG2 VAL 2 -4.016 -7.669 4.600 24 3HG2 VAL 2 3HG2 VAL 2 -3.452 -6.341 3.586 25 H PHE 3 H PHE 3 -1.132 -7.813 -0.096 26 HA PHE 3 HA PHE 3 0.181 -10.295 -0.622 27 1HB PHE 3 1HB PHE 3 1.020 -7.455 -1.252 28 2HB PHE 3 2HB PHE 3 1.806 -8.896 -1.875 29 HD1 PHE 3 HD1 PHE 3 -1.364 -9.993 -1.965 30 HD2 PHE 3 HD2 PHE 3 1.021 -6.951 -3.738 31 HE1 PHE 3 HE1 PHE 3 -2.861 -9.956 -3.918 32 HE2 PHE 3 HE2 PHE 3 -0.464 -6.908 -5.687 33 HZ PHE 3 HZ PHE 3 -2.406 -8.413 -5.786 34 H GLY 4 H GLY 4 2.757 -10.094 -0.560 35 1HA GLY 4 1HA GLY 4 4.285 -10.698 1.180 36 2HA GLY 4 2HA GLY 4 3.418 -9.615 2.264 37 H ARG 5 H ARG 5 6.296 -9.716 1.591 38 HA ARG 5 HA ARG 5 6.576 -6.890 0.939 39 1HB ARG 5 1HB ARG 5 8.627 -8.888 1.913 40 2HB ARG 5 2HB ARG 5 8.907 -7.166 1.699 41 1HG ARG 5 1HG ARG 5 7.424 -6.613 3.464 42 2HG ARG 5 2HG ARG 5 6.817 -8.268 3.556 43 1HD ARG 5 1HD ARG 5 9.454 -8.692 3.942 44 2HD ARG 5 2HD ARG 5 9.288 -7.085 4.645 45 HE ARG 5 HE ARG 5 7.363 -9.081 5.514 46 1HH1 ARG 5 1HH1 ARG 5 10.336 -7.379 6.152 47 2HH1 ARG 5 2HH1 ARG 5 10.323 -7.730 7.848 48 1HH2 ARG 5 1HH2 ARG 5 7.338 -9.547 7.745 49 2HH2 ARG 5 2HH2 ARG 5 8.618 -8.963 8.753 50 H CYS 6 H CYS 6 8.199 -9.914 -0.063 51 HA CYS 6 HA CYS 6 9.185 -8.569 -2.419 52 1HB CYS 6 1HB CYS 6 9.409 -11.518 -1.897 53 2HB CYS 6 2HB CYS 6 10.449 -10.475 -2.864 54 H GLU 7 H GLU 7 6.752 -11.027 -1.656 55 HA GLU 7 HA GLU 7 6.098 -11.961 -4.149 56 1HB GLU 7 1HB GLU 7 4.970 -12.475 -1.899 57 2HB GLU 7 2HB GLU 7 3.971 -11.061 -2.206 58 1HG GLU 7 1HG GLU 7 2.700 -12.878 -2.936 59 2HG GLU 7 2HG GLU 7 3.351 -12.158 -4.407 60 H LEU 8 H LEU 8 4.915 -9.005 -2.619 61 HA LEU 8 HA LEU 8 3.515 -8.038 -4.876 62 1HB LEU 8 1HB LEU 8 3.057 -7.267 -2.593 63 2HB LEU 8 2HB LEU 8 4.651 -6.545 -2.508 64 HG LEU 8 HG LEU 8 2.531 -5.077 -2.995 65 1HD1 LEU 8 1HD1 LEU 8 4.966 -4.413 -2.942 66 2HD1 LEU 8 2HD1 LEU 8 4.969 -4.635 -4.692 67 3HD1 LEU 8 3HD1 LEU 8 3.910 -3.432 -3.958 68 1HD2 LEU 8 1HD2 LEU 8 2.155 -6.654 -5.089 69 2HD2 LEU 8 2HD2 LEU 8 1.746 -4.940 -5.129 70 3HD2 LEU 8 3HD2 LEU 8 3.257 -5.500 -5.843 71 H ALA 9 H ALA 9 6.835 -7.553 -3.676 72 HA ALA 9 HA ALA 9 7.549 -5.510 -5.474 73 1HB ALA 9 1HB ALA 9 9.375 -7.590 -4.298 74 2HB ALA 9 2HB ALA 9 8.862 -6.112 -3.484 75 3HB ALA 9 3HB ALA 9 9.837 -6.018 -4.951 76 H ALA 10 H ALA 10 8.083 -9.038 -5.735 77 HA ALA 10 HA ALA 10 9.333 -9.102 -8.185 78 1HB ALA 10 1HB ALA 10 7.646 -11.308 -8.230 79 2HB ALA 10 2HB ALA 10 9.279 -11.247 -7.567 80 3HB ALA 10 3HB ALA 10 7.889 -10.982 -6.514 81 H ALA 11 H ALA 11 5.906 -8.833 -7.395 82 HA ALA 11 HA ALA 11 4.944 -9.038 -10.028 83 1HB ALA 11 1HB ALA 11 3.594 -7.432 -7.898 84 2HB ALA 11 2HB ALA 11 3.612 -9.194 -7.857 85 3HB ALA 11 3HB ALA 11 2.858 -8.351 -9.210 86 H MET 12 H MET 12 6.117 -6.452 -8.129 87 HA MET 12 HA MET 12 5.385 -4.283 -9.790 88 1HB MET 12 1HB MET 12 7.912 -4.344 -8.165 89 2HB MET 12 2HB MET 12 6.924 -2.960 -8.563 90 1HG MET 12 1HG MET 12 5.981 -5.191 -6.806 91 2HG MET 12 2HG MET 12 6.778 -3.744 -6.199 92 1HE MET 12 1HE MET 12 5.880 -1.679 -8.182 93 2HE MET 12 2HE MET 12 4.288 -1.047 -7.760 94 3HE MET 12 3HE MET 12 5.547 -1.153 -6.533 95 H LYS 13 H LYS 13 8.401 -6.148 -9.578 96 HA LYS 13 HA LYS 13 9.887 -4.879 -11.523 97 1HB LYS 13 1HB LYS 13 10.341 -7.003 -9.962 98 2HB LYS 13 2HB LYS 13 9.994 -7.853 -11.460 99 1HG LYS 13 1HG LYS 13 11.727 -6.057 -12.398 100 2HG LYS 13 2HG LYS 13 12.296 -6.153 -10.730 101 1HD LYS 13 1HD LYS 13 13.097 -8.243 -10.993 102 2HD LYS 13 2HD LYS 13 11.735 -8.744 -11.996 103 1HE LYS 13 1HE LYS 13 13.988 -6.985 -12.951 104 2HE LYS 13 2HE LYS 13 13.934 -8.733 -13.176 105 1HZ LYS 13 1HZ LYS 13 11.550 -7.989 -14.140 106 2HZ LYS 13 2HZ LYS 13 12.489 -6.648 -14.564 107 3HZ LYS 13 3HZ LYS 13 12.935 -8.194 -15.090 108 H ARG 14 H ARG 14 7.626 -7.587 -11.927 109 HA ARG 14 HA ARG 14 7.871 -7.775 -14.724 110 1HB ARG 14 1HB ARG 14 5.980 -8.771 -12.668 111 2HB ARG 14 2HB ARG 14 5.370 -8.700 -14.315 112 1HG ARG 14 1HG ARG 14 6.309 -10.681 -14.639 113 2HG ARG 14 2HG ARG 14 7.874 -9.869 -14.561 114 1HD ARG 14 1HD ARG 14 7.924 -10.231 -12.133 115 2HD ARG 14 2HD ARG 14 6.376 -11.070 -12.234 116 HE ARG 14 HE ARG 14 8.161 -12.317 -13.985 117 1HH1 ARG 14 1HH1 ARG 14 7.716 -11.837 -10.563 118 2HH1 ARG 14 2HH1 ARG 14 8.499 -13.318 -10.123 119 1HH2 ARG 14 1HH2 ARG 14 9.193 -14.268 -13.415 120 2HH2 ARG 14 2HH2 ARG 14 9.339 -14.700 -11.744 121 H HIS 15 H HIS 15 5.784 -5.855 -12.615 122 HA HIS 15 HA HIS 15 4.167 -4.859 -14.734 123 1HB HIS 15 1HB HIS 15 4.453 -4.347 -11.817 124 2HB HIS 15 2HB HIS 15 3.669 -3.108 -12.790 125 HD1 HIS 15 HD1 HIS 15 2.316 -5.015 -10.589 126 HD2 HIS 15 HD2 HIS 15 2.039 -5.375 -14.719 127 HE1 HIS 15 HE1 HIS 15 0.197 -6.301 -11.011 128 HE2 HIS 15 HE2 HIS 15 0.005 -6.429 -13.520 129 H GLY 16 H GLY 16 7.365 -4.192 -13.988 130 1HA GLY 16 1HA GLY 16 7.345 -1.947 -15.722 131 2HA GLY 16 2HA GLY 16 8.738 -2.659 -14.940 132 H LEU 17 H LEU 17 7.351 -2.156 -12.185 133 HA LEU 17 HA LEU 17 7.460 0.746 -12.208 134 1HB LEU 17 1HB LEU 17 7.098 -0.872 -9.723 135 2HB LEU 17 2HB LEU 17 6.530 0.747 -10.069 136 HG LEU 17 HG LEU 17 5.287 -1.862 -10.637 137 1HD1 LEU 17 1HD1 LEU 17 4.682 0.488 -9.252 138 2HD1 LEU 17 2HD1 LEU 17 3.569 0.449 -10.619 139 3HD1 LEU 17 3HD1 LEU 17 3.635 -0.910 -9.496 140 1HD2 LEU 17 1HD2 LEU 17 5.481 0.273 -12.690 141 2HD2 LEU 17 2HD2 LEU 17 5.277 -1.468 -12.881 142 3HD2 LEU 17 3HD2 LEU 17 3.898 -0.462 -12.439 143 H ASP 18 H ASP 18 9.618 -1.658 -11.990 144 HA ASP 18 HA ASP 18 11.302 -0.660 -9.909 145 1HB ASP 18 1HB ASP 18 11.765 -2.877 -10.251 146 2HB ASP 18 2HB ASP 18 11.534 -2.774 -11.987 147 H ASN 19 H ASN 19 11.831 1.400 -10.165 148 HA ASN 19 HA ASN 19 12.936 3.248 -10.860 149 1HB ASN 19 1HB ASN 19 14.716 1.282 -11.244 150 2HB ASN 19 2HB ASN 19 14.506 1.779 -12.920 151 2HD2 ASN 19 2HD2 ASN 19 14.828 3.352 -9.751 152 1HD2 ASN 19 1HD2 ASN 19 16.006 4.510 -10.259 153 H TYR 20 H TYR 20 10.519 2.471 -12.107 154 HA TYR 20 HA TYR 20 10.626 2.992 -14.907 155 1HB TYR 20 1HB TYR 20 8.690 1.897 -13.737 156 2HB TYR 20 2HB TYR 20 8.305 3.451 -13.009 157 HD1 TYR 20 HD1 TYR 20 8.826 1.894 -16.365 158 HD2 TYR 20 HD2 TYR 20 6.774 4.826 -14.066 159 HE1 TYR 20 HE1 TYR 20 7.456 2.464 -18.326 160 HE2 TYR 20 HE2 TYR 20 5.399 5.405 -16.020 161 HH TYR 20 HH TYR 20 6.148 4.547 -19.115 162 H ARG 21 H ARG 21 9.495 5.060 -15.793 163 HA ARG 21 HA ARG 21 10.875 7.254 -15.650 164 1HB ARG 21 1HB ARG 21 8.264 6.759 -16.409 165 2HB ARG 21 2HB ARG 21 8.096 8.051 -15.229 166 1HG ARG 21 1HG ARG 21 10.004 9.174 -16.607 167 2HG ARG 21 2HG ARG 21 9.466 8.068 -17.872 168 1HD ARG 21 1HD ARG 21 7.370 9.045 -18.015 169 2HD ARG 21 2HD ARG 21 7.474 9.739 -16.397 170 HE ARG 21 HE ARG 21 8.767 11.496 -17.255 171 1HH1 ARG 21 1HH1 ARG 21 7.860 9.208 -19.722 172 2HH1 ARG 21 2HH1 ARG 21 8.243 10.275 -21.032 173 1HH2 ARG 21 1HH2 ARG 21 9.274 12.905 -18.974 174 2HH2 ARG 21 2HH2 ARG 21 9.048 12.376 -20.606 175 H GLY 22 H GLY 22 8.658 6.276 -13.122 176 1HA GLY 22 1HA GLY 22 8.228 7.150 -11.028 177 2HA GLY 22 2HA GLY 22 9.156 8.575 -11.466 178 H TYR 23 H TYR 23 9.169 5.572 -9.809 179 HA TYR 23 HA TYR 23 12.039 5.897 -9.266 180 1HB TYR 23 1HB TYR 23 9.812 5.601 -7.270 181 2HB TYR 23 2HB TYR 23 11.496 5.299 -6.855 182 HD1 TYR 23 HD1 TYR 23 9.217 7.905 -8.210 183 HD2 TYR 23 HD2 TYR 23 12.896 7.078 -6.240 184 HE1 TYR 23 HE1 TYR 23 9.532 10.307 -7.808 185 HE2 TYR 23 HE2 TYR 23 13.221 9.480 -5.832 186 HH TYR 23 HH TYR 23 12.133 11.508 -5.794 187 H SER 24 H SER 24 12.767 4.073 -7.678 188 HA SER 24 HA SER 24 12.493 1.638 -9.185 189 1HB SER 24 1HB SER 24 14.389 0.854 -7.972 190 2HB SER 24 2HB SER 24 14.690 2.548 -8.356 191 HG SER 24 HG SER 24 14.811 2.927 -6.304 192 H LEU 25 H LEU 25 12.389 -0.437 -8.046 193 HA LEU 25 HA LEU 25 10.003 -0.990 -6.937 194 1HB LEU 25 1HB LEU 25 12.594 -2.294 -7.109 195 2HB LEU 25 2HB LEU 25 11.662 -2.832 -5.722 196 HG LEU 25 HG LEU 25 10.305 -2.721 -8.357 197 1HD1 LEU 25 1HD1 LEU 25 12.737 -3.966 -8.210 198 2HD1 LEU 25 2HD1 LEU 25 11.615 -5.272 -7.830 199 3HD1 LEU 25 3HD1 LEU 25 11.443 -4.372 -9.337 200 1HD2 LEU 25 1HD2 LEU 25 10.120 -4.250 -5.803 201 2HD2 LEU 25 2HD2 LEU 25 8.861 -3.403 -6.701 202 3HD2 LEU 25 3HD2 LEU 25 9.467 -4.953 -7.283 203 H GLY 26 H GLY 26 12.976 -0.652 -4.968 204 1HA GLY 26 1HA GLY 26 13.245 0.195 -2.837 205 2HA GLY 26 2HA GLY 26 11.995 -0.979 -2.465 206 H ASN 27 H ASN 27 11.538 1.885 -4.451 207 HA ASN 27 HA ASN 27 10.432 3.475 -2.352 208 1HB ASN 27 1HB ASN 27 10.019 3.916 -5.303 209 2HB ASN 27 2HB ASN 27 10.038 5.116 -4.014 210 2HD2 ASN 27 2HD2 ASN 27 12.083 5.451 -2.898 211 1HD2 ASN 27 1HD2 ASN 27 13.554 5.282 -3.788 212 H TRP 28 H TRP 28 9.107 1.412 -4.857 213 HA TRP 28 HA TRP 28 6.370 2.077 -4.494 214 1HB TRP 28 1HB TRP 28 7.692 -0.363 -5.669 215 2HB TRP 28 2HB TRP 28 5.959 -0.039 -5.733 216 HD1 TRP 28 HD1 TRP 28 9.224 0.909 -7.335 217 HE1 TRP 28 HE1 TRP 28 8.790 2.543 -9.265 218 HE3 TRP 28 HE3 TRP 28 4.270 1.801 -6.516 219 HZ2 TRP 28 HZ2 TRP 28 6.611 4.002 -10.336 220 HZ3 TRP 28 HZ3 TRP 28 3.059 3.309 -8.032 221 HH2 TRP 28 HH2 TRP 28 4.211 4.394 -9.910 222 H VAL 29 H VAL 29 8.388 -0.597 -3.311 223 HA VAL 29 HA VAL 29 6.386 -1.933 -1.893 224 HB VAL 29 HB VAL 29 9.345 -1.831 -1.298 225 1HG1 VAL 29 1HG1 VAL 29 7.901 -2.726 0.532 226 2HG1 VAL 29 2HG1 VAL 29 7.370 -3.988 -0.580 227 3HG1 VAL 29 3HG1 VAL 29 9.067 -3.884 -0.111 228 1HG2 VAL 29 1HG2 VAL 29 7.786 -3.118 -3.410 229 2HG2 VAL 29 2HG2 VAL 29 9.513 -2.771 -3.323 230 3HG2 VAL 29 3HG2 VAL 29 8.863 -4.214 -2.545 231 H CYS 30 H CYS 30 8.748 0.464 -0.822 232 HA CYS 30 HA CYS 30 8.063 0.537 1.869 233 1HB CYS 30 1HB CYS 30 10.019 1.643 0.639 234 2HB CYS 30 2HB CYS 30 8.904 2.957 0.285 235 H ALA 31 H ALA 31 6.840 2.554 -0.801 236 HA ALA 31 HA ALA 31 5.057 4.084 0.739 237 1HB ALA 31 1HB ALA 31 5.942 4.193 -1.811 238 2HB ALA 31 2HB ALA 31 4.574 5.118 -1.194 239 3HB ALA 31 3HB ALA 31 4.297 3.606 -2.057 240 H ALA 32 H ALA 32 4.511 1.158 -1.207 241 HA ALA 32 HA ALA 32 1.726 1.028 -0.715 242 1HB ALA 32 1HB ALA 32 2.259 -0.196 -2.560 243 2HB ALA 32 2HB ALA 32 2.226 -1.488 -1.361 244 3HB ALA 32 3HB ALA 32 3.766 -0.794 -1.867 245 H LYS 33 H LYS 33 4.455 -0.773 0.702 246 HA LYS 33 HA LYS 33 3.193 -2.460 2.401 247 1HB LYS 33 1HB LYS 33 5.595 -2.456 2.182 248 2HB LYS 33 2HB LYS 33 5.699 -0.855 2.897 249 1HG LYS 33 1HG LYS 33 5.222 -1.642 5.035 250 2HG LYS 33 2HG LYS 33 4.541 -3.153 4.426 251 1HD LYS 33 1HD LYS 33 6.741 -3.900 3.736 252 2HD LYS 33 2HD LYS 33 7.446 -2.362 4.232 253 1HE LYS 33 1HE LYS 33 7.589 -3.012 6.360 254 2HE LYS 33 2HE LYS 33 5.923 -3.592 6.367 255 1HZ LYS 33 1HZ LYS 33 7.400 -5.391 4.856 256 2HZ LYS 33 2HZ LYS 33 8.309 -5.087 6.249 257 3HZ LYS 33 3HZ LYS 33 6.717 -5.643 6.383 258 H PHE 34 H PHE 34 4.226 0.833 3.284 259 HA PHE 34 HA PHE 34 2.769 0.704 5.728 260 1HB PHE 34 1HB PHE 34 4.513 2.633 4.437 261 2HB PHE 34 2HB PHE 34 3.367 3.300 5.580 262 HD1 PHE 34 HD1 PHE 34 3.334 2.269 7.922 263 HD2 PHE 34 HD2 PHE 34 6.507 1.686 5.146 264 HE1 PHE 34 HE1 PHE 34 4.826 1.623 9.769 265 HE2 PHE 34 HE2 PHE 34 8.005 1.039 6.989 266 HZ PHE 34 HZ PHE 34 7.165 1.007 9.304 267 H GLU 35 H GLU 35 1.909 1.585 2.544 268 HA GLU 35 HA GLU 35 -0.033 3.532 3.086 269 1HB GLU 35 1HB GLU 35 1.015 2.156 0.859 270 2HB GLU 35 2HB GLU 35 -0.720 1.879 0.834 271 1HG GLU 35 1HG GLU 35 -1.208 4.130 0.582 272 2HG GLU 35 2HG GLU 35 0.360 4.640 1.207 273 H SER 36 H SER 36 -0.430 0.079 2.358 274 HA SER 36 HA SER 36 -2.963 0.112 3.876 275 1HB SER 36 1HB SER 36 -3.725 -1.607 2.107 276 2HB SER 36 2HB SER 36 -3.646 0.081 1.608 277 HG SER 36 HG SER 36 -1.573 -0.387 0.723 278 H ASN 37 H ASN 37 -0.051 -0.940 4.264 279 HA ASN 37 HA ASN 37 0.948 -2.741 5.258 280 1HB ASN 37 1HB ASN 37 -1.929 -3.234 6.037 281 2HB ASN 37 2HB ASN 37 -0.621 -4.288 6.565 282 2HD2 ASN 37 2HD2 ASN 37 -1.393 -0.827 6.405 283 1HD2 ASN 37 1HD2 ASN 37 -0.775 -0.443 7.972 284 H PHE 38 H PHE 38 0.034 -2.768 2.523 285 HA PHE 38 HA PHE 38 0.224 -4.056 0.726 286 1HB PHE 38 1HB PHE 38 0.874 -6.123 2.800 287 2HB PHE 38 2HB PHE 38 0.696 -6.565 1.103 288 HD1 PHE 38 HD1 PHE 38 1.907 -4.568 -0.428 289 HD2 PHE 38 HD2 PHE 38 3.086 -5.974 3.409 290 HE1 PHE 38 HE1 PHE 38 4.202 -3.818 -0.872 291 HE2 PHE 38 HE2 PHE 38 5.388 -5.223 2.975 292 HZ PHE 38 HZ PHE 38 5.952 -4.153 0.831 293 H ASN 39 H ASN 39 -2.306 -3.567 2.221 294 HA ASN 39 HA ASN 39 -3.924 -5.880 1.503 295 1HB ASN 39 1HB ASN 39 -4.213 -4.220 3.554 296 2HB ASN 39 2HB ASN 39 -5.145 -3.299 2.378 297 2HD2 ASN 39 2HD2 ASN 39 -6.205 -5.457 0.928 298 1HD2 ASN 39 1HD2 ASN 39 -7.341 -6.278 1.937 299 H THR 40 H THR 40 -4.280 -6.097 -0.594 300 HA THR 40 HA THR 40 -4.516 -3.774 -2.319 301 HB THR 40 HB THR 40 -4.057 -5.171 -4.079 302 HG1 THR 40 HG1 THR 40 -5.169 -7.374 -2.652 303 1HG2 THR 40 1HG2 THR 40 -2.608 -5.697 -1.772 304 2HG2 THR 40 2HG2 THR 40 -2.983 -7.291 -2.427 305 3HG2 THR 40 3HG2 THR 40 -2.141 -6.105 -3.423 306 H GLN 41 H GLN 41 -6.541 -6.152 -0.839 307 HA GLN 41 HA GLN 41 -8.796 -5.538 -2.567 308 1HB GLN 41 1HB GLN 41 -8.114 -7.623 -0.577 309 2HB GLN 41 2HB GLN 41 -9.810 -7.224 -0.752 310 1HG GLN 41 1HG GLN 41 -9.667 -7.699 -3.152 311 2HG GLN 41 2HG GLN 41 -7.968 -8.122 -2.952 312 2HE2 GLN 41 2HE2 GLN 41 -8.250 -10.220 -3.651 313 1HE2 GLN 41 1HE2 GLN 41 -9.075 -11.414 -2.714 314 H ALA 42 H ALA 42 -7.450 -4.043 0.000 315 HA ALA 42 HA ALA 42 -9.920 -3.503 1.439 316 1HB ALA 42 1HB ALA 42 -8.375 -2.094 2.882 317 2HB ALA 42 2HB ALA 42 -7.054 -2.789 1.942 318 3HB ALA 42 3HB ALA 42 -8.114 -3.838 2.884 319 H THR 43 H THR 43 -10.342 -1.272 2.115 320 HA THR 43 HA THR 43 -9.796 0.737 0.026 321 HB THR 43 HB THR 43 -12.004 1.325 -0.258 322 HG1 THR 43 HG1 THR 43 -13.388 1.435 1.365 323 1HG2 THR 43 1HG2 THR 43 -11.493 -1.341 -0.515 324 2HG2 THR 43 2HG2 THR 43 -12.919 -1.352 0.525 325 3HG2 THR 43 3HG2 THR 43 -12.978 -0.548 -1.044 326 H ASN 44 H ASN 44 -9.799 2.933 0.825 327 HA ASN 44 HA ASN 44 -9.909 3.171 3.756 328 1HB ASN 44 1HB ASN 44 -7.549 3.138 2.439 329 2HB ASN 44 2HB ASN 44 -7.917 4.858 2.364 330 2HD2 ASN 44 2HD2 ASN 44 -6.025 2.987 3.937 331 1HD2 ASN 44 1HD2 ASN 44 -6.146 3.588 5.553 332 H ARG 45 H ARG 45 -11.900 4.189 3.726 333 HA ARG 45 HA ARG 45 -12.507 6.387 2.025 334 1HB ARG 45 1HB ARG 45 -14.181 4.867 3.147 335 2HB ARG 45 2HB ARG 45 -13.831 5.705 4.651 336 1HG ARG 45 1HG ARG 45 -14.953 7.575 4.038 337 2HG ARG 45 2HG ARG 45 -14.577 7.373 2.325 338 1HD ARG 45 1HD ARG 45 -16.630 6.576 2.033 339 2HD ARG 45 2HD ARG 45 -16.171 5.179 3.007 340 HE ARG 45 HE ARG 45 -16.942 6.576 4.961 341 1HH1 ARG 45 1HH1 ARG 45 -18.232 6.996 1.752 342 2HH1 ARG 45 2HH1 ARG 45 -19.755 7.608 2.304 343 1HH2 ARG 45 1HH2 ARG 45 -18.944 7.380 5.698 344 2HH2 ARG 45 2HH2 ARG 45 -20.159 7.827 4.547 345 H ASN 46 H ASN 46 -12.199 8.513 2.281 346 HA ASN 46 HA ASN 46 -10.843 9.403 4.738 347 1HB ASN 46 1HB ASN 46 -10.848 10.925 2.146 348 2HB ASN 46 2HB ASN 46 -9.709 11.035 3.483 349 2HD2 ASN 46 2HD2 ASN 46 -10.158 9.880 0.436 350 1HD2 ASN 46 1HD2 ASN 46 -8.937 8.659 0.409 351 H THR 47 H THR 47 -11.154 11.915 4.977 352 HA THR 47 HA THR 47 -13.995 12.288 5.413 353 HB THR 47 HB THR 47 -13.351 14.327 6.621 354 HG1 THR 47 HG1 THR 47 -10.646 13.635 6.088 355 1HG2 THR 47 1HG2 THR 47 -13.319 12.157 7.787 356 2HG2 THR 47 2HG2 THR 47 -11.619 11.966 7.360 357 3HG2 THR 47 3HG2 THR 47 -12.116 13.273 8.434 358 H ASP 48 H ASP 48 -11.530 13.418 3.239 359 HA ASP 48 HA ASP 48 -12.859 15.761 2.342 360 1HB ASP 48 1HB ASP 48 -11.303 15.543 0.364 361 2HB ASP 48 2HB ASP 48 -10.518 15.606 1.939 362 H GLY 49 H GLY 49 -13.547 12.501 1.917 363 1HA GLY 49 1HA GLY 49 -15.276 13.150 -0.389 364 2HA GLY 49 2HA GLY 49 -15.687 11.988 0.861 365 H SER 50 H SER 50 -12.478 12.138 -0.512 366 HA SER 50 HA SER 50 -12.942 10.128 -2.492 367 1HB SER 50 1HB SER 50 -10.278 10.058 -2.274 368 2HB SER 50 2HB SER 50 -11.116 11.353 -3.128 369 HG SER 50 HG SER 50 -10.594 12.717 -1.593 370 H THR 51 H THR 51 -11.046 8.278 -2.342 371 HA THR 51 HA THR 51 -10.867 7.048 0.250 372 HB THR 51 HB THR 51 -12.566 5.703 -1.859 373 HG1 THR 51 HG1 THR 51 -14.149 6.707 -0.897 374 1HG2 THR 51 1HG2 THR 51 -11.079 4.637 0.328 375 2HG2 THR 51 2HG2 THR 51 -12.798 4.481 0.686 376 3HG2 THR 51 3HG2 THR 51 -12.141 3.792 -0.799 377 H ASP 52 H ASP 52 -9.527 5.107 0.209 378 HA ASP 52 HA ASP 52 -7.830 4.985 -2.190 379 1HB ASP 52 1HB ASP 52 -7.207 4.130 0.644 380 2HB ASP 52 2HB ASP 52 -6.090 4.091 -0.715 381 H TYR 53 H TYR 53 -8.874 3.533 -3.424 382 HA TYR 53 HA TYR 53 -9.651 1.004 -2.237 383 1HB TYR 53 1HB TYR 53 -10.065 2.141 -4.998 384 2HB TYR 53 2HB TYR 53 -10.538 0.511 -4.527 385 HD1 TYR 53 HD1 TYR 53 -12.352 0.152 -2.917 386 HD2 TYR 53 HD2 TYR 53 -11.331 4.055 -4.266 387 HE1 TYR 53 HE1 TYR 53 -14.501 0.999 -2.075 388 HE2 TYR 53 HE2 TYR 53 -13.477 4.912 -3.428 389 HH TYR 53 HH TYR 53 -15.650 4.164 -2.824 390 H GLY 54 H GLY 54 -7.614 0.238 -1.770 391 1HA GLY 54 1HA GLY 54 -5.950 -0.511 -4.094 392 2HA GLY 54 2HA GLY 54 -6.590 -1.797 -3.099 393 H ILE 55 H ILE 55 -4.109 -1.960 -3.462 394 HA ILE 55 HA ILE 55 -2.912 -1.578 -0.869 395 HB ILE 55 HB ILE 55 -2.591 -3.637 -2.308 396 1HG1 ILE 55 1HG1 ILE 55 -0.064 -2.169 -1.517 397 2HG1 ILE 55 2HG1 ILE 55 -1.087 -3.095 -0.422 398 1HG2 ILE 55 1HG2 ILE 55 -2.316 -2.403 -4.436 399 2HG2 ILE 55 2HG2 ILE 55 -0.739 -1.848 -3.876 400 3HG2 ILE 55 3HG2 ILE 55 -1.027 -3.568 -4.136 401 1HD1 ILE 55 1HD1 ILE 55 -0.594 -4.959 -2.293 402 2HD1 ILE 55 2HD1 ILE 55 0.886 -4.007 -2.398 403 3HD1 ILE 55 3HD1 ILE 55 0.402 -4.716 -0.858 404 H LEU 56 H LEU 56 -2.978 0.054 -3.886 405 HA LEU 56 HA LEU 56 -0.696 1.734 -3.089 406 1HB LEU 56 1HB LEU 56 -1.225 0.495 -5.561 407 2HB LEU 56 2HB LEU 56 -1.587 2.193 -5.805 408 HG LEU 56 HG LEU 56 0.660 2.044 -6.432 409 1HD1 LEU 56 1HD1 LEU 56 0.150 3.741 -4.579 410 2HD1 LEU 56 2HD1 LEU 56 1.040 2.648 -3.519 411 3HD1 LEU 56 3HD1 LEU 56 1.839 3.365 -4.919 412 1HD2 LEU 56 1HD2 LEU 56 0.728 -0.333 -5.277 413 2HD2 LEU 56 2HD2 LEU 56 2.205 0.559 -5.647 414 3HD2 LEU 56 3HD2 LEU 56 1.555 0.571 -4.007 415 H GLN 57 H GLN 57 -3.846 1.584 -2.740 416 HA GLN 57 HA GLN 57 -5.475 3.061 -2.237 417 1HB GLN 57 1HB GLN 57 -3.322 5.160 -2.528 418 2HB GLN 57 2HB GLN 57 -4.872 5.364 -1.723 419 1HG GLN 57 1HG GLN 57 -4.115 3.451 -0.199 420 2HG GLN 57 2HG GLN 57 -2.506 3.751 -0.854 421 2HE2 GLN 57 2HE2 GLN 57 -2.159 6.317 -0.966 422 1HE2 GLN 57 1HE2 GLN 57 -2.396 7.095 0.558 423 H ILE 58 H ILE 58 -6.252 2.378 -4.496 424 HA ILE 58 HA ILE 58 -5.921 4.391 -6.541 425 HB ILE 58 HB ILE 58 -7.921 2.149 -6.637 426 1HG1 ILE 58 1HG1 ILE 58 -5.918 1.014 -6.003 427 2HG1 ILE 58 2HG1 ILE 58 -6.086 0.801 -7.742 428 1HG2 ILE 58 1HG2 ILE 58 -6.362 3.675 -8.711 429 2HG2 ILE 58 2HG2 ILE 58 -7.347 2.256 -9.066 430 3HG2 ILE 58 3HG2 ILE 58 -8.101 3.715 -8.426 431 1HD1 ILE 58 1HD1 ILE 58 -4.563 3.106 -7.463 432 2HD1 ILE 58 2HD1 ILE 58 -3.951 2.002 -6.230 433 3HD1 ILE 58 3HD1 ILE 58 -3.993 1.500 -7.921 434 H ASN 59 H ASN 59 -6.869 6.280 -5.923 435 HA ASN 59 HA ASN 59 -9.287 6.439 -4.495 436 1HB ASN 59 1HB ASN 59 -7.591 8.239 -4.557 437 2HB ASN 59 2HB ASN 59 -7.970 8.524 -6.253 438 2HD2 ASN 59 2HD2 ASN 59 -8.252 10.704 -5.119 439 1HD2 ASN 59 1HD2 ASN 59 -9.859 11.083 -4.609 440 H SER 60 H SER 60 -11.009 5.402 -5.409 441 HA SER 60 HA SER 60 -11.587 5.423 -8.180 442 1HB SER 60 1HB SER 60 -13.417 4.125 -7.654 443 2HB SER 60 2HB SER 60 -12.436 3.869 -6.211 444 HG SER 60 HG SER 60 -14.732 5.453 -6.547 445 H ARG 61 H ARG 61 -11.958 7.828 -5.816 446 HA ARG 61 HA ARG 61 -14.180 9.117 -7.221 447 1HB ARG 61 1HB ARG 61 -13.809 8.927 -4.599 448 2HB ARG 61 2HB ARG 61 -12.830 10.363 -4.866 449 1HG ARG 61 1HG ARG 61 -15.031 11.087 -6.203 450 2HG ARG 61 2HG ARG 61 -15.754 10.004 -5.011 451 1HD ARG 61 1HD ARG 61 -15.002 11.297 -3.212 452 2HD ARG 61 2HD ARG 61 -13.816 12.146 -4.203 453 HE ARG 61 HE ARG 61 -16.589 12.808 -3.872 454 1HH1 ARG 61 1HH1 ARG 61 -13.833 13.054 -5.988 455 2HH1 ARG 61 2HH1 ARG 61 -14.416 14.472 -6.794 456 1HH2 ARG 61 1HH2 ARG 61 -17.365 14.674 -4.928 457 2HH2 ARG 61 2HH2 ARG 61 -16.424 15.392 -6.191 458 H TRP 62 H TRP 62 -11.370 8.794 -8.186 459 HA TRP 62 HA TRP 62 -11.090 11.431 -9.286 460 1HB TRP 62 1HB TRP 62 -9.688 10.888 -6.908 461 2HB TRP 62 2HB TRP 62 -8.493 10.853 -8.200 462 HD1 TRP 62 HD1 TRP 62 -8.512 13.149 -9.831 463 HE1 TRP 62 HE1 TRP 62 -8.813 15.600 -9.105 464 HE3 TRP 62 HE3 TRP 62 -10.712 12.383 -5.281 465 HZ2 TRP 62 HZ2 TRP 62 -9.846 17.020 -6.894 466 HZ3 TRP 62 HZ3 TRP 62 -11.326 14.340 -3.923 467 HH2 TRP 62 HH2 TRP 62 -10.901 16.610 -4.713 468 H TRP 63 H TRP 63 -10.448 8.091 -9.371 469 HA TRP 63 HA TRP 63 -8.911 8.475 -11.843 470 1HB TRP 63 1HB TRP 63 -8.372 6.487 -9.633 471 2HB TRP 63 2HB TRP 63 -7.661 6.364 -11.241 472 HD1 TRP 63 HD1 TRP 63 -6.555 7.386 -8.034 473 HE1 TRP 63 HE1 TRP 63 -4.779 9.254 -8.145 474 HE3 TRP 63 HE3 TRP 63 -7.322 8.923 -12.818 475 HZ2 TRP 63 HZ2 TRP 63 -3.843 11.150 -10.041 476 HZ3 TRP 63 HZ3 TRP 63 -5.998 10.763 -13.717 477 HH2 TRP 63 HH2 TRP 63 -4.270 11.860 -12.361 478 H CYS 64 H CYS 64 -10.174 5.657 -10.122 479 HA CYS 64 HA CYS 64 -11.274 4.696 -12.642 480 1HB CYS 64 1HB CYS 64 -11.339 2.549 -11.701 481 2HB CYS 64 2HB CYS 64 -9.898 3.267 -10.993 482 H ASN 65 H ASN 65 -13.359 3.780 -12.824 483 HA ASN 65 HA ASN 65 -15.356 5.377 -11.403 484 1HB ASN 65 1HB ASN 65 -15.196 5.044 -13.995 485 2HB ASN 65 2HB ASN 65 -16.004 3.515 -13.664 486 2HD2 ASN 65 2HD2 ASN 65 -16.500 6.629 -14.507 487 1HD2 ASN 65 1HD2 ASN 65 -18.131 6.826 -13.973 488 H ASP 66 H ASP 66 -15.951 4.474 -9.535 489 HA ASP 66 HA ASP 66 -16.300 1.576 -9.371 490 1HB ASP 66 1HB ASP 66 -16.332 1.842 -6.988 491 2HB ASP 66 2HB ASP 66 -15.001 2.808 -7.616 492 H GLY 67 H GLY 67 -18.128 4.475 -9.626 493 1HA GLY 67 1HA GLY 67 -20.573 2.999 -9.858 494 2HA GLY 67 2HA GLY 67 -20.391 4.741 -9.988 495 H ARG 68 H ARG 68 -19.062 3.410 -7.144 496 HA ARG 68 HA ARG 68 -21.509 3.649 -5.602 497 1HB ARG 68 1HB ARG 68 -18.688 3.011 -4.719 498 2HB ARG 68 2HB ARG 68 -20.121 2.919 -3.704 499 1HG ARG 68 1HG ARG 68 -21.028 1.216 -5.308 500 2HG ARG 68 2HG ARG 68 -19.443 1.213 -6.085 501 1HD ARG 68 1HD ARG 68 -19.172 -0.520 -4.619 502 2HD ARG 68 2HD ARG 68 -18.608 0.819 -3.620 503 HE ARG 68 HE ARG 68 -21.411 0.321 -3.326 504 1HH1 ARG 68 1HH1 ARG 68 -18.237 -0.677 -2.295 505 2HH1 ARG 68 2HH1 ARG 68 -18.787 -1.315 -0.782 506 1HH2 ARG 68 1HH2 ARG 68 -22.146 -0.516 -1.336 507 2HH2 ARG 68 2HH2 ARG 68 -21.010 -1.223 -0.237 508 H THR 69 H THR 69 -19.252 5.768 -6.741 509 HA THR 69 HA THR 69 -19.912 7.712 -4.645 510 HB THR 69 HB THR 69 -17.170 7.829 -5.816 511 HG1 THR 69 HG1 THR 69 -16.732 5.935 -4.976 512 1HG2 THR 69 1HG2 THR 69 -18.330 8.512 -3.112 513 2HG2 THR 69 2HG2 THR 69 -16.659 8.782 -3.605 514 3HG2 THR 69 3HG2 THR 69 -17.966 9.651 -4.408 515 HA PRO 70 HA PRO 70 -21.139 9.561 -8.643 516 1HB PRO 70 1HB PRO 70 -22.131 11.584 -6.700 517 2HB PRO 70 2HB PRO 70 -22.962 10.836 -8.068 518 1HG PRO 70 1HG PRO 70 -23.531 10.107 -5.572 519 2HG PRO 70 2HG PRO 70 -23.467 8.910 -6.879 520 1HD PRO 70 1HD PRO 70 -21.476 9.477 -4.725 521 2HD PRO 70 2HD PRO 70 -21.952 7.924 -5.442 522 H GLY 71 H GLY 71 -20.155 11.119 -9.835 523 1HA GLY 71 1HA GLY 71 -18.562 13.162 -8.455 524 2HA GLY 71 2HA GLY 71 -19.048 13.203 -10.142 525 H SER 72 H SER 72 -18.180 10.221 -10.144 526 HA SER 72 HA SER 72 -15.381 10.184 -9.762 527 1HB SER 72 1HB SER 72 -15.637 8.157 -11.435 528 2HB SER 72 2HB SER 72 -16.268 8.049 -9.792 529 HG SER 72 HG SER 72 -18.311 8.441 -10.559 530 H ARG 73 H ARG 73 -13.793 10.961 -10.967 531 HA ARG 73 HA ARG 73 -14.329 12.402 -13.371 532 1HB ARG 73 1HB ARG 73 -11.984 11.890 -11.645 533 2HB ARG 73 2HB ARG 73 -11.625 12.221 -13.334 534 1HG ARG 73 1HG ARG 73 -12.379 14.376 -13.219 535 2HG ARG 73 2HG ARG 73 -13.500 14.030 -11.901 536 1HD ARG 73 1HD ARG 73 -11.007 13.494 -10.821 537 2HD ARG 73 2HD ARG 73 -10.743 14.930 -11.810 538 HE ARG 73 HE ARG 73 -12.300 14.743 -9.390 539 1HH1 ARG 73 1HH1 ARG 73 -11.690 16.559 -12.300 540 2HH1 ARG 73 2HH1 ARG 73 -12.322 18.039 -11.663 541 1HH2 ARG 73 1HH2 ARG 73 -13.135 16.688 -8.542 542 2HH2 ARG 73 2HH2 ARG 73 -13.144 18.113 -9.527 543 H ASN 74 H ASN 74 -12.761 9.328 -12.621 544 HA ASN 74 HA ASN 74 -12.295 7.482 -13.886 545 1HB ASN 74 1HB ASN 74 -14.699 8.190 -14.787 546 2HB ASN 74 2HB ASN 74 -13.787 8.564 -16.247 547 2HD2 ASN 74 2HD2 ASN 74 -14.717 6.938 -17.442 548 1HD2 ASN 74 1HD2 ASN 74 -14.381 5.266 -17.170 549 H LEU 75 H LEU 75 -10.669 9.864 -13.907 550 HA LEU 75 HA LEU 75 -9.615 10.666 -16.327 551 1HB LEU 75 1HB LEU 75 -8.736 10.355 -13.532 552 2HB LEU 75 2HB LEU 75 -7.456 10.523 -14.709 553 HG LEU 75 HG LEU 75 -9.751 12.456 -14.265 554 1HD1 LEU 75 1HD1 LEU 75 -8.184 12.455 -12.399 555 2HD1 LEU 75 2HD1 LEU 75 -6.840 12.706 -13.513 556 3HD1 LEU 75 3HD1 LEU 75 -8.072 13.955 -13.319 557 1HD2 LEU 75 1HD2 LEU 75 -8.839 12.356 -16.598 558 2HD2 LEU 75 2HD2 LEU 75 -8.681 13.926 -15.811 559 3HD2 LEU 75 3HD2 LEU 75 -7.281 12.862 -15.947 560 H CYS 76 H CYS 76 -8.715 8.138 -14.206 561 HA CYS 76 HA CYS 76 -6.691 6.961 -15.804 562 1HB CYS 76 1HB CYS 76 -7.502 6.945 -13.211 563 2HB CYS 76 2HB CYS 76 -8.029 5.361 -13.758 564 H ASN 77 H ASN 77 -10.106 6.502 -15.303 565 HA ASN 77 HA ASN 77 -11.684 5.154 -16.259 566 1HB ASN 77 1HB ASN 77 -10.393 6.400 -18.280 567 2HB ASN 77 2HB ASN 77 -10.061 4.724 -18.707 568 2HD2 ASN 77 2HD2 ASN 77 -12.176 3.328 -18.302 569 1HD2 ASN 77 1HD2 ASN 77 -13.575 3.953 -19.100 570 H ILE 78 H ILE 78 -10.326 3.770 -14.530 571 HA ILE 78 HA ILE 78 -9.626 1.267 -15.886 572 HB ILE 78 HB ILE 78 -7.844 0.924 -14.571 573 1HG1 ILE 78 1HG1 ILE 78 -9.677 1.813 -12.434 574 2HG1 ILE 78 2HG1 ILE 78 -8.529 0.481 -12.448 575 1HG2 ILE 78 1HG2 ILE 78 -7.754 3.292 -15.486 576 2HG2 ILE 78 2HG2 ILE 78 -8.091 3.821 -13.837 577 3HG2 ILE 78 3HG2 ILE 78 -6.633 2.891 -14.185 578 1HD1 ILE 78 1HD1 ILE 78 -6.715 2.158 -12.087 579 2HD1 ILE 78 2HD1 ILE 78 -7.972 3.375 -11.866 580 3HD1 ILE 78 3HD1 ILE 78 -7.865 2.007 -10.758 581 HA PRO 79 HA PRO 79 -12.850 -0.652 -13.524 582 1HB PRO 79 1HB PRO 79 -11.538 -3.217 -13.573 583 2HB PRO 79 2HB PRO 79 -12.878 -2.662 -14.575 584 1HG PRO 79 1HG PRO 79 -10.353 -3.191 -15.524 585 2HG PRO 79 2HG PRO 79 -11.507 -2.098 -16.307 586 1HD PRO 79 1HD PRO 79 -9.171 -1.453 -14.553 587 2HD PRO 79 2HD PRO 79 -9.765 -0.609 -16.001 588 H CYS 80 H CYS 80 -12.910 -0.135 -11.401 589 HA CYS 80 HA CYS 80 -10.765 -0.329 -9.624 590 1HB CYS 80 1HB CYS 80 -13.626 -0.433 -8.714 591 2HB CYS 80 2HB CYS 80 -12.254 0.367 -7.954 592 H SER 81 H SER 81 -13.690 -2.388 -9.700 593 HA SER 81 HA SER 81 -12.887 -4.228 -7.801 594 1HB SER 81 1HB SER 81 -14.574 -5.700 -8.681 595 2HB SER 81 2HB SER 81 -15.167 -4.045 -8.827 596 HG SER 81 HG SER 81 -13.867 -4.559 -11.046 597 H ALA 82 H ALA 82 -11.787 -3.921 -11.085 598 HA ALA 82 HA ALA 82 -10.798 -6.592 -11.347 599 1HB ALA 82 1HB ALA 82 -11.344 -5.268 -13.309 600 2HB ALA 82 2HB ALA 82 -9.649 -5.755 -13.341 601 3HB ALA 82 3HB ALA 82 -10.084 -4.105 -12.894 602 H LEU 83 H LEU 83 -9.772 -4.014 -9.515 603 HA LEU 83 HA LEU 83 -6.972 -4.922 -9.535 604 1HB LEU 83 1HB LEU 83 -6.271 -2.811 -8.938 605 2HB LEU 83 2HB LEU 83 -7.638 -2.448 -9.971 606 HG LEU 83 HG LEU 83 -8.839 -2.540 -7.523 607 1HD1 LEU 83 1HD1 LEU 83 -6.036 -2.299 -7.027 608 2HD1 LEU 83 2HD1 LEU 83 -6.843 -0.800 -6.566 609 3HD1 LEU 83 3HD1 LEU 83 -7.370 -2.335 -5.876 610 1HD2 LEU 83 1HD2 LEU 83 -7.887 -0.474 -9.371 611 2HD2 LEU 83 2HD2 LEU 83 -9.471 -0.694 -8.629 612 3HD2 LEU 83 3HD2 LEU 83 -8.176 0.090 -7.724 613 H LEU 84 H LEU 84 -9.839 -4.994 -7.764 614 HA LEU 84 HA LEU 84 -8.431 -5.448 -5.233 615 1HB LEU 84 1HB LEU 84 -11.399 -5.337 -5.407 616 2HB LEU 84 2HB LEU 84 -10.331 -4.788 -4.127 617 HG LEU 84 HG LEU 84 -10.232 -3.357 -6.732 618 1HD1 LEU 84 1HD1 LEU 84 -12.679 -3.763 -5.512 619 2HD1 LEU 84 2HD1 LEU 84 -12.166 -2.180 -4.931 620 3HD1 LEU 84 3HD1 LEU 84 -12.274 -2.492 -6.664 621 1HD2 LEU 84 1HD2 LEU 84 -8.727 -2.883 -4.779 622 2HD2 LEU 84 2HD2 LEU 84 -9.636 -1.499 -5.382 623 3HD2 LEU 84 3HD2 LEU 84 -10.153 -2.318 -3.909 624 H SER 85 H SER 85 -8.237 -7.418 -7.191 625 HA SER 85 HA SER 85 -9.700 -9.597 -5.882 626 1HB SER 85 1HB SER 85 -10.002 -10.749 -8.019 627 2HB SER 85 2HB SER 85 -10.730 -9.145 -8.102 628 HG SER 85 HG SER 85 -9.032 -10.108 -9.774 629 H SER 86 H SER 86 -7.214 -8.631 -5.301 630 HA SER 86 HA SER 86 -5.158 -9.404 -4.670 631 1HB SER 86 1HB SER 86 -6.235 -11.635 -4.389 632 2HB SER 86 2HB SER 86 -5.930 -11.972 -6.093 633 HG SER 86 HG SER 86 -4.306 -12.369 -4.059 634 H ASP 87 H ASP 87 -6.077 -8.274 -7.262 635 HA ASP 87 HA ASP 87 -3.726 -8.869 -8.920 636 1HB ASP 87 1HB ASP 87 -6.054 -9.474 -9.738 637 2HB ASP 87 2HB ASP 87 -6.374 -7.747 -9.802 638 H ILE 88 H ILE 88 -2.267 -7.241 -8.706 639 HA ILE 88 HA ILE 88 -3.185 -4.571 -8.045 640 HB ILE 88 HB ILE 88 -0.568 -4.186 -8.321 641 1HG1 ILE 88 1HG1 ILE 88 -0.492 -6.987 -7.293 642 2HG1 ILE 88 2HG1 ILE 88 -0.537 -6.743 -9.036 643 1HG2 ILE 88 1HG2 ILE 88 -1.857 -3.818 -6.296 644 2HG2 ILE 88 2HG2 ILE 88 -1.859 -5.550 -5.965 645 3HG2 ILE 88 3HG2 ILE 88 -0.345 -4.648 -5.927 646 1HD1 ILE 88 1HD1 ILE 88 1.415 -5.024 -7.800 647 2HD1 ILE 88 2HD1 ILE 88 1.697 -6.717 -7.397 648 3HD1 ILE 88 3HD1 ILE 88 1.611 -6.216 -9.086 649 H THR 89 H THR 89 -2.709 -6.307 -10.860 650 HA THR 89 HA THR 89 -1.360 -4.729 -12.616 651 HB THR 89 HB THR 89 -4.006 -5.834 -13.480 652 HG1 THR 89 HG1 THR 89 -2.440 -7.844 -13.644 653 1HG2 THR 89 1HG2 THR 89 -1.234 -5.779 -14.677 654 2HG2 THR 89 2HG2 THR 89 -2.627 -6.569 -15.417 655 3HG2 THR 89 3HG2 THR 89 -2.627 -4.821 -15.181 656 H ALA 90 H ALA 90 -4.884 -4.445 -12.063 657 HA ALA 90 HA ALA 90 -5.219 -2.152 -13.564 658 1HB ALA 90 1HB ALA 90 -6.816 -3.655 -11.625 659 2HB ALA 90 2HB ALA 90 -7.253 -1.956 -11.801 660 3HB ALA 90 3HB ALA 90 -7.255 -3.017 -13.209 661 H SER 91 H SER 91 -4.616 -2.532 -10.092 662 HA SER 91 HA SER 91 -4.852 0.192 -9.401 663 1HB SER 91 1HB SER 91 -2.955 -1.018 -7.679 664 2HB SER 91 2HB SER 91 -4.667 -0.729 -7.369 665 HG SER 91 HG SER 91 -3.790 -2.970 -8.846 666 H VAL 92 H VAL 92 -2.210 -1.697 -10.648 667 HA VAL 92 HA VAL 92 -0.277 0.355 -10.165 668 HB VAL 92 HB VAL 92 -0.083 -2.103 -11.900 669 1HG1 VAL 92 1HG1 VAL 92 1.966 0.044 -11.330 670 2HG1 VAL 92 2HG1 VAL 92 2.358 -1.531 -12.017 671 3HG1 VAL 92 3HG1 VAL 92 1.312 -0.419 -12.900 672 1HG2 VAL 92 1HG2 VAL 92 -0.038 -1.989 -9.220 673 2HG2 VAL 92 2HG2 VAL 92 0.923 -3.140 -10.148 674 3HG2 VAL 92 3HG2 VAL 92 1.661 -1.654 -9.553 675 H ASN 93 H ASN 93 -1.873 -0.856 -13.126 676 HA ASN 93 HA ASN 93 -0.780 0.736 -14.967 677 1HB ASN 93 1HB ASN 93 -2.331 -0.265 -16.177 678 2HB ASN 93 2HB ASN 93 -3.144 -0.745 -14.710 679 2HD2 ASN 93 2HD2 ASN 93 -2.981 1.642 -17.233 680 1HD2 ASN 93 1HD2 ASN 93 -4.536 2.339 -16.951 681 H CYS 94 H CYS 94 -3.331 1.574 -12.720 682 HA CYS 94 HA CYS 94 -3.772 4.197 -13.614 683 1HB CYS 94 1HB CYS 94 -5.063 2.681 -11.870 684 2HB CYS 94 2HB CYS 94 -4.051 3.546 -10.716 685 H ALA 95 H ALA 95 -1.673 2.935 -11.013 686 HA ALA 95 HA ALA 95 -0.659 5.511 -10.355 687 1HB ALA 95 1HB ALA 95 -0.584 3.191 -9.067 688 2HB ALA 95 2HB ALA 95 1.040 3.193 -9.758 689 3HB ALA 95 3HB ALA 95 0.515 4.528 -8.731 690 H LYS 96 H LYS 96 0.451 2.970 -12.546 691 HA LYS 96 HA LYS 96 2.982 3.850 -13.147 692 1HB LYS 96 1HB LYS 96 1.767 1.835 -14.124 693 2HB LYS 96 2HB LYS 96 0.988 2.951 -15.237 694 1HG LYS 96 1HG LYS 96 3.763 3.456 -15.358 695 2HG LYS 96 2HG LYS 96 3.537 1.707 -15.440 696 1HD LYS 96 1HD LYS 96 1.690 3.311 -17.083 697 2HD LYS 96 2HD LYS 96 3.385 3.355 -17.577 698 1HE LYS 96 1HE LYS 96 3.252 0.773 -17.320 699 2HE LYS 96 2HE LYS 96 1.511 1.026 -17.431 700 1HZ LYS 96 1HZ LYS 96 2.648 2.500 -19.477 701 2HZ LYS 96 2HZ LYS 96 3.436 1.003 -19.499 702 3HZ LYS 96 3HZ LYS 96 1.751 1.074 -19.618 703 H LYS 97 H LYS 97 -0.137 4.965 -13.981 704 HA LYS 97 HA LYS 97 0.728 7.113 -15.731 705 1HB LYS 97 1HB LYS 97 -1.491 5.845 -15.933 706 2HB LYS 97 2HB LYS 97 -2.028 6.792 -14.552 707 1HG LYS 97 1HG LYS 97 -2.506 8.522 -15.848 708 2HG LYS 97 2HG LYS 97 -0.887 8.508 -16.552 709 1HD LYS 97 1HD LYS 97 -2.629 6.354 -17.503 710 2HD LYS 97 2HD LYS 97 -3.197 7.976 -17.908 711 1HE LYS 97 1HE LYS 97 -0.334 7.591 -18.339 712 2HE LYS 97 2HE LYS 97 -1.343 6.532 -19.321 713 1HZ LYS 97 1HZ LYS 97 -2.189 9.299 -19.225 714 2HZ LYS 97 2HZ LYS 97 -0.705 9.036 -19.992 715 3HZ LYS 97 3HZ LYS 97 -2.095 8.241 -20.540 716 H ILE 98 H ILE 98 -0.320 6.675 -12.409 717 HA ILE 98 HA ILE 98 -0.615 9.364 -11.710 718 HB ILE 98 HB ILE 98 0.154 7.020 -9.997 719 1HG1 ILE 98 1HG1 ILE 98 -2.473 8.515 -10.188 720 2HG1 ILE 98 2HG1 ILE 98 -2.123 7.059 -11.112 721 1HG2 ILE 98 1HG2 ILE 98 -0.276 9.895 -9.325 722 2HG2 ILE 98 2HG2 ILE 98 -0.760 8.651 -8.172 723 3HG2 ILE 98 3HG2 ILE 98 0.920 8.761 -8.698 724 1HD1 ILE 98 1HD1 ILE 98 -1.574 6.093 -8.723 725 2HD1 ILE 98 2HD1 ILE 98 -2.657 7.389 -8.216 726 3HD1 ILE 98 3HD1 ILE 98 -3.225 6.156 -9.342 727 H VAL 99 H VAL 99 2.153 7.206 -11.379 728 HA VAL 99 HA VAL 99 3.933 9.187 -10.411 729 HB VAL 99 HB VAL 99 4.147 6.673 -10.110 730 1HG1 VAL 99 1HG1 VAL 99 3.892 6.124 -12.518 731 2HG1 VAL 99 2HG1 VAL 99 5.476 6.843 -12.808 732 3HG1 VAL 99 3HG1 VAL 99 5.331 5.418 -11.781 733 1HG2 VAL 99 1HG2 VAL 99 6.306 8.607 -10.707 734 2HG2 VAL 99 2HG2 VAL 99 5.944 7.732 -9.219 735 3HG2 VAL 99 3HG2 VAL 99 6.763 6.910 -10.547 736 H SER 100 H SER 100 2.967 8.150 -13.598 737 HA SER 100 HA SER 100 5.213 9.436 -14.903 738 1HB SER 100 1HB SER 100 4.326 8.630 -16.930 739 2HB SER 100 2HB SER 100 3.900 7.377 -15.765 740 HG SER 100 HG SER 100 2.161 8.064 -17.179 741 H ASP 101 H ASP 101 2.364 10.406 -13.489 742 HA ASP 101 HA ASP 101 1.709 12.560 -15.290 743 1HB ASP 101 1HB ASP 101 0.075 11.287 -13.777 744 2HB ASP 101 2HB ASP 101 0.716 12.268 -12.461 745 H GLY 102 H GLY 102 4.154 12.124 -13.095 746 1HA GLY 102 1HA GLY 102 4.294 15.027 -12.550 747 2HA GLY 102 2HA GLY 102 5.694 14.083 -13.032 748 H ASN 103 H ASN 103 3.151 13.383 -10.639 749 HA ASN 103 HA ASN 103 5.043 13.745 -8.464 750 1HB ASN 103 1HB ASN 103 2.201 12.757 -8.233 751 2HB ASN 103 2HB ASN 103 3.185 13.533 -6.994 752 2HD2 ASN 103 2HD2 ASN 103 0.747 13.995 -9.148 753 1HD2 ASN 103 1HD2 ASN 103 0.814 15.715 -9.294 754 H GLY 104 H GLY 104 6.470 12.129 -8.204 755 1HA GLY 104 1HA GLY 104 7.125 9.842 -8.671 756 2HA GLY 104 2HA GLY 104 5.459 9.367 -8.400 757 H MET 105 H MET 105 4.730 8.987 -6.366 758 HA MET 105 HA MET 105 5.154 7.847 -4.370 759 1HB MET 105 1HB MET 105 7.684 9.486 -4.176 760 2HB MET 105 2HB MET 105 7.142 8.294 -3.007 761 1HG MET 105 1HG MET 105 7.363 7.296 -5.744 762 2HG MET 105 2HG MET 105 8.884 7.818 -5.019 763 1HE MET 105 1HE MET 105 5.673 5.908 -4.490 764 2HE MET 105 2HE MET 105 6.616 4.732 -5.406 765 3HE MET 105 3HE MET 105 6.176 4.398 -3.731 766 H ASN 106 H ASN 106 5.163 11.156 -5.137 767 HA ASN 106 HA ASN 106 4.682 12.198 -2.533 768 1HB ASN 106 1HB ASN 106 4.656 13.197 -5.324 769 2HB ASN 106 2HB ASN 106 3.705 14.095 -4.156 770 2HD2 ASN 106 2HD2 ASN 106 4.734 15.228 -2.533 771 1HD2 ASN 106 1HD2 ASN 106 6.440 15.504 -2.524 772 H ALA 107 H ALA 107 2.632 11.212 -5.243 773 HA ALA 107 HA ALA 107 0.183 12.165 -4.346 774 1HB ALA 107 1HB ALA 107 0.714 11.121 -6.584 775 2HB ALA 107 2HB ALA 107 0.529 9.553 -5.797 776 3HB ALA 107 3HB ALA 107 -0.834 10.671 -5.870 777 H TRP 108 H TRP 108 2.145 9.775 -2.971 778 HA TRP 108 HA TRP 108 -0.117 8.743 -1.393 779 1HB TRP 108 1HB TRP 108 2.521 7.371 -1.956 780 2HB TRP 108 2HB TRP 108 1.157 6.690 -1.070 781 HD1 TRP 108 HD1 TRP 108 -1.016 5.989 -2.513 782 HE1 TRP 108 HE1 TRP 108 -1.292 5.414 -5.006 783 HE3 TRP 108 HE3 TRP 108 3.372 7.916 -4.285 784 HZ2 TRP 108 HZ2 TRP 108 0.156 5.735 -7.414 785 HZ3 TRP 108 HZ3 TRP 108 3.852 7.743 -6.691 786 HH2 TRP 108 HH2 TRP 108 2.278 6.675 -8.220 787 H VAL 109 H VAL 109 -0.188 9.459 0.597 788 HA VAL 109 HA VAL 109 1.915 10.947 1.790 789 HB VAL 109 HB VAL 109 -0.163 10.053 3.563 790 1HG1 VAL 109 1HG1 VAL 109 1.458 12.365 3.069 791 2HG1 VAL 109 2HG1 VAL 109 -0.235 12.819 3.256 792 3HG1 VAL 109 3HG1 VAL 109 0.578 11.908 4.528 793 1HG2 VAL 109 1HG2 VAL 109 -0.856 11.394 0.983 794 2HG2 VAL 109 2HG2 VAL 109 -1.635 10.011 1.752 795 3HG2 VAL 109 3HG2 VAL 109 -1.840 11.627 2.428 796 H ALA 110 H ALA 110 0.957 7.612 2.038 797 HA ALA 110 HA ALA 110 2.115 7.082 4.567 798 1HB ALA 110 1HB ALA 110 1.614 5.211 2.253 799 2HB ALA 110 2HB ALA 110 2.009 4.719 3.900 800 3HB ALA 110 3HB ALA 110 0.497 5.566 3.571 801 H TRP 111 H TRP 111 3.462 7.693 1.526 802 HA TRP 111 HA TRP 111 5.973 6.351 2.163 803 1HB TRP 111 1HB TRP 111 5.306 6.138 -0.131 804 2HB TRP 111 2HB TRP 111 5.091 7.872 -0.294 805 HD1 TRP 111 HD1 TRP 111 7.734 5.165 -0.401 806 HE1 TRP 111 HE1 TRP 111 9.962 6.181 -1.192 807 HE3 TRP 111 HE3 TRP 111 6.476 10.119 -0.228 808 HZ2 TRP 111 HZ2 TRP 111 11.043 8.741 -1.680 809 HZ3 TRP 111 HZ3 TRP 111 8.166 11.786 -0.876 810 HH2 TRP 111 HH2 TRP 111 10.402 11.110 -1.584 811 H ARG 112 H ARG 112 4.615 9.616 1.939 812 HA ARG 112 HA ARG 112 7.190 10.789 2.631 813 1HB ARG 112 1HB ARG 112 4.878 11.648 1.224 814 2HB ARG 112 2HB ARG 112 5.073 12.683 2.631 815 1HG ARG 112 1HG ARG 112 7.619 12.355 1.419 816 2HG ARG 112 2HG ARG 112 6.455 12.780 0.162 817 1HD ARG 112 1HD ARG 112 6.184 14.331 2.633 818 2HD ARG 112 2HD ARG 112 7.723 14.557 1.803 819 HE ARG 112 HE ARG 112 5.500 14.741 0.022 820 1HH1 ARG 112 1HH1 ARG 112 7.356 16.500 2.391 821 2HH1 ARG 112 2HH1 ARG 112 6.968 18.053 1.729 822 1HH2 ARG 112 1HH2 ARG 112 4.985 16.782 -0.854 823 2HH2 ARG 112 2HH2 ARG 112 5.620 18.214 -0.114 824 H ASN 113 H ASN 113 6.214 9.125 4.576 825 HA ASN 113 HA ASN 113 5.958 10.953 6.791 826 1HB ASN 113 1HB ASN 113 3.601 9.761 5.692 827 2HB ASN 113 2HB ASN 113 3.882 9.083 7.293 828 2HD2 ASN 113 2HD2 ASN 113 4.743 10.967 8.832 829 1HD2 ASN 113 1HD2 ASN 113 3.695 12.340 8.874 830 H ARG 114 H ARG 114 5.275 7.520 6.142 831 HA ARG 114 HA ARG 114 6.889 6.794 8.463 832 1HB ARG 114 1HB ARG 114 4.772 5.478 6.848 833 2HB ARG 114 2HB ARG 114 5.973 4.438 7.593 834 1HG ARG 114 1HG ARG 114 4.470 6.502 9.166 835 2HG ARG 114 2HG ARG 114 3.831 4.880 8.890 836 1HD ARG 114 1HD ARG 114 5.202 3.971 10.405 837 2HD ARG 114 2HD ARG 114 6.596 4.866 9.800 838 HE ARG 114 HE ARG 114 6.165 6.551 11.345 839 1HH1 ARG 114 1HH1 ARG 114 3.699 4.092 11.448 840 2HH1 ARG 114 2HH1 ARG 114 3.040 4.635 12.954 841 1HH2 ARG 114 1HH2 ARG 114 5.304 7.272 13.329 842 2HH2 ARG 114 2HH2 ARG 114 3.951 6.443 14.023 843 H CYS 115 H CYS 115 7.253 7.140 5.150 844 HA CYS 115 HA CYS 115 9.406 5.141 5.052 845 1HB CYS 115 1HB CYS 115 7.610 4.941 3.349 846 2HB CYS 115 2HB CYS 115 8.051 6.533 2.740 847 H LYS 116 H LYS 116 8.666 8.524 4.280 848 HA LYS 116 HA LYS 116 11.175 9.221 3.257 849 1HB LYS 116 1HB LYS 116 9.085 10.593 3.108 850 2HB LYS 116 2HB LYS 116 9.302 11.021 4.800 851 1HG LYS 116 1HG LYS 116 11.100 12.376 4.373 852 2HG LYS 116 2HG LYS 116 11.536 11.515 2.895 853 1HD LYS 116 1HD LYS 116 10.335 12.917 1.648 854 2HD LYS 116 2HD LYS 116 8.910 12.682 2.663 855 1HE LYS 116 1HE LYS 116 9.361 14.969 2.828 856 2HE LYS 116 2HE LYS 116 10.042 14.286 4.304 857 1HZ LYS 116 1HZ LYS 116 12.149 14.150 2.698 858 2HZ LYS 116 2HZ LYS 116 11.384 15.502 2.030 859 3HZ LYS 116 3HZ LYS 116 11.815 15.496 3.666 860 H GLY 117 H GLY 117 12.801 8.296 4.538 861 1HA GLY 117 1HA GLY 117 13.019 9.276 7.297 862 2HA GLY 117 2HA GLY 117 14.322 9.625 6.175 863 H THR 118 H THR 118 13.141 6.669 5.279 864 HA THR 118 HA THR 118 15.001 5.256 7.074 865 HB THR 118 HB THR 118 13.676 3.217 6.652 866 HG1 THR 118 HG1 THR 118 12.786 3.916 4.612 867 1HG2 THR 118 1HG2 THR 118 13.187 4.887 8.538 868 2HG2 THR 118 2HG2 THR 118 11.790 5.367 7.575 869 3HG2 THR 118 3HG2 THR 118 11.936 3.705 8.150 870 H ASP 119 H ASP 119 14.843 2.817 5.500 871 HA ASP 119 HA ASP 119 16.267 3.633 3.072 872 1HB ASP 119 1HB ASP 119 17.620 2.732 5.109 873 2HB ASP 119 2HB ASP 119 17.092 1.197 4.456 874 H VAL 120 H VAL 120 15.045 3.042 1.408 875 HA VAL 120 HA VAL 120 13.245 0.823 1.517 876 HB VAL 120 HB VAL 120 12.726 1.375 -0.814 877 1HG1 VAL 120 1HG1 VAL 120 12.060 2.808 1.350 878 2HG1 VAL 120 2HG1 VAL 120 12.853 4.065 0.401 879 3HG1 VAL 120 3HG1 VAL 120 11.482 3.185 -0.272 880 1HG2 VAL 120 1HG2 VAL 120 15.326 2.522 -0.767 881 2HG2 VAL 120 2HG2 VAL 120 14.229 2.338 -2.135 882 3HG2 VAL 120 3HG2 VAL 120 14.169 3.797 -1.147 883 H GLN 121 H GLN 121 16.443 1.445 0.243 884 HA GLN 121 HA GLN 121 16.694 -0.734 -1.495 885 1HB GLN 121 1HB GLN 121 18.409 1.249 -0.367 886 2HB GLN 121 2HB GLN 121 19.180 -0.317 -0.157 887 1HG GLN 121 1HG GLN 121 18.526 -0.611 -2.684 888 2HG GLN 121 2HG GLN 121 18.511 1.152 -2.651 889 2HE2 GLN 121 2HE2 GLN 121 20.480 -1.698 -2.102 890 1HE2 GLN 121 1HE2 GLN 121 22.006 -0.919 -2.320 891 H ALA 122 H ALA 122 16.661 -0.500 1.939 892 HA ALA 122 HA ALA 122 17.705 -3.188 2.329 893 1HB ALA 122 1HB ALA 122 17.101 -0.875 4.080 894 2HB ALA 122 2HB ALA 122 16.961 -2.482 4.791 895 3HB ALA 122 3HB ALA 122 18.488 -1.964 4.076 896 H TRP 123 H TRP 123 14.699 -1.559 1.950 897 HA TRP 123 HA TRP 123 13.020 -3.299 3.418 898 1HB TRP 123 1HB TRP 123 12.630 -1.303 1.249 899 2HB TRP 123 2HB TRP 123 11.343 -2.476 1.502 900 HD1 TRP 123 HD1 TRP 123 11.589 0.836 2.230 901 HE1 TRP 123 HE1 TRP 123 10.686 1.525 4.540 902 HE3 TRP 123 HE3 TRP 123 11.610 -3.709 4.539 903 HZ2 TRP 123 HZ2 TRP 123 10.077 0.271 6.983 904 HZ3 TRP 123 HZ3 TRP 123 10.854 -3.886 6.854 905 HH2 TRP 123 HH2 TRP 123 10.095 -1.914 8.063 906 H ILE 124 H ILE 124 14.723 -3.721 0.485 907 HA ILE 124 HA ILE 124 13.255 -6.228 -0.003 908 HB ILE 124 HB ILE 124 13.886 -5.939 -2.435 909 1HG1 ILE 124 1HG1 ILE 124 13.891 -3.030 -2.240 910 2HG1 ILE 124 2HG1 ILE 124 15.296 -3.752 -1.462 911 1HG2 ILE 124 1HG2 ILE 124 11.809 -4.476 -0.937 912 2HG2 ILE 124 2HG2 ILE 124 12.047 -3.995 -2.616 913 3HG2 ILE 124 3HG2 ILE 124 11.654 -5.670 -2.226 914 1HD1 ILE 124 1HD1 ILE 124 14.761 -4.933 -4.049 915 2HD1 ILE 124 2HD1 ILE 124 15.005 -3.189 -4.143 916 3HD1 ILE 124 3HD1 ILE 124 16.241 -4.214 -3.414 917 H ARG 125 H ARG 125 15.919 -5.240 1.294 918 HA ARG 125 HA ARG 125 18.019 -6.410 -0.199 919 1HB ARG 125 1HB ARG 125 18.222 -4.729 1.697 920 2HB ARG 125 2HB ARG 125 17.968 -6.076 2.798 921 1HG ARG 125 1HG ARG 125 19.964 -7.169 1.970 922 2HG ARG 125 2HG ARG 125 20.201 -5.881 0.787 923 1HD ARG 125 1HD ARG 125 21.635 -5.247 2.483 924 2HD ARG 125 2HD ARG 125 20.183 -4.324 2.866 925 HE ARG 125 HE ARG 125 20.351 -6.890 4.171 926 1HH1 ARG 125 1HH1 ARG 125 21.127 -3.498 4.352 927 2HH1 ARG 125 2HH1 ARG 125 21.254 -3.488 6.080 928 1HH2 ARG 125 1HH2 ARG 125 20.515 -6.885 6.445 929 2HH2 ARG 125 2HH2 ARG 125 20.907 -5.413 7.269 930 H GLY 126 H GLY 126 17.438 -8.478 -0.853 931 1HA GLY 126 1HA GLY 126 17.240 -10.467 1.325 932 2HA GLY 126 2HA GLY 126 18.175 -10.742 -0.137 933 H CYS 127 H CYS 127 15.496 -9.075 -1.064 934 HA CYS 127 HA CYS 127 13.471 -11.003 -1.019 935 1HB CYS 127 1HB CYS 127 13.952 -8.490 -2.404 936 2HB CYS 127 2HB CYS 127 12.749 -9.541 -3.124 937 H ARG 128 H ARG 128 12.475 -11.414 -3.460 938 HA ARG 128 HA ARG 128 14.609 -12.789 -4.953 939 1HB ARG 128 1HB ARG 128 11.916 -13.818 -4.104 940 2HB ARG 128 2HB ARG 128 12.742 -14.494 -5.500 941 1HG ARG 128 1HG ARG 128 13.890 -15.822 -4.158 942 2HG ARG 128 2HG ARG 128 14.614 -14.408 -3.389 943 1HD ARG 128 1HD ARG 128 13.480 -14.808 -1.523 944 2HD ARG 128 2HD ARG 128 11.956 -14.735 -2.408 945 HE ARG 128 HE ARG 128 13.520 -17.160 -1.858 946 1HH1 ARG 128 1HH1 ARG 128 10.590 -15.621 -2.949 947 2HH1 ARG 128 2HH1 ARG 128 9.671 -17.089 -2.958 948 1HH2 ARG 128 1HH2 ARG 128 12.317 -19.097 -1.867 949 2HH2 ARG 128 2HH2 ARG 128 10.652 -19.064 -2.342 950 H LEU 129 H LEU 129 14.564 -10.798 -6.232 951 HA LEU 129 HA LEU 129 12.328 -10.788 -8.153 952 1HB LEU 129 1HB LEU 129 14.003 -8.361 -7.862 953 2HB LEU 129 2HB LEU 129 12.292 -8.509 -8.215 954 HG LEU 129 HG LEU 129 13.418 -9.051 -5.476 955 1HD1 LEU 129 1HD1 LEU 129 13.901 -6.712 -6.355 956 2HD1 LEU 129 2HD1 LEU 129 12.155 -6.465 -6.328 957 3HD1 LEU 129 3HD1 LEU 129 13.017 -6.831 -4.834 958 1HD2 LEU 129 1HD2 LEU 129 11.040 -9.754 -6.401 959 2HD2 LEU 129 2HD2 LEU 129 11.257 -9.155 -4.758 960 3HD2 LEU 129 3HD2 LEU 129 10.667 -8.073 -6.019 No H/Q in entry = 960 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -6.879 -9.513 2.597 2 H2 LYS 1 H2 LYS 1 -7.804 -10.272 1.403 3 H3 LYS 1 H3 LYS 1 -7.499 -11.062 2.868 4 HA LYS 1 HA LYS 1 -5.443 -11.706 2.293 5 1HB LYS 1 1HB LYS 1 -7.264 -12.130 0.396 6 2HB LYS 1 2HB LYS 1 -6.167 -11.126 -0.541 7 1HG LYS 1 1HG LYS 1 -4.434 -12.883 0.586 8 2HG LYS 1 2HG LYS 1 -5.870 -13.887 0.387 9 1HD LYS 1 1HD LYS 1 -5.037 -14.201 -1.688 10 2HD LYS 1 2HD LYS 1 -5.815 -12.649 -2.009 11 1HE LYS 1 1HE LYS 1 -3.580 -12.555 -2.859 12 2HE LYS 1 2HE LYS 1 -3.669 -11.528 -1.429 13 1HZ LYS 1 1HZ LYS 1 -2.933 -13.937 -0.426 14 2HZ LYS 1 2HZ LYS 1 -2.093 -13.880 -1.893 15 3HZ LYS 1 3HZ LYS 1 -1.886 -12.649 -0.750 16 H VAL 2 H VAL 2 -3.710 -10.510 2.803 17 HA VAL 2 HA VAL 2 -3.106 -8.100 1.244 18 HB VAL 2 HB VAL 2 -2.071 -9.115 3.893 19 1HG1 VAL 2 1HG1 VAL 2 -0.478 -7.783 2.148 20 2HG1 VAL 2 2HG1 VAL 2 -1.226 -6.442 3.012 21 3HG1 VAL 2 3HG1 VAL 2 -0.336 -7.676 3.901 22 1HG2 VAL 2 1HG2 VAL 2 -4.126 -7.262 3.065 23 2HG2 VAL 2 2HG2 VAL 2 -3.787 -7.928 4.663 24 3HG2 VAL 2 3HG2 VAL 2 -2.938 -6.484 4.110 25 H PHE 3 H PHE 3 -1.072 -7.801 0.244 26 HA PHE 3 HA PHE 3 0.163 -10.177 -0.767 27 1HB PHE 3 1HB PHE 3 0.763 -7.231 -1.078 28 2HB PHE 3 2HB PHE 3 1.762 -8.479 -1.805 29 HD1 PHE 3 HD1 PHE 3 0.001 -10.368 -2.945 30 HD2 PHE 3 HD2 PHE 3 -0.478 -6.155 -2.637 31 HE1 PHE 3 HE1 PHE 3 -1.462 -10.394 -4.918 32 HE2 PHE 3 HE2 PHE 3 -1.938 -6.169 -4.606 33 HZ PHE 3 HZ PHE 3 -2.436 -8.292 -5.755 34 H GLY 4 H GLY 4 2.515 -10.504 -0.647 35 1HA GLY 4 1HA GLY 4 4.212 -11.149 0.822 36 2HA GLY 4 2HA GLY 4 3.440 -10.201 2.088 37 H ARG 5 H ARG 5 6.248 -10.205 1.441 38 HA ARG 5 HA ARG 5 6.549 -7.346 0.969 39 1HB ARG 5 1HB ARG 5 8.426 -9.470 1.998 40 2HB ARG 5 2HB ARG 5 8.967 -7.840 1.621 41 1HG ARG 5 1HG ARG 5 8.055 -6.971 3.477 42 2HG ARG 5 2HG ARG 5 6.618 -7.988 3.374 43 1HD ARG 5 1HD ARG 5 9.076 -9.451 3.987 44 2HD ARG 5 2HD ARG 5 8.626 -8.264 5.210 45 HE ARG 5 HE ARG 5 6.440 -9.413 5.308 46 1HH1 ARG 5 1HH1 ARG 5 9.199 -11.102 4.015 47 2HH1 ARG 5 2HH1 ARG 5 8.568 -12.675 4.377 48 1HH2 ARG 5 1HH2 ARG 5 5.602 -11.478 5.788 49 2HH2 ARG 5 2HH2 ARG 5 6.523 -12.888 5.383 50 H CYS 6 H CYS 6 8.170 -10.313 -0.184 51 HA CYS 6 HA CYS 6 9.171 -8.845 -2.460 52 1HB CYS 6 1HB CYS 6 9.401 -11.815 -2.134 53 2HB CYS 6 2HB CYS 6 10.467 -10.693 -2.973 54 H GLU 7 H GLU 7 6.705 -11.286 -1.803 55 HA GLU 7 HA GLU 7 6.056 -12.118 -4.340 56 1HB GLU 7 1HB GLU 7 4.341 -11.499 -1.948 57 2HB GLU 7 2HB GLU 7 3.602 -12.006 -3.461 58 1HG GLU 7 1HG GLU 7 4.738 -14.098 -3.401 59 2HG GLU 7 2HG GLU 7 5.729 -13.582 -2.038 60 H LEU 8 H LEU 8 4.899 -9.230 -2.674 61 HA LEU 8 HA LEU 8 3.506 -8.116 -4.853 62 1HB LEU 8 1HB LEU 8 3.135 -7.459 -2.512 63 2HB LEU 8 2HB LEU 8 4.742 -6.766 -2.448 64 HG LEU 8 HG LEU 8 2.658 -5.231 -2.773 65 1HD1 LEU 8 1HD1 LEU 8 5.020 -4.522 -2.792 66 2HD1 LEU 8 2HD1 LEU 8 5.086 -4.873 -4.519 67 3HD1 LEU 8 3HD1 LEU 8 4.016 -3.607 -3.917 68 1HD2 LEU 8 1HD2 LEU 8 1.870 -6.583 -4.755 69 2HD2 LEU 8 2HD2 LEU 8 1.952 -4.838 -4.991 70 3HD2 LEU 8 3HD2 LEU 8 3.211 -5.877 -5.656 71 H ALA 9 H ALA 9 6.850 -7.728 -3.677 72 HA ALA 9 HA ALA 9 7.567 -5.639 -5.428 73 1HB ALA 9 1HB ALA 9 9.109 -7.634 -3.852 74 2HB ALA 9 2HB ALA 9 9.075 -5.875 -3.731 75 3HB ALA 9 3HB ALA 9 9.940 -6.650 -5.057 76 H ALA 10 H ALA 10 8.125 -9.156 -5.762 77 HA ALA 10 HA ALA 10 9.392 -9.166 -8.200 78 1HB ALA 10 1HB ALA 10 9.187 -11.389 -8.037 79 2HB ALA 10 2HB ALA 10 7.426 -11.303 -7.987 80 3HB ALA 10 3HB ALA 10 8.361 -11.089 -6.508 81 H ALA 11 H ALA 11 5.968 -8.863 -7.437 82 HA ALA 11 HA ALA 11 5.035 -9.030 -10.088 83 1HB ALA 11 1HB ALA 11 3.718 -7.561 -7.826 84 2HB ALA 11 2HB ALA 11 3.608 -9.306 -8.062 85 3HB ALA 11 3HB ALA 11 2.941 -8.209 -9.271 86 H MET 12 H MET 12 6.192 -6.489 -8.119 87 HA MET 12 HA MET 12 5.474 -4.285 -9.739 88 1HB MET 12 1HB MET 12 8.004 -4.343 -8.130 89 2HB MET 12 2HB MET 12 6.956 -2.984 -8.451 90 1HG MET 12 1HG MET 12 6.162 -5.321 -6.756 91 2HG MET 12 2HG MET 12 6.872 -3.839 -6.123 92 1HE MET 12 1HE MET 12 5.924 -1.844 -8.002 93 2HE MET 12 2HE MET 12 4.221 -1.398 -7.906 94 3HE MET 12 3HE MET 12 5.256 -1.233 -6.490 95 H LYS 13 H LYS 13 8.493 -6.145 -9.528 96 HA LYS 13 HA LYS 13 9.992 -4.832 -11.436 97 1HB LYS 13 1HB LYS 13 10.752 -6.710 -9.936 98 2HB LYS 13 2HB LYS 13 9.967 -7.828 -11.043 99 1HG LYS 13 1HG LYS 13 12.083 -7.915 -11.860 100 2HG LYS 13 2HG LYS 13 11.466 -6.565 -12.815 101 1HD LYS 13 1HD LYS 13 12.701 -5.018 -11.679 102 2HD LYS 13 2HD LYS 13 12.678 -5.945 -10.177 103 1HE LYS 13 1HE LYS 13 14.202 -6.893 -12.583 104 2HE LYS 13 2HE LYS 13 14.903 -5.742 -11.447 105 1HZ LYS 13 1HZ LYS 13 13.750 -8.292 -10.508 106 2HZ LYS 13 2HZ LYS 13 15.340 -8.215 -11.077 107 3HZ LYS 13 3HZ LYS 13 14.874 -7.293 -9.738 108 H ARG 14 H ARG 14 7.781 -7.572 -11.904 109 HA ARG 14 HA ARG 14 8.075 -7.720 -14.699 110 1HB ARG 14 1HB ARG 14 6.409 -8.935 -12.661 111 2HB ARG 14 2HB ARG 14 5.478 -8.582 -14.110 112 1HG ARG 14 1HG ARG 14 7.017 -9.866 -15.458 113 2HG ARG 14 2HG ARG 14 8.049 -10.148 -14.054 114 1HD ARG 14 1HD ARG 14 6.279 -11.402 -12.970 115 2HD ARG 14 2HD ARG 14 5.184 -11.057 -14.308 116 HE ARG 14 HE ARG 14 7.079 -12.304 -15.624 117 1HH1 ARG 14 1HH1 ARG 14 5.765 -13.074 -12.489 118 2HH1 ARG 14 2HH1 ARG 14 6.065 -14.774 -12.639 119 1HH2 ARG 14 1HH2 ARG 14 7.477 -14.540 -15.829 120 2HH2 ARG 14 2HH2 ARG 14 7.039 -15.606 -14.537 121 H HIS 15 H HIS 15 5.945 -5.855 -12.597 122 HA HIS 15 HA HIS 15 4.318 -4.873 -14.711 123 1HB HIS 15 1HB HIS 15 4.624 -4.297 -11.794 124 2HB HIS 15 2HB HIS 15 3.717 -3.169 -12.799 125 HD1 HIS 15 HD1 HIS 15 1.498 -3.756 -11.621 126 HD2 HIS 15 HD2 HIS 15 3.335 -6.992 -13.469 127 HE1 HIS 15 HE1 HIS 15 -0.232 -5.579 -11.657 128 HE2 HIS 15 HE2 HIS 15 0.931 -7.555 -12.703 129 H GLY 16 H GLY 16 7.507 -4.159 -13.974 130 1HA GLY 16 1HA GLY 16 7.449 -1.908 -15.692 131 2HA GLY 16 2HA GLY 16 8.853 -2.596 -14.908 132 H LEU 17 H LEU 17 7.464 -2.128 -12.155 133 HA LEU 17 HA LEU 17 7.480 0.771 -12.162 134 1HB LEU 17 1HB LEU 17 7.215 -0.917 -9.707 135 2HB LEU 17 2HB LEU 17 6.632 0.710 -9.976 136 HG LEU 17 HG LEU 17 5.386 -1.877 -10.612 137 1HD1 LEU 17 1HD1 LEU 17 4.795 0.256 -9.034 138 2HD1 LEU 17 2HD1 LEU 17 3.806 0.591 -10.454 139 3HD1 LEU 17 3HD1 LEU 17 3.619 -0.934 -9.590 140 1HD2 LEU 17 1HD2 LEU 17 5.495 0.350 -12.588 141 2HD2 LEU 17 2HD2 LEU 17 5.406 -1.392 -12.852 142 3HD2 LEU 17 3HD2 LEU 17 3.965 -0.498 -12.366 143 H ASP 18 H ASP 18 9.723 -1.563 -11.973 144 HA ASP 18 HA ASP 18 11.411 -0.511 -9.930 145 1HB ASP 18 1HB ASP 18 11.974 -2.694 -10.298 146 2HB ASP 18 2HB ASP 18 11.672 -2.602 -12.022 147 H ASN 19 H ASN 19 11.789 1.586 -10.194 148 HA ASN 19 HA ASN 19 12.796 3.493 -10.873 149 1HB ASN 19 1HB ASN 19 14.688 1.645 -11.246 150 2HB ASN 19 2HB ASN 19 14.449 2.103 -12.929 151 2HD2 ASN 19 2HD2 ASN 19 14.749 3.686 -9.764 152 1HD2 ASN 19 1HD2 ASN 19 15.828 4.924 -10.299 153 H TYR 20 H TYR 20 10.418 2.650 -12.114 154 HA TYR 20 HA TYR 20 10.505 3.160 -14.918 155 1HB TYR 20 1HB TYR 20 8.597 2.021 -13.747 156 2HB TYR 20 2HB TYR 20 8.179 3.563 -13.010 157 HD1 TYR 20 HD1 TYR 20 8.693 2.000 -16.362 158 HD2 TYR 20 HD2 TYR 20 6.640 4.937 -14.068 159 HE1 TYR 20 HE1 TYR 20 7.302 2.545 -18.315 160 HE2 TYR 20 HE2 TYR 20 5.243 5.490 -16.014 161 HH TYR 20 HH TYR 20 5.935 4.290 -19.173 162 H ARG 21 H ARG 21 9.329 5.198 -15.812 163 HA ARG 21 HA ARG 21 10.657 7.425 -15.678 164 1HB ARG 21 1HB ARG 21 7.836 6.895 -16.075 165 2HB ARG 21 2HB ARG 21 8.086 8.489 -15.376 166 1HG ARG 21 1HG ARG 21 9.683 8.988 -17.202 167 2HG ARG 21 2HG ARG 21 9.282 7.430 -17.927 168 1HD ARG 21 1HD ARG 21 7.316 8.169 -18.722 169 2HD ARG 21 2HD ARG 21 6.957 9.081 -17.256 170 HE ARG 21 HE ARG 21 8.931 10.511 -18.486 171 1HH1 ARG 21 1HH1 ARG 21 5.782 9.350 -19.424 172 2HH1 ARG 21 2HH1 ARG 21 5.485 10.658 -20.519 173 1HH2 ARG 21 1HH2 ARG 21 8.548 12.236 -19.927 174 2HH2 ARG 21 2HH2 ARG 21 7.057 12.297 -20.807 175 H GLY 22 H GLY 22 8.448 6.420 -13.149 176 1HA GLY 22 1HA GLY 22 8.007 7.290 -11.056 177 2HA GLY 22 2HA GLY 22 8.905 8.732 -11.501 178 H TYR 23 H TYR 23 8.980 5.741 -9.824 179 HA TYR 23 HA TYR 23 11.842 6.125 -9.286 180 1HB TYR 23 1HB TYR 23 9.584 5.940 -7.343 181 2HB TYR 23 2HB TYR 23 11.183 5.377 -6.870 182 HD1 TYR 23 HD1 TYR 23 9.516 8.348 -8.400 183 HD2 TYR 23 HD2 TYR 23 12.655 6.898 -5.922 184 HE1 TYR 23 HE1 TYR 23 10.156 10.660 -7.872 185 HE2 TYR 23 HE2 TYR 23 13.305 9.208 -5.385 186 HH TYR 23 HH TYR 23 13.082 11.466 -6.394 187 H SER 24 H SER 24 12.582 4.301 -7.678 188 HA SER 24 HA SER 24 12.384 1.877 -9.216 189 1HB SER 24 1HB SER 24 14.270 1.113 -7.937 190 2HB SER 24 2HB SER 24 14.558 2.793 -8.389 191 HG SER 24 HG SER 24 14.748 3.185 -6.346 192 H LEU 25 H LEU 25 12.326 -0.211 -8.106 193 HA LEU 25 HA LEU 25 9.957 -0.878 -7.043 194 1HB LEU 25 1HB LEU 25 12.625 -2.044 -7.103 195 2HB LEU 25 2HB LEU 25 11.666 -2.619 -5.753 196 HG LEU 25 HG LEU 25 10.381 -2.615 -8.417 197 1HD1 LEU 25 1HD1 LEU 25 12.874 -3.556 -8.418 198 2HD1 LEU 25 2HD1 LEU 25 12.046 -4.978 -7.784 199 3HD1 LEU 25 3HD1 LEU 25 11.575 -4.305 -9.345 200 1HD2 LEU 25 1HD2 LEU 25 10.399 -4.441 -6.021 201 2HD2 LEU 25 2HD2 LEU 25 9.106 -3.357 -6.535 202 3HD2 LEU 25 3HD2 LEU 25 9.510 -4.772 -7.508 203 H GLY 26 H GLY 26 12.854 -0.319 -5.020 204 1HA GLY 26 1HA GLY 26 13.033 0.583 -2.908 205 2HA GLY 26 2HA GLY 26 11.878 -0.682 -2.530 206 H ASN 27 H ASN 27 11.268 2.189 -4.504 207 HA ASN 27 HA ASN 27 10.004 3.646 -2.403 208 1HB ASN 27 1HB ASN 27 9.739 4.047 -5.386 209 2HB ASN 27 2HB ASN 27 9.334 5.216 -4.133 210 2HD2 ASN 27 2HD2 ASN 27 11.900 3.612 -5.838 211 1HD2 ASN 27 1HD2 ASN 27 13.172 4.662 -5.322 212 H TRP 28 H TRP 28 8.866 1.490 -4.926 213 HA TRP 28 HA TRP 28 6.090 1.995 -4.577 214 1HB TRP 28 1HB TRP 28 7.536 -0.370 -5.763 215 2HB TRP 28 2HB TRP 28 5.797 -0.095 -5.867 216 HD1 TRP 28 HD1 TRP 28 9.042 0.872 -7.452 217 HE1 TRP 28 HE1 TRP 28 8.623 2.558 -9.341 218 HE3 TRP 28 HE3 TRP 28 4.122 1.866 -6.550 219 HZ2 TRP 28 HZ2 TRP 28 6.472 4.098 -10.347 220 HZ3 TRP 28 HZ3 TRP 28 2.934 3.443 -8.013 221 HH2 TRP 28 HH2 TRP 28 4.091 4.542 -9.880 222 H VAL 29 H VAL 29 8.257 -0.558 -3.371 223 HA VAL 29 HA VAL 29 6.279 -1.969 -1.957 224 HB VAL 29 HB VAL 29 9.254 -1.813 -1.444 225 1HG1 VAL 29 1HG1 VAL 29 7.877 -2.704 0.447 226 2HG1 VAL 29 2HG1 VAL 29 7.353 -4.001 -0.627 227 3HG1 VAL 29 3HG1 VAL 29 9.058 -3.838 -0.207 228 1HG2 VAL 29 1HG2 VAL 29 7.628 -3.201 -3.455 229 2HG2 VAL 29 2HG2 VAL 29 9.333 -2.754 -3.481 230 3HG2 VAL 29 3HG2 VAL 29 8.816 -4.212 -2.634 231 H CYS 30 H CYS 30 8.639 0.450 -0.932 232 HA CYS 30 HA CYS 30 7.975 0.529 1.770 233 1HB CYS 30 1HB CYS 30 9.935 1.605 0.464 234 2HB CYS 30 2HB CYS 30 8.841 2.964 0.242 235 H ALA 31 H ALA 31 6.739 2.513 -0.925 236 HA ALA 31 HA ALA 31 5.034 4.114 0.647 237 1HB ALA 31 1HB ALA 31 5.849 4.577 -1.698 238 2HB ALA 31 2HB ALA 31 4.150 4.930 -1.380 239 3HB ALA 31 3HB ALA 31 4.597 3.464 -2.254 240 H ALA 32 H ALA 32 4.389 1.180 -1.255 241 HA ALA 32 HA ALA 32 1.613 1.108 -0.707 242 1HB ALA 32 1HB ALA 32 2.422 -0.075 -2.604 243 2HB ALA 32 2HB ALA 32 1.791 -1.272 -1.473 244 3HB ALA 32 3HB ALA 32 3.532 -1.026 -1.615 245 H LYS 33 H LYS 33 4.365 -0.615 0.735 246 HA LYS 33 HA LYS 33 3.092 -2.267 2.497 247 1HB LYS 33 1HB LYS 33 5.570 -2.086 2.086 248 2HB LYS 33 2HB LYS 33 5.582 -0.707 3.176 249 1HG LYS 33 1HG LYS 33 4.995 -2.038 5.030 250 2HG LYS 33 2HG LYS 33 4.559 -3.405 4.002 251 1HD LYS 33 1HD LYS 33 6.932 -3.564 3.294 252 2HD LYS 33 2HD LYS 33 7.325 -2.284 4.443 253 1HE LYS 33 1HE LYS 33 6.966 -3.630 6.273 254 2HE LYS 33 2HE LYS 33 5.854 -4.690 5.408 255 1HZ LYS 33 1HZ LYS 33 8.107 -5.133 4.065 256 2HZ LYS 33 2HZ LYS 33 8.748 -4.797 5.596 257 3HZ LYS 33 3HZ LYS 33 7.627 -6.049 5.403 258 H PHE 34 H PHE 34 4.185 1.049 3.239 259 HA PHE 34 HA PHE 34 2.805 0.999 5.731 260 1HB PHE 34 1HB PHE 34 4.542 2.867 4.346 261 2HB PHE 34 2HB PHE 34 3.438 3.582 5.502 262 HD1 PHE 34 HD1 PHE 34 3.409 2.445 7.851 263 HD2 PHE 34 HD2 PHE 34 6.586 2.073 5.044 264 HE1 PHE 34 HE1 PHE 34 4.942 1.823 9.673 265 HE2 PHE 34 HE2 PHE 34 8.124 1.449 6.860 266 HZ PHE 34 HZ PHE 34 7.302 1.324 9.179 267 H GLU 35 H GLU 35 1.828 1.763 2.568 268 HA GLU 35 HA GLU 35 -0.115 3.729 3.244 269 1HB GLU 35 1HB GLU 35 0.913 2.477 0.888 270 2HB GLU 35 2HB GLU 35 -0.841 2.370 0.860 271 1HG GLU 35 1HG GLU 35 0.911 4.784 0.827 272 2HG GLU 35 2HG GLU 35 -0.445 4.366 -0.219 273 H SER 36 H SER 36 -0.365 0.307 2.326 274 HA SER 36 HA SER 36 -2.915 0.170 3.805 275 1HB SER 36 1HB SER 36 -3.691 -1.413 1.977 276 2HB SER 36 2HB SER 36 -3.522 0.273 1.491 277 HG SER 36 HG SER 36 -1.759 -1.879 0.972 278 H ASN 37 H ASN 37 0.084 -0.862 3.983 279 HA ASN 37 HA ASN 37 1.142 -2.682 4.876 280 1HB ASN 37 1HB ASN 37 -1.377 -2.513 6.190 281 2HB ASN 37 2HB ASN 37 -1.066 -4.216 5.869 282 2HD2 ASN 37 2HD2 ASN 37 0.535 -5.259 6.956 283 1HD2 ASN 37 1HD2 ASN 37 1.436 -4.546 8.246 284 H PHE 38 H PHE 38 0.042 -2.680 2.194 285 HA PHE 38 HA PHE 38 0.027 -3.951 0.370 286 1HB PHE 38 1HB PHE 38 0.962 -6.070 2.302 287 2HB PHE 38 2HB PHE 38 0.781 -6.353 0.574 288 HD1 PHE 38 HD1 PHE 38 1.721 -3.750 -0.487 289 HD2 PHE 38 HD2 PHE 38 3.275 -6.211 2.615 290 HE1 PHE 38 HE1 PHE 38 3.958 -2.818 -0.884 291 HE2 PHE 38 HE2 PHE 38 5.520 -5.280 2.226 292 HZ PHE 38 HZ PHE 38 5.865 -3.588 0.473 293 H ASN 39 H ASN 39 -2.334 -3.625 2.150 294 HA ASN 39 HA ASN 39 -3.842 -6.059 1.821 295 1HB ASN 39 1HB ASN 39 -4.234 -4.508 3.725 296 2HB ASN 39 2HB ASN 39 -4.814 -3.296 2.586 297 2HD2 ASN 39 2HD2 ASN 39 -6.665 -3.559 4.159 298 1HD2 ASN 39 1HD2 ASN 39 -7.882 -4.710 3.733 299 H THR 40 H THR 40 -4.424 -6.648 -0.145 300 HA THR 40 HA THR 40 -4.672 -4.882 -2.344 301 HB THR 40 HB THR 40 -4.997 -6.754 -3.631 302 HG1 THR 40 HG1 THR 40 -6.439 -8.324 -3.149 303 1HG2 THR 40 1HG2 THR 40 -3.018 -7.193 -2.259 304 2HG2 THR 40 2HG2 THR 40 -4.028 -8.004 -1.063 305 3HG2 THR 40 3HG2 THR 40 -3.852 -8.689 -2.678 306 H GLN 41 H GLN 41 -6.798 -6.173 0.020 307 HA GLN 41 HA GLN 41 -9.196 -5.214 -1.311 308 1HB GLN 41 1HB GLN 41 -8.532 -7.033 0.926 309 2HB GLN 41 2HB GLN 41 -10.047 -6.173 1.045 310 1HG GLN 41 1HG GLN 41 -9.646 -7.352 -1.573 311 2HG GLN 41 2HG GLN 41 -9.610 -8.544 -0.275 312 2HE2 GLN 41 2HE2 GLN 41 -11.520 -9.517 -0.387 313 1HE2 GLN 41 1HE2 GLN 41 -13.053 -8.722 -0.361 314 H ALA 42 H ALA 42 -6.882 -3.704 0.289 315 HA ALA 42 HA ALA 42 -8.094 -2.400 2.448 316 1HB ALA 42 1HB ALA 42 -5.835 -2.115 2.477 317 2HB ALA 42 2HB ALA 42 -6.320 -0.570 1.780 318 3HB ALA 42 3HB ALA 42 -5.731 -1.863 0.735 319 H THR 43 H THR 43 -9.798 -1.134 2.459 320 HA THR 43 HA THR 43 -10.106 0.918 0.380 321 HB THR 43 HB THR 43 -12.463 0.537 0.176 322 HG1 THR 43 HG1 THR 43 -12.054 -1.158 2.385 323 1HG2 THR 43 1HG2 THR 43 -10.725 -1.085 -0.949 324 2HG2 THR 43 2HG2 THR 43 -11.490 -2.283 0.094 325 3HG2 THR 43 3HG2 THR 43 -12.457 -1.393 -1.081 326 H ASN 44 H ASN 44 -10.217 2.879 1.397 327 HA ASN 44 HA ASN 44 -11.539 3.009 4.011 328 1HB ASN 44 1HB ASN 44 -9.096 2.802 4.391 329 2HB ASN 44 2HB ASN 44 -8.848 4.263 3.440 330 2HD2 ASN 44 2HD2 ASN 44 -10.759 3.105 6.194 331 1HD2 ASN 44 1HD2 ASN 44 -10.592 4.544 7.134 332 H ARG 45 H ARG 45 -13.069 4.480 3.938 333 HA ARG 45 HA ARG 45 -13.131 6.492 1.875 334 1HB ARG 45 1HB ARG 45 -15.133 5.199 2.829 335 2HB ARG 45 2HB ARG 45 -15.034 6.296 4.200 336 1HG ARG 45 1HG ARG 45 -16.035 7.936 3.082 337 2HG ARG 45 2HG ARG 45 -15.014 7.702 1.662 338 1HD ARG 45 1HD ARG 45 -17.039 7.137 0.774 339 2HD ARG 45 2HD ARG 45 -16.527 5.558 1.367 340 HE ARG 45 HE ARG 45 -17.900 6.642 3.454 341 1HH1 ARG 45 1HH1 ARG 45 -18.625 6.039 0.099 342 2HH1 ARG 45 2HH1 ARG 45 -20.319 5.802 0.375 343 1HH2 ARG 45 1HH2 ARG 45 -20.128 6.333 3.826 344 2HH2 ARG 45 2HH2 ARG 45 -21.173 5.970 2.493 345 H ASN 46 H ASN 46 -13.126 8.726 2.162 346 HA ASN 46 HA ASN 46 -11.854 9.633 4.658 347 1HB ASN 46 1HB ASN 46 -11.760 11.137 2.056 348 2HB ASN 46 2HB ASN 46 -10.685 11.275 3.443 349 2HD2 ASN 46 2HD2 ASN 46 -9.302 9.425 3.906 350 1HD2 ASN 46 1HD2 ASN 46 -8.713 8.475 2.589 351 H THR 47 H THR 47 -12.196 12.146 4.864 352 HA THR 47 HA THR 47 -15.050 12.495 5.196 353 HB THR 47 HB THR 47 -14.433 14.613 6.336 354 HG1 THR 47 HG1 THR 47 -12.464 15.379 6.158 355 1HG2 THR 47 1HG2 THR 47 -14.556 12.457 7.559 356 2HG2 THR 47 2HG2 THR 47 -12.823 12.249 7.303 357 3HG2 THR 47 3HG2 THR 47 -13.415 13.595 8.277 358 H ASP 48 H ASP 48 -12.530 13.625 3.082 359 HA ASP 48 HA ASP 48 -13.867 15.924 2.091 360 1HB ASP 48 1HB ASP 48 -12.246 15.676 0.162 361 2HB ASP 48 2HB ASP 48 -11.519 15.813 1.758 362 H GLY 49 H GLY 49 -14.422 12.620 1.665 363 1HA GLY 49 1HA GLY 49 -16.129 13.203 -0.675 364 2HA GLY 49 2HA GLY 49 -16.529 12.032 0.571 365 H SER 50 H SER 50 -13.282 12.259 -0.674 366 HA SER 50 HA SER 50 -13.633 10.229 -2.669 367 1HB SER 50 1HB SER 50 -10.972 10.272 -2.395 368 2HB SER 50 2HB SER 50 -11.846 11.518 -3.285 369 HG SER 50 HG SER 50 -11.527 12.913 -1.684 370 H THR 51 H THR 51 -11.661 8.470 -2.463 371 HA THR 51 HA THR 51 -11.494 7.265 0.145 372 HB THR 51 HB THR 51 -13.014 5.767 -1.996 373 HG1 THR 51 HG1 THR 51 -14.440 6.203 0.233 374 1HG2 THR 51 1HG2 THR 51 -11.613 4.875 0.278 375 2HG2 THR 51 2HG2 THR 51 -13.329 4.763 0.669 376 3HG2 THR 51 3HG2 THR 51 -12.695 3.945 -0.759 377 H ASP 52 H ASP 52 -10.081 5.373 0.161 378 HA ASP 52 HA ASP 52 -8.329 5.273 -2.204 379 1HB ASP 52 1HB ASP 52 -7.738 4.702 0.708 380 2HB ASP 52 2HB ASP 52 -6.595 4.454 -0.609 381 H TYR 53 H TYR 53 -9.179 3.658 -3.391 382 HA TYR 53 HA TYR 53 -9.754 1.132 -2.036 383 1HB TYR 53 1HB TYR 53 -10.479 2.055 -4.818 384 2HB TYR 53 2HB TYR 53 -10.867 0.478 -4.141 385 HD1 TYR 53 HD1 TYR 53 -12.234 0.516 -1.907 386 HD2 TYR 53 HD2 TYR 53 -12.036 3.760 -4.651 387 HE1 TYR 53 HE1 TYR 53 -14.345 1.398 -1.005 388 HE2 TYR 53 HE2 TYR 53 -14.144 4.654 -3.755 389 HH TYR 53 HH TYR 53 -15.461 4.519 -1.662 390 H GLY 54 H GLY 54 -7.463 0.699 -1.803 391 1HA GLY 54 1HA GLY 54 -5.962 0.169 -4.231 392 2HA GLY 54 2HA GLY 54 -6.535 -1.284 -3.445 393 H ILE 55 H ILE 55 -4.219 -1.694 -3.567 394 HA ILE 55 HA ILE 55 -2.994 -1.396 -1.009 395 HB ILE 55 HB ILE 55 -2.608 -3.355 -2.556 396 1HG1 ILE 55 1HG1 ILE 55 -0.134 -1.821 -1.716 397 2HG1 ILE 55 2HG1 ILE 55 -1.076 -2.897 -0.689 398 1HG2 ILE 55 1HG2 ILE 55 -1.830 -1.232 -4.320 399 2HG2 ILE 55 2HG2 ILE 55 -0.493 -2.364 -4.119 400 3HG2 ILE 55 3HG2 ILE 55 -2.065 -2.945 -4.670 401 1HD1 ILE 55 1HD1 ILE 55 -0.431 -4.437 -2.904 402 2HD1 ILE 55 2HD1 ILE 55 1.027 -3.507 -2.560 403 3HD1 ILE 55 3HD1 ILE 55 0.306 -4.513 -1.304 404 H LEU 56 H LEU 56 -3.104 0.385 -3.910 405 HA LEU 56 HA LEU 56 -0.905 2.126 -3.036 406 1HB LEU 56 1HB LEU 56 -1.668 1.107 -5.664 407 2HB LEU 56 2HB LEU 56 -1.541 2.853 -5.646 408 HG LEU 56 HG LEU 56 0.602 2.279 -6.276 409 1HD1 LEU 56 1HD1 LEU 56 0.385 3.348 -3.810 410 2HD1 LEU 56 2HD1 LEU 56 1.338 1.908 -3.448 411 3HD1 LEU 56 3HD1 LEU 56 1.920 3.074 -4.637 412 1HD2 LEU 56 1HD2 LEU 56 0.024 -0.201 -5.901 413 2HD2 LEU 56 2HD2 LEU 56 1.714 0.293 -5.798 414 3HD2 LEU 56 3HD2 LEU 56 0.786 0.009 -4.325 415 H GLN 57 H GLN 57 -4.094 1.802 -2.787 416 HA GLN 57 HA GLN 57 -5.780 3.180 -2.228 417 1HB GLN 57 1HB GLN 57 -3.884 5.505 -2.509 418 2HB GLN 57 2HB GLN 57 -5.339 5.409 -1.528 419 1HG GLN 57 1HG GLN 57 -2.922 3.689 -1.053 420 2HG GLN 57 2HG GLN 57 -3.158 5.261 -0.291 421 2HE2 GLN 57 2HE2 GLN 57 -4.513 5.443 1.414 422 1HE2 GLN 57 1HE2 GLN 57 -5.361 4.116 2.125 423 H ILE 58 H ILE 58 -6.581 2.520 -4.455 424 HA ILE 58 HA ILE 58 -6.287 4.520 -6.513 425 HB ILE 58 HB ILE 58 -8.249 2.233 -6.529 426 1HG1 ILE 58 1HG1 ILE 58 -6.190 1.157 -6.030 427 2HG1 ILE 58 2HG1 ILE 58 -6.405 0.990 -7.769 428 1HG2 ILE 58 1HG2 ILE 58 -8.428 3.997 -8.263 429 2HG2 ILE 58 2HG2 ILE 58 -6.789 3.602 -8.783 430 3HG2 ILE 58 3HG2 ILE 58 -8.071 2.399 -8.919 431 1HD1 ILE 58 1HD1 ILE 58 -4.949 3.158 -7.854 432 2HD1 ILE 58 2HD1 ILE 58 -4.448 2.633 -6.247 433 3HD1 ILE 58 3HD1 ILE 58 -4.198 1.577 -7.637 434 H ASN 59 H ASN 59 -7.253 6.415 -6.012 435 HA ASN 59 HA ASN 59 -9.679 6.600 -4.564 436 1HB ASN 59 1HB ASN 59 -7.989 8.398 -4.617 437 2HB ASN 59 2HB ASN 59 -8.318 8.650 -6.329 438 2HD2 ASN 59 2HD2 ASN 59 -8.627 10.853 -5.244 439 1HD2 ASN 59 1HD2 ASN 59 -10.246 11.245 -4.789 440 H SER 60 H SER 60 -11.338 5.483 -5.512 441 HA SER 60 HA SER 60 -11.886 5.451 -8.275 442 1HB SER 60 1HB SER 60 -13.782 4.222 -7.736 443 2HB SER 60 2HB SER 60 -12.761 3.929 -6.328 444 HG SER 60 HG SER 60 -13.916 5.556 -5.235 445 H ARG 61 H ARG 61 -12.237 7.962 -6.049 446 HA ARG 61 HA ARG 61 -14.430 9.205 -7.550 447 1HB ARG 61 1HB ARG 61 -14.189 9.070 -4.912 448 2HB ARG 61 2HB ARG 61 -13.190 10.496 -5.159 449 1HG ARG 61 1HG ARG 61 -15.111 11.518 -6.397 450 2HG ARG 61 2HG ARG 61 -16.088 10.142 -5.881 451 1HD ARG 61 1HD ARG 61 -15.532 10.710 -3.525 452 2HD ARG 61 2HD ARG 61 -14.707 12.154 -4.110 453 HE ARG 61 HE ARG 61 -17.598 11.655 -4.187 454 1HH1 ARG 61 1HH1 ARG 61 -14.886 13.795 -4.641 455 2HH1 ARG 61 2HH1 ARG 61 -15.864 15.220 -4.752 456 1HH2 ARG 61 1HH2 ARG 61 -18.893 13.526 -4.331 457 2HH2 ARG 61 2HH2 ARG 61 -18.141 15.067 -4.575 458 H TRP 62 H TRP 62 -11.548 8.875 -8.357 459 HA TRP 62 HA TRP 62 -11.241 11.487 -9.507 460 1HB TRP 62 1HB TRP 62 -10.086 11.211 -7.045 461 2HB TRP 62 2HB TRP 62 -8.751 10.802 -8.117 462 HD1 TRP 62 HD1 TRP 62 -8.202 12.748 -10.063 463 HE1 TRP 62 HE1 TRP 62 -8.254 15.309 -9.808 464 HE3 TRP 62 HE3 TRP 62 -11.130 13.088 -5.886 465 HZ2 TRP 62 HZ2 TRP 62 -9.386 17.220 -8.065 466 HZ3 TRP 62 HZ3 TRP 62 -11.650 15.319 -4.988 467 HH2 TRP 62 HH2 TRP 62 -10.795 17.341 -6.056 468 H TRP 63 H TRP 63 -10.445 8.153 -9.370 469 HA TRP 63 HA TRP 63 -8.831 8.468 -11.804 470 1HB TRP 63 1HB TRP 63 -8.407 6.554 -9.506 471 2HB TRP 63 2HB TRP 63 -7.622 6.369 -11.072 472 HD1 TRP 63 HD1 TRP 63 -6.646 7.487 -7.860 473 HE1 TRP 63 HE1 TRP 63 -4.858 9.344 -7.954 474 HE3 TRP 63 HE3 TRP 63 -7.214 8.884 -12.712 475 HZ2 TRP 63 HZ2 TRP 63 -3.836 11.180 -9.867 476 HZ3 TRP 63 HZ3 TRP 63 -5.851 10.691 -13.613 477 HH2 TRP 63 HH2 TRP 63 -4.170 11.823 -12.222 478 H CYS 64 H CYS 64 -10.085 5.652 -10.094 479 HA CYS 64 HA CYS 64 -11.126 4.654 -12.622 480 1HB CYS 64 1HB CYS 64 -11.197 2.516 -11.647 481 2HB CYS 64 2HB CYS 64 -9.772 3.257 -10.932 482 H ASN 65 H ASN 65 -13.194 3.783 -12.895 483 HA ASN 65 HA ASN 65 -15.241 5.343 -11.509 484 1HB ASN 65 1HB ASN 65 -15.032 5.076 -14.082 485 2HB ASN 65 2HB ASN 65 -15.760 3.494 -13.822 486 2HD2 ASN 65 2HD2 ASN 65 -16.229 6.946 -13.492 487 1HD2 ASN 65 1HD2 ASN 65 -17.955 6.898 -13.429 488 H ASP 66 H ASP 66 -15.911 4.433 -9.673 489 HA ASP 66 HA ASP 66 -16.203 1.533 -9.505 490 1HB ASP 66 1HB ASP 66 -16.393 1.823 -7.131 491 2HB ASP 66 2HB ASP 66 -15.055 2.824 -7.688 492 H GLY 67 H GLY 67 -18.099 4.341 -9.981 493 1HA GLY 67 1HA GLY 67 -20.479 2.785 -10.300 494 2HA GLY 67 2HA GLY 67 -20.345 4.527 -10.469 495 H ARG 68 H ARG 68 -19.111 3.457 -7.515 496 HA ARG 68 HA ARG 68 -21.673 3.650 -6.132 497 1HB ARG 68 1HB ARG 68 -18.923 3.038 -5.035 498 2HB ARG 68 2HB ARG 68 -20.438 2.924 -4.149 499 1HG ARG 68 1HG ARG 68 -20.122 1.352 -6.656 500 2HG ARG 68 2HG ARG 68 -19.315 0.799 -5.186 501 1HD ARG 68 1HD ARG 68 -21.560 1.014 -4.037 502 2HD ARG 68 2HD ARG 68 -22.259 1.226 -5.642 503 HE ARG 68 HE ARG 68 -21.178 -1.027 -6.117 504 1HH1 ARG 68 1HH1 ARG 68 -22.324 -0.068 -2.969 505 2HH1 ARG 68 2HH1 ARG 68 -22.643 -1.689 -2.450 506 1HH2 ARG 68 1HH2 ARG 68 -21.596 -3.165 -5.441 507 2HH2 ARG 68 2HH2 ARG 68 -22.229 -3.450 -3.854 508 H THR 69 H THR 69 -19.477 5.781 -7.241 509 HA THR 69 HA THR 69 -20.166 7.732 -5.164 510 HB THR 69 HB THR 69 -17.423 7.885 -6.327 511 HG1 THR 69 HG1 THR 69 -18.317 6.003 -4.426 512 1HG2 THR 69 1HG2 THR 69 -18.481 9.650 -4.854 513 2HG2 THR 69 2HG2 THR 69 -18.401 8.478 -3.538 514 3HG2 THR 69 3HG2 THR 69 -16.918 9.038 -4.312 515 HA PRO 70 HA PRO 70 -21.243 9.763 -9.045 516 1HB PRO 70 1HB PRO 70 -22.488 11.889 -7.895 517 2HB PRO 70 2HB PRO 70 -23.259 10.310 -8.088 518 1HG PRO 70 1HG PRO 70 -21.941 11.493 -5.674 519 2HG PRO 70 2HG PRO 70 -23.458 10.582 -5.787 520 1HD PRO 70 1HD PRO 70 -21.149 9.448 -4.958 521 2HD PRO 70 2HD PRO 70 -22.378 8.546 -5.869 522 H GLY 71 H GLY 71 -20.167 11.248 -10.221 523 1HA GLY 71 1HA GLY 71 -18.644 13.336 -8.824 524 2HA GLY 71 2HA GLY 71 -19.077 13.349 -10.527 525 H SER 72 H SER 72 -18.182 10.347 -10.363 526 HA SER 72 HA SER 72 -15.400 10.359 -9.930 527 1HB SER 72 1HB SER 72 -15.675 8.288 -11.623 528 2HB SER 72 2HB SER 72 -16.145 8.199 -9.925 529 HG SER 72 HG SER 72 -17.788 7.462 -11.378 530 H ARG 73 H ARG 73 -13.757 10.998 -11.152 531 HA ARG 73 HA ARG 73 -14.250 12.376 -13.616 532 1HB ARG 73 1HB ARG 73 -12.110 12.177 -11.692 533 2HB ARG 73 2HB ARG 73 -11.478 11.994 -13.323 534 1HG ARG 73 1HG ARG 73 -11.367 14.243 -13.184 535 2HG ARG 73 2HG ARG 73 -13.040 14.113 -13.731 536 1HD ARG 73 1HD ARG 73 -13.896 14.680 -11.695 537 2HD ARG 73 2HD ARG 73 -12.531 13.999 -10.809 538 HE ARG 73 HE ARG 73 -11.262 15.992 -11.500 539 1HH1 ARG 73 1HH1 ARG 73 -14.744 16.099 -11.601 540 2HH1 ARG 73 2HH1 ARG 73 -14.823 17.824 -11.460 541 1HH2 ARG 73 1HH2 ARG 73 -11.358 18.263 -11.314 542 2HH2 ARG 73 2HH2 ARG 73 -12.898 19.054 -11.297 543 H ASN 74 H ASN 74 -12.670 9.352 -12.693 544 HA ASN 74 HA ASN 74 -12.165 7.454 -13.867 545 1HB ASN 74 1HB ASN 74 -14.536 8.041 -14.850 546 2HB ASN 74 2HB ASN 74 -13.621 8.496 -16.285 547 2HD2 ASN 74 2HD2 ASN 74 -14.278 6.882 -17.605 548 1HD2 ASN 74 1HD2 ASN 74 -13.929 5.212 -17.338 549 H LEU 75 H LEU 75 -10.535 9.831 -13.917 550 HA LEU 75 HA LEU 75 -9.402 10.558 -16.320 551 1HB LEU 75 1HB LEU 75 -8.595 10.308 -13.495 552 2HB LEU 75 2HB LEU 75 -7.284 10.435 -14.645 553 HG LEU 75 HG LEU 75 -9.573 12.399 -14.313 554 1HD1 LEU 75 1HD1 LEU 75 -7.963 12.333 -12.414 555 2HD1 LEU 75 2HD1 LEU 75 -6.681 12.765 -13.548 556 3HD1 LEU 75 3HD1 LEU 75 -8.019 13.880 -13.261 557 1HD2 LEU 75 1HD2 LEU 75 -8.607 12.246 -16.611 558 2HD2 LEU 75 2HD2 LEU 75 -8.420 13.827 -15.851 559 3HD2 LEU 75 3HD2 LEU 75 -7.049 12.720 -15.934 560 H CYS 76 H CYS 76 -8.406 8.158 -14.077 561 HA CYS 76 HA CYS 76 -6.407 6.915 -15.604 562 1HB CYS 76 1HB CYS 76 -7.350 6.896 -13.045 563 2HB CYS 76 2HB CYS 76 -7.822 5.305 -13.626 564 H ASN 77 H ASN 77 -9.836 6.469 -15.218 565 HA ASN 77 HA ASN 77 -11.396 5.142 -16.233 566 1HB ASN 77 1HB ASN 77 -10.251 6.436 -18.198 567 2HB ASN 77 2HB ASN 77 -9.548 4.869 -18.587 568 2HD2 ASN 77 2HD2 ASN 77 -11.753 6.764 -19.684 569 1HD2 ASN 77 1HD2 ASN 77 -13.025 5.667 -20.087 570 H ILE 78 H ILE 78 -10.093 3.745 -14.468 571 HA ILE 78 HA ILE 78 -9.389 1.235 -15.808 572 HB ILE 78 HB ILE 78 -7.625 0.891 -14.471 573 1HG1 ILE 78 1HG1 ILE 78 -9.493 1.771 -12.359 574 2HG1 ILE 78 2HG1 ILE 78 -8.352 0.432 -12.365 575 1HG2 ILE 78 1HG2 ILE 78 -7.532 3.275 -15.363 576 2HG2 ILE 78 2HG2 ILE 78 -7.869 3.778 -13.706 577 3HG2 ILE 78 3HG2 ILE 78 -6.414 2.848 -14.067 578 1HD1 ILE 78 1HD1 ILE 78 -6.544 2.181 -12.022 579 2HD1 ILE 78 2HD1 ILE 78 -7.858 3.303 -11.668 580 3HD1 ILE 78 3HD1 ILE 78 -7.631 1.869 -10.668 581 HA PRO 79 HA PRO 79 -12.647 -0.657 -13.465 582 1HB PRO 79 1HB PRO 79 -11.358 -3.229 -13.467 583 2HB PRO 79 2HB PRO 79 -12.663 -2.670 -14.513 584 1HG PRO 79 1HG PRO 79 -10.108 -3.231 -15.374 585 2HG PRO 79 2HG PRO 79 -11.239 -2.156 -16.214 586 1HD PRO 79 1HD PRO 79 -8.950 -1.474 -14.415 587 2HD PRO 79 2HD PRO 79 -9.512 -0.655 -15.889 588 H CYS 80 H CYS 80 -12.763 -0.172 -11.337 589 HA CYS 80 HA CYS 80 -10.623 -0.312 -9.544 590 1HB CYS 80 1HB CYS 80 -13.491 -0.448 -8.660 591 2HB CYS 80 2HB CYS 80 -12.135 0.372 -7.891 592 H SER 81 H SER 81 -13.521 -2.417 -9.605 593 HA SER 81 HA SER 81 -12.681 -4.228 -7.694 594 1HB SER 81 1HB SER 81 -14.258 -5.832 -8.784 595 2HB SER 81 2HB SER 81 -14.956 -4.238 -8.504 596 HG SER 81 HG SER 81 -13.714 -4.546 -10.944 597 H ALA 82 H ALA 82 -11.606 -3.932 -10.989 598 HA ALA 82 HA ALA 82 -10.574 -6.579 -11.253 599 1HB ALA 82 1HB ALA 82 -11.140 -4.936 -13.120 600 2HB ALA 82 2HB ALA 82 -9.665 -5.887 -13.297 601 3HB ALA 82 3HB ALA 82 -9.572 -4.202 -12.785 602 H LEU 83 H LEU 83 -9.595 -4.018 -9.380 603 HA LEU 83 HA LEU 83 -6.776 -4.862 -9.399 604 1HB LEU 83 1HB LEU 83 -6.143 -2.763 -8.718 605 2HB LEU 83 2HB LEU 83 -7.545 -2.384 -9.699 606 HG LEU 83 HG LEU 83 -8.673 -2.668 -7.223 607 1HD1 LEU 83 1HD1 LEU 83 -6.196 -2.809 -6.436 608 2HD1 LEU 83 2HD1 LEU 83 -6.216 -1.062 -6.677 609 3HD1 LEU 83 3HD1 LEU 83 -7.346 -1.809 -5.547 610 1HD2 LEU 83 1HD2 LEU 83 -7.544 -0.165 -8.471 611 2HD2 LEU 83 2HD2 LEU 83 -9.115 -0.886 -8.820 612 3HD2 LEU 83 3HD2 LEU 83 -8.786 -0.221 -7.220 613 H LEU 84 H LEU 84 -9.652 -5.133 -7.681 614 HA LEU 84 HA LEU 84 -8.262 -5.695 -5.159 615 1HB LEU 84 1HB LEU 84 -11.231 -5.597 -5.364 616 2HB LEU 84 2HB LEU 84 -10.186 -5.134 -4.032 617 HG LEU 84 HG LEU 84 -10.077 -3.526 -6.535 618 1HD1 LEU 84 1HD1 LEU 84 -12.470 -3.908 -4.965 619 2HD1 LEU 84 2HD1 LEU 84 -11.931 -2.229 -4.931 620 3HD1 LEU 84 3HD1 LEU 84 -12.239 -3.026 -6.474 621 1HD2 LEU 84 1HD2 LEU 84 -8.737 -3.345 -4.233 622 2HD2 LEU 84 2HD2 LEU 84 -9.144 -1.940 -5.217 623 3HD2 LEU 84 3HD2 LEU 84 -10.137 -2.355 -3.821 624 H SER 85 H SER 85 -8.057 -7.537 -7.256 625 HA SER 85 HA SER 85 -9.499 -9.804 -6.085 626 1HB SER 85 1HB SER 85 -8.929 -10.351 -8.847 627 2HB SER 85 2HB SER 85 -10.493 -10.325 -8.035 628 HG SER 85 HG SER 85 -10.770 -8.244 -8.596 629 H SER 86 H SER 86 -7.013 -8.817 -5.476 630 HA SER 86 HA SER 86 -4.953 -9.603 -4.873 631 1HB SER 86 1HB SER 86 -5.525 -12.113 -6.463 632 2HB SER 86 2HB SER 86 -4.388 -11.912 -5.131 633 HG SER 86 HG SER 86 -5.978 -12.572 -3.936 634 H ASP 87 H ASP 87 -5.883 -8.369 -7.433 635 HA ASP 87 HA ASP 87 -3.521 -8.878 -9.102 636 1HB ASP 87 1HB ASP 87 -5.840 -9.471 -9.939 637 2HB ASP 87 2HB ASP 87 -6.177 -7.747 -9.938 638 H ILE 88 H ILE 88 -2.061 -7.259 -8.807 639 HA ILE 88 HA ILE 88 -3.043 -4.576 -8.226 640 HB ILE 88 HB ILE 88 -0.404 -4.210 -8.222 641 1HG1 ILE 88 1HG1 ILE 88 -0.358 -6.902 -7.004 642 2HG1 ILE 88 2HG1 ILE 88 -0.420 -6.865 -8.764 643 1HG2 ILE 88 1HG2 ILE 88 -2.257 -5.197 -6.113 644 2HG2 ILE 88 2HG2 ILE 88 -0.549 -4.981 -5.732 645 3HG2 ILE 88 3HG2 ILE 88 -1.504 -3.614 -6.305 646 1HD1 ILE 88 1HD1 ILE 88 1.546 -5.064 -7.534 647 2HD1 ILE 88 2HD1 ILE 88 1.849 -6.789 -7.325 648 3HD1 ILE 88 3HD1 ILE 88 1.685 -6.112 -8.945 649 H THR 89 H THR 89 -3.377 -5.815 -10.857 650 HA THR 89 HA THR 89 -1.483 -4.514 -12.603 651 HB THR 89 HB THR 89 -4.146 -5.697 -13.407 652 HG1 THR 89 HG1 THR 89 -1.821 -7.220 -13.634 653 1HG2 THR 89 1HG2 THR 89 -1.710 -4.768 -14.806 654 2HG2 THR 89 2HG2 THR 89 -2.447 -6.250 -15.414 655 3HG2 THR 89 3HG2 THR 89 -3.393 -4.764 -15.335 656 H ALA 90 H ALA 90 -4.936 -4.164 -11.836 657 HA ALA 90 HA ALA 90 -5.276 -1.809 -13.305 658 1HB ALA 90 1HB ALA 90 -6.877 -3.365 -11.394 659 2HB ALA 90 2HB ALA 90 -7.288 -1.655 -11.535 660 3HB ALA 90 3HB ALA 90 -7.321 -2.691 -12.962 661 H SER 91 H SER 91 -4.536 -2.469 -9.921 662 HA SER 91 HA SER 91 -4.682 0.186 -8.975 663 1HB SER 91 1HB SER 91 -4.349 -2.231 -7.783 664 2HB SER 91 2HB SER 91 -2.705 -1.601 -7.698 665 HG SER 91 HG SER 91 -4.109 -1.055 -5.891 666 H VAL 92 H VAL 92 -2.012 -1.730 -10.249 667 HA VAL 92 HA VAL 92 -0.117 0.360 -9.815 668 HB VAL 92 HB VAL 92 0.071 -2.159 -11.452 669 1HG1 VAL 92 1HG1 VAL 92 1.915 0.211 -11.371 670 2HG1 VAL 92 2HG1 VAL 92 2.562 -1.409 -11.629 671 3HG1 VAL 92 3HG1 VAL 92 1.385 -0.738 -12.759 672 1HG2 VAL 92 1HG2 VAL 92 1.435 -1.159 -8.951 673 2HG2 VAL 92 2HG2 VAL 92 0.285 -2.489 -9.080 674 3HG2 VAL 92 3HG2 VAL 92 1.888 -2.635 -9.802 675 H ASN 93 H ASN 93 -1.656 -0.887 -12.796 676 HA ASN 93 HA ASN 93 -0.597 0.718 -14.633 677 1HB ASN 93 1HB ASN 93 -2.131 -0.306 -15.843 678 2HB ASN 93 2HB ASN 93 -2.943 -0.788 -14.376 679 2HD2 ASN 93 2HD2 ASN 93 -4.840 0.138 -13.835 680 1HD2 ASN 93 1HD2 ASN 93 -5.614 1.379 -14.754 681 H CYS 94 H CYS 94 -3.149 1.555 -12.386 682 HA CYS 94 HA CYS 94 -3.609 4.165 -13.324 683 1HB CYS 94 1HB CYS 94 -4.913 2.658 -11.578 684 2HB CYS 94 2HB CYS 94 -3.927 3.553 -10.423 685 H ALA 95 H ALA 95 -1.504 2.937 -10.714 686 HA ALA 95 HA ALA 95 -0.522 5.532 -10.064 687 1HB ALA 95 1HB ALA 95 -0.466 3.699 -8.466 688 2HB ALA 95 2HB ALA 95 0.751 2.888 -9.454 689 3HB ALA 95 3HB ALA 95 1.115 4.442 -8.699 690 H LYS 96 H LYS 96 0.619 2.963 -12.210 691 HA LYS 96 HA LYS 96 3.143 3.861 -12.820 692 1HB LYS 96 1HB LYS 96 1.925 1.811 -13.753 693 2HB LYS 96 2HB LYS 96 1.185 2.903 -14.915 694 1HG LYS 96 1HG LYS 96 3.969 3.379 -14.972 695 2HG LYS 96 2HG LYS 96 3.725 1.632 -15.022 696 1HD LYS 96 1HD LYS 96 1.808 2.814 -16.740 697 2HD LYS 96 2HD LYS 96 3.372 3.546 -17.103 698 1HE LYS 96 1HE LYS 96 4.353 1.318 -17.357 699 2HE LYS 96 2HE LYS 96 2.789 0.589 -16.994 700 1HZ LYS 96 1HZ LYS 96 2.140 2.217 -19.002 701 2HZ LYS 96 2HZ LYS 96 3.728 1.832 -19.438 702 3HZ LYS 96 3HZ LYS 96 2.589 0.601 -19.217 703 H LYS 97 H LYS 97 0.012 4.906 -13.689 704 HA LYS 97 HA LYS 97 0.840 7.026 -15.490 705 1HB LYS 97 1HB LYS 97 -1.667 5.745 -14.762 706 2HB LYS 97 2HB LYS 97 -1.820 7.496 -14.794 707 1HG LYS 97 1HG LYS 97 -1.878 7.507 -17.006 708 2HG LYS 97 2HG LYS 97 -0.372 6.590 -17.100 709 1HD LYS 97 1HD LYS 97 -1.565 4.889 -17.902 710 2HD LYS 97 2HD LYS 97 -2.287 4.734 -16.299 711 1HE LYS 97 1HE LYS 97 -4.225 5.060 -17.385 712 2HE LYS 97 2HE LYS 97 -3.759 6.760 -17.345 713 1HZ LYS 97 1HZ LYS 97 -2.659 5.274 -19.561 714 2HZ LYS 97 2HZ LYS 97 -4.346 5.384 -19.578 715 3HZ LYS 97 3HZ LYS 97 -3.409 6.792 -19.540 716 H ILE 98 H ILE 98 -0.192 6.647 -12.154 717 HA ILE 98 HA ILE 98 -0.550 9.349 -11.533 718 HB ILE 98 HB ILE 98 0.243 7.072 -9.745 719 1HG1 ILE 98 1HG1 ILE 98 -2.405 8.521 -9.976 720 2HG1 ILE 98 2HG1 ILE 98 -2.032 7.065 -10.891 721 1HG2 ILE 98 1HG2 ILE 98 0.185 9.918 -9.233 722 2HG2 ILE 98 2HG2 ILE 98 -0.936 9.044 -8.190 723 3HG2 ILE 98 3HG2 ILE 98 0.771 8.603 -8.215 724 1HD1 ILE 98 1HD1 ILE 98 -1.428 6.277 -8.365 725 2HD1 ILE 98 2HD1 ILE 98 -2.767 7.390 -8.082 726 3HD1 ILE 98 3HD1 ILE 98 -2.978 6.014 -9.165 727 H VAL 99 H VAL 99 2.266 7.260 -11.165 728 HA VAL 99 HA VAL 99 3.988 9.321 -10.238 729 HB VAL 99 HB VAL 99 4.199 6.765 -9.918 730 1HG1 VAL 99 1HG1 VAL 99 4.298 6.436 -12.459 731 2HG1 VAL 99 2HG1 VAL 99 5.971 6.975 -12.327 732 3HG1 VAL 99 3HG1 VAL 99 5.439 5.531 -11.464 733 1HG2 VAL 99 1HG2 VAL 99 6.527 8.592 -10.452 734 2HG2 VAL 99 2HG2 VAL 99 5.740 8.264 -8.908 735 3HG2 VAL 99 3HG2 VAL 99 6.685 7.004 -9.701 736 H SER 100 H SER 100 3.055 8.156 -13.382 737 HA SER 100 HA SER 100 5.283 9.433 -14.729 738 1HB SER 100 1HB SER 100 4.156 7.342 -15.592 739 2HB SER 100 2HB SER 100 2.748 8.335 -15.966 740 HG SER 100 HG SER 100 4.618 9.648 -17.067 741 H ASP 101 H ASP 101 2.412 10.387 -13.355 742 HA ASP 101 HA ASP 101 1.928 12.597 -15.204 743 1HB ASP 101 1HB ASP 101 0.074 11.158 -14.154 744 2HB ASP 101 2HB ASP 101 0.390 12.056 -12.672 745 H GLY 102 H GLY 102 3.871 12.013 -12.579 746 1HA GLY 102 1HA GLY 102 3.675 14.787 -11.602 747 2HA GLY 102 2HA GLY 102 5.216 14.162 -12.163 748 H ASN 103 H ASN 103 2.626 12.925 -10.040 749 HA ASN 103 HA ASN 103 4.003 13.134 -7.636 750 1HB ASN 103 1HB ASN 103 1.862 11.187 -8.502 751 2HB ASN 103 2HB ASN 103 2.440 11.318 -6.843 752 2HD2 ASN 103 2HD2 ASN 103 2.107 13.296 -5.719 753 1HD2 ASN 103 1HD2 ASN 103 0.809 14.346 -6.163 754 H GLY 104 H GLY 104 6.123 12.464 -7.739 755 1HA GLY 104 1HA GLY 104 7.892 10.982 -8.172 756 2HA GLY 104 2HA GLY 104 6.721 9.739 -8.579 757 H MET 105 H MET 105 5.284 9.141 -6.590 758 HA MET 105 HA MET 105 5.357 7.768 -4.754 759 1HB MET 105 1HB MET 105 8.143 8.799 -4.189 760 2HB MET 105 2HB MET 105 7.360 7.404 -3.461 761 1HG MET 105 1HG MET 105 8.548 7.712 -6.173 762 2HG MET 105 2HG MET 105 8.756 6.421 -4.991 763 1HE MET 105 1HE MET 105 6.038 5.817 -4.067 764 2HE MET 105 2HE MET 105 5.126 4.822 -5.201 765 3HE MET 105 3HE MET 105 6.751 4.340 -4.714 766 H ASN 106 H ASN 106 5.259 10.916 -5.096 767 HA ASN 106 HA ASN 106 5.298 11.697 -2.302 768 1HB ASN 106 1HB ASN 106 5.226 13.062 -4.932 769 2HB ASN 106 2HB ASN 106 4.450 13.888 -3.595 770 2HD2 ASN 106 2HD2 ASN 106 5.790 15.433 -2.968 771 1HD2 ASN 106 1HD2 ASN 106 7.474 15.234 -2.637 772 H ALA 107 H ALA 107 3.034 10.948 -4.852 773 HA ALA 107 HA ALA 107 0.713 12.138 -3.870 774 1HB ALA 107 1HB ALA 107 1.339 9.931 -5.709 775 2HB ALA 107 2HB ALA 107 -0.260 9.858 -4.967 776 3HB ALA 107 3HB ALA 107 0.218 11.281 -5.892 777 H TRP 108 H TRP 108 2.287 9.126 -3.005 778 HA TRP 108 HA TRP 108 0.179 8.406 -1.148 779 1HB TRP 108 1HB TRP 108 2.834 7.046 -1.660 780 2HB TRP 108 2HB TRP 108 1.458 6.368 -0.791 781 HD1 TRP 108 HD1 TRP 108 -0.580 5.454 -2.233 782 HE1 TRP 108 HE1 TRP 108 -0.852 4.923 -4.738 783 HE3 TRP 108 HE3 TRP 108 3.589 7.804 -4.025 784 HZ2 TRP 108 HZ2 TRP 108 0.515 5.434 -7.161 785 HZ3 TRP 108 HZ3 TRP 108 4.036 7.737 -6.443 786 HH2 TRP 108 HH2 TRP 108 2.532 6.576 -7.975 787 H VAL 109 H VAL 109 0.104 9.171 0.825 788 HA VAL 109 HA VAL 109 2.165 10.743 1.969 789 HB VAL 109 HB VAL 109 0.160 9.773 3.789 790 1HG1 VAL 109 1HG1 VAL 109 1.638 12.184 3.207 791 2HG1 VAL 109 2HG1 VAL 109 -0.062 12.511 3.541 792 3HG1 VAL 109 3HG1 VAL 109 0.918 11.644 4.724 793 1HG2 VAL 109 1HG2 VAL 109 -0.612 10.869 1.152 794 2HG2 VAL 109 2HG2 VAL 109 -1.456 9.714 2.183 795 3HG2 VAL 109 3HG2 VAL 109 -1.502 11.435 2.566 796 H ALA 110 H ALA 110 1.363 7.379 2.253 797 HA ALA 110 HA ALA 110 2.604 6.912 4.755 798 1HB ALA 110 1HB ALA 110 2.443 4.845 2.590 799 2HB ALA 110 2HB ALA 110 2.303 4.640 4.337 800 3HB ALA 110 3HB ALA 110 0.993 5.398 3.430 801 H TRP 111 H TRP 111 3.821 7.479 1.616 802 HA TRP 111 HA TRP 111 6.398 6.268 2.163 803 1HB TRP 111 1HB TRP 111 5.557 6.148 -0.118 804 2HB TRP 111 2HB TRP 111 5.444 7.898 -0.200 805 HD1 TRP 111 HD1 TRP 111 7.923 5.044 -0.490 806 HE1 TRP 111 HE1 TRP 111 10.176 5.964 -1.329 807 HE3 TRP 111 HE3 TRP 111 6.946 10.052 -0.138 808 HZ2 TRP 111 HZ2 TRP 111 11.380 8.473 -1.780 809 HZ3 TRP 111 HZ3 TRP 111 8.704 11.645 -0.793 810 HH2 TRP 111 HH2 TRP 111 10.874 10.870 -1.597 811 H ARG 112 H ARG 112 4.938 9.502 2.033 812 HA ARG 112 HA ARG 112 7.495 10.733 2.701 813 1HB ARG 112 1HB ARG 112 5.000 11.581 1.500 814 2HB ARG 112 2HB ARG 112 5.504 12.664 2.789 815 1HG ARG 112 1HG ARG 112 7.831 12.440 1.500 816 2HG ARG 112 2HG ARG 112 6.731 12.152 0.151 817 1HD ARG 112 1HD ARG 112 5.940 14.275 0.166 818 2HD ARG 112 2HD ARG 112 6.068 14.423 1.918 819 HE ARG 112 HE ARG 112 8.360 14.666 0.076 820 1HH1 ARG 112 1HH1 ARG 112 6.648 15.556 2.978 821 2HH1 ARG 112 2HH1 ARG 112 7.824 16.732 3.464 822 1HH2 ARG 112 1HH2 ARG 112 9.912 16.211 0.708 823 2HH2 ARG 112 2HH2 ARG 112 9.678 17.104 2.174 824 H ASN 113 H ASN 113 6.656 9.034 4.654 825 HA ASN 113 HA ASN 113 6.350 10.841 6.883 826 1HB ASN 113 1HB ASN 113 3.998 10.035 5.935 827 2HB ASN 113 2HB ASN 113 4.363 8.622 6.921 828 2HD2 ASN 113 2HD2 ASN 113 4.633 12.153 7.208 829 1HD2 ASN 113 1HD2 ASN 113 3.946 12.245 8.790 830 H ARG 114 H ARG 114 5.910 7.376 6.221 831 HA ARG 114 HA ARG 114 7.699 6.774 8.459 832 1HB ARG 114 1HB ARG 114 5.496 5.344 7.077 833 2HB ARG 114 2HB ARG 114 6.797 4.364 7.733 834 1HG ARG 114 1HG ARG 114 5.289 4.415 9.474 835 2HG ARG 114 2HG ARG 114 6.394 5.723 9.902 836 1HD ARG 114 1HD ARG 114 4.362 6.782 8.219 837 2HD ARG 114 2HD ARG 114 3.589 5.838 9.491 838 HE ARG 114 HE ARG 114 5.086 8.296 9.803 839 1HH1 ARG 114 1HH1 ARG 114 3.714 5.496 11.358 840 2HH1 ARG 114 2HH1 ARG 114 3.667 6.231 12.927 841 1HH2 ARG 114 1HH2 ARG 114 5.029 9.271 11.863 842 2HH2 ARG 114 2HH2 ARG 114 4.414 8.376 13.213 843 H CYS 115 H CYS 115 7.900 7.181 5.185 844 HA CYS 115 HA CYS 115 10.040 5.176 4.933 845 1HB CYS 115 1HB CYS 115 8.054 5.029 3.368 846 2HB CYS 115 2HB CYS 115 8.624 6.531 2.648 847 H LYS 116 H LYS 116 9.185 8.523 4.066 848 HA LYS 116 HA LYS 116 11.576 9.261 2.880 849 1HB LYS 116 1HB LYS 116 9.312 10.547 3.220 850 2HB LYS 116 2HB LYS 116 10.122 11.196 4.639 851 1HG LYS 116 1HG LYS 116 12.032 11.615 2.804 852 2HG LYS 116 2HG LYS 116 10.600 11.714 1.777 853 1HD LYS 116 1HD LYS 116 9.956 13.674 2.668 854 2HD LYS 116 2HD LYS 116 10.360 13.167 4.310 855 1HE LYS 116 1HE LYS 116 12.013 14.677 4.126 856 2HE LYS 116 2HE LYS 116 12.830 13.406 3.217 857 1HZ LYS 116 1HZ LYS 116 11.209 14.714 1.407 858 2HZ LYS 116 2HZ LYS 116 11.928 15.940 2.326 859 3HZ LYS 116 3HZ LYS 116 12.894 14.809 1.520 860 H GLY 117 H GLY 117 13.406 8.499 3.894 861 1HA GLY 117 1HA GLY 117 13.915 9.560 6.603 862 2HA GLY 117 2HA GLY 117 15.118 9.665 5.328 863 H THR 118 H THR 118 13.749 6.788 4.715 864 HA THR 118 HA THR 118 15.501 5.354 6.598 865 HB THR 118 HB THR 118 14.049 3.396 6.293 866 HG1 THR 118 HG1 THR 118 12.159 3.575 5.085 867 1HG2 THR 118 1HG2 THR 118 13.490 5.661 7.776 868 2HG2 THR 118 2HG2 THR 118 11.960 5.306 6.971 869 3HG2 THR 118 3HG2 THR 118 12.736 4.079 7.973 870 H ASP 119 H ASP 119 15.072 2.859 5.054 871 HA ASP 119 HA ASP 119 16.594 3.457 2.630 872 1HB ASP 119 1HB ASP 119 17.907 2.605 4.709 873 2HB ASP 119 2HB ASP 119 17.298 1.066 4.148 874 H VAL 120 H VAL 120 15.162 2.936 1.098 875 HA VAL 120 HA VAL 120 13.364 0.728 1.320 876 HB VAL 120 HB VAL 120 12.742 1.269 -1.007 877 1HG1 VAL 120 1HG1 VAL 120 12.396 2.856 1.281 878 2HG1 VAL 120 2HG1 VAL 120 12.680 3.973 -0.055 879 3HG1 VAL 120 3HG1 VAL 120 11.373 2.794 -0.153 880 1HG2 VAL 120 1HG2 VAL 120 15.042 3.196 -0.785 881 2HG2 VAL 120 2HG2 VAL 120 14.785 1.935 -1.991 882 3HG2 VAL 120 3HG2 VAL 120 13.760 3.370 -1.984 883 H GLN 121 H GLN 121 16.490 1.312 -0.127 884 HA GLN 121 HA GLN 121 16.618 -0.874 -1.875 885 1HB GLN 121 1HB GLN 121 18.751 0.598 -0.328 886 2HB GLN 121 2HB GLN 121 19.132 -0.706 -1.445 887 1HG GLN 121 1HG GLN 121 17.447 1.038 -2.845 888 2HG GLN 121 2HG GLN 121 18.598 2.057 -1.981 889 2HE2 GLN 121 2HE2 GLN 121 18.110 0.844 -4.858 890 1HE2 GLN 121 1HE2 GLN 121 19.722 0.487 -5.367 891 H ALA 122 H ALA 122 16.722 -0.628 1.543 892 HA ALA 122 HA ALA 122 17.787 -3.310 1.918 893 1HB ALA 122 1HB ALA 122 18.538 -1.615 3.467 894 2HB ALA 122 2HB ALA 122 17.556 -2.801 4.329 895 3HB ALA 122 3HB ALA 122 16.873 -1.232 3.904 896 H TRP 123 H TRP 123 14.764 -1.667 1.668 897 HA TRP 123 HA TRP 123 13.130 -3.402 3.176 898 1HB TRP 123 1HB TRP 123 12.680 -1.434 0.993 899 2HB TRP 123 2HB TRP 123 11.403 -2.605 1.296 900 HD1 TRP 123 HD1 TRP 123 11.783 0.736 2.021 901 HE1 TRP 123 HE1 TRP 123 10.900 1.438 4.335 902 HE3 TRP 123 HE3 TRP 123 11.595 -3.831 4.276 903 HZ2 TRP 123 HZ2 TRP 123 10.226 0.184 6.761 904 HZ3 TRP 123 HZ3 TRP 123 10.822 -4.002 6.586 905 HH2 TRP 123 HH2 TRP 123 10.145 -2.012 7.816 906 H ILE 124 H ILE 124 14.756 -3.858 0.206 907 HA ILE 124 HA ILE 124 13.262 -6.363 -0.231 908 HB ILE 124 HB ILE 124 13.897 -6.127 -2.662 909 1HG1 ILE 124 1HG1 ILE 124 14.002 -3.216 -2.523 910 2HG1 ILE 124 2HG1 ILE 124 15.379 -3.970 -1.725 911 1HG2 ILE 124 1HG2 ILE 124 11.651 -5.540 -1.501 912 2HG2 ILE 124 2HG2 ILE 124 12.102 -3.875 -1.867 913 3HG2 ILE 124 3HG2 ILE 124 11.921 -5.046 -3.172 914 1HD1 ILE 124 1HD1 ILE 124 15.481 -5.378 -3.932 915 2HD1 ILE 124 2HD1 ILE 124 14.591 -4.004 -4.588 916 3HD1 ILE 124 3HD1 ILE 124 16.175 -3.758 -3.851 917 H ARG 125 H ARG 125 15.948 -5.368 1.043 918 HA ARG 125 HA ARG 125 18.026 -6.624 -0.411 919 1HB ARG 125 1HB ARG 125 18.225 -4.875 1.449 920 2HB ARG 125 2HB ARG 125 18.020 -6.211 2.573 921 1HG ARG 125 1HG ARG 125 20.226 -6.435 2.497 922 2HG ARG 125 2HG ARG 125 20.001 -7.106 0.880 923 1HD ARG 125 1HD ARG 125 20.370 -4.172 1.462 924 2HD ARG 125 2HD ARG 125 21.681 -5.262 1.012 925 HE ARG 125 HE ARG 125 19.641 -4.179 -0.721 926 1HH1 ARG 125 1HH1 ARG 125 22.043 -6.664 -0.273 927 2HH1 ARG 125 2HH1 ARG 125 22.208 -6.989 -1.966 928 1HH2 ARG 125 1HH2 ARG 125 19.852 -4.599 -2.951 929 2HH2 ARG 125 2HH2 ARG 125 20.964 -5.814 -3.489 930 H GLY 126 H GLY 126 17.520 -8.714 -0.980 931 1HA GLY 126 1HA GLY 126 17.243 -10.612 1.270 932 2HA GLY 126 2HA GLY 126 18.203 -10.950 -0.162 933 H CYS 127 H CYS 127 15.480 -9.286 -1.091 934 HA CYS 127 HA CYS 127 13.525 -11.302 -1.069 935 1HB CYS 127 1HB CYS 127 13.860 -8.705 -2.338 936 2HB CYS 127 2HB CYS 127 12.693 -9.775 -3.088 937 H ARG 128 H ARG 128 12.485 -11.711 -3.456 938 HA ARG 128 HA ARG 128 14.625 -12.745 -5.181 939 1HB ARG 128 1HB ARG 128 12.983 -14.747 -5.544 940 2HB ARG 128 2HB ARG 128 14.063 -14.739 -4.157 941 1HG ARG 128 1HG ARG 128 12.125 -13.709 -2.863 942 2HG ARG 128 2HG ARG 128 11.118 -14.181 -4.233 943 1HD ARG 128 1HD ARG 128 10.891 -16.123 -3.137 944 2HD ARG 128 2HD ARG 128 12.504 -16.475 -3.754 945 HE ARG 128 HE ARG 128 12.482 -15.067 -1.242 946 1HH1 ARG 128 1HH1 ARG 128 12.428 -18.184 -2.797 947 2HH1 ARG 128 2HH1 ARG 128 13.058 -19.025 -1.420 948 1HH2 ARG 128 1HH2 ARG 128 13.312 -16.165 0.575 949 2HH2 ARG 128 2HH2 ARG 128 13.560 -17.878 0.497 950 H LEU 129 H LEU 129 14.181 -10.966 -6.553 951 HA LEU 129 HA LEU 129 11.772 -11.355 -8.190 952 1HB LEU 129 1HB LEU 129 11.765 -8.819 -8.472 953 2HB LEU 129 2HB LEU 129 11.156 -9.468 -6.960 954 HG LEU 129 HG LEU 129 13.903 -8.992 -6.552 955 1HD1 LEU 129 1HD1 LEU 129 12.916 -7.275 -8.579 956 2HD1 LEU 129 2HD1 LEU 129 13.127 -6.321 -7.111 957 3HD1 LEU 129 3HD1 LEU 129 14.482 -7.238 -7.772 958 1HD2 LEU 129 1HD2 LEU 129 12.093 -8.849 -4.896 959 2HD2 LEU 129 2HD2 LEU 129 13.094 -7.396 -4.913 960 3HD2 LEU 129 3HD2 LEU 129 11.505 -7.383 -5.681 No H/Q in entry = 960 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -7.011 -8.963 1.771 2 H2 LYS 1 H2 LYS 1 -7.782 -9.801 0.522 3 H3 LYS 1 H3 LYS 1 -7.711 -10.473 2.073 4 HA LYS 1 HA LYS 1 -5.679 -11.294 1.791 5 1HB LYS 1 1HB LYS 1 -7.044 -11.774 -0.330 6 2HB LYS 1 2HB LYS 1 -6.043 -10.558 -1.111 7 1HG LYS 1 1HG LYS 1 -4.263 -11.916 -1.234 8 2HG LYS 1 2HG LYS 1 -4.560 -12.624 0.355 9 1HD LYS 1 1HD LYS 1 -5.818 -14.309 -0.484 10 2HD LYS 1 2HD LYS 1 -6.515 -13.298 -1.751 11 1HE LYS 1 1HE LYS 1 -5.170 -14.904 -2.850 12 2HE LYS 1 2HE LYS 1 -4.268 -13.390 -2.894 13 1HZ LYS 1 1HZ LYS 1 -3.087 -14.226 -0.857 14 2HZ LYS 1 2HZ LYS 1 -3.793 -15.734 -1.147 15 3HZ LYS 1 3HZ LYS 1 -2.745 -15.058 -2.290 16 H VAL 2 H VAL 2 -3.773 -10.510 2.386 17 HA VAL 2 HA VAL 2 -2.846 -7.979 1.206 18 HB VAL 2 HB VAL 2 -2.152 -9.284 3.840 19 1HG1 VAL 2 1HG1 VAL 2 -0.368 -7.867 2.385 20 2HG1 VAL 2 2HG1 VAL 2 -1.166 -6.569 3.272 21 3HG1 VAL 2 3HG1 VAL 2 -0.399 -7.893 4.148 22 1HG2 VAL 2 1HG2 VAL 2 -4.252 -7.627 3.162 23 2HG2 VAL 2 2HG2 VAL 2 -3.635 -7.914 4.789 24 3HG2 VAL 2 3HG2 VAL 2 -3.063 -6.528 3.860 25 H PHE 3 H PHE 3 -0.909 -7.870 0.152 26 HA PHE 3 HA PHE 3 0.368 -10.318 -0.624 27 1HB PHE 3 1HB PHE 3 1.062 -7.417 -1.134 28 2HB PHE 3 2HB PHE 3 1.959 -8.769 -1.806 29 HD1 PHE 3 HD1 PHE 3 -0.637 -10.455 -2.284 30 HD2 PHE 3 HD2 PHE 3 0.542 -6.484 -3.250 31 HE1 PHE 3 HE1 PHE 3 -2.136 -10.484 -4.233 32 HE2 PHE 3 HE2 PHE 3 -0.952 -6.505 -5.191 33 HZ PHE 3 HZ PHE 3 -2.295 -8.507 -5.693 34 H GLY 4 H GLY 4 2.868 -10.308 -0.569 35 1HA GLY 4 1HA GLY 4 4.487 -10.915 1.048 36 2HA GLY 4 2HA GLY 4 3.655 -9.901 2.222 37 H ARG 5 H ARG 5 6.498 -9.917 1.535 38 HA ARG 5 HA ARG 5 6.739 -7.072 0.958 39 1HB ARG 5 1HB ARG 5 8.918 -8.999 1.771 40 2HB ARG 5 2HB ARG 5 8.993 -7.243 1.799 41 1HG ARG 5 1HG ARG 5 6.911 -7.565 3.415 42 2HG ARG 5 2HG ARG 5 7.699 -9.122 3.685 43 1HD ARG 5 1HD ARG 5 8.917 -6.388 4.044 44 2HD ARG 5 2HD ARG 5 8.483 -7.526 5.318 45 HE ARG 5 HE ARG 5 10.823 -7.611 3.622 46 1HH1 ARG 5 1HH1 ARG 5 8.744 -9.362 5.802 47 2HH1 ARG 5 2HH1 ARG 5 9.943 -10.545 6.201 48 1HH2 ARG 5 1HH2 ARG 5 12.409 -9.165 4.141 49 2HH2 ARG 5 2HH2 ARG 5 12.027 -10.434 5.257 50 H CYS 6 H CYS 6 8.367 -10.060 -0.131 51 HA CYS 6 HA CYS 6 9.323 -8.648 -2.464 52 1HB CYS 6 1HB CYS 6 9.601 -11.601 -1.986 53 2HB CYS 6 2HB CYS 6 10.607 -10.532 -2.961 54 H GLU 7 H GLU 7 6.922 -11.132 -1.708 55 HA GLU 7 HA GLU 7 6.259 -12.043 -4.211 56 1HB GLU 7 1HB GLU 7 4.359 -11.270 -1.982 57 2HB GLU 7 2HB GLU 7 3.912 -12.239 -3.381 58 1HG GLU 7 1HG GLU 7 6.180 -13.457 -2.248 59 2HG GLU 7 2HG GLU 7 5.094 -13.059 -0.917 60 H LEU 8 H LEU 8 5.057 -9.131 -2.615 61 HA LEU 8 HA LEU 8 3.612 -8.136 -4.826 62 1HB LEU 8 1HB LEU 8 3.208 -7.401 -2.520 63 2HB LEU 8 2HB LEU 8 4.799 -6.671 -2.465 64 HG LEU 8 HG LEU 8 2.660 -5.210 -2.876 65 1HD1 LEU 8 1HD1 LEU 8 5.104 -4.546 -2.884 66 2HD1 LEU 8 2HD1 LEU 8 5.040 -4.718 -4.638 67 3HD1 LEU 8 3HD1 LEU 8 4.006 -3.540 -3.828 68 1HD2 LEU 8 1HD2 LEU 8 2.198 -6.743 -4.961 69 2HD2 LEU 8 2HD2 LEU 8 1.849 -5.015 -5.007 70 3HD2 LEU 8 3HD2 LEU 8 3.325 -5.637 -5.747 71 H ALA 9 H ALA 9 6.946 -7.632 -3.676 72 HA ALA 9 HA ALA 9 7.625 -5.574 -5.465 73 1HB ALA 9 1HB ALA 9 9.429 -7.668 -4.276 74 2HB ALA 9 2HB ALA 9 9.005 -6.118 -3.547 75 3HB ALA 9 3HB ALA 9 9.949 -6.164 -5.036 76 H ALA 10 H ALA 10 8.140 -9.097 -5.788 77 HA ALA 10 HA ALA 10 9.351 -9.129 -8.260 78 1HB ALA 10 1HB ALA 10 7.592 -11.315 -8.254 79 2HB ALA 10 2HB ALA 10 9.283 -11.298 -7.756 80 3HB ALA 10 3HB ALA 10 8.010 -11.027 -6.566 81 H ALA 11 H ALA 11 5.942 -8.860 -7.403 82 HA ALA 11 HA ALA 11 4.924 -9.021 -10.017 83 1HB ALA 11 1HB ALA 11 3.859 -7.951 -7.450 84 2HB ALA 11 2HB ALA 11 3.293 -9.323 -8.403 85 3HB ALA 11 3HB ALA 11 2.977 -7.678 -8.953 86 H MET 12 H MET 12 6.131 -6.461 -8.098 87 HA MET 12 HA MET 12 5.392 -4.272 -9.727 88 1HB MET 12 1HB MET 12 7.946 -4.332 -8.151 89 2HB MET 12 2HB MET 12 6.911 -2.965 -8.481 90 1HG MET 12 1HG MET 12 6.071 -5.268 -6.765 91 2HG MET 12 2HG MET 12 6.858 -3.824 -6.136 92 1HE MET 12 1HE MET 12 6.049 -1.472 -6.945 93 2HE MET 12 2HE MET 12 5.198 -1.733 -8.466 94 3HE MET 12 3HE MET 12 4.348 -1.028 -7.090 95 H LYS 13 H LYS 13 8.398 -6.153 -9.563 96 HA LYS 13 HA LYS 13 9.882 -4.861 -11.493 97 1HB LYS 13 1HB LYS 13 10.471 -6.889 -9.968 98 2HB LYS 13 2HB LYS 13 9.894 -7.859 -11.317 99 1HG LYS 13 1HG LYS 13 11.562 -6.246 -12.640 100 2HG LYS 13 2HG LYS 13 12.343 -6.231 -11.057 101 1HD LYS 13 1HD LYS 13 11.627 -8.909 -11.620 102 2HD LYS 13 2HD LYS 13 12.400 -8.257 -13.066 103 1HE LYS 13 1HE LYS 13 13.549 -8.088 -10.284 104 2HE LYS 13 2HE LYS 13 13.986 -9.315 -11.472 105 1HZ LYS 13 1HZ LYS 13 14.294 -6.398 -11.921 106 2HZ LYS 13 2HZ LYS 13 15.536 -7.403 -11.367 107 3HZ LYS 13 3HZ LYS 13 14.872 -7.649 -12.903 108 H ARG 14 H ARG 14 7.634 -7.575 -11.938 109 HA ARG 14 HA ARG 14 7.871 -7.716 -14.735 110 1HB ARG 14 1HB ARG 14 6.197 -8.888 -12.671 111 2HB ARG 14 2HB ARG 14 5.269 -8.528 -14.121 112 1HG ARG 14 1HG ARG 14 7.616 -9.718 -15.040 113 2HG ARG 14 2HG ARG 14 7.141 -10.654 -13.621 114 1HD ARG 14 1HD ARG 14 4.932 -9.971 -15.423 115 2HD ARG 14 2HD ARG 14 6.161 -11.013 -16.142 116 HE ARG 14 HE ARG 14 5.549 -12.069 -13.647 117 1HH1 ARG 14 1HH1 ARG 14 3.933 -11.473 -16.677 118 2HH1 ARG 14 2HH1 ARG 14 2.832 -12.797 -16.497 119 1HH2 ARG 14 1HH2 ARG 14 4.103 -13.815 -13.403 120 2HH2 ARG 14 2HH2 ARG 14 2.928 -14.127 -14.637 121 H HIS 15 H HIS 15 5.805 -5.810 -12.599 122 HA HIS 15 HA HIS 15 4.178 -4.787 -14.696 123 1HB HIS 15 1HB HIS 15 4.482 -4.321 -11.776 124 2HB HIS 15 2HB HIS 15 3.709 -3.053 -12.722 125 HD1 HIS 15 HD1 HIS 15 2.386 -5.062 -10.552 126 HD2 HIS 15 HD2 HIS 15 1.998 -5.182 -14.688 127 HE1 HIS 15 HE1 HIS 15 0.238 -6.293 -10.989 128 HE2 HIS 15 HE2 HIS 15 0.070 -6.431 -13.499 129 H GLY 16 H GLY 16 7.388 -4.134 -13.983 130 1HA GLY 16 1HA GLY 16 7.367 -1.888 -15.700 131 2HA GLY 16 2HA GLY 16 8.758 -2.584 -14.898 132 H LEU 17 H LEU 17 7.371 -2.088 -12.155 133 HA LEU 17 HA LEU 17 7.402 0.813 -12.183 134 1HB LEU 17 1HB LEU 17 7.110 -0.850 -9.713 135 2HB LEU 17 2HB LEU 17 6.532 0.776 -10.007 136 HG LEU 17 HG LEU 17 5.292 -1.820 -10.642 137 1HD1 LEU 17 1HD1 LEU 17 4.695 0.337 -9.069 138 2HD1 LEU 17 2HD1 LEU 17 3.670 0.607 -10.479 139 3HD1 LEU 17 3HD1 LEU 17 3.548 -0.903 -9.576 140 1HD2 LEU 17 1HD2 LEU 17 5.485 0.362 -12.630 141 2HD2 LEU 17 2HD2 LEU 17 5.214 -1.365 -12.863 142 3HD2 LEU 17 3HD2 LEU 17 3.882 -0.321 -12.369 143 H ASP 18 H ASP 18 9.636 -1.521 -11.989 144 HA ASP 18 HA ASP 18 11.317 -0.475 -9.933 145 1HB ASP 18 1HB ASP 18 11.865 -2.665 -10.295 146 2HB ASP 18 2HB ASP 18 11.583 -2.571 -12.022 147 H ASN 19 H ASN 19 11.728 1.615 -10.194 148 HA ASN 19 HA ASN 19 12.740 3.515 -10.885 149 1HB ASN 19 1HB ASN 19 14.638 1.693 -11.199 150 2HB ASN 19 2HB ASN 19 14.389 2.049 -12.905 151 2HD2 ASN 19 2HD2 ASN 19 16.728 2.540 -11.299 152 1HD2 ASN 19 1HD2 ASN 19 17.014 4.243 -11.347 153 H TYR 20 H TYR 20 10.366 2.678 -12.132 154 HA TYR 20 HA TYR 20 10.471 3.168 -14.940 155 1HB TYR 20 1HB TYR 20 8.557 2.041 -13.754 156 2HB TYR 20 2HB TYR 20 8.127 3.602 -13.064 157 HD1 TYR 20 HD1 TYR 20 8.739 2.005 -16.388 158 HD2 TYR 20 HD2 TYR 20 6.548 4.890 -14.157 159 HE1 TYR 20 HE1 TYR 20 7.375 2.497 -18.374 160 HE2 TYR 20 HE2 TYR 20 5.178 5.390 -16.136 161 HH TYR 20 HH TYR 20 5.150 3.429 -18.896 162 H ARG 21 H ARG 21 9.272 5.200 -15.844 163 HA ARG 21 HA ARG 21 10.604 7.428 -15.729 164 1HB ARG 21 1HB ARG 21 7.787 6.892 -16.121 165 2HB ARG 21 2HB ARG 21 8.028 8.486 -15.420 166 1HG ARG 21 1HG ARG 21 9.793 7.815 -17.676 167 2HG ARG 21 2HG ARG 21 8.078 7.973 -18.061 168 1HD ARG 21 1HD ARG 21 9.302 10.064 -16.348 169 2HD ARG 21 2HD ARG 21 9.743 10.051 -18.054 170 HE ARG 21 HE ARG 21 7.085 10.553 -16.943 171 1HH1 ARG 21 1HH1 ARG 21 9.169 10.266 -19.720 172 2HH1 ARG 21 2HH1 ARG 21 8.060 11.052 -20.795 173 1HH2 ARG 21 1HH2 ARG 21 5.619 11.587 -18.349 174 2HH2 ARG 21 2HH2 ARG 21 6.043 11.803 -20.015 175 H GLY 22 H GLY 22 8.408 6.431 -13.189 176 1HA GLY 22 1HA GLY 22 7.974 7.305 -11.097 177 2HA GLY 22 2HA GLY 22 8.868 8.748 -11.551 178 H TYR 23 H TYR 23 8.940 5.794 -9.830 179 HA TYR 23 HA TYR 23 11.811 6.173 -9.324 180 1HB TYR 23 1HB TYR 23 9.572 5.969 -7.351 181 2HB TYR 23 2HB TYR 23 11.199 5.473 -6.896 182 HD1 TYR 23 HD1 TYR 23 9.442 8.356 -8.500 183 HD2 TYR 23 HD2 TYR 23 12.588 7.060 -5.946 184 HE1 TYR 23 HE1 TYR 23 10.008 10.698 -8.022 185 HE2 TYR 23 HE2 TYR 23 13.163 9.401 -5.459 186 HH TYR 23 HH TYR 23 11.878 12.022 -7.245 187 H SER 24 H SER 24 12.591 4.374 -7.733 188 HA SER 24 HA SER 24 12.386 1.933 -9.237 189 1HB SER 24 1HB SER 24 14.276 1.187 -7.951 190 2HB SER 24 2HB SER 24 14.558 2.862 -8.424 191 HG SER 24 HG SER 24 14.926 2.171 -6.118 192 H LEU 25 H LEU 25 12.317 -0.145 -8.123 193 HA LEU 25 HA LEU 25 9.952 -0.792 -7.037 194 1HB LEU 25 1HB LEU 25 12.608 -1.983 -7.121 195 2HB LEU 25 2HB LEU 25 11.658 -2.545 -5.758 196 HG LEU 25 HG LEU 25 10.371 -2.537 -8.429 197 1HD1 LEU 25 1HD1 LEU 25 12.785 -3.503 -8.533 198 2HD1 LEU 25 2HD1 LEU 25 12.080 -4.862 -7.658 199 3HD1 LEU 25 3HD1 LEU 25 11.447 -4.408 -9.241 200 1HD2 LEU 25 1HD2 LEU 25 10.275 -4.211 -5.936 201 2HD2 LEU 25 2HD2 LEU 25 8.995 -3.236 -6.656 202 3HD2 LEU 25 3HD2 LEU 25 9.515 -4.725 -7.443 203 H GLY 26 H GLY 26 12.870 -0.241 -5.038 204 1HA GLY 26 1HA GLY 26 13.065 0.679 -2.933 205 2HA GLY 26 2HA GLY 26 11.922 -0.591 -2.539 206 H ASN 27 H ASN 27 11.296 2.281 -4.506 207 HA ASN 27 HA ASN 27 10.027 3.727 -2.401 208 1HB ASN 27 1HB ASN 27 9.735 4.134 -5.380 209 2HB ASN 27 2HB ASN 27 9.348 5.301 -4.118 210 2HD2 ASN 27 2HD2 ASN 27 11.899 3.677 -5.838 211 1HD2 ASN 27 1HD2 ASN 27 13.173 4.733 -5.345 212 H TRP 28 H TRP 28 8.897 1.568 -4.920 213 HA TRP 28 HA TRP 28 6.119 2.048 -4.567 214 1HB TRP 28 1HB TRP 28 7.588 -0.304 -5.751 215 2HB TRP 28 2HB TRP 28 5.843 -0.055 -5.848 216 HD1 TRP 28 HD1 TRP 28 9.075 0.985 -7.431 217 HE1 TRP 28 HE1 TRP 28 8.616 2.652 -9.327 218 HE3 TRP 28 HE3 TRP 28 4.125 1.843 -6.552 219 HZ2 TRP 28 HZ2 TRP 28 6.428 4.129 -10.344 220 HZ3 TRP 28 HZ3 TRP 28 2.899 3.382 -8.023 221 HH2 TRP 28 HH2 TRP 28 4.033 4.508 -9.889 222 H VAL 29 H VAL 29 8.320 -0.465 -3.333 223 HA VAL 29 HA VAL 29 6.347 -1.885 -1.916 224 HB VAL 29 HB VAL 29 9.315 -1.712 -1.378 225 1HG1 VAL 29 1HG1 VAL 29 7.887 -2.638 0.471 226 2HG1 VAL 29 2HG1 VAL 29 7.437 -3.941 -0.630 227 3HG1 VAL 29 3HG1 VAL 29 9.121 -3.733 -0.152 228 1HG2 VAL 29 1HG2 VAL 29 7.918 -2.781 -3.591 229 2HG2 VAL 29 2HG2 VAL 29 8.531 -4.139 -2.647 230 3HG2 VAL 29 3HG2 VAL 29 9.640 -2.894 -3.226 231 H CYS 30 H CYS 30 8.696 0.552 -0.913 232 HA CYS 30 HA CYS 30 8.065 0.663 1.787 233 1HB CYS 30 1HB CYS 30 9.932 1.816 0.359 234 2HB CYS 30 2HB CYS 30 8.776 3.139 0.259 235 H ALA 31 H ALA 31 6.759 2.616 -0.890 236 HA ALA 31 HA ALA 31 4.981 4.136 0.675 237 1HB ALA 31 1HB ALA 31 5.225 3.560 -2.243 238 2HB ALA 31 2HB ALA 31 3.814 4.421 -1.628 239 3HB ALA 31 3HB ALA 31 5.430 5.081 -1.377 240 H ALA 32 H ALA 32 4.458 1.188 -1.243 241 HA ALA 32 HA ALA 32 1.681 1.019 -0.722 242 1HB ALA 32 1HB ALA 32 3.268 -0.187 -2.486 243 2HB ALA 32 2HB ALA 32 3.192 -1.466 -1.274 244 3HB ALA 32 3HB ALA 32 1.708 -0.852 -2.003 245 H LYS 33 H LYS 33 4.442 -0.742 0.682 246 HA LYS 33 HA LYS 33 3.197 -2.408 2.424 247 1HB LYS 33 1HB LYS 33 5.616 -2.370 2.117 248 2HB LYS 33 2HB LYS 33 5.711 -0.813 2.927 249 1HG LYS 33 1HG LYS 33 4.573 -2.125 4.894 250 2HG LYS 33 2HG LYS 33 5.266 -3.522 4.068 251 1HD LYS 33 1HD LYS 33 7.463 -2.712 4.321 252 2HD LYS 33 2HD LYS 33 6.903 -1.093 4.744 253 1HE LYS 33 1HE LYS 33 7.512 -1.950 6.802 254 2HE LYS 33 2HE LYS 33 5.781 -2.284 6.756 255 1HZ LYS 33 1HZ LYS 33 6.867 -4.491 5.623 256 2HZ LYS 33 2HZ LYS 33 7.996 -4.112 6.825 257 3HZ LYS 33 3HZ LYS 33 6.375 -4.364 7.235 258 H PHE 34 H PHE 34 4.266 0.894 3.242 259 HA PHE 34 HA PHE 34 2.892 0.808 5.727 260 1HB PHE 34 1HB PHE 34 4.536 2.743 4.318 261 2HB PHE 34 2HB PHE 34 3.423 3.411 5.492 262 HD1 PHE 34 HD1 PHE 34 3.436 1.996 7.791 263 HD2 PHE 34 HD2 PHE 34 6.662 2.305 5.032 264 HE1 PHE 34 HE1 PHE 34 5.021 1.433 9.586 265 HE2 PHE 34 HE2 PHE 34 8.252 1.742 6.823 266 HZ PHE 34 HZ PHE 34 7.432 1.305 9.104 267 H GLU 35 H GLU 35 1.924 1.622 2.558 268 HA GLU 35 HA GLU 35 -0.076 3.507 3.147 269 1HB GLU 35 1HB GLU 35 0.953 2.116 0.885 270 2HB GLU 35 2HB GLU 35 -0.795 1.930 0.886 271 1HG GLU 35 1HG GLU 35 -1.162 4.224 0.720 272 2HG GLU 35 2HG GLU 35 0.476 4.616 1.243 273 H SER 36 H SER 36 -0.336 0.043 2.413 274 HA SER 36 HA SER 36 -2.851 -0.032 3.956 275 1HB SER 36 1HB SER 36 -3.578 -1.757 2.174 276 2HB SER 36 2HB SER 36 -3.578 -0.059 1.704 277 HG SER 36 HG SER 36 -1.214 -1.445 1.300 278 H ASN 37 H ASN 37 0.125 -1.020 4.232 279 HA ASN 37 HA ASN 37 1.190 -2.809 5.179 280 1HB ASN 37 1HB ASN 37 -1.620 -3.096 6.155 281 2HB ASN 37 2HB ASN 37 -0.521 -4.452 6.396 282 2HD2 ASN 37 2HD2 ASN 37 1.671 -3.757 7.295 283 1HD2 ASN 37 1HD2 ASN 37 1.624 -2.635 8.608 284 H PHE 38 H PHE 38 0.192 -2.841 2.479 285 HA PHE 38 HA PHE 38 0.282 -4.114 0.666 286 1HB PHE 38 1HB PHE 38 1.120 -6.179 2.679 287 2HB PHE 38 2HB PHE 38 0.897 -6.587 0.980 288 HD1 PHE 38 HD1 PHE 38 1.939 -4.391 -0.484 289 HD2 PHE 38 HD2 PHE 38 3.374 -6.062 3.154 290 HE1 PHE 38 HE1 PHE 38 4.185 -3.535 -0.991 291 HE2 PHE 38 HE2 PHE 38 5.626 -5.207 2.657 292 HZ PHE 38 HZ PHE 38 6.038 -3.950 0.581 293 H ASN 39 H ASN 39 -2.162 -3.748 2.343 294 HA ASN 39 HA ASN 39 -3.721 -6.124 1.796 295 1HB ASN 39 1HB ASN 39 -4.000 -4.452 3.778 296 2HB ASN 39 2HB ASN 39 -4.903 -3.490 2.616 297 2HD2 ASN 39 2HD2 ASN 39 -6.290 -5.289 1.204 298 1HD2 ASN 39 1HD2 ASN 39 -7.369 -6.176 2.220 299 H THR 40 H THR 40 -4.224 -6.508 -0.241 300 HA THR 40 HA THR 40 -4.410 -4.474 -2.232 301 HB THR 40 HB THR 40 -4.538 -6.180 -3.761 302 HG1 THR 40 HG1 THR 40 -5.826 -7.959 -3.521 303 1HG2 THR 40 1HG2 THR 40 -3.505 -7.487 -1.254 304 2HG2 THR 40 2HG2 THR 40 -3.405 -8.240 -2.845 305 3HG2 THR 40 3HG2 THR 40 -2.574 -6.715 -2.538 306 H GLN 41 H GLN 41 -6.573 -6.103 -0.131 307 HA GLN 41 HA GLN 41 -8.948 -5.169 -1.528 308 1HB GLN 41 1HB GLN 41 -8.313 -7.155 0.576 309 2HB GLN 41 2HB GLN 41 -9.884 -6.395 0.667 310 1HG GLN 41 1HG GLN 41 -9.307 -7.257 -2.021 311 2HG GLN 41 2HG GLN 41 -9.161 -8.588 -0.872 312 2HE2 GLN 41 2HE2 GLN 41 -11.250 -6.892 -2.800 313 1HE2 GLN 41 1HE2 GLN 41 -12.745 -7.368 -2.078 314 H ALA 42 H ALA 42 -6.818 -3.718 0.356 315 HA ALA 42 HA ALA 42 -8.284 -2.669 2.517 316 1HB ALA 42 1HB ALA 42 -5.742 -1.966 1.152 317 2HB ALA 42 2HB ALA 42 -6.045 -2.397 2.836 318 3HB ALA 42 3HB ALA 42 -6.462 -0.788 2.250 319 H THR 43 H THR 43 -9.784 -1.186 2.635 320 HA THR 43 HA THR 43 -9.999 0.891 0.566 321 HB THR 43 HB THR 43 -12.372 0.667 0.399 322 HG1 THR 43 HG1 THR 43 -13.558 -0.675 1.716 323 1HG2 THR 43 1HG2 THR 43 -10.981 -0.956 -0.914 324 2HG2 THR 43 2HG2 THR 43 -11.308 -2.156 0.337 325 3HG2 THR 43 3HG2 THR 43 -12.635 -1.488 -0.612 326 H ASN 44 H ASN 44 -9.985 2.864 1.572 327 HA ASN 44 HA ASN 44 -11.187 3.058 4.243 328 1HB ASN 44 1HB ASN 44 -8.371 3.295 3.608 329 2HB ASN 44 2HB ASN 44 -8.987 4.778 4.330 330 2HD2 ASN 44 2HD2 ASN 44 -9.796 4.735 6.427 331 1HD2 ASN 44 1HD2 ASN 44 -9.459 3.433 7.511 332 H ARG 45 H ARG 45 -12.671 4.579 4.225 333 HA ARG 45 HA ARG 45 -12.759 6.583 2.159 334 1HB ARG 45 1HB ARG 45 -14.764 5.388 3.199 335 2HB ARG 45 2HB ARG 45 -14.540 6.446 4.587 336 1HG ARG 45 1HG ARG 45 -14.557 8.248 2.563 337 2HG ARG 45 2HG ARG 45 -15.656 7.016 1.937 338 1HD ARG 45 1HD ARG 45 -16.982 8.570 3.146 339 2HD ARG 45 2HD ARG 45 -16.859 7.119 4.141 340 HE ARG 45 HE ARG 45 -14.898 8.523 5.181 341 1HH1 ARG 45 1HH1 ARG 45 -18.054 9.612 4.187 342 2HH1 ARG 45 2HH1 ARG 45 -18.123 10.889 5.356 343 1HH2 ARG 45 1HH2 ARG 45 -14.979 10.201 6.722 344 2HH2 ARG 45 2HH2 ARG 45 -16.374 11.224 6.796 345 H ASN 46 H ASN 46 -12.559 8.794 2.391 346 HA ASN 46 HA ASN 46 -11.161 9.670 4.829 347 1HB ASN 46 1HB ASN 46 -11.105 11.125 2.197 348 2HB ASN 46 2HB ASN 46 -9.975 11.248 3.541 349 2HD2 ASN 46 2HD2 ASN 46 -9.102 8.901 4.109 350 1HD2 ASN 46 1HD2 ASN 46 -8.429 8.073 2.752 351 H THR 47 H THR 47 -11.361 12.202 5.005 352 HA THR 47 HA THR 47 -14.166 12.705 5.492 353 HB THR 47 HB THR 47 -13.407 14.794 6.550 354 HG1 THR 47 HG1 THR 47 -11.327 15.434 6.434 355 1HG2 THR 47 1HG2 THR 47 -12.383 12.131 7.292 356 2HG2 THR 47 2HG2 THR 47 -11.603 13.496 8.092 357 3HG2 THR 47 3HG2 THR 47 -13.348 13.275 8.224 358 H ASP 48 H ASP 48 -11.735 13.668 3.193 359 HA ASP 48 HA ASP 48 -13.058 15.979 2.206 360 1HB ASP 48 1HB ASP 48 -11.548 15.636 0.206 361 2HB ASP 48 2HB ASP 48 -10.730 15.786 1.758 362 H GLY 49 H GLY 49 -13.756 12.694 1.938 363 1HA GLY 49 1HA GLY 49 -15.560 13.256 -0.332 364 2HA GLY 49 2HA GLY 49 -15.920 12.129 0.967 365 H SER 50 H SER 50 -12.752 12.250 -0.494 366 HA SER 50 HA SER 50 -13.260 10.191 -2.413 367 1HB SER 50 1HB SER 50 -10.589 10.129 -2.248 368 2HB SER 50 2HB SER 50 -11.450 11.395 -3.123 369 HG SER 50 HG SER 50 -9.747 11.871 -1.350 370 H THR 51 H THR 51 -11.323 8.369 -2.249 371 HA THR 51 HA THR 51 -11.118 7.187 0.365 372 HB THR 51 HB THR 51 -12.768 5.741 -1.715 373 HG1 THR 51 HG1 THR 51 -14.003 6.263 0.650 374 1HG2 THR 51 1HG2 THR 51 -11.302 4.789 0.505 375 2HG2 THR 51 2HG2 THR 51 -13.011 4.700 0.934 376 3HG2 THR 51 3HG2 THR 51 -12.423 3.895 -0.522 377 H ASP 52 H ASP 52 -9.764 5.251 0.357 378 HA ASP 52 HA ASP 52 -8.082 5.087 -2.053 379 1HB ASP 52 1HB ASP 52 -7.432 4.469 0.838 380 2HB ASP 52 2HB ASP 52 -6.331 4.217 -0.514 381 H TYR 53 H TYR 53 -8.959 3.490 -3.233 382 HA TYR 53 HA TYR 53 -9.630 0.995 -1.865 383 1HB TYR 53 1HB TYR 53 -10.306 1.895 -4.667 384 2HB TYR 53 2HB TYR 53 -10.788 0.369 -3.937 385 HD1 TYR 53 HD1 TYR 53 -12.229 0.496 -1.804 386 HD2 TYR 53 HD2 TYR 53 -11.679 3.767 -4.466 387 HE1 TYR 53 HE1 TYR 53 -14.280 1.538 -0.936 388 HE2 TYR 53 HE2 TYR 53 -13.727 4.820 -3.604 389 HH TYR 53 HH TYR 53 -15.778 3.183 -1.233 390 H GLY 54 H GLY 54 -7.360 0.491 -1.622 391 1HA GLY 54 1HA GLY 54 -5.886 -0.141 -4.049 392 2HA GLY 54 2HA GLY 54 -6.488 -1.552 -3.208 393 H ILE 55 H ILE 55 -4.153 -1.971 -3.387 394 HA ILE 55 HA ILE 55 -2.903 -1.648 -0.836 395 HB ILE 55 HB ILE 55 -2.578 -3.651 -2.357 396 1HG1 ILE 55 1HG1 ILE 55 -0.020 -2.221 -1.597 397 2HG1 ILE 55 2HG1 ILE 55 -1.041 -3.107 -0.468 398 1HG2 ILE 55 1HG2 ILE 55 -2.351 -2.372 -4.448 399 2HG2 ILE 55 2HG2 ILE 55 -0.792 -1.763 -3.891 400 3HG2 ILE 55 3HG2 ILE 55 -1.008 -3.487 -4.194 401 1HD1 ILE 55 1HD1 ILE 55 -0.679 -5.059 -2.182 402 2HD1 ILE 55 2HD1 ILE 55 0.752 -4.121 -2.606 403 3HD1 ILE 55 3HD1 ILE 55 0.527 -4.687 -0.951 404 H LEU 56 H LEU 56 -3.007 0.066 -3.784 405 HA LEU 56 HA LEU 56 -0.764 1.784 -2.969 406 1HB LEU 56 1HB LEU 56 -1.329 0.587 -5.479 407 2HB LEU 56 2HB LEU 56 -1.635 2.302 -5.661 408 HG LEU 56 HG LEU 56 0.601 2.110 -6.300 409 1HD1 LEU 56 1HD1 LEU 56 0.060 3.595 -4.136 410 2HD1 LEU 56 2HD1 LEU 56 1.293 2.532 -3.460 411 3HD1 LEU 56 3HD1 LEU 56 1.655 3.513 -4.882 412 1HD2 LEU 56 1HD2 LEU 56 0.761 0.029 -4.151 413 2HD2 LEU 56 2HD2 LEU 56 1.163 -0.096 -5.864 414 3HD2 LEU 56 3HD2 LEU 56 2.222 0.796 -4.773 415 H GLN 57 H GLN 57 -3.948 1.526 -2.681 416 HA GLN 57 HA GLN 57 -5.604 2.945 -2.127 417 1HB GLN 57 1HB GLN 57 -3.522 5.114 -2.405 418 2HB GLN 57 2HB GLN 57 -5.086 5.275 -1.616 419 1HG GLN 57 1HG GLN 57 -4.344 3.463 -0.034 420 2HG GLN 57 2HG GLN 57 -2.733 3.631 -0.733 421 2HE2 GLN 57 2HE2 GLN 57 -2.114 6.089 -0.903 422 1HE2 GLN 57 1HE2 GLN 57 -2.312 6.971 0.570 423 H ILE 58 H ILE 58 -6.446 2.276 -4.343 424 HA ILE 58 HA ILE 58 -6.152 4.256 -6.420 425 HB ILE 58 HB ILE 58 -8.177 2.029 -6.406 426 1HG1 ILE 58 1HG1 ILE 58 -6.151 0.897 -5.860 427 2HG1 ILE 58 2HG1 ILE 58 -6.389 0.677 -7.589 428 1HG2 ILE 58 1HG2 ILE 58 -7.765 4.018 -8.186 429 2HG2 ILE 58 2HG2 ILE 58 -6.702 2.771 -8.839 430 3HG2 ILE 58 3HG2 ILE 58 -8.417 2.435 -8.606 431 1HD1 ILE 58 1HD1 ILE 58 -4.857 2.992 -7.354 432 2HD1 ILE 58 2HD1 ILE 58 -4.187 1.863 -6.178 433 3HD1 ILE 58 3HD1 ILE 58 -4.317 1.396 -7.874 434 H ASN 59 H ASN 59 -7.076 6.174 -5.909 435 HA ASN 59 HA ASN 59 -9.480 6.391 -4.420 436 1HB ASN 59 1HB ASN 59 -7.753 8.155 -4.468 437 2HB ASN 59 2HB ASN 59 -8.100 8.439 -6.172 438 2HD2 ASN 59 2HD2 ASN 59 -10.763 7.631 -4.174 439 1HD2 ASN 59 1HD2 ASN 59 -11.427 9.218 -4.034 440 H SER 60 H SER 60 -11.172 5.328 -5.360 441 HA SER 60 HA SER 60 -11.754 5.357 -8.120 442 1HB SER 60 1HB SER 60 -13.601 4.086 -7.588 443 2HB SER 60 2HB SER 60 -12.625 3.830 -6.143 444 HG SER 60 HG SER 60 -14.597 4.405 -5.397 445 H ARG 61 H ARG 61 -12.077 7.813 -5.811 446 HA ARG 61 HA ARG 61 -14.293 9.095 -7.236 447 1HB ARG 61 1HB ARG 61 -14.023 8.931 -4.634 448 2HB ARG 61 2HB ARG 61 -12.929 10.290 -4.849 449 1HG ARG 61 1HG ARG 61 -14.632 11.682 -5.651 450 2HG ARG 61 2HG ARG 61 -15.720 10.323 -5.945 451 1HD ARG 61 1HD ARG 61 -16.604 10.642 -3.935 452 2HD ARG 61 2HD ARG 61 -15.048 10.229 -3.217 453 HE ARG 61 HE ARG 61 -14.555 12.522 -3.018 454 1HH1 ARG 61 1HH1 ARG 61 -17.719 11.935 -4.356 455 2HH1 ARG 61 2HH1 ARG 61 -18.286 13.543 -4.053 456 1HH2 ARG 61 1HH2 ARG 61 -15.294 14.641 -2.615 457 2HH2 ARG 61 2HH2 ARG 61 -16.907 15.081 -3.064 458 H TRP 62 H TRP 62 -11.456 8.761 -8.167 459 HA TRP 62 HA TRP 62 -11.182 11.384 -9.297 460 1HB TRP 62 1HB TRP 62 -9.918 11.064 -6.886 461 2HB TRP 62 2HB TRP 62 -8.633 10.695 -8.030 462 HD1 TRP 62 HD1 TRP 62 -8.137 12.691 -9.912 463 HE1 TRP 62 HE1 TRP 62 -8.232 15.245 -9.610 464 HE3 TRP 62 HE3 TRP 62 -11.019 12.905 -5.694 465 HZ2 TRP 62 HZ2 TRP 62 -9.378 17.105 -7.822 466 HZ3 TRP 62 HZ3 TRP 62 -11.569 15.110 -4.752 467 HH2 TRP 62 HH2 TRP 62 -10.763 17.166 -5.794 468 H TRP 63 H TRP 63 -10.466 8.048 -9.290 469 HA TRP 63 HA TRP 63 -8.915 8.405 -11.759 470 1HB TRP 63 1HB TRP 63 -8.407 6.437 -9.521 471 2HB TRP 63 2HB TRP 63 -7.666 6.310 -11.115 472 HD1 TRP 63 HD1 TRP 63 -6.601 7.329 -7.903 473 HE1 TRP 63 HE1 TRP 63 -4.840 9.212 -7.984 474 HE3 TRP 63 HE3 TRP 63 -7.337 8.895 -12.683 475 HZ2 TRP 63 HZ2 TRP 63 -3.902 11.129 -9.857 476 HZ3 TRP 63 HZ3 TRP 63 -6.022 10.752 -13.557 477 HH2 TRP 63 HH2 TRP 63 -4.314 11.853 -12.175 478 H CYS 64 H CYS 64 -10.165 5.590 -10.031 479 HA CYS 64 HA CYS 64 -11.245 4.607 -12.546 480 1HB CYS 64 1HB CYS 64 -11.309 2.472 -11.591 481 2HB CYS 64 2HB CYS 64 -9.904 3.205 -10.828 482 H ASN 65 H ASN 65 -13.323 3.789 -12.817 483 HA ASN 65 HA ASN 65 -15.339 5.365 -11.403 484 1HB ASN 65 1HB ASN 65 -15.324 5.382 -13.876 485 2HB ASN 65 2HB ASN 65 -15.613 3.645 -13.877 486 2HD2 ASN 65 2HD2 ASN 65 -16.973 6.472 -12.210 487 1HD2 ASN 65 1HD2 ASN 65 -18.623 6.087 -12.547 488 H ASP 66 H ASP 66 -16.031 4.433 -9.588 489 HA ASP 66 HA ASP 66 -16.412 1.534 -9.502 490 1HB ASP 66 1HB ASP 66 -16.577 1.776 -7.098 491 2HB ASP 66 2HB ASP 66 -15.153 2.639 -7.669 492 H GLY 67 H GLY 67 -18.184 4.272 -10.177 493 1HA GLY 67 1HA GLY 67 -20.651 2.827 -10.203 494 2HA GLY 67 2HA GLY 67 -20.432 4.519 -10.621 495 H ARG 68 H ARG 68 -19.122 3.952 -7.602 496 HA ARG 68 HA ARG 68 -21.616 4.311 -6.142 497 1HB ARG 68 1HB ARG 68 -18.780 4.071 -5.118 498 2HB ARG 68 2HB ARG 68 -20.236 4.065 -4.131 499 1HG ARG 68 1HG ARG 68 -20.352 2.055 -6.205 500 2HG ARG 68 2HG ARG 68 -18.928 1.863 -5.181 501 1HD ARG 68 1HD ARG 68 -20.247 1.703 -3.220 502 2HD ARG 68 2HD ARG 68 -21.694 2.251 -4.066 503 HE ARG 68 HE ARG 68 -21.036 -0.021 -5.377 504 1HH1 ARG 68 1HH1 ARG 68 -21.505 0.743 -2.010 505 2HH1 ARG 68 2HH1 ARG 68 -22.061 -0.844 -1.595 506 1HH2 ARG 68 1HH2 ARG 68 -21.767 -2.113 -4.840 507 2HH2 ARG 68 2HH2 ARG 68 -22.210 -2.468 -3.203 508 H THR 69 H THR 69 -19.898 6.332 -7.866 509 HA THR 69 HA THR 69 -20.518 8.600 -6.146 510 HB THR 69 HB THR 69 -17.833 8.604 -7.478 511 HG1 THR 69 HG1 THR 69 -17.877 6.762 -6.089 512 1HG2 THR 69 1HG2 THR 69 -19.176 10.579 -6.295 513 2HG2 THR 69 2HG2 THR 69 -18.414 9.885 -4.863 514 3HG2 THR 69 3HG2 THR 69 -17.419 10.452 -6.204 515 HA PRO 70 HA PRO 70 -21.927 9.796 -10.242 516 1HB PRO 70 1HB PRO 70 -23.138 12.101 -9.476 517 2HB PRO 70 2HB PRO 70 -23.867 10.509 -9.234 518 1HG PRO 70 1HG PRO 70 -22.373 12.224 -7.287 519 2HG PRO 70 2HG PRO 70 -23.864 11.295 -7.044 520 1HD PRO 70 1HD PRO 70 -21.445 10.405 -6.217 521 2HD PRO 70 2HD PRO 70 -22.730 9.308 -6.762 522 H GLY 71 H GLY 71 -19.654 11.290 -8.217 523 1HA GLY 71 1HA GLY 71 -18.509 13.380 -8.539 524 2HA GLY 71 2HA GLY 71 -19.071 13.385 -10.204 525 H SER 72 H SER 72 -18.284 10.338 -10.000 526 HA SER 72 HA SER 72 -15.506 10.179 -9.761 527 1HB SER 72 1HB SER 72 -17.066 8.227 -9.836 528 2HB SER 72 2HB SER 72 -17.254 8.495 -11.569 529 HG SER 72 HG SER 72 -14.900 8.264 -11.664 530 H ARG 73 H ARG 73 -13.910 10.924 -10.974 531 HA ARG 73 HA ARG 73 -14.443 12.316 -13.420 532 1HB ARG 73 1HB ARG 73 -11.858 11.656 -12.002 533 2HB ARG 73 2HB ARG 73 -11.958 12.648 -13.449 534 1HG ARG 73 1HG ARG 73 -13.733 13.508 -11.289 535 2HG ARG 73 2HG ARG 73 -12.014 13.583 -10.896 536 1HD ARG 73 1HD ARG 73 -12.546 14.591 -13.555 537 2HD ARG 73 2HD ARG 73 -13.488 15.452 -12.339 538 HE ARG 73 HE ARG 73 -10.575 15.371 -12.558 539 1HH1 ARG 73 1HH1 ARG 73 -13.422 16.482 -10.883 540 2HH1 ARG 73 2HH1 ARG 73 -12.582 17.722 -10.014 541 1HH2 ARG 73 1HH2 ARG 73 -9.462 17.002 -11.417 542 2HH2 ARG 73 2HH2 ARG 73 -10.332 18.019 -10.317 543 H ASN 74 H ASN 74 -12.795 9.310 -12.543 544 HA ASN 74 HA ASN 74 -12.267 7.436 -13.744 545 1HB ASN 74 1HB ASN 74 -14.676 8.051 -14.703 546 2HB ASN 74 2HB ASN 74 -13.750 8.406 -16.159 547 2HD2 ASN 74 2HD2 ASN 74 -14.747 6.702 -17.250 548 1HD2 ASN 74 1HD2 ASN 74 -14.319 5.055 -16.949 549 H LEU 75 H LEU 75 -10.684 9.829 -13.795 550 HA LEU 75 HA LEU 75 -9.618 10.630 -16.208 551 1HB LEU 75 1HB LEU 75 -8.745 10.331 -13.409 552 2HB LEU 75 2HB LEU 75 -7.460 10.502 -14.583 553 HG LEU 75 HG LEU 75 -9.769 12.426 -14.157 554 1HD1 LEU 75 1HD1 LEU 75 -7.836 12.172 -12.401 555 2HD1 LEU 75 2HD1 LEU 75 -6.932 13.124 -13.578 556 3HD1 LEU 75 3HD1 LEU 75 -8.419 13.765 -12.882 557 1HD2 LEU 75 1HD2 LEU 75 -8.807 12.301 -16.484 558 2HD2 LEU 75 2HD2 LEU 75 -8.727 13.884 -15.712 559 3HD2 LEU 75 3HD2 LEU 75 -7.284 12.873 -15.802 560 H CYS 76 H CYS 76 -8.631 8.153 -14.064 561 HA CYS 76 HA CYS 76 -6.611 6.984 -15.652 562 1HB CYS 76 1HB CYS 76 -7.469 6.927 -13.072 563 2HB CYS 76 2HB CYS 76 -7.962 5.343 -13.650 564 H ASN 77 H ASN 77 -10.025 6.492 -15.198 565 HA ASN 77 HA ASN 77 -11.589 5.167 -16.207 566 1HB ASN 77 1HB ASN 77 -10.042 6.321 -18.217 567 2HB ASN 77 2HB ASN 77 -10.111 4.617 -18.658 568 2HD2 ASN 77 2HD2 ASN 77 -12.230 3.636 -18.821 569 1HD2 ASN 77 1HD2 ASN 77 -13.573 4.603 -19.317 570 H ILE 78 H ILE 78 -10.238 3.776 -14.459 571 HA ILE 78 HA ILE 78 -9.537 1.275 -15.816 572 HB ILE 78 HB ILE 78 -7.774 0.925 -14.476 573 1HG1 ILE 78 1HG1 ILE 78 -9.637 1.810 -12.361 574 2HG1 ILE 78 2HG1 ILE 78 -8.503 0.466 -12.370 575 1HG2 ILE 78 1HG2 ILE 78 -7.674 3.301 -15.373 576 2HG2 ILE 78 2HG2 ILE 78 -8.029 3.814 -13.724 577 3HG2 ILE 78 3HG2 ILE 78 -6.568 2.886 -14.063 578 1HD1 ILE 78 1HD1 ILE 78 -6.677 2.125 -11.969 579 2HD1 ILE 78 2HD1 ILE 78 -7.927 3.349 -11.753 580 3HD1 ILE 78 3HD1 ILE 78 -7.845 1.969 -10.658 581 HA PRO 79 HA PRO 79 -12.812 -0.636 -13.516 582 1HB PRO 79 1HB PRO 79 -11.520 -3.212 -13.587 583 2HB PRO 79 2HB PRO 79 -12.850 -2.634 -14.590 584 1HG PRO 79 1HG PRO 79 -10.325 -3.172 -15.532 585 2HG PRO 79 2HG PRO 79 -11.464 -2.058 -16.307 586 1HD PRO 79 1HD PRO 79 -9.133 -1.457 -14.532 587 2HD PRO 79 2HD PRO 79 -9.710 -0.589 -15.971 588 H CYS 80 H CYS 80 -12.918 -0.197 -11.380 589 HA CYS 80 HA CYS 80 -10.778 -0.393 -9.591 590 1HB CYS 80 1HB CYS 80 -13.643 -0.539 -8.703 591 2HB CYS 80 2HB CYS 80 -12.285 0.267 -7.925 592 H SER 81 H SER 81 -13.688 -2.479 -9.709 593 HA SER 81 HA SER 81 -12.850 -4.342 -7.842 594 1HB SER 81 1HB SER 81 -14.448 -5.909 -8.986 595 2HB SER 81 2HB SER 81 -15.130 -4.330 -8.596 596 HG SER 81 HG SER 81 -14.617 -3.742 -10.810 597 H ALA 82 H ALA 82 -11.790 -3.970 -11.134 598 HA ALA 82 HA ALA 82 -10.787 -6.633 -11.448 599 1HB ALA 82 1HB ALA 82 -11.376 -4.835 -13.249 600 2HB ALA 82 2HB ALA 82 -10.071 -5.987 -13.533 601 3HB ALA 82 3HB ALA 82 -9.698 -4.343 -13.016 602 H LEU 83 H LEU 83 -9.759 -4.041 -9.624 603 HA LEU 83 HA LEU 83 -6.944 -4.891 -9.692 604 1HB LEU 83 1HB LEU 83 -6.305 -2.791 -9.013 605 2HB LEU 83 2HB LEU 83 -7.724 -2.413 -9.968 606 HG LEU 83 HG LEU 83 -8.825 -2.697 -7.491 607 1HD1 LEU 83 1HD1 LEU 83 -6.394 -2.918 -6.672 608 2HD1 LEU 83 2HD1 LEU 83 -6.298 -1.182 -6.965 609 3HD1 LEU 83 3HD1 LEU 83 -7.476 -1.818 -5.819 610 1HD2 LEU 83 1HD2 LEU 83 -9.149 -0.878 -9.147 611 2HD2 LEU 83 2HD2 LEU 83 -9.008 -0.301 -7.486 612 3HD2 LEU 83 3HD2 LEU 83 -7.641 -0.152 -8.590 613 H LEU 84 H LEU 84 -9.785 -5.187 -7.931 614 HA LEU 84 HA LEU 84 -8.342 -5.784 -5.442 615 1HB LEU 84 1HB LEU 84 -11.312 -5.611 -5.561 616 2HB LEU 84 2HB LEU 84 -10.218 -5.182 -4.258 617 HG LEU 84 HG LEU 84 -10.081 -3.545 -6.728 618 1HD1 LEU 84 1HD1 LEU 84 -12.556 -4.009 -5.445 619 2HD1 LEU 84 2HD1 LEU 84 -12.027 -2.381 -5.016 620 3HD1 LEU 84 3HD1 LEU 84 -12.176 -2.841 -6.712 621 1HD2 LEU 84 1HD2 LEU 84 -8.620 -3.205 -4.744 622 2HD2 LEU 84 2HD2 LEU 84 -9.578 -1.789 -5.182 623 3HD2 LEU 84 3HD2 LEU 84 -10.058 -2.791 -3.812 624 H SER 85 H SER 85 -8.234 -7.613 -7.557 625 HA SER 85 HA SER 85 -9.749 -9.842 -6.396 626 1HB SER 85 1HB SER 85 -9.839 -10.855 -8.704 627 2HB SER 85 2HB SER 85 -10.809 -9.394 -8.517 628 HG SER 85 HG SER 85 -9.715 -8.950 -10.308 629 H SER 86 H SER 86 -7.244 -8.961 -5.726 630 HA SER 86 HA SER 86 -5.236 -9.845 -5.081 631 1HB SER 86 1HB SER 86 -5.893 -12.279 -6.760 632 2HB SER 86 2HB SER 86 -4.720 -12.167 -5.449 633 HG SER 86 HG SER 86 -6.341 -12.096 -3.987 634 H ASP 87 H ASP 87 -6.023 -8.459 -7.585 635 HA ASP 87 HA ASP 87 -3.600 -8.960 -9.170 636 1HB ASP 87 1HB ASP 87 -5.856 -9.611 -10.134 637 2HB ASP 87 2HB ASP 87 -6.233 -7.895 -10.159 638 H ILE 88 H ILE 88 -2.210 -7.292 -8.931 639 HA ILE 88 HA ILE 88 -3.239 -4.669 -8.207 640 HB ILE 88 HB ILE 88 -0.625 -4.189 -8.386 641 1HG1 ILE 88 1HG1 ILE 88 -0.534 -7.013 -7.395 642 2HG1 ILE 88 2HG1 ILE 88 -0.436 -6.709 -9.128 643 1HG2 ILE 88 1HG2 ILE 88 -2.261 -5.359 -6.185 644 2HG2 ILE 88 2HG2 ILE 88 -0.549 -5.024 -5.928 645 3HG2 ILE 88 3HG2 ILE 88 -1.645 -3.719 -6.380 646 1HD1 ILE 88 1HD1 ILE 88 1.357 -5.113 -7.414 647 2HD1 ILE 88 2HD1 ILE 88 1.701 -6.839 -7.538 648 3HD1 ILE 88 3HD1 ILE 88 1.641 -5.844 -8.993 649 H THR 89 H THR 89 -2.674 -6.300 -11.043 650 HA THR 89 HA THR 89 -1.296 -4.654 -12.720 651 HB THR 89 HB THR 89 -3.917 -5.822 -13.615 652 HG1 THR 89 HG1 THR 89 -1.842 -7.137 -12.428 653 1HG2 THR 89 1HG2 THR 89 -1.389 -4.960 -14.849 654 2HG2 THR 89 2HG2 THR 89 -2.027 -6.492 -15.447 655 3HG2 THR 89 3HG2 THR 89 -3.016 -5.034 -15.528 656 H ALA 90 H ALA 90 -4.808 -4.402 -12.097 657 HA ALA 90 HA ALA 90 -5.184 -2.090 -13.578 658 1HB ALA 90 1HB ALA 90 -6.760 -3.767 -11.859 659 2HB ALA 90 2HB ALA 90 -7.155 -2.064 -11.624 660 3HB ALA 90 3HB ALA 90 -7.260 -2.780 -13.233 661 H SER 91 H SER 91 -4.585 -2.532 -10.110 662 HA SER 91 HA SER 91 -4.846 0.183 -9.379 663 1HB SER 91 1HB SER 91 -2.978 -1.001 -7.633 664 2HB SER 91 2HB SER 91 -4.710 -0.800 -7.370 665 HG SER 91 HG SER 91 -4.886 -2.832 -8.636 666 H VAL 92 H VAL 92 -2.173 -1.691 -10.581 667 HA VAL 92 HA VAL 92 -0.253 0.360 -10.072 668 HB VAL 92 HB VAL 92 -0.052 -2.085 -11.822 669 1HG1 VAL 92 1HG1 VAL 92 2.018 0.039 -11.235 670 2HG1 VAL 92 2HG1 VAL 92 2.371 -1.518 -11.982 671 3HG1 VAL 92 3HG1 VAL 92 1.328 -0.361 -12.806 672 1HG2 VAL 92 1HG2 VAL 92 0.768 -1.377 -9.047 673 2HG2 VAL 92 2HG2 VAL 92 0.103 -2.885 -9.677 674 3HG2 VAL 92 3HG2 VAL 92 1.793 -2.474 -9.972 675 H ASN 93 H ASN 93 -1.809 -0.829 -13.060 676 HA ASN 93 HA ASN 93 -0.712 0.791 -14.874 677 1HB ASN 93 1HB ASN 93 -2.239 -0.220 -16.108 678 2HB ASN 93 2HB ASN 93 -3.072 -0.708 -14.655 679 2HD2 ASN 93 2HD2 ASN 93 -4.973 0.216 -14.139 680 1HD2 ASN 93 1HD2 ASN 93 -5.724 1.477 -15.050 681 H CYS 94 H CYS 94 -3.246 1.587 -12.603 682 HA CYS 94 HA CYS 94 -3.733 4.210 -13.487 683 1HB CYS 94 1HB CYS 94 -4.992 2.667 -11.741 684 2HB CYS 94 2HB CYS 94 -3.985 3.543 -10.590 685 H ALA 95 H ALA 95 -1.603 2.963 -10.903 686 HA ALA 95 HA ALA 95 -0.605 5.554 -10.260 687 1HB ALA 95 1HB ALA 95 -0.327 4.160 -8.498 688 2HB ALA 95 2HB ALA 95 1.291 4.128 -9.199 689 3HB ALA 95 3HB ALA 95 0.170 2.799 -9.503 690 H LYS 96 H LYS 96 0.534 2.978 -12.399 691 HA LYS 96 HA LYS 96 3.059 3.869 -13.011 692 1HB LYS 96 1HB LYS 96 1.283 2.013 -14.096 693 2HB LYS 96 2HB LYS 96 1.566 3.142 -15.414 694 1HG LYS 96 1HG LYS 96 4.085 2.789 -14.714 695 2HG LYS 96 2HG LYS 96 3.444 1.274 -14.075 696 1HD LYS 96 1HD LYS 96 2.639 2.050 -16.823 697 2HD LYS 96 2HD LYS 96 4.304 1.517 -16.584 698 1HE LYS 96 1HE LYS 96 3.257 -0.479 -17.044 699 2HE LYS 96 2HE LYS 96 3.181 -0.448 -15.283 700 1HZ LYS 96 1HZ LYS 96 0.914 0.834 -16.016 701 2HZ LYS 96 2HZ LYS 96 1.052 -0.357 -17.211 702 3HZ LYS 96 3HZ LYS 96 1.012 -0.796 -15.579 703 H LYS 97 H LYS 97 -0.065 4.938 -13.871 704 HA LYS 97 HA LYS 97 0.775 7.055 -15.671 705 1HB LYS 97 1HB LYS 97 -1.619 5.675 -15.268 706 2HB LYS 97 2HB LYS 97 -1.947 7.301 -14.684 707 1HG LYS 97 1HG LYS 97 -2.524 7.531 -16.876 708 2HG LYS 97 2HG LYS 97 -0.822 7.992 -16.957 709 1HD LYS 97 1HD LYS 97 -1.087 5.143 -17.214 710 2HD LYS 97 2HD LYS 97 -2.124 5.955 -18.389 711 1HE LYS 97 1HE LYS 97 -0.337 6.302 -19.660 712 2HE LYS 97 2HE LYS 97 0.314 7.348 -18.399 713 1HZ LYS 97 1HZ LYS 97 0.669 4.422 -18.266 714 2HZ LYS 97 2HZ LYS 97 1.716 5.378 -19.189 715 3HZ LYS 97 3HZ LYS 97 1.582 5.637 -17.522 716 H ILE 98 H ILE 98 -0.271 6.682 -12.337 717 HA ILE 98 HA ILE 98 -0.583 9.381 -11.696 718 HB ILE 98 HB ILE 98 0.198 7.077 -9.937 719 1HG1 ILE 98 1HG1 ILE 98 -2.428 8.569 -10.132 720 2HG1 ILE 98 2HG1 ILE 98 -2.086 7.106 -11.049 721 1HG2 ILE 98 1HG2 ILE 98 0.044 9.950 -9.379 722 2HG2 ILE 98 2HG2 ILE 98 -0.868 8.936 -8.263 723 3HG2 ILE 98 3HG2 ILE 98 0.859 8.663 -8.490 724 1HD1 ILE 98 1HD1 ILE 98 -1.477 6.287 -8.546 725 2HD1 ILE 98 2HD1 ILE 98 -2.760 7.450 -8.219 726 3HD1 ILE 98 3HD1 ILE 98 -3.057 6.093 -9.306 727 H VAL 99 H VAL 99 2.211 7.258 -11.338 728 HA VAL 99 HA VAL 99 3.962 9.295 -10.417 729 HB VAL 99 HB VAL 99 4.125 6.712 -10.146 730 1HG1 VAL 99 1HG1 VAL 99 4.266 6.280 -12.589 731 2HG1 VAL 99 2HG1 VAL 99 5.834 7.087 -12.600 732 3HG1 VAL 99 3HG1 VAL 99 5.612 5.603 -11.672 733 1HG2 VAL 99 1HG2 VAL 99 6.460 8.565 -10.537 734 2HG2 VAL 99 2HG2 VAL 99 5.630 8.166 -9.034 735 3HG2 VAL 99 3HG2 VAL 99 6.609 6.947 -9.850 736 H SER 100 H SER 100 3.009 8.150 -13.565 737 HA SER 100 HA SER 100 5.246 9.404 -14.916 738 1HB SER 100 1HB SER 100 4.180 7.362 -15.844 739 2HB SER 100 2HB SER 100 2.682 8.266 -16.066 740 HG SER 100 HG SER 100 3.586 9.412 -17.665 741 H ASP 101 H ASP 101 2.408 10.398 -13.513 742 HA ASP 101 HA ASP 101 1.942 12.628 -15.343 743 1HB ASP 101 1HB ASP 101 0.083 11.195 -14.260 744 2HB ASP 101 2HB ASP 101 0.412 12.126 -12.802 745 H GLY 102 H GLY 102 3.904 11.991 -12.750 746 1HA GLY 102 1HA GLY 102 3.780 14.771 -11.771 747 2HA GLY 102 2HA GLY 102 5.304 14.083 -12.306 748 H ASN 103 H ASN 103 2.645 12.915 -10.233 749 HA ASN 103 HA ASN 103 3.974 13.106 -7.798 750 1HB ASN 103 1HB ASN 103 1.894 11.063 -8.609 751 2HB ASN 103 2HB ASN 103 2.327 11.492 -6.957 752 2HD2 ASN 103 2HD2 ASN 103 1.876 13.649 -6.241 753 1HD2 ASN 103 1HD2 ASN 103 0.570 14.536 -6.944 754 H GLY 104 H GLY 104 6.078 12.387 -7.837 755 1HA GLY 104 1HA GLY 104 7.816 10.856 -8.275 756 2HA GLY 104 2HA GLY 104 6.614 9.632 -8.644 757 H MET 105 H MET 105 5.180 9.113 -6.623 758 HA MET 105 HA MET 105 5.229 7.799 -4.747 759 1HB MET 105 1HB MET 105 8.057 8.716 -4.219 760 2HB MET 105 2HB MET 105 7.233 7.325 -3.530 761 1HG MET 105 1HG MET 105 8.383 7.681 -6.261 762 2HG MET 105 2HG MET 105 8.636 6.380 -5.099 763 1HE MET 105 1HE MET 105 6.548 5.382 -4.076 764 2HE MET 105 2HE MET 105 4.947 5.403 -4.814 765 3HE MET 105 3HE MET 105 6.064 4.086 -5.170 766 H ASN 106 H ASN 106 5.257 10.938 -5.158 767 HA ASN 106 HA ASN 106 5.393 11.763 -2.377 768 1HB ASN 106 1HB ASN 106 5.401 13.083 -5.028 769 2HB ASN 106 2HB ASN 106 4.685 13.983 -3.705 770 2HD2 ASN 106 2HD2 ASN 106 7.265 14.110 -5.345 771 1HD2 ASN 106 1HD2 ASN 106 8.493 14.323 -4.148 772 H ALA 107 H ALA 107 3.055 11.162 -4.908 773 HA ALA 107 HA ALA 107 0.842 12.526 -3.891 774 1HB ALA 107 1HB ALA 107 1.253 10.253 -5.732 775 2HB ALA 107 2HB ALA 107 -0.353 10.403 -5.020 776 3HB ALA 107 3HB ALA 107 0.329 11.738 -5.949 777 H TRP 108 H TRP 108 2.113 9.331 -3.138 778 HA TRP 108 HA TRP 108 -0.028 8.741 -1.296 779 1HB TRP 108 1HB TRP 108 2.560 7.249 -1.780 780 2HB TRP 108 2HB TRP 108 1.137 6.634 -0.941 781 HD1 TRP 108 HD1 TRP 108 -0.986 5.967 -2.444 782 HE1 TRP 108 HE1 TRP 108 -1.219 5.426 -4.949 783 HE3 TRP 108 HE3 TRP 108 3.474 7.841 -4.102 784 HZ2 TRP 108 HZ2 TRP 108 0.284 5.752 -7.322 785 HZ3 TRP 108 HZ3 TRP 108 3.998 7.688 -6.500 786 HH2 TRP 108 HH2 TRP 108 2.437 6.665 -8.074 787 H VAL 109 H VAL 109 -0.102 9.355 0.732 788 HA VAL 109 HA VAL 109 1.981 10.849 1.952 789 HB VAL 109 HB VAL 109 -0.075 9.877 3.711 790 1HG1 VAL 109 1HG1 VAL 109 1.356 12.363 3.106 791 2HG1 VAL 109 2HG1 VAL 109 -0.292 12.558 3.703 792 3HG1 VAL 109 3HG1 VAL 109 0.893 11.671 4.661 793 1HG2 VAL 109 1HG2 VAL 109 -0.786 11.172 1.127 794 2HG2 VAL 109 2HG2 VAL 109 -1.612 9.876 1.992 795 3HG2 VAL 109 3HG2 VAL 109 -1.731 11.538 2.570 796 H ALA 110 H ALA 110 1.087 7.493 2.124 797 HA ALA 110 HA ALA 110 2.265 6.924 4.635 798 1HB ALA 110 1HB ALA 110 1.845 5.076 2.287 799 2HB ALA 110 2HB ALA 110 2.170 4.589 3.950 800 3HB ALA 110 3HB ALA 110 0.665 5.417 3.553 801 H TRP 111 H TRP 111 3.574 7.601 1.578 802 HA TRP 111 HA TRP 111 6.114 6.302 2.150 803 1HB TRP 111 1HB TRP 111 5.351 6.217 -0.152 804 2HB TRP 111 2HB TRP 111 5.243 7.969 -0.220 805 HD1 TRP 111 HD1 TRP 111 7.711 5.113 -0.504 806 HE1 TRP 111 HE1 TRP 111 9.994 6.035 -1.256 807 HE3 TRP 111 HE3 TRP 111 6.765 10.119 -0.045 808 HZ2 TRP 111 HZ2 TRP 111 11.230 8.545 -1.609 809 HZ3 TRP 111 HZ3 TRP 111 8.552 11.713 -0.611 810 HH2 TRP 111 HH2 TRP 111 10.738 10.940 -1.376 811 H ARG 112 H ARG 112 4.720 9.565 2.045 812 HA ARG 112 HA ARG 112 7.286 10.733 2.790 813 1HB ARG 112 1HB ARG 112 4.885 11.637 1.485 814 2HB ARG 112 2HB ARG 112 5.277 12.678 2.847 815 1HG ARG 112 1HG ARG 112 7.704 12.347 1.595 816 2HG ARG 112 2HG ARG 112 6.563 12.437 0.252 817 1HD ARG 112 1HD ARG 112 7.346 14.654 0.781 818 2HD ARG 112 2HD ARG 112 5.645 14.516 1.221 819 HE ARG 112 HE ARG 112 7.450 13.970 3.391 820 1HH1 ARG 112 1HH1 ARG 112 5.734 16.452 1.648 821 2HH1 ARG 112 2HH1 ARG 112 5.737 17.565 2.975 822 1HH2 ARG 112 1HH2 ARG 112 7.458 15.428 5.142 823 2HH2 ARG 112 2HH2 ARG 112 6.717 16.983 4.961 824 H ASN 113 H ASN 113 6.330 9.021 4.697 825 HA ASN 113 HA ASN 113 6.004 10.824 6.935 826 1HB ASN 113 1HB ASN 113 3.741 9.352 5.855 827 2HB ASN 113 2HB ASN 113 4.041 8.946 7.542 828 2HD2 ASN 113 2HD2 ASN 113 2.521 11.050 5.489 829 1HD2 ASN 113 1HD2 ASN 113 2.219 12.345 6.592 830 H ARG 114 H ARG 114 5.466 7.370 6.298 831 HA ARG 114 HA ARG 114 7.181 6.723 8.572 832 1HB ARG 114 1HB ARG 114 5.025 5.338 7.077 833 2HB ARG 114 2HB ARG 114 6.283 4.335 7.776 834 1HG ARG 114 1HG ARG 114 5.558 4.667 9.876 835 2HG ARG 114 2HG ARG 114 5.179 6.365 9.583 836 1HD ARG 114 1HD ARG 114 3.413 4.650 8.087 837 2HD ARG 114 2HD ARG 114 3.383 4.230 9.799 838 HE ARG 114 HE ARG 114 3.179 6.980 9.678 839 1HH1 ARG 114 1HH1 ARG 114 1.356 4.237 8.540 840 2HH1 ARG 114 2HH1 ARG 114 -0.168 5.057 8.612 841 1HH2 ARG 114 1HH2 ARG 114 1.177 8.067 9.775 842 2HH2 ARG 114 2HH2 ARG 114 -0.269 7.235 9.313 843 H CYS 115 H CYS 115 7.461 7.096 5.278 844 HA CYS 115 HA CYS 115 9.619 5.104 5.107 845 1HB CYS 115 1HB CYS 115 7.802 4.816 3.472 846 2HB CYS 115 2HB CYS 115 8.110 6.437 2.857 847 H LYS 116 H LYS 116 8.801 8.457 4.241 848 HA LYS 116 HA LYS 116 11.243 9.176 3.125 849 1HB LYS 116 1HB LYS 116 9.151 10.535 3.070 850 2HB LYS 116 2HB LYS 116 9.424 10.956 4.756 851 1HG LYS 116 1HG LYS 116 10.294 12.784 3.683 852 2HG LYS 116 2HG LYS 116 11.735 11.785 3.883 853 1HD LYS 116 1HD LYS 116 10.541 10.985 1.465 854 2HD LYS 116 2HD LYS 116 10.517 12.750 1.472 855 1HE LYS 116 1HE LYS 116 12.655 12.720 0.870 856 2HE LYS 116 2HE LYS 116 13.039 12.022 2.442 857 1HZ LYS 116 1HZ LYS 116 12.080 10.000 0.738 858 2HZ LYS 116 2HZ LYS 116 13.314 10.841 -0.060 859 3HZ LYS 116 3HZ LYS 116 13.607 10.142 1.451 860 H GLY 117 H GLY 117 13.012 8.399 4.246 861 1HA GLY 117 1HA GLY 117 13.371 9.411 6.991 862 2HA GLY 117 2HA GLY 117 14.615 9.669 5.779 863 H THR 118 H THR 118 13.382 6.731 5.018 864 HA THR 118 HA THR 118 15.231 5.325 6.828 865 HB THR 118 HB THR 118 13.873 3.301 6.453 866 HG1 THR 118 HG1 THR 118 12.052 3.373 5.227 867 1HG2 THR 118 1HG2 THR 118 13.223 5.510 8.032 868 2HG2 THR 118 2HG2 THR 118 11.698 4.999 7.309 869 3HG2 THR 118 3HG2 THR 118 12.659 3.853 8.243 870 H ASP 119 H ASP 119 14.948 2.861 5.243 871 HA ASP 119 HA ASP 119 16.391 3.615 2.809 872 1HB ASP 119 1HB ASP 119 17.759 2.738 4.846 873 2HB ASP 119 2HB ASP 119 17.207 1.197 4.229 874 H VAL 120 H VAL 120 15.084 3.037 1.203 875 HA VAL 120 HA VAL 120 13.301 0.808 1.374 876 HB VAL 120 HB VAL 120 12.697 1.352 -0.936 877 1HG1 VAL 120 1HG1 VAL 120 11.911 2.687 1.128 878 2HG1 VAL 120 2HG1 VAL 120 12.937 3.973 0.492 879 3HG1 VAL 120 3HG1 VAL 120 11.602 3.351 -0.478 880 1HG2 VAL 120 1HG2 VAL 120 15.280 2.654 -0.901 881 2HG2 VAL 120 2HG2 VAL 120 14.273 2.187 -2.271 882 3HG2 VAL 120 3HG2 VAL 120 14.014 3.739 -1.474 883 H GLN 121 H GLN 121 16.457 1.438 0.008 884 HA GLN 121 HA GLN 121 16.661 -0.745 -1.735 885 1HB GLN 121 1HB GLN 121 18.283 1.268 -1.303 886 2HB GLN 121 2HB GLN 121 19.010 0.191 -0.119 887 1HG GLN 121 1HG GLN 121 19.962 -1.100 -1.683 888 2HG GLN 121 2HG GLN 121 18.573 -1.000 -2.763 889 2HE2 GLN 121 2HE2 GLN 121 18.269 1.349 -3.619 890 1HE2 GLN 121 1HE2 GLN 121 19.700 2.072 -4.263 891 H ALA 122 H ALA 122 16.718 -0.496 1.693 892 HA ALA 122 HA ALA 122 17.793 -3.173 2.073 893 1HB ALA 122 1HB ALA 122 17.332 -0.821 3.768 894 2HB ALA 122 2HB ALA 122 16.997 -2.369 4.546 895 3HB ALA 122 3HB ALA 122 18.589 -2.056 3.855 896 H TRP 123 H TRP 123 14.770 -1.562 1.767 897 HA TRP 123 HA TRP 123 13.137 -3.318 3.267 898 1HB TRP 123 1HB TRP 123 12.683 -1.313 1.119 899 2HB TRP 123 2HB TRP 123 11.409 -2.493 1.400 900 HD1 TRP 123 HD1 TRP 123 11.742 0.832 2.167 901 HE1 TRP 123 HE1 TRP 123 10.868 1.495 4.496 902 HE3 TRP 123 HE3 TRP 123 11.652 -3.759 4.381 903 HZ2 TRP 123 HZ2 TRP 123 10.238 0.208 6.916 904 HZ3 TRP 123 HZ3 TRP 123 10.903 -3.966 6.694 905 HH2 TRP 123 HH2 TRP 123 10.203 -2.000 7.950 906 H ILE 124 H ILE 124 14.779 -3.714 0.301 907 HA ILE 124 HA ILE 124 13.302 -6.216 -0.191 908 HB ILE 124 HB ILE 124 13.927 -5.923 -2.618 909 1HG1 ILE 124 1HG1 ILE 124 13.987 -3.116 -2.751 910 2HG1 ILE 124 2HG1 ILE 124 15.158 -3.554 -1.512 911 1HG2 ILE 124 1HG2 ILE 124 11.910 -4.340 -1.132 912 2HG2 ILE 124 2HG2 ILE 124 12.134 -3.981 -2.844 913 3HG2 ILE 124 3HG2 ILE 124 11.693 -5.611 -2.334 914 1HD1 ILE 124 1HD1 ILE 124 15.805 -5.319 -3.443 915 2HD1 ILE 124 2HD1 ILE 124 15.230 -3.964 -4.415 916 3HD1 ILE 124 3HD1 ILE 124 16.544 -3.728 -3.263 917 H ARG 125 H ARG 125 15.959 -5.267 1.131 918 HA ARG 125 HA ARG 125 18.072 -6.420 -0.351 919 1HB ARG 125 1HB ARG 125 18.053 -4.825 1.760 920 2HB ARG 125 2HB ARG 125 18.163 -6.348 2.633 921 1HG ARG 125 1HG ARG 125 20.208 -6.908 1.487 922 2HG ARG 125 2HG ARG 125 20.075 -5.463 0.482 923 1HD ARG 125 1HD ARG 125 21.511 -4.678 2.068 924 2HD ARG 125 2HD ARG 125 19.980 -4.276 2.845 925 HE ARG 125 HE ARG 125 20.321 -6.005 4.377 926 1HH1 ARG 125 1HH1 ARG 125 22.880 -5.855 2.016 927 2HH1 ARG 125 2HH1 ARG 125 23.952 -6.866 2.926 928 1HH2 ARG 125 1HH2 ARG 125 21.727 -7.337 5.580 929 2HH2 ARG 125 2HH2 ARG 125 23.297 -7.709 4.951 930 H GLY 126 H GLY 126 17.728 -8.481 -1.043 931 1HA GLY 126 1HA GLY 126 17.443 -10.520 1.075 932 2HA GLY 126 2HA GLY 126 18.352 -10.755 -0.410 933 H CYS 127 H CYS 127 15.652 -9.068 -1.238 934 HA CYS 127 HA CYS 127 13.639 -11.013 -1.214 935 1HB CYS 127 1HB CYS 127 14.067 -8.446 -2.516 936 2HB CYS 127 2HB CYS 127 12.865 -9.484 -3.255 937 H ARG 128 H ARG 128 13.341 -12.776 -2.401 938 HA ARG 128 HA ARG 128 15.171 -13.376 -4.557 939 1HB ARG 128 1HB ARG 128 14.414 -15.046 -2.815 940 2HB ARG 128 2HB ARG 128 12.841 -15.040 -3.601 941 1HG ARG 128 1HG ARG 128 14.382 -15.545 -5.727 942 2HG ARG 128 2HG ARG 128 15.391 -16.250 -4.462 943 1HD ARG 128 1HD ARG 128 14.043 -18.026 -5.113 944 2HD ARG 128 2HD ARG 128 13.223 -17.402 -3.682 945 HE ARG 128 HE ARG 128 12.146 -16.129 -5.920 946 1HH1 ARG 128 1HH1 ARG 128 12.299 -19.315 -4.518 947 2HH1 ARG 128 2HH1 ARG 128 10.783 -19.821 -5.184 948 1HH2 ARG 128 1HH2 ARG 128 10.149 -16.788 -6.801 949 2HH2 ARG 128 2HH2 ARG 128 9.560 -18.385 -6.482 950 H LEU 129 H LEU 129 14.658 -12.037 -6.258 951 HA LEU 129 HA LEU 129 12.422 -12.857 -7.865 952 1HB LEU 129 1HB LEU 129 11.343 -10.704 -8.042 953 2HB LEU 129 2HB LEU 129 11.355 -11.225 -6.368 954 HG LEU 129 HG LEU 129 13.643 -9.708 -6.526 955 1HD1 LEU 129 1HD1 LEU 129 11.553 -8.567 -8.355 956 2HD1 LEU 129 2HD1 LEU 129 12.748 -7.557 -7.541 957 3HD1 LEU 129 3HD1 LEU 129 13.271 -8.812 -8.664 958 1HD2 LEU 129 1HD2 LEU 129 10.838 -9.052 -5.667 959 2HD2 LEU 129 2HD2 LEU 129 12.200 -9.564 -4.669 960 3HD2 LEU 129 3HD2 LEU 129 12.194 -7.957 -5.397 No H/Q in entry = 960 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -7.098 -9.428 1.992 2 H2 LYS 1 H2 LYS 1 -7.502 -8.996 0.406 3 H3 LYS 1 H3 LYS 1 -8.014 -10.480 1.036 4 HA LYS 1 HA LYS 1 -5.761 -11.270 1.170 5 1HB LYS 1 1HB LYS 1 -7.185 -11.423 -0.934 6 2HB LYS 1 2HB LYS 1 -6.247 -10.074 -1.560 7 1HG LYS 1 1HG LYS 1 -4.995 -11.719 -2.439 8 2HG LYS 1 2HG LYS 1 -4.251 -11.717 -0.838 9 1HD LYS 1 1HD LYS 1 -5.025 -13.760 -0.371 10 2HD LYS 1 2HD LYS 1 -6.645 -13.361 -0.948 11 1HE LYS 1 1HE LYS 1 -5.554 -13.558 -3.305 12 2HE LYS 1 2HE LYS 1 -4.314 -14.477 -2.453 13 1HZ LYS 1 1HZ LYS 1 -6.210 -15.853 -1.555 14 2HZ LYS 1 2HZ LYS 1 -7.194 -15.105 -2.710 15 3HZ LYS 1 3HZ LYS 1 -5.874 -16.039 -3.203 16 H VAL 2 H VAL 2 -3.922 -10.522 1.992 17 HA VAL 2 HA VAL 2 -2.850 -7.970 0.982 18 HB VAL 2 HB VAL 2 -2.343 -9.370 3.612 19 1HG1 VAL 2 1HG1 VAL 2 -0.471 -7.923 2.318 20 2HG1 VAL 2 2HG1 VAL 2 -1.322 -6.638 3.173 21 3HG1 VAL 2 3HG1 VAL 2 -0.618 -7.979 4.075 22 1HG2 VAL 2 1HG2 VAL 2 -4.382 -7.645 2.854 23 2HG2 VAL 2 2HG2 VAL 2 -3.905 -8.057 4.501 24 3HG2 VAL 2 3HG2 VAL 2 -3.235 -6.624 3.722 25 H PHE 3 H PHE 3 -0.987 -7.990 -0.160 26 HA PHE 3 HA PHE 3 0.341 -10.461 -0.723 27 1HB PHE 3 1HB PHE 3 1.101 -7.597 -1.354 28 2HB PHE 3 2HB PHE 3 1.958 -9.008 -1.955 29 HD1 PHE 3 HD1 PHE 3 -0.938 -10.453 -2.233 30 HD2 PHE 3 HD2 PHE 3 0.894 -6.902 -3.689 31 HE1 PHE 3 HE1 PHE 3 -2.405 -10.504 -4.205 32 HE2 PHE 3 HE2 PHE 3 -0.566 -6.946 -5.656 33 HZ PHE 3 HZ PHE 3 -2.218 -8.747 -5.923 34 H GLY 4 H GLY 4 2.883 -10.336 -0.604 35 1HA GLY 4 1HA GLY 4 4.439 -10.863 1.104 36 2HA GLY 4 2HA GLY 4 3.526 -9.844 2.211 37 H ARG 5 H ARG 5 6.398 -9.797 1.639 38 HA ARG 5 HA ARG 5 6.584 -6.959 1.013 39 1HB ARG 5 1HB ARG 5 8.712 -8.862 2.011 40 2HB ARG 5 2HB ARG 5 8.874 -7.117 1.874 41 1HG ARG 5 1HG ARG 5 6.833 -7.045 3.461 42 2HG ARG 5 2HG ARG 5 7.269 -8.717 3.820 43 1HD ARG 5 1HD ARG 5 9.673 -7.339 3.941 44 2HD ARG 5 2HD ARG 5 8.511 -6.245 4.688 45 HE ARG 5 HE ARG 5 8.033 -8.711 5.808 46 1HH1 ARG 5 1HH1 ARG 5 10.741 -6.530 5.580 47 2HH1 ARG 5 2HH1 ARG 5 11.433 -7.027 7.087 48 1HH2 ARG 5 1HH2 ARG 5 8.938 -9.371 7.794 49 2HH2 ARG 5 2HH2 ARG 5 10.408 -8.643 8.345 50 H CYS 6 H CYS 6 8.281 -9.941 0.025 51 HA CYS 6 HA CYS 6 9.303 -8.544 -2.294 52 1HB CYS 6 1HB CYS 6 9.639 -11.484 -1.861 53 2HB CYS 6 2HB CYS 6 10.703 -10.332 -2.661 54 H GLU 7 H GLU 7 6.908 -11.030 -1.558 55 HA GLU 7 HA GLU 7 6.359 -12.025 -4.061 56 1HB GLU 7 1HB GLU 7 5.068 -12.051 -1.594 57 2HB GLU 7 2HB GLU 7 3.897 -11.299 -2.669 58 1HG GLU 7 1HG GLU 7 3.422 -13.227 -3.665 59 2HG GLU 7 2HG GLU 7 5.123 -13.653 -3.841 60 H LEU 8 H LEU 8 5.057 -9.088 -2.592 61 HA LEU 8 HA LEU 8 3.698 -8.180 -4.897 62 1HB LEU 8 1HB LEU 8 3.174 -7.409 -2.618 63 2HB LEU 8 2HB LEU 8 4.735 -6.618 -2.527 64 HG LEU 8 HG LEU 8 2.546 -5.263 -3.075 65 1HD1 LEU 8 1HD1 LEU 8 4.908 -4.444 -2.936 66 2HD1 LEU 8 2HD1 LEU 8 5.043 -4.743 -4.668 67 3HD1 LEU 8 3HD1 LEU 8 3.875 -3.567 -4.065 68 1HD2 LEU 8 1HD2 LEU 8 2.250 -6.852 -5.139 69 2HD2 LEU 8 2HD2 LEU 8 1.866 -5.135 -5.264 70 3HD2 LEU 8 3HD2 LEU 8 3.397 -5.744 -5.893 71 H ALA 9 H ALA 9 6.965 -7.579 -3.593 72 HA ALA 9 HA ALA 9 7.682 -5.542 -5.391 73 1HB ALA 9 1HB ALA 9 9.384 -7.559 -3.955 74 2HB ALA 9 2HB ALA 9 9.038 -5.896 -3.478 75 3HB ALA 9 3HB ALA 9 10.034 -6.217 -4.899 76 H ALA 10 H ALA 10 8.280 -9.056 -5.618 77 HA ALA 10 HA ALA 10 9.598 -9.115 -8.036 78 1HB ALA 10 1HB ALA 10 7.962 -11.351 -8.119 79 2HB ALA 10 2HB ALA 10 9.564 -11.256 -7.390 80 3HB ALA 10 3HB ALA 10 8.129 -11.010 -6.396 81 H ALA 11 H ALA 11 6.152 -8.902 -7.322 82 HA ALA 11 HA ALA 11 5.245 -9.129 -9.972 83 1HB ALA 11 1HB ALA 11 3.781 -7.471 -7.983 84 2HB ALA 11 2HB ALA 11 3.921 -9.211 -7.733 85 3HB ALA 11 3HB ALA 11 3.141 -8.588 -9.188 86 H MET 12 H MET 12 6.317 -6.504 -8.054 87 HA MET 12 HA MET 12 5.607 -4.369 -9.764 88 1HB MET 12 1HB MET 12 8.079 -4.340 -8.062 89 2HB MET 12 2HB MET 12 7.041 -3.001 -8.479 90 1HG MET 12 1HG MET 12 6.148 -5.275 -6.752 91 2HG MET 12 2HG MET 12 6.880 -3.804 -6.118 92 1HE MET 12 1HE MET 12 6.092 -1.811 -8.024 93 2HE MET 12 2HE MET 12 4.397 -1.329 -8.070 94 3HE MET 12 3HE MET 12 5.324 -1.147 -6.583 95 H LYS 13 H LYS 13 8.635 -6.182 -9.406 96 HA LYS 13 HA LYS 13 10.201 -4.905 -11.277 97 1HB LYS 13 1HB LYS 13 10.956 -6.729 -9.753 98 2HB LYS 13 2HB LYS 13 10.128 -7.889 -10.784 99 1HG LYS 13 1HG LYS 13 12.224 -8.074 -11.630 100 2HG LYS 13 2HG LYS 13 11.631 -6.757 -12.644 101 1HD LYS 13 1HD LYS 13 12.662 -5.133 -11.128 102 2HD LYS 13 2HD LYS 13 13.256 -6.452 -10.118 103 1HE LYS 13 1HE LYS 13 14.844 -7.091 -11.647 104 2HE LYS 13 2HE LYS 13 13.935 -6.453 -13.017 105 1HZ LYS 13 1HZ LYS 13 14.951 -4.550 -11.040 106 2HZ LYS 13 2HZ LYS 13 16.064 -5.248 -12.106 107 3HZ LYS 13 3HZ LYS 13 14.751 -4.368 -12.709 108 H ARG 14 H ARG 14 8.007 -7.648 -11.790 109 HA ARG 14 HA ARG 14 8.391 -7.833 -14.570 110 1HB ARG 14 1HB ARG 14 5.951 -8.588 -12.947 111 2HB ARG 14 2HB ARG 14 6.307 -9.134 -14.580 112 1HG ARG 14 1HG ARG 14 8.272 -10.314 -13.781 113 2HG ARG 14 2HG ARG 14 7.975 -9.728 -12.143 114 1HD ARG 14 1HD ARG 14 6.080 -11.453 -13.732 115 2HD ARG 14 2HD ARG 14 7.197 -12.050 -12.506 116 HE ARG 14 HE ARG 14 5.456 -9.983 -11.543 117 1HH1 ARG 14 1HH1 ARG 14 5.758 -13.402 -12.140 118 2HH1 ARG 14 2HH1 ARG 14 4.571 -13.844 -10.958 119 1HH2 ARG 14 1HH2 ARG 14 3.893 -10.555 -9.985 120 2HH2 ARG 14 2HH2 ARG 14 3.510 -12.225 -9.735 121 H HIS 15 H HIS 15 6.226 -5.895 -12.567 122 HA HIS 15 HA HIS 15 4.678 -4.936 -14.753 123 1HB HIS 15 1HB HIS 15 4.864 -4.382 -11.836 124 2HB HIS 15 2HB HIS 15 4.106 -3.161 -12.854 125 HD1 HIS 15 HD1 HIS 15 2.763 -5.168 -10.668 126 HD2 HIS 15 HD2 HIS 15 2.482 -5.342 -14.809 127 HE1 HIS 15 HE1 HIS 15 0.649 -6.440 -11.144 128 HE2 HIS 15 HE2 HIS 15 0.545 -6.610 -13.655 129 H GLY 16 H GLY 16 7.857 -4.237 -13.924 130 1HA GLY 16 1HA GLY 16 7.874 -2.026 -15.691 131 2HA GLY 16 2HA GLY 16 9.243 -2.700 -14.837 132 H LEU 17 H LEU 17 7.781 -2.159 -12.141 133 HA LEU 17 HA LEU 17 7.817 0.745 -12.232 134 1HB LEU 17 1HB LEU 17 7.422 -0.842 -9.731 135 2HB LEU 17 2HB LEU 17 6.841 0.764 -10.111 136 HG LEU 17 HG LEU 17 5.655 -1.870 -10.691 137 1HD1 LEU 17 1HD1 LEU 17 4.967 0.233 -9.165 138 2HD1 LEU 17 2HD1 LEU 17 4.090 0.633 -10.642 139 3HD1 LEU 17 3HD1 LEU 17 3.798 -0.906 -9.834 140 1HD2 LEU 17 1HD2 LEU 17 5.713 0.349 -12.704 141 2HD2 LEU 17 2HD2 LEU 17 5.847 -1.391 -12.955 142 3HD2 LEU 17 3HD2 LEU 17 4.286 -0.676 -12.553 143 H ASP 18 H ASP 18 10.044 -1.567 -11.935 144 HA ASP 18 HA ASP 18 11.627 -0.550 -9.793 145 1HB ASP 18 1HB ASP 18 12.195 -2.733 -10.194 146 2HB ASP 18 2HB ASP 18 12.024 -2.579 -11.933 147 H ASN 19 H ASN 19 12.012 1.568 -10.000 148 HA ASN 19 HA ASN 19 13.068 3.477 -10.591 149 1HB ASN 19 1HB ASN 19 14.950 1.593 -10.947 150 2HB ASN 19 2HB ASN 19 14.814 2.161 -12.608 151 2HD2 ASN 19 2HD2 ASN 19 16.493 3.425 -12.967 152 1HD2 ASN 19 1HD2 ASN 19 17.020 4.719 -11.951 153 H TYR 20 H TYR 20 10.745 2.665 -11.971 154 HA TYR 20 HA TYR 20 10.974 3.197 -14.771 155 1HB TYR 20 1HB TYR 20 9.076 1.944 -13.725 156 2HB TYR 20 2HB TYR 20 8.541 3.444 -12.978 157 HD1 TYR 20 HD1 TYR 20 9.368 2.091 -16.367 158 HD2 TYR 20 HD2 TYR 20 6.890 4.648 -14.040 159 HE1 TYR 20 HE1 TYR 20 8.029 2.603 -18.365 160 HE2 TYR 20 HE2 TYR 20 5.543 5.167 -16.030 161 HH TYR 20 HH TYR 20 6.027 3.484 -19.066 162 H ARG 21 H ARG 21 9.588 5.136 -15.670 163 HA ARG 21 HA ARG 21 10.805 7.465 -15.497 164 1HB ARG 21 1HB ARG 21 7.866 6.932 -15.743 165 2HB ARG 21 2HB ARG 21 8.464 8.585 -15.748 166 1HG ARG 21 1HG ARG 21 9.924 6.847 -17.569 167 2HG ARG 21 2HG ARG 21 8.201 6.954 -17.938 168 1HD ARG 21 1HD ARG 21 9.726 9.449 -17.350 169 2HD ARG 21 2HD ARG 21 9.901 8.688 -18.931 170 HE ARG 21 HE ARG 21 7.186 9.183 -18.016 171 1HH1 ARG 21 1HH1 ARG 21 9.881 10.220 -19.966 172 2HH1 ARG 21 2HH1 ARG 21 8.920 11.245 -20.978 173 1HH2 ARG 21 1HH2 ARG 21 5.913 10.530 -19.343 174 2HH2 ARG 21 2HH2 ARG 21 6.665 11.422 -20.624 175 H GLY 22 H GLY 22 8.881 6.105 -13.020 176 1HA GLY 22 1HA GLY 22 8.076 7.023 -10.997 177 2HA GLY 22 2HA GLY 22 8.887 8.533 -11.391 178 H TYR 23 H TYR 23 9.062 5.627 -9.668 179 HA TYR 23 HA TYR 23 11.891 6.126 -9.039 180 1HB TYR 23 1HB TYR 23 9.577 5.771 -7.180 181 2HB TYR 23 2HB TYR 23 11.204 5.353 -6.655 182 HD1 TYR 23 HD1 TYR 23 9.316 8.160 -8.233 183 HD2 TYR 23 HD2 TYR 23 12.520 7.001 -5.686 184 HE1 TYR 23 HE1 TYR 23 9.730 10.522 -7.693 185 HE2 TYR 23 HE2 TYR 23 12.943 9.360 -5.137 186 HH TYR 23 HH TYR 23 11.630 11.514 -5.123 187 H SER 24 H SER 24 12.705 4.335 -7.457 188 HA SER 24 HA SER 24 12.702 1.924 -9.011 189 1HB SER 24 1HB SER 24 14.535 1.231 -7.620 190 2HB SER 24 2HB SER 24 14.768 2.932 -8.021 191 HG SER 24 HG SER 24 13.317 2.573 -5.739 192 H LEU 25 H LEU 25 12.650 -0.188 -7.946 193 HA LEU 25 HA LEU 25 10.231 -0.931 -7.025 194 1HB LEU 25 1HB LEU 25 12.920 -2.065 -6.981 195 2HB LEU 25 2HB LEU 25 11.882 -2.702 -5.719 196 HG LEU 25 HG LEU 25 10.857 -2.609 -8.513 197 1HD1 LEU 25 1HD1 LEU 25 13.214 -3.599 -8.449 198 2HD1 LEU 25 2HD1 LEU 25 12.496 -4.918 -7.525 199 3HD1 LEU 25 3HD1 LEU 25 11.933 -4.579 -9.162 200 1HD2 LEU 25 1HD2 LEU 25 10.418 -4.271 -6.055 201 2HD2 LEU 25 2HD2 LEU 25 9.253 -3.307 -6.964 202 3HD2 LEU 25 3HD2 LEU 25 9.876 -4.810 -7.644 203 H GLY 26 H GLY 26 13.028 -0.428 -4.847 204 1HA GLY 26 1HA GLY 26 13.105 0.388 -2.697 205 2HA GLY 26 2HA GLY 26 11.892 -0.849 -2.424 206 H ASN 27 H ASN 27 11.469 2.070 -4.371 207 HA ASN 27 HA ASN 27 10.165 3.567 -2.340 208 1HB ASN 27 1HB ASN 27 10.094 3.865 -5.345 209 2HB ASN 27 2HB ASN 27 9.443 5.041 -4.208 210 2HD2 ASN 27 2HD2 ASN 27 12.237 3.819 -5.748 211 1HD2 ASN 27 1HD2 ASN 27 13.379 4.909 -5.046 212 H TRP 28 H TRP 28 9.059 1.350 -4.813 213 HA TRP 28 HA TRP 28 6.277 1.901 -4.514 214 1HB TRP 28 1HB TRP 28 7.719 -0.475 -5.684 215 2HB TRP 28 2HB TRP 28 5.979 -0.199 -5.794 216 HD1 TRP 28 HD1 TRP 28 9.250 0.825 -7.319 217 HE1 TRP 28 HE1 TRP 28 8.831 2.470 -9.238 218 HE3 TRP 28 HE3 TRP 28 4.276 1.662 -6.569 219 HZ2 TRP 28 HZ2 TRP 28 6.659 3.921 -10.329 220 HZ3 TRP 28 HZ3 TRP 28 3.080 3.178 -8.089 221 HH2 TRP 28 HH2 TRP 28 4.251 4.292 -9.936 222 H VAL 29 H VAL 29 8.462 -0.574 -3.185 223 HA VAL 29 HA VAL 29 6.470 -2.048 -1.870 224 HB VAL 29 HB VAL 29 9.401 -1.776 -1.194 225 1HG1 VAL 29 1HG1 VAL 29 8.118 -2.716 0.652 226 2HG1 VAL 29 2HG1 VAL 29 7.428 -3.925 -0.431 227 3HG1 VAL 29 3HG1 VAL 29 9.157 -3.937 -0.083 228 1HG2 VAL 29 1HG2 VAL 29 8.610 -2.576 -3.548 229 2HG2 VAL 29 2HG2 VAL 29 9.878 -3.456 -2.696 230 3HG2 VAL 29 3HG2 VAL 29 8.225 -4.072 -2.697 231 H CYS 30 H CYS 30 8.693 0.456 -0.688 232 HA CYS 30 HA CYS 30 7.796 0.454 1.954 233 1HB CYS 30 1HB CYS 30 9.871 1.576 0.979 234 2HB CYS 30 2HB CYS 30 8.808 2.905 0.527 235 H ALA 31 H ALA 31 6.733 2.442 -0.819 236 HA ALA 31 HA ALA 31 4.896 4.008 0.617 237 1HB ALA 31 1HB ALA 31 4.858 3.248 -2.301 238 2HB ALA 31 2HB ALA 31 3.958 4.573 -1.563 239 3HB ALA 31 3HB ALA 31 5.721 4.615 -1.597 240 H ALA 32 H ALA 32 4.435 1.017 -1.251 241 HA ALA 32 HA ALA 32 1.639 0.866 -0.822 242 1HB ALA 32 1HB ALA 32 2.780 -0.276 -2.670 243 2HB ALA 32 2HB ALA 32 3.556 -1.356 -1.511 244 3HB ALA 32 3HB ALA 32 1.803 -1.384 -1.707 245 H LYS 33 H LYS 33 4.366 -0.833 0.725 246 HA LYS 33 HA LYS 33 3.065 -2.498 2.431 247 1HB LYS 33 1HB LYS 33 5.493 -2.431 2.221 248 2HB LYS 33 2HB LYS 33 5.535 -0.866 3.018 249 1HG LYS 33 1HG LYS 33 4.421 -2.071 4.994 250 2HG LYS 33 2HG LYS 33 4.938 -3.553 4.188 251 1HD LYS 33 1HD LYS 33 7.082 -3.251 4.768 252 2HD LYS 33 2HD LYS 33 7.038 -1.530 4.376 253 1HE LYS 33 1HE LYS 33 7.486 -1.880 6.748 254 2HE LYS 33 2HE LYS 33 5.940 -1.068 6.507 255 1HZ LYS 33 1HZ LYS 33 5.586 -3.877 6.553 256 2HZ LYS 33 2HZ LYS 33 6.407 -3.376 7.946 257 3HZ LYS 33 3HZ LYS 33 4.905 -2.701 7.560 258 H PHE 34 H PHE 34 4.051 0.826 3.253 259 HA PHE 34 HA PHE 34 2.568 0.755 5.677 260 1HB PHE 34 1HB PHE 34 4.270 2.681 4.326 261 2HB PHE 34 2HB PHE 34 3.099 3.359 5.436 262 HD1 PHE 34 HD1 PHE 34 3.079 2.419 7.815 263 HD2 PHE 34 HD2 PHE 34 6.284 1.812 5.082 264 HE1 PHE 34 HE1 PHE 34 4.574 1.886 9.694 265 HE2 PHE 34 HE2 PHE 34 7.785 1.277 6.957 266 HZ PHE 34 HZ PHE 34 6.931 1.314 9.267 267 H GLU 35 H GLU 35 1.752 1.538 2.454 268 HA GLU 35 HA GLU 35 -0.286 3.416 2.942 269 1HB GLU 35 1HB GLU 35 0.847 2.019 0.727 270 2HB GLU 35 2HB GLU 35 -0.900 1.847 0.650 271 1HG GLU 35 1HG GLU 35 -1.248 4.116 0.404 272 2HG GLU 35 2HG GLU 35 0.308 4.535 1.117 273 H SER 36 H SER 36 -0.484 -0.060 2.231 274 HA SER 36 HA SER 36 -3.068 -0.133 3.657 275 1HB SER 36 1HB SER 36 -3.736 -1.866 1.894 276 2HB SER 36 2HB SER 36 -3.639 -0.194 1.344 277 HG SER 36 HG SER 36 -1.241 -1.298 1.075 278 H ASN 37 H ASN 37 -0.095 -1.085 4.083 279 HA ASN 37 HA ASN 37 0.943 -2.842 5.123 280 1HB ASN 37 1HB ASN 37 -1.848 -3.796 5.813 281 2HB ASN 37 2HB ASN 37 -0.351 -4.200 6.648 282 2HD2 ASN 37 2HD2 ASN 37 0.776 -2.452 7.733 283 1HD2 ASN 37 1HD2 ASN 37 -0.140 -1.152 8.407 284 H PHE 38 H PHE 38 0.088 -2.920 2.381 285 HA PHE 38 HA PHE 38 0.272 -4.201 0.586 286 1HB PHE 38 1HB PHE 38 1.086 -6.214 2.657 287 2HB PHE 38 2HB PHE 38 0.888 -6.680 0.970 288 HD1 PHE 38 HD1 PHE 38 1.916 -4.542 -0.567 289 HD2 PHE 38 HD2 PHE 38 3.328 -6.026 3.162 290 HE1 PHE 38 HE1 PHE 38 4.154 -3.666 -1.077 291 HE2 PHE 38 HE2 PHE 38 5.571 -5.149 2.661 292 HZ PHE 38 HZ PHE 38 5.991 -3.975 0.537 293 H ASN 39 H ASN 39 -2.229 -3.841 2.150 294 HA ASN 39 HA ASN 39 -3.740 -6.231 1.483 295 1HB ASN 39 1HB ASN 39 -4.165 -4.916 3.592 296 2HB ASN 39 2HB ASN 39 -4.776 -3.612 2.581 297 2HD2 ASN 39 2HD2 ASN 39 -6.577 -4.263 4.207 298 1HD2 ASN 39 1HD2 ASN 39 -7.760 -5.355 3.578 299 H THR 40 H THR 40 -4.246 -6.484 -0.564 300 HA THR 40 HA THR 40 -4.383 -4.329 -2.427 301 HB THR 40 HB THR 40 -4.498 -5.935 -4.061 302 HG1 THR 40 HG1 THR 40 -6.347 -7.005 -3.890 303 1HG2 THR 40 1HG2 THR 40 -2.994 -6.700 -1.801 304 2HG2 THR 40 2HG2 THR 40 -3.721 -8.165 -2.460 305 3HG2 THR 40 3HG2 THR 40 -2.721 -7.137 -3.487 306 H GLN 41 H GLN 41 -6.504 -5.660 -0.219 307 HA GLN 41 HA GLN 41 -8.869 -4.690 -1.662 308 1HB GLN 41 1HB GLN 41 -8.342 -6.932 0.196 309 2HB GLN 41 2HB GLN 41 -9.889 -6.133 0.357 310 1HG GLN 41 1HG GLN 41 -9.114 -6.825 -2.387 311 2HG GLN 41 2HG GLN 41 -9.400 -8.190 -1.310 312 2HE2 GLN 41 2HE2 GLN 41 -10.805 -5.918 -3.329 313 1HE2 GLN 41 1HE2 GLN 41 -12.457 -6.161 -2.887 314 H ALA 42 H ALA 42 -6.746 -3.592 0.533 315 HA ALA 42 HA ALA 42 -8.372 -2.714 2.671 316 1HB ALA 42 1HB ALA 42 -5.620 -2.328 1.793 317 2HB ALA 42 2HB ALA 42 -6.285 -2.484 3.420 318 3HB ALA 42 3HB ALA 42 -6.307 -0.920 2.604 319 H THR 43 H THR 43 -9.510 -0.920 3.007 320 HA THR 43 HA THR 43 -9.624 1.098 0.861 321 HB THR 43 HB THR 43 -11.919 1.206 0.947 322 HG1 THR 43 HG1 THR 43 -11.866 0.033 3.548 323 1HG2 THR 43 1HG2 THR 43 -11.385 -1.631 1.840 324 2HG2 THR 43 2HG2 THR 43 -12.874 -1.061 1.085 325 3HG2 THR 43 3HG2 THR 43 -11.361 -1.039 0.180 326 H ASN 44 H ASN 44 -9.416 3.215 1.523 327 HA ASN 44 HA ASN 44 -9.509 3.732 4.419 328 1HB ASN 44 1HB ASN 44 -7.286 4.105 2.544 329 2HB ASN 44 2HB ASN 44 -7.651 5.538 3.501 330 2HD2 ASN 44 2HD2 ASN 44 -7.669 5.316 5.818 331 1HD2 ASN 44 1HD2 ASN 44 -6.658 4.135 6.571 332 H ARG 45 H ARG 45 -11.503 4.712 4.370 333 HA ARG 45 HA ARG 45 -12.283 6.648 2.457 334 1HB ARG 45 1HB ARG 45 -14.067 7.196 4.182 335 2HB ARG 45 2HB ARG 45 -14.025 5.537 3.602 336 1HG ARG 45 1HG ARG 45 -12.377 5.922 5.959 337 2HG ARG 45 2HG ARG 45 -14.066 6.353 6.233 338 1HD ARG 45 1HD ARG 45 -14.155 3.981 4.773 339 2HD ARG 45 2HD ARG 45 -12.851 3.748 5.936 340 HE ARG 45 HE ARG 45 -14.469 4.254 7.692 341 1HH1 ARG 45 1HH1 ARG 45 -15.710 3.455 4.536 342 2HH1 ARG 45 2HH1 ARG 45 -17.255 2.946 5.130 343 1HH2 ARG 45 1HH2 ARG 45 -16.500 3.586 8.484 344 2HH2 ARG 45 2HH2 ARG 45 -17.705 3.022 7.374 345 H ASN 46 H ASN 46 -11.844 8.748 2.308 346 HA ASN 46 HA ASN 46 -10.239 9.996 4.399 347 1HB ASN 46 1HB ASN 46 -10.986 11.278 1.784 348 2HB ASN 46 2HB ASN 46 -9.576 11.580 2.794 349 2HD2 ASN 46 2HD2 ASN 46 -8.730 8.995 3.259 350 1HD2 ASN 46 1HD2 ASN 46 -8.186 8.302 1.773 351 H THR 47 H THR 47 -10.711 12.495 4.525 352 HA THR 47 HA THR 47 -13.494 12.708 5.406 353 HB THR 47 HB THR 47 -12.717 14.764 6.599 354 HG1 THR 47 HG1 THR 47 -10.526 14.318 5.084 355 1HG2 THR 47 1HG2 THR 47 -11.421 12.105 7.146 356 2HG2 THR 47 2HG2 THR 47 -11.221 13.482 8.230 357 3HG2 THR 47 3HG2 THR 47 -12.829 12.824 7.927 358 H ASP 48 H ASP 48 -12.097 13.201 2.601 359 HA ASP 48 HA ASP 48 -13.412 15.791 2.115 360 1HB ASP 48 1HB ASP 48 -11.878 16.213 0.341 361 2HB ASP 48 2HB ASP 48 -10.925 15.677 1.720 362 H GLY 49 H GLY 49 -13.855 12.564 1.737 363 1HA GLY 49 1HA GLY 49 -15.540 13.000 -0.649 364 2HA GLY 49 2HA GLY 49 -15.947 11.904 0.659 365 H SER 50 H SER 50 -12.692 12.049 -0.587 366 HA SER 50 HA SER 50 -13.073 9.880 -2.439 367 1HB SER 50 1HB SER 50 -10.419 9.965 -2.280 368 2HB SER 50 2HB SER 50 -11.330 11.169 -3.190 369 HG SER 50 HG SER 50 -9.706 11.559 -1.137 370 H THR 51 H THR 51 -11.081 8.159 -2.164 371 HA THR 51 HA THR 51 -10.789 7.167 0.515 372 HB THR 51 HB THR 51 -12.324 5.409 -1.395 373 HG1 THR 51 HG1 THR 51 -14.149 5.929 -0.037 374 1HG2 THR 51 1HG2 THR 51 -10.932 4.839 0.935 375 2HG2 THR 51 2HG2 THR 51 -12.616 4.927 1.449 376 3HG2 THR 51 3HG2 THR 51 -12.144 3.819 0.162 377 H ASP 52 H ASP 52 -9.519 5.088 0.521 378 HA ASP 52 HA ASP 52 -7.804 4.934 -1.873 379 1HB ASP 52 1HB ASP 52 -7.082 4.348 1.009 380 2HB ASP 52 2HB ASP 52 -5.995 4.215 -0.371 381 H TYR 53 H TYR 53 -9.077 3.371 -2.871 382 HA TYR 53 HA TYR 53 -9.427 0.828 -1.479 383 1HB TYR 53 1HB TYR 53 -10.438 1.749 -4.174 384 2HB TYR 53 2HB TYR 53 -10.793 0.194 -3.438 385 HD1 TYR 53 HD1 TYR 53 -11.965 0.277 -1.110 386 HD2 TYR 53 HD2 TYR 53 -11.894 3.520 -3.859 387 HE1 TYR 53 HE1 TYR 53 -13.956 1.230 -0.027 388 HE2 TYR 53 HE2 TYR 53 -13.888 4.480 -2.789 389 HH TYR 53 HH TYR 53 -15.731 2.739 -0.438 390 H GLY 54 H GLY 54 -7.009 0.382 -1.577 391 1HA GLY 54 1HA GLY 54 -5.837 -0.006 -4.145 392 2HA GLY 54 2HA GLY 54 -6.418 -1.523 -3.480 393 H ILE 55 H ILE 55 -4.143 -2.151 -3.594 394 HA ILE 55 HA ILE 55 -2.862 -1.923 -1.065 395 HB ILE 55 HB ILE 55 -2.556 -3.868 -2.656 396 1HG1 ILE 55 1HG1 ILE 55 0.074 -2.583 -1.920 397 2HG1 ILE 55 2HG1 ILE 55 -1.010 -3.279 -0.719 398 1HG2 ILE 55 1HG2 ILE 55 -0.866 -1.855 -4.129 399 2HG2 ILE 55 2HG2 ILE 55 -0.809 -3.596 -4.406 400 3HG2 ILE 55 3HG2 ILE 55 -2.292 -2.700 -4.731 401 1HD1 ILE 55 1HD1 ILE 55 -0.293 -4.996 -3.009 402 2HD1 ILE 55 2HD1 ILE 55 0.982 -4.637 -1.843 403 3HD1 ILE 55 3HD1 ILE 55 -0.515 -5.400 -1.307 404 H LEU 56 H LEU 56 -2.840 -0.160 -4.004 405 HA LEU 56 HA LEU 56 -0.616 1.531 -3.085 406 1HB LEU 56 1HB LEU 56 -1.188 0.423 -5.636 407 2HB LEU 56 2HB LEU 56 -1.468 2.148 -5.762 408 HG LEU 56 HG LEU 56 0.771 1.886 -6.416 409 1HD1 LEU 56 1HD1 LEU 56 0.204 3.389 -4.242 410 2HD1 LEU 56 2HD1 LEU 56 1.491 2.365 -3.607 411 3HD1 LEU 56 3HD1 LEU 56 1.775 3.349 -5.042 412 1HD2 LEU 56 1HD2 LEU 56 0.937 -0.107 -4.174 413 2HD2 LEU 56 2HD2 LEU 56 1.244 -0.346 -5.894 414 3HD2 LEU 56 3HD2 LEU 56 2.380 0.584 -4.917 415 H GLN 57 H GLN 57 -3.761 1.322 -2.710 416 HA GLN 57 HA GLN 57 -5.379 2.755 -2.089 417 1HB GLN 57 1HB GLN 57 -3.255 4.861 -2.507 418 2HB GLN 57 2HB GLN 57 -4.831 5.158 -1.785 419 1HG GLN 57 1HG GLN 57 -4.168 3.333 -0.101 420 2HG GLN 57 2HG GLN 57 -2.528 3.589 -0.697 421 2HE2 GLN 57 2HE2 GLN 57 -2.262 6.188 -1.008 422 1HE2 GLN 57 1HE2 GLN 57 -2.533 7.047 0.466 423 H ILE 58 H ILE 58 -6.348 2.007 -4.209 424 HA ILE 58 HA ILE 58 -6.164 3.902 -6.378 425 HB ILE 58 HB ILE 58 -8.148 1.648 -6.196 426 1HG1 ILE 58 1HG1 ILE 58 -6.054 0.599 -5.677 427 2HG1 ILE 58 2HG1 ILE 58 -6.407 0.255 -7.367 428 1HG2 ILE 58 1HG2 ILE 58 -6.808 3.102 -8.467 429 2HG2 ILE 58 2HG2 ILE 58 -7.776 1.642 -8.674 430 3HG2 ILE 58 3HG2 ILE 58 -8.519 3.109 -8.038 431 1HD1 ILE 58 1HD1 ILE 58 -4.889 2.637 -7.284 432 2HD1 ILE 58 2HD1 ILE 58 -4.102 1.458 -6.235 433 3HD1 ILE 58 3HD1 ILE 58 -4.427 1.059 -7.922 434 H ASN 59 H ASN 59 -7.042 5.824 -5.740 435 HA ASN 59 HA ASN 59 -9.383 6.088 -4.212 436 1HB ASN 59 1HB ASN 59 -7.683 7.876 -4.527 437 2HB ASN 59 2HB ASN 59 -8.207 8.049 -6.199 438 2HD2 ASN 59 2HD2 ASN 59 -8.315 10.276 -4.916 439 1HD2 ASN 59 1HD2 ASN 59 -9.911 10.693 -4.401 440 H SER 60 H SER 60 -11.159 4.999 -4.942 441 HA SER 60 HA SER 60 -11.855 4.717 -7.653 442 1HB SER 60 1HB SER 60 -13.740 3.594 -6.892 443 2HB SER 60 2HB SER 60 -12.644 3.411 -5.523 444 HG SER 60 HG SER 60 -13.693 5.287 -4.615 445 H ARG 61 H ARG 61 -12.153 7.398 -5.555 446 HA ARG 61 HA ARG 61 -14.319 8.546 -7.166 447 1HB ARG 61 1HB ARG 61 -14.173 8.531 -4.530 448 2HB ARG 61 2HB ARG 61 -13.151 9.937 -4.794 449 1HG ARG 61 1HG ARG 61 -15.152 10.706 -6.310 450 2HG ARG 61 2HG ARG 61 -16.059 9.583 -5.296 451 1HD ARG 61 1HD ARG 61 -16.205 11.756 -4.309 452 2HD ARG 61 2HD ARG 61 -15.155 10.764 -3.298 453 HE ARG 61 HE ARG 61 -13.315 11.948 -4.707 454 1HH1 ARG 61 1HH1 ARG 61 -16.279 13.352 -3.529 455 2HH1 ARG 61 2HH1 ARG 61 -15.625 14.952 -3.414 456 1HH2 ARG 61 1HH2 ARG 61 -12.447 14.050 -4.559 457 2HH2 ARG 61 2HH2 ARG 61 -13.448 15.349 -4.000 458 H TRP 62 H TRP 62 -11.472 8.221 -8.006 459 HA TRP 62 HA TRP 62 -11.170 10.858 -9.116 460 1HB TRP 62 1HB TRP 62 -10.043 10.706 -6.727 461 2HB TRP 62 2HB TRP 62 -8.737 9.969 -7.649 462 HD1 TRP 62 HD1 TRP 62 -7.272 11.541 -9.167 463 HE1 TRP 62 HE1 TRP 62 -7.126 14.096 -9.439 464 HE3 TRP 62 HE3 TRP 62 -11.542 12.868 -6.688 465 HZ2 TRP 62 HZ2 TRP 62 -8.621 16.373 -8.700 466 HZ3 TRP 62 HZ3 TRP 62 -12.112 15.255 -6.516 467 HH2 TRP 62 HH2 TRP 62 -10.681 16.970 -7.500 468 H TRP 63 H TRP 63 -10.489 7.504 -9.189 469 HA TRP 63 HA TRP 63 -9.002 7.931 -11.683 470 1HB TRP 63 1HB TRP 63 -8.256 5.885 -9.589 471 2HB TRP 63 2HB TRP 63 -7.511 6.049 -11.172 472 HD1 TRP 63 HD1 TRP 63 -6.676 6.796 -7.794 473 HE1 TRP 63 HE1 TRP 63 -5.043 8.778 -7.606 474 HE3 TRP 63 HE3 TRP 63 -7.281 8.773 -12.454 475 HZ2 TRP 63 HZ2 TRP 63 -4.131 10.906 -9.232 476 HZ3 TRP 63 HZ3 TRP 63 -6.021 10.780 -13.062 477 HH2 TRP 63 HH2 TRP 63 -4.467 11.830 -11.488 478 H CYS 64 H CYS 64 -11.549 6.301 -10.093 479 HA CYS 64 HA CYS 64 -11.876 4.677 -12.506 480 1HB CYS 64 1HB CYS 64 -11.984 2.636 -11.447 481 2HB CYS 64 2HB CYS 64 -10.821 3.442 -10.401 482 H ASN 65 H ASN 65 -13.964 3.988 -12.988 483 HA ASN 65 HA ASN 65 -16.032 5.692 -11.829 484 1HB ASN 65 1HB ASN 65 -15.660 5.241 -14.360 485 2HB ASN 65 2HB ASN 65 -16.462 3.706 -14.049 486 2HD2 ASN 65 2HD2 ASN 65 -16.977 6.684 -15.171 487 1HD2 ASN 65 1HD2 ASN 65 -18.644 6.891 -14.769 488 H ASP 66 H ASP 66 -16.858 4.919 -9.980 489 HA ASP 66 HA ASP 66 -17.288 2.037 -9.709 490 1HB ASP 66 1HB ASP 66 -17.404 2.373 -7.358 491 2HB ASP 66 2HB ASP 66 -16.054 3.342 -7.940 492 H GLY 67 H GLY 67 -19.034 4.949 -10.254 493 1HA GLY 67 1HA GLY 67 -21.474 3.547 -10.602 494 2HA GLY 67 2HA GLY 67 -21.267 5.289 -10.650 495 H ARG 68 H ARG 68 -20.111 3.954 -7.758 496 HA ARG 68 HA ARG 68 -22.685 4.210 -6.400 497 1HB ARG 68 1HB ARG 68 -20.189 2.764 -5.899 498 2HB ARG 68 2HB ARG 68 -20.839 3.549 -4.466 499 1HG ARG 68 1HG ARG 68 -22.484 2.062 -4.271 500 2HG ARG 68 2HG ARG 68 -22.870 2.136 -5.991 501 1HD ARG 68 1HD ARG 68 -20.348 0.819 -5.590 502 2HD ARG 68 2HD ARG 68 -21.596 0.057 -4.606 503 HE ARG 68 HE ARG 68 -21.698 0.360 -7.534 504 1HH1 ARG 68 1HH1 ARG 68 -22.670 -1.228 -4.590 505 2HH1 ARG 68 2HH1 ARG 68 -23.552 -2.478 -5.403 506 1HH2 ARG 68 1HH2 ARG 68 -22.857 -1.280 -8.614 507 2HH2 ARG 68 2HH2 ARG 68 -23.657 -2.508 -7.690 508 H THR 69 H THR 69 -20.115 6.154 -7.187 509 HA THR 69 HA THR 69 -20.730 7.978 -4.961 510 HB THR 69 HB THR 69 -17.976 7.809 -6.169 511 HG1 THR 69 HG1 THR 69 -18.681 6.640 -3.685 512 1HG2 THR 69 1HG2 THR 69 -18.753 9.852 -4.895 513 2HG2 THR 69 2HG2 THR 69 -18.843 8.821 -3.466 514 3HG2 THR 69 3HG2 THR 69 -17.297 9.073 -4.276 515 HA PRO 70 HA PRO 70 -21.823 10.214 -8.813 516 1HB PRO 70 1HB PRO 70 -22.834 12.059 -6.707 517 2HB PRO 70 2HB PRO 70 -23.635 11.470 -8.168 518 1HG PRO 70 1HG PRO 70 -24.302 10.513 -5.775 519 2HG PRO 70 2HG PRO 70 -24.222 9.450 -7.192 520 1HD PRO 70 1HD PRO 70 -22.289 9.750 -4.934 521 2HD PRO 70 2HD PRO 70 -22.776 8.289 -5.818 522 H GLY 71 H GLY 71 -19.911 10.998 -9.568 523 1HA GLY 71 1HA GLY 71 -18.576 13.112 -8.011 524 2HA GLY 71 2HA GLY 71 -19.017 13.407 -9.686 525 H SER 72 H SER 72 -18.288 10.244 -9.643 526 HA SER 72 HA SER 72 -15.511 10.096 -9.391 527 1HB SER 72 1HB SER 72 -17.129 8.458 -11.346 528 2HB SER 72 2HB SER 72 -15.651 7.993 -10.505 529 HG SER 72 HG SER 72 -17.356 8.625 -8.632 530 H ARG 73 H ARG 73 -13.969 11.075 -10.509 531 HA ARG 73 HA ARG 73 -14.487 12.503 -12.909 532 1HB ARG 73 1HB ARG 73 -12.291 12.189 -11.039 533 2HB ARG 73 2HB ARG 73 -11.717 12.217 -12.700 534 1HG ARG 73 1HG ARG 73 -12.248 14.387 -12.993 535 2HG ARG 73 2HG ARG 73 -13.693 14.283 -11.985 536 1HD ARG 73 1HD ARG 73 -12.534 14.678 -10.044 537 2HD ARG 73 2HD ARG 73 -11.024 14.038 -10.689 538 HE ARG 73 HE ARG 73 -10.652 16.102 -11.786 539 1HH1 ARG 73 1HH1 ARG 73 -13.496 16.095 -9.772 540 2HH1 ARG 73 2HH1 ARG 73 -13.603 17.822 -9.696 541 1HH2 ARG 73 1HH2 ARG 73 -10.786 18.376 -11.692 542 2HH2 ARG 73 2HH2 ARG 73 -12.064 19.119 -10.788 543 H ASN 74 H ASN 74 -12.840 9.454 -12.193 544 HA ASN 74 HA ASN 74 -12.287 7.663 -13.506 545 1HB ASN 74 1HB ASN 74 -14.697 8.324 -14.432 546 2HB ASN 74 2HB ASN 74 -13.769 8.768 -15.861 547 2HD2 ASN 74 2HD2 ASN 74 -14.535 7.167 -17.162 548 1HD2 ASN 74 1HD2 ASN 74 -14.189 5.492 -16.917 549 H LEU 75 H LEU 75 -10.618 9.891 -13.346 550 HA LEU 75 HA LEU 75 -9.593 10.930 -15.714 551 1HB LEU 75 1HB LEU 75 -8.698 10.459 -12.947 552 2HB LEU 75 2HB LEU 75 -7.429 10.726 -14.121 553 HG LEU 75 HG LEU 75 -9.750 12.590 -13.542 554 1HD1 LEU 75 1HD1 LEU 75 -6.851 12.708 -12.728 555 2HD1 LEU 75 2HD1 LEU 75 -7.970 14.067 -12.605 556 3HD1 LEU 75 3HD1 LEU 75 -8.263 12.597 -11.675 557 1HD2 LEU 75 1HD2 LEU 75 -7.745 12.508 -15.672 558 2HD2 LEU 75 2HD2 LEU 75 -9.281 13.371 -15.589 559 3HD2 LEU 75 3HD2 LEU 75 -7.840 14.058 -14.837 560 H CYS 76 H CYS 76 -9.072 8.001 -14.032 561 HA CYS 76 HA CYS 76 -6.944 7.117 -15.799 562 1HB CYS 76 1HB CYS 76 -7.057 6.996 -13.238 563 2HB CYS 76 2HB CYS 76 -8.145 5.643 -13.493 564 H ASN 77 H ASN 77 -10.208 7.149 -15.690 565 HA ASN 77 HA ASN 77 -11.950 5.815 -16.485 566 1HB ASN 77 1HB ASN 77 -10.355 6.744 -18.518 567 2HB ASN 77 2HB ASN 77 -10.369 5.014 -18.845 568 2HD2 ASN 77 2HD2 ASN 77 -11.975 7.901 -19.278 569 1HD2 ASN 77 1HD2 ASN 77 -13.493 7.282 -19.822 570 H ILE 78 H ILE 78 -10.785 4.467 -14.641 571 HA ILE 78 HA ILE 78 -10.130 1.857 -15.708 572 HB ILE 78 HB ILE 78 -8.690 3.499 -14.128 573 1HG1 ILE 78 1HG1 ILE 78 -7.832 0.865 -13.728 574 2HG1 ILE 78 2HG1 ILE 78 -8.584 0.967 -15.316 575 1HG2 ILE 78 1HG2 ILE 78 -9.973 1.418 -12.394 576 2HG2 ILE 78 2HG2 ILE 78 -8.435 2.186 -11.997 577 3HG2 ILE 78 3HG2 ILE 78 -9.900 3.160 -12.128 578 1HD1 ILE 78 1HD1 ILE 78 -7.086 3.153 -15.443 579 2HD1 ILE 78 2HD1 ILE 78 -6.105 2.222 -14.311 580 3HD1 ILE 78 3HD1 ILE 78 -6.482 1.563 -15.902 581 HA PRO 79 HA PRO 79 -13.423 0.147 -13.224 582 1HB PRO 79 1HB PRO 79 -12.897 -2.446 -13.734 583 2HB PRO 79 2HB PRO 79 -13.504 -1.361 -14.988 584 1HG PRO 79 1HG PRO 79 -10.832 -2.539 -14.676 585 2HG PRO 79 2HG PRO 79 -11.588 -1.838 -16.114 586 1HD PRO 79 1HD PRO 79 -9.706 -0.615 -14.272 587 2HD PRO 79 2HD PRO 79 -10.343 0.031 -15.798 588 H CYS 80 H CYS 80 -13.158 0.365 -11.033 589 HA CYS 80 HA CYS 80 -10.873 -0.311 -9.606 590 1HB CYS 80 1HB CYS 80 -13.667 0.379 -8.899 591 2HB CYS 80 2HB CYS 80 -12.693 -0.386 -7.646 592 H SER 81 H SER 81 -13.863 -2.228 -10.007 593 HA SER 81 HA SER 81 -13.159 -4.322 -8.311 594 1HB SER 81 1HB SER 81 -14.764 -5.684 -9.629 595 2HB SER 81 2HB SER 81 -15.410 -4.097 -9.209 596 HG SER 81 HG SER 81 -15.834 -4.156 -11.303 597 H ALA 82 H ALA 82 -11.917 -3.534 -11.453 598 HA ALA 82 HA ALA 82 -10.912 -6.175 -12.013 599 1HB ALA 82 1HB ALA 82 -11.011 -3.597 -13.387 600 2HB ALA 82 2HB ALA 82 -9.537 -4.518 -13.689 601 3HB ALA 82 3HB ALA 82 -11.112 -5.235 -14.033 602 H LEU 83 H LEU 83 -9.848 -3.482 -10.226 603 HA LEU 83 HA LEU 83 -7.067 -4.423 -10.256 604 1HB LEU 83 1HB LEU 83 -6.758 -2.288 -8.774 605 2HB LEU 83 2HB LEU 83 -6.867 -2.163 -10.515 606 HG LEU 83 HG LEU 83 -9.490 -1.870 -9.739 607 1HD1 LEU 83 1HD1 LEU 83 -8.203 -1.643 -7.380 608 2HD1 LEU 83 2HD1 LEU 83 -8.166 0.031 -7.932 609 3HD1 LEU 83 3HD1 LEU 83 -9.708 -0.810 -7.769 610 1HD2 LEU 83 1HD2 LEU 83 -7.383 -0.316 -10.895 611 2HD2 LEU 83 2HD2 LEU 83 -9.123 -0.206 -11.157 612 3HD2 LEU 83 3HD2 LEU 83 -8.370 0.700 -9.845 613 H LEU 84 H LEU 84 -9.846 -4.874 -8.540 614 HA LEU 84 HA LEU 84 -8.370 -5.486 -6.068 615 1HB LEU 84 1HB LEU 84 -11.337 -5.056 -6.238 616 2HB LEU 84 2HB LEU 84 -10.306 -4.996 -4.820 617 HG LEU 84 HG LEU 84 -9.884 -3.035 -7.026 618 1HD1 LEU 84 1HD1 LEU 84 -12.057 -2.941 -4.949 619 2HD1 LEU 84 2HD1 LEU 84 -11.430 -1.495 -5.744 620 3HD1 LEU 84 3HD1 LEU 84 -12.204 -2.762 -6.698 621 1HD2 LEU 84 1HD2 LEU 84 -8.619 -3.506 -4.646 622 2HD2 LEU 84 2HD2 LEU 84 -8.560 -1.996 -5.555 623 3HD2 LEU 84 3HD2 LEU 84 -9.716 -2.187 -4.237 624 H SER 85 H SER 85 -8.375 -7.243 -8.209 625 HA SER 85 HA SER 85 -10.091 -9.409 -7.198 626 1HB SER 85 1HB SER 85 -10.121 -8.397 -9.768 627 2HB SER 85 2HB SER 85 -9.077 -9.810 -9.917 628 HG SER 85 HG SER 85 -11.599 -9.904 -8.636 629 H SER 86 H SER 86 -7.648 -8.744 -6.159 630 HA SER 86 HA SER 86 -5.792 -9.760 -5.297 631 1HB SER 86 1HB SER 86 -7.247 -12.001 -6.525 632 2HB SER 86 2HB SER 86 -5.501 -12.240 -6.478 633 HG SER 86 HG SER 86 -7.327 -11.983 -4.377 634 H ASP 87 H ASP 87 -6.090 -8.311 -7.799 635 HA ASP 87 HA ASP 87 -3.558 -9.052 -9.094 636 1HB ASP 87 1HB ASP 87 -5.702 -9.635 -10.319 637 2HB ASP 87 2HB ASP 87 -5.983 -7.906 -10.456 638 H ILE 88 H ILE 88 -2.097 -7.406 -9.004 639 HA ILE 88 HA ILE 88 -3.060 -4.745 -8.326 640 HB ILE 88 HB ILE 88 -0.441 -4.345 -8.404 641 1HG1 ILE 88 1HG1 ILE 88 -0.336 -7.132 -7.384 642 2HG1 ILE 88 2HG1 ILE 88 -0.381 -6.930 -9.132 643 1HG2 ILE 88 1HG2 ILE 88 -2.145 -5.545 -6.268 644 2HG2 ILE 88 2HG2 ILE 88 -0.440 -5.212 -5.966 645 3HG2 ILE 88 3HG2 ILE 88 -1.528 -3.900 -6.420 646 1HD1 ILE 88 1HD1 ILE 88 1.538 -5.173 -7.826 647 2HD1 ILE 88 2HD1 ILE 88 1.863 -6.889 -7.572 648 3HD1 ILE 88 3HD1 ILE 88 1.738 -6.248 -9.210 649 H THR 89 H THR 89 -2.339 -6.483 -11.099 650 HA THR 89 HA THR 89 -0.892 -4.870 -12.747 651 HB THR 89 HB THR 89 -3.448 -6.117 -13.731 652 HG1 THR 89 HG1 THR 89 -1.552 -7.902 -13.935 653 1HG2 THR 89 1HG2 THR 89 -0.713 -5.632 -14.900 654 2HG2 THR 89 2HG2 THR 89 -1.904 -6.693 -15.654 655 3HG2 THR 89 3HG2 THR 89 -2.259 -4.978 -15.442 656 H ALA 90 H ALA 90 -4.435 -4.642 -12.327 657 HA ALA 90 HA ALA 90 -4.741 -2.373 -13.890 658 1HB ALA 90 1HB ALA 90 -6.424 -3.808 -11.926 659 2HB ALA 90 2HB ALA 90 -6.906 -2.178 -12.396 660 3HB ALA 90 3HB ALA 90 -6.732 -3.432 -13.622 661 H SER 91 H SER 91 -4.310 -2.740 -10.390 662 HA SER 91 HA SER 91 -4.649 -0.024 -9.711 663 1HB SER 91 1HB SER 91 -3.162 -2.271 -8.346 664 2HB SER 91 2HB SER 91 -3.329 -0.663 -7.640 665 HG SER 91 HG SER 91 -4.960 -2.115 -6.926 666 H VAL 92 H VAL 92 -1.907 -1.853 -10.812 667 HA VAL 92 HA VAL 92 -0.051 0.258 -10.272 668 HB VAL 92 HB VAL 92 0.291 -2.230 -11.941 669 1HG1 VAL 92 1HG1 VAL 92 2.174 0.057 -11.397 670 2HG1 VAL 92 2HG1 VAL 92 2.759 -1.550 -11.826 671 3HG1 VAL 92 3HG1 VAL 92 1.734 -0.656 -12.948 672 1HG2 VAL 92 1HG2 VAL 92 0.551 -1.626 -9.136 673 2HG2 VAL 92 2HG2 VAL 92 0.680 -3.179 -9.962 674 3HG2 VAL 92 3HG2 VAL 92 2.099 -2.144 -9.803 675 H ASN 93 H ASN 93 -1.457 -1.057 -13.284 676 HA ASN 93 HA ASN 93 -0.303 0.532 -15.091 677 1HB ASN 93 1HB ASN 93 -1.744 -0.508 -16.398 678 2HB ASN 93 2HB ASN 93 -2.560 -1.083 -14.968 679 2HD2 ASN 93 2HD2 ASN 93 -2.404 1.642 -17.193 680 1HD2 ASN 93 1HD2 ASN 93 -4.067 2.087 -17.050 681 H CYS 94 H CYS 94 -2.978 1.346 -12.982 682 HA CYS 94 HA CYS 94 -3.441 3.939 -13.997 683 1HB CYS 94 1HB CYS 94 -4.916 2.499 -12.431 684 2HB CYS 94 2HB CYS 94 -3.935 3.174 -11.134 685 H ALA 95 H ALA 95 -1.502 2.763 -11.233 686 HA ALA 95 HA ALA 95 -0.580 5.359 -10.506 687 1HB ALA 95 1HB ALA 95 -0.098 4.175 -8.718 688 2HB ALA 95 2HB ALA 95 1.347 3.647 -9.581 689 3HB ALA 95 3HB ALA 95 -0.113 2.655 -9.615 690 H LYS 96 H LYS 96 0.720 2.825 -12.600 691 HA LYS 96 HA LYS 96 3.246 3.791 -13.093 692 1HB LYS 96 1HB LYS 96 2.141 1.686 -14.048 693 2HB LYS 96 2HB LYS 96 1.429 2.735 -15.265 694 1HG LYS 96 1HG LYS 96 3.858 3.476 -15.721 695 2HG LYS 96 2HG LYS 96 4.297 2.004 -14.852 696 1HD LYS 96 1HD LYS 96 2.365 1.119 -16.585 697 2HD LYS 96 2HD LYS 96 3.202 2.344 -17.540 698 1HE LYS 96 1HE LYS 96 4.921 0.978 -17.871 699 2HE LYS 96 2HE LYS 96 5.116 0.743 -16.134 700 1HZ LYS 96 1HZ LYS 96 3.261 -0.925 -16.324 701 2HZ LYS 96 2HZ LYS 96 3.439 -0.827 -18.003 702 3HZ LYS 96 3HZ LYS 96 4.724 -1.371 -17.047 703 H LYS 97 H LYS 97 0.125 4.723 -14.126 704 HA LYS 97 HA LYS 97 0.972 6.836 -15.925 705 1HB LYS 97 1HB LYS 97 -1.182 5.475 -16.165 706 2HB LYS 97 2HB LYS 97 -1.811 6.432 -14.832 707 1HG LYS 97 1HG LYS 97 -1.150 8.463 -16.283 708 2HG LYS 97 2HG LYS 97 -1.109 7.295 -17.605 709 1HD LYS 97 1HD LYS 97 -3.407 6.717 -17.251 710 2HD LYS 97 2HD LYS 97 -3.471 7.679 -15.773 711 1HE LYS 97 1HE LYS 97 -2.649 9.535 -17.574 712 2HE LYS 97 2HE LYS 97 -3.667 8.509 -18.584 713 1HZ LYS 97 1HZ LYS 97 -4.674 9.398 -15.972 714 2HZ LYS 97 2HZ LYS 97 -4.694 10.481 -17.271 715 3HZ LYS 97 3HZ LYS 97 -5.531 9.015 -17.379 716 H ILE 98 H ILE 98 -0.128 6.461 -12.621 717 HA ILE 98 HA ILE 98 -0.596 9.145 -12.004 718 HB ILE 98 HB ILE 98 0.304 6.900 -10.218 719 1HG1 ILE 98 1HG1 ILE 98 -2.392 8.242 -10.538 720 2HG1 ILE 98 2HG1 ILE 98 -1.948 6.706 -11.276 721 1HG2 ILE 98 1HG2 ILE 98 0.179 9.736 -9.701 722 2HG2 ILE 98 2HG2 ILE 98 -0.953 8.856 -8.673 723 3HG2 ILE 98 3HG2 ILE 98 0.759 8.431 -8.664 724 1HD1 ILE 98 1HD1 ILE 98 -1.465 5.941 -8.870 725 2HD1 ILE 98 2HD1 ILE 98 -2.417 7.347 -8.395 726 3HD1 ILE 98 3HD1 ILE 98 -3.142 6.087 -9.393 727 H VAL 99 H VAL 99 2.279 7.165 -11.573 728 HA VAL 99 HA VAL 99 3.933 9.306 -10.701 729 HB VAL 99 HB VAL 99 4.194 6.753 -10.308 730 1HG1 VAL 99 1HG1 VAL 99 4.401 6.262 -12.758 731 2HG1 VAL 99 2HG1 VAL 99 5.974 7.057 -12.715 732 3HG1 VAL 99 3HG1 VAL 99 5.694 5.603 -11.758 733 1HG2 VAL 99 1HG2 VAL 99 6.370 8.772 -10.680 734 2HG2 VAL 99 2HG2 VAL 99 5.643 8.180 -9.186 735 3HG2 VAL 99 3HG2 VAL 99 6.728 7.141 -10.111 736 H SER 100 H SER 100 3.040 8.063 -13.809 737 HA SER 100 HA SER 100 5.281 9.309 -15.172 738 1HB SER 100 1HB SER 100 3.016 7.556 -15.943 739 2HB SER 100 2HB SER 100 3.581 8.679 -17.178 740 HG SER 100 HG SER 100 5.411 7.097 -15.738 741 H ASP 101 H ASP 101 2.385 10.286 -13.870 742 HA ASP 101 HA ASP 101 1.928 12.429 -15.809 743 1HB ASP 101 1HB ASP 101 0.131 10.903 -14.512 744 2HB ASP 101 2HB ASP 101 0.255 12.232 -13.364 745 H GLY 102 H GLY 102 3.763 11.918 -13.095 746 1HA GLY 102 1HA GLY 102 3.682 14.788 -12.394 747 2HA GLY 102 2HA GLY 102 5.179 13.877 -12.520 748 H ASN 103 H ASN 103 2.331 12.467 -11.092 749 HA ASN 103 HA ASN 103 3.037 13.156 -8.393 750 1HB ASN 103 1HB ASN 103 0.934 11.436 -9.663 751 2HB ASN 103 2HB ASN 103 1.238 11.311 -7.934 752 2HD2 ASN 103 2HD2 ASN 103 1.537 13.675 -6.971 753 1HD2 ASN 103 1HD2 ASN 103 0.224 14.735 -7.339 754 H GLY 104 H GLY 104 5.044 12.370 -7.897 755 1HA GLY 104 1HA GLY 104 6.719 10.822 -7.502 756 2HA GLY 104 2HA GLY 104 5.835 9.674 -8.495 757 H MET 105 H MET 105 7.190 9.309 -5.898 758 HA MET 105 HA MET 105 5.200 7.724 -4.620 759 1HB MET 105 1HB MET 105 7.748 8.461 -3.244 760 2HB MET 105 2HB MET 105 6.918 6.913 -3.297 761 1HG MET 105 1HG MET 105 8.461 8.150 -5.565 762 2HG MET 105 2HG MET 105 9.040 6.868 -4.503 763 1HE MET 105 1HE MET 105 6.967 5.160 -3.907 764 2HE MET 105 2HE MET 105 5.484 5.508 -4.797 765 3HE MET 105 3HE MET 105 6.440 4.080 -5.197 766 H ASN 106 H ASN 106 5.953 10.943 -4.619 767 HA ASN 106 HA ASN 106 5.492 11.627 -1.907 768 1HB ASN 106 1HB ASN 106 5.853 13.024 -4.497 769 2HB ASN 106 2HB ASN 106 5.020 13.907 -3.236 770 2HD2 ASN 106 2HD2 ASN 106 7.934 12.023 -3.857 771 1HD2 ASN 106 1HD2 ASN 106 8.958 12.919 -2.792 772 H ALA 107 H ALA 107 3.473 11.240 -4.758 773 HA ALA 107 HA ALA 107 1.175 12.578 -3.978 774 1HB ALA 107 1HB ALA 107 1.887 10.850 -6.039 775 2HB ALA 107 2HB ALA 107 0.355 11.704 -5.856 776 3HB ALA 107 3HB ALA 107 0.527 10.060 -5.242 777 H TRP 108 H TRP 108 2.187 9.268 -3.251 778 HA TRP 108 HA TRP 108 -0.104 8.771 -1.579 779 1HB TRP 108 1HB TRP 108 2.436 7.169 -1.973 780 2HB TRP 108 2HB TRP 108 1.002 6.610 -1.114 781 HD1 TRP 108 HD1 TRP 108 -1.221 6.154 -2.626 782 HE1 TRP 108 HE1 TRP 108 -1.466 5.523 -5.110 783 HE3 TRP 108 HE3 TRP 108 3.441 7.465 -4.259 784 HZ2 TRP 108 HZ2 TRP 108 0.112 5.577 -7.467 785 HZ3 TRP 108 HZ3 TRP 108 3.993 7.147 -6.634 786 HH2 TRP 108 HH2 TRP 108 2.366 6.221 -8.200 787 H VAL 109 H VAL 109 -0.295 9.207 0.503 788 HA VAL 109 HA VAL 109 1.665 10.716 1.877 789 HB VAL 109 HB VAL 109 -0.414 9.574 3.504 790 1HG1 VAL 109 1HG1 VAL 109 1.173 11.609 3.861 791 2HG1 VAL 109 2HG1 VAL 109 -0.065 12.472 2.947 792 3HG1 VAL 109 3HG1 VAL 109 -0.487 11.663 4.457 793 1HG2 VAL 109 1HG2 VAL 109 -1.079 11.016 0.978 794 2HG2 VAL 109 2HG2 VAL 109 -1.839 9.583 1.672 795 3HG2 VAL 109 3HG2 VAL 109 -2.117 11.168 2.395 796 H ALA 110 H ALA 110 0.941 7.308 1.903 797 HA ALA 110 HA ALA 110 2.090 6.762 4.443 798 1HB ALA 110 1HB ALA 110 2.315 4.566 2.565 799 2HB ALA 110 2HB ALA 110 1.379 4.686 4.055 800 3HB ALA 110 3HB ALA 110 0.710 5.296 2.542 801 H TRP 111 H TRP 111 3.397 7.359 1.326 802 HA TRP 111 HA TRP 111 5.978 6.223 2.007 803 1HB TRP 111 1HB TRP 111 5.191 6.058 -0.316 804 2HB TRP 111 2HB TRP 111 5.161 7.810 -0.436 805 HD1 TRP 111 HD1 TRP 111 7.504 4.847 -0.596 806 HE1 TRP 111 HE1 TRP 111 9.848 5.651 -1.290 807 HE3 TRP 111 HE3 TRP 111 6.776 9.896 -0.234 808 HZ2 TRP 111 HZ2 TRP 111 11.209 8.098 -1.638 809 HZ3 TRP 111 HZ3 TRP 111 8.650 11.398 -0.765 810 HH2 TRP 111 HH2 TRP 111 10.821 10.516 -1.451 811 H ARG 112 H ARG 112 4.425 9.409 1.822 812 HA ARG 112 HA ARG 112 6.939 10.711 2.505 813 1HB ARG 112 1HB ARG 112 4.315 11.534 1.457 814 2HB ARG 112 2HB ARG 112 5.072 12.664 2.570 815 1HG ARG 112 1HG ARG 112 6.819 11.612 0.450 816 2HG ARG 112 2HG ARG 112 5.499 12.650 -0.089 817 1HD ARG 112 1HD ARG 112 7.414 13.392 2.114 818 2HD ARG 112 2HD ARG 112 7.656 13.833 0.424 819 HE ARG 112 HE ARG 112 5.702 15.209 0.558 820 1HH1 ARG 112 1HH1 ARG 112 6.799 13.917 3.603 821 2HH1 ARG 112 2HH1 ARG 112 5.964 15.102 4.551 822 1HH2 ARG 112 1HH2 ARG 112 4.601 16.773 1.799 823 2HH2 ARG 112 2HH2 ARG 112 4.714 16.724 3.527 824 H ASN 113 H ASN 113 6.140 8.975 4.453 825 HA ASN 113 HA ASN 113 5.719 10.785 6.672 826 1HB ASN 113 1HB ASN 113 3.574 9.145 5.661 827 2HB ASN 113 2HB ASN 113 3.996 8.646 7.297 828 2HD2 ASN 113 2HD2 ASN 113 1.887 9.417 7.873 829 1HD2 ASN 113 1HD2 ASN 113 1.635 11.101 8.161 830 H ARG 114 H ARG 114 5.584 7.295 6.027 831 HA ARG 114 HA ARG 114 7.529 6.886 8.190 832 1HB ARG 114 1HB ARG 114 5.283 5.297 7.083 833 2HB ARG 114 2HB ARG 114 6.677 4.407 7.670 834 1HG ARG 114 1HG ARG 114 5.564 6.516 9.427 835 2HG ARG 114 2HG ARG 114 4.628 5.033 9.228 836 1HD ARG 114 1HD ARG 114 7.088 4.005 9.642 837 2HD ARG 114 2HD ARG 114 7.204 5.487 10.588 838 HE ARG 114 HE ARG 114 4.854 4.444 11.401 839 1HH1 ARG 114 1HH1 ARG 114 8.060 3.112 11.108 840 2HH1 ARG 114 2HH1 ARG 114 7.854 1.994 12.416 841 1HH2 ARG 114 1HH2 ARG 114 4.574 2.977 13.123 842 2HH2 ARG 114 2HH2 ARG 114 5.873 1.918 13.560 843 H CYS 115 H CYS 115 7.642 7.320 4.995 844 HA CYS 115 HA CYS 115 9.707 5.255 4.601 845 1HB CYS 115 1HB CYS 115 7.787 6.515 2.663 846 2HB CYS 115 2HB CYS 115 9.245 5.694 2.116 847 H LYS 116 H LYS 116 8.861 8.611 3.709 848 HA LYS 116 HA LYS 116 11.364 9.242 2.600 849 1HB LYS 116 1HB LYS 116 9.308 10.570 2.242 850 2HB LYS 116 2HB LYS 116 9.376 11.101 3.918 851 1HG LYS 116 1HG LYS 116 10.835 12.705 3.442 852 2HG LYS 116 2HG LYS 116 11.867 11.600 2.533 853 1HD LYS 116 1HD LYS 116 10.462 11.865 0.570 854 2HD LYS 116 2HD LYS 116 9.359 12.904 1.476 855 1HE LYS 116 1HE LYS 116 10.803 14.276 0.125 856 2HE LYS 116 2HE LYS 116 11.215 14.501 1.825 857 1HZ LYS 116 1HZ LYS 116 12.941 12.651 1.323 858 2HZ LYS 116 2HZ LYS 116 12.733 13.128 -0.286 859 3HZ LYS 116 3HZ LYS 116 13.268 14.246 0.865 860 H GLY 117 H GLY 117 12.986 8.472 3.982 861 1HA GLY 117 1HA GLY 117 13.162 9.717 6.634 862 2HA GLY 117 2HA GLY 117 14.469 9.988 5.493 863 H THR 118 H THR 118 13.350 6.944 4.860 864 HA THR 118 HA THR 118 15.241 5.734 6.766 865 HB THR 118 HB THR 118 13.932 3.647 6.563 866 HG1 THR 118 HG1 THR 118 12.877 4.830 4.483 867 1HG2 THR 118 1HG2 THR 118 13.179 6.023 7.920 868 2HG2 THR 118 2HG2 THR 118 11.704 5.217 7.385 869 3HG2 THR 118 3HG2 THR 118 12.867 4.350 8.386 870 H ASP 119 H ASP 119 14.873 3.146 5.285 871 HA ASP 119 HA ASP 119 16.337 3.764 2.829 872 1HB ASP 119 1HB ASP 119 17.709 2.991 4.903 873 2HB ASP 119 2HB ASP 119 17.149 1.421 4.372 874 H VAL 120 H VAL 120 14.995 3.120 1.274 875 HA VAL 120 HA VAL 120 13.225 0.894 1.564 876 HB VAL 120 HB VAL 120 12.664 1.316 -0.817 877 1HG1 VAL 120 1HG1 VAL 120 11.844 2.675 1.302 878 2HG1 VAL 120 2HG1 VAL 120 12.635 4.002 0.451 879 3HG1 VAL 120 3HG1 VAL 120 11.334 3.104 -0.331 880 1HG2 VAL 120 1HG2 VAL 120 15.010 2.129 -1.368 881 2HG2 VAL 120 2HG2 VAL 120 13.671 3.030 -2.080 882 3HG2 VAL 120 3HG2 VAL 120 14.522 3.676 -0.676 883 H GLN 121 H GLN 121 16.365 1.475 0.151 884 HA GLN 121 HA GLN 121 16.567 -0.780 -1.499 885 1HB GLN 121 1HB GLN 121 18.191 1.283 -1.063 886 2HB GLN 121 2HB GLN 121 18.959 0.142 0.029 887 1HG GLN 121 1HG GLN 121 20.143 -0.211 -1.894 888 2HG GLN 121 2HG GLN 121 18.895 -1.449 -2.029 889 2HE2 GLN 121 2HE2 GLN 121 19.978 1.666 -3.170 890 1HE2 GLN 121 1HE2 GLN 121 19.027 1.689 -4.612 891 H ALA 122 H ALA 122 16.633 -0.380 1.911 892 HA ALA 122 HA ALA 122 17.725 -3.031 2.409 893 1HB ALA 122 1HB ALA 122 18.400 -1.171 3.862 894 2HB ALA 122 2HB ALA 122 17.571 -2.438 4.767 895 3HB ALA 122 3HB ALA 122 16.721 -0.950 4.352 896 H TRP 123 H TRP 123 14.694 -1.450 2.034 897 HA TRP 123 HA TRP 123 13.067 -3.143 3.612 898 1HB TRP 123 1HB TRP 123 12.606 -1.247 1.366 899 2HB TRP 123 2HB TRP 123 11.339 -2.421 1.702 900 HD1 TRP 123 HD1 TRP 123 11.612 0.933 2.293 901 HE1 TRP 123 HE1 TRP 123 10.741 1.709 4.587 902 HE3 TRP 123 HE3 TRP 123 11.628 -3.528 4.760 903 HZ2 TRP 123 HZ2 TRP 123 10.152 0.546 7.080 904 HZ3 TRP 123 HZ3 TRP 123 10.898 -3.619 7.088 905 HH2 TRP 123 HH2 TRP 123 10.167 -1.600 8.236 906 H ILE 124 H ILE 124 14.735 -3.679 0.689 907 HA ILE 124 HA ILE 124 13.265 -6.204 0.299 908 HB ILE 124 HB ILE 124 13.922 -6.033 -2.129 909 1HG1 ILE 124 1HG1 ILE 124 13.987 -3.170 -2.245 910 2HG1 ILE 124 2HG1 ILE 124 15.267 -3.723 -1.169 911 1HG2 ILE 124 1HG2 ILE 124 11.766 -4.855 -0.707 912 2HG2 ILE 124 2HG2 ILE 124 12.164 -3.810 -2.070 913 3HG2 ILE 124 3HG2 ILE 124 11.779 -5.509 -2.345 914 1HD1 ILE 124 1HD1 ILE 124 15.098 -5.250 -3.643 915 2HD1 ILE 124 2HD1 ILE 124 15.433 -3.536 -3.887 916 3HD1 ILE 124 3HD1 ILE 124 16.489 -4.504 -2.857 917 H ARG 125 H ARG 125 15.946 -5.104 1.538 918 HA ARG 125 HA ARG 125 18.053 -6.374 0.162 919 1HB ARG 125 1HB ARG 125 17.782 -4.786 2.456 920 2HB ARG 125 2HB ARG 125 18.498 -6.289 3.019 921 1HG ARG 125 1HG ARG 125 19.684 -5.141 0.580 922 2HG ARG 125 2HG ARG 125 19.914 -4.216 2.066 923 1HD ARG 125 1HD ARG 125 21.228 -5.805 3.015 924 2HD ARG 125 2HD ARG 125 20.380 -7.133 2.223 925 HE ARG 125 HE ARG 125 22.553 -5.531 1.087 926 1HH1 ARG 125 1HH1 ARG 125 20.307 -8.181 0.814 927 2HH1 ARG 125 2HH1 ARG 125 21.134 -8.912 -0.520 928 1HH2 ARG 125 1HH2 ARG 125 23.648 -6.487 -0.668 929 2HH2 ARG 125 2HH2 ARG 125 23.033 -7.950 -1.363 930 H GLY 126 H GLY 126 17.708 -8.483 -0.371 931 1HA GLY 126 1HA GLY 126 17.385 -10.354 1.893 932 2HA GLY 126 2HA GLY 126 18.366 -10.695 0.476 933 H CYS 127 H CYS 127 15.671 -9.101 -0.573 934 HA CYS 127 HA CYS 127 13.676 -11.049 -0.499 935 1HB CYS 127 1HB CYS 127 14.171 -8.605 -2.000 936 2HB CYS 127 2HB CYS 127 12.998 -9.705 -2.696 937 H ARG 128 H ARG 128 12.742 -11.623 -2.914 938 HA ARG 128 HA ARG 128 14.906 -12.847 -4.460 939 1HB ARG 128 1HB ARG 128 13.840 -14.443 -2.718 940 2HB ARG 128 2HB ARG 128 12.454 -14.452 -3.799 941 1HG ARG 128 1HG ARG 128 13.598 -15.551 -5.476 942 2HG ARG 128 2HG ARG 128 15.178 -15.056 -4.863 943 1HD ARG 128 1HD ARG 128 15.291 -16.770 -3.399 944 2HD ARG 128 2HD ARG 128 13.567 -16.710 -3.035 945 HE ARG 128 HE ARG 128 13.160 -18.042 -4.974 946 1HH1 ARG 128 1HH1 ARG 128 16.526 -17.660 -4.159 947 2HH1 ARG 128 2HH1 ARG 128 17.036 -19.043 -5.070 948 1HH2 ARG 128 1HH2 ARG 128 13.822 -19.864 -6.176 949 2HH2 ARG 128 2HH2 ARG 128 15.499 -20.294 -6.217 950 H LEU 129 H LEU 129 14.470 -11.302 -6.063 951 HA LEU 129 HA LEU 129 12.082 -11.907 -7.654 952 1HB LEU 129 1HB LEU 129 11.843 -9.477 -8.161 953 2HB LEU 129 2HB LEU 129 11.461 -9.914 -6.507 954 HG LEU 129 HG LEU 129 14.225 -9.180 -6.659 955 1HD1 LEU 129 1HD1 LEU 129 13.184 -7.934 -8.692 956 2HD1 LEU 129 2HD1 LEU 129 12.481 -6.893 -7.453 957 3HD1 LEU 129 3HD1 LEU 129 14.231 -7.065 -7.570 958 1HD2 LEU 129 1HD2 LEU 129 11.900 -8.752 -5.045 959 2HD2 LEU 129 2HD2 LEU 129 13.602 -8.576 -4.618 960 3HD2 LEU 129 3HD2 LEU 129 12.724 -7.217 -5.320 No H/Q in entry = 960 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -7.636 -8.593 0.887 2 H2 LYS 1 H2 LYS 1 -7.528 -8.861 -0.779 3 H3 LYS 1 H3 LYS 1 -8.326 -9.980 0.207 4 HA LYS 1 HA LYS 1 -6.315 -10.618 1.273 5 1HB LYS 1 1HB LYS 1 -7.017 -11.259 -1.236 6 2HB LYS 1 2HB LYS 1 -5.448 -10.538 -1.569 7 1HG LYS 1 1HG LYS 1 -4.342 -12.293 -0.753 8 2HG LYS 1 2HG LYS 1 -5.401 -12.422 0.654 9 1HD LYS 1 1HD LYS 1 -6.172 -14.292 -0.303 10 2HD LYS 1 2HD LYS 1 -7.028 -13.221 -1.413 11 1HE LYS 1 1HE LYS 1 -5.928 -14.391 -2.991 12 2HE LYS 1 2HE LYS 1 -4.598 -13.306 -2.586 13 1HZ LYS 1 1HZ LYS 1 -5.030 -15.996 -1.400 14 2HZ LYS 1 2HZ LYS 1 -3.915 -15.638 -2.621 15 3HZ LYS 1 3HZ LYS 1 -3.726 -14.963 -1.082 16 H VAL 2 H VAL 2 -4.219 -10.226 1.859 17 HA VAL 2 HA VAL 2 -3.077 -7.669 0.945 18 HB VAL 2 HB VAL 2 -2.720 -9.110 3.576 19 1HG1 VAL 2 1HG1 VAL 2 -0.742 -7.716 2.388 20 2HG1 VAL 2 2HG1 VAL 2 -1.591 -6.410 3.214 21 3HG1 VAL 2 3HG1 VAL 2 -0.976 -7.781 4.135 22 1HG2 VAL 2 1HG2 VAL 2 -4.604 -7.204 2.695 23 2HG2 VAL 2 2HG2 VAL 2 -4.362 -7.823 4.329 24 3HG2 VAL 2 3HG2 VAL 2 -3.503 -6.376 3.796 25 H PHE 3 H PHE 3 -1.164 -7.700 -0.115 26 HA PHE 3 HA PHE 3 0.119 -10.178 -0.714 27 1HB PHE 3 1HB PHE 3 0.984 -7.318 -1.186 28 2HB PHE 3 2HB PHE 3 1.828 -8.724 -1.813 29 HD1 PHE 3 HD1 PHE 3 -1.188 -9.992 -2.196 30 HD2 PHE 3 HD2 PHE 3 0.988 -6.606 -3.567 31 HE1 PHE 3 HE1 PHE 3 -2.578 -9.920 -4.224 32 HE2 PHE 3 HE2 PHE 3 -0.390 -6.528 -5.591 33 HZ PHE 3 HZ PHE 3 -2.175 -8.186 -5.929 34 H GLY 4 H GLY 4 2.688 -10.052 -0.546 35 1HA GLY 4 1HA GLY 4 4.118 -10.775 1.242 36 2HA GLY 4 2HA GLY 4 3.265 -9.670 2.314 37 H ARG 5 H ARG 5 6.161 -9.915 1.697 38 HA ARG 5 HA ARG 5 6.604 -7.090 1.143 39 1HB ARG 5 1HB ARG 5 8.527 -9.223 2.091 40 2HB ARG 5 2HB ARG 5 8.899 -7.511 1.943 41 1HG ARG 5 1HG ARG 5 7.797 -6.966 3.836 42 2HG ARG 5 2HG ARG 5 6.559 -8.200 3.602 43 1HD ARG 5 1HD ARG 5 9.192 -9.336 4.074 44 2HD ARG 5 2HD ARG 5 8.657 -8.300 5.398 45 HE ARG 5 HE ARG 5 6.978 -9.813 5.881 46 1HH1 ARG 5 1HH1 ARG 5 8.565 -10.679 2.902 47 2HH1 ARG 5 2HH1 ARG 5 7.835 -12.248 2.820 48 1HH2 ARG 5 1HH2 ARG 5 6.014 -11.876 5.781 49 2HH2 ARG 5 2HH2 ARG 5 6.385 -12.929 4.456 50 H CYS 6 H CYS 6 8.183 -10.130 0.117 51 HA CYS 6 HA CYS 6 9.244 -8.779 -2.196 52 1HB CYS 6 1HB CYS 6 9.351 -11.740 -1.669 53 2HB CYS 6 2HB CYS 6 10.413 -10.762 -2.678 54 H GLU 7 H GLU 7 6.738 -11.198 -1.551 55 HA GLU 7 HA GLU 7 6.102 -12.038 -4.079 56 1HB GLU 7 1HB GLU 7 4.112 -11.191 -1.958 57 2HB GLU 7 2HB GLU 7 3.763 -12.234 -3.330 58 1HG GLU 7 1HG GLU 7 5.894 -12.970 -1.369 59 2HG GLU 7 2HG GLU 7 4.195 -13.284 -1.015 60 H LEU 8 H LEU 8 4.994 -9.089 -2.487 61 HA LEU 8 HA LEU 8 3.648 -8.024 -4.737 62 1HB LEU 8 1HB LEU 8 3.146 -7.311 -2.453 63 2HB LEU 8 2HB LEU 8 4.761 -6.656 -2.285 64 HG LEU 8 HG LEU 8 2.712 -5.092 -2.779 65 1HD1 LEU 8 1HD1 LEU 8 5.130 -4.481 -2.587 66 2HD1 LEU 8 2HD1 LEU 8 5.259 -4.706 -4.332 67 3HD1 LEU 8 3HD1 LEU 8 4.188 -3.466 -3.679 68 1HD2 LEU 8 1HD2 LEU 8 2.354 -6.561 -4.952 69 2HD2 LEU 8 2HD2 LEU 8 2.011 -4.831 -4.932 70 3HD2 LEU 8 3HD2 LEU 8 3.526 -5.423 -5.617 71 H ALA 9 H ALA 9 6.961 -7.670 -3.468 72 HA ALA 9 HA ALA 9 7.746 -5.585 -5.193 73 1HB ALA 9 1HB ALA 9 8.942 -6.987 -3.151 74 2HB ALA 9 2HB ALA 9 9.904 -7.411 -4.568 75 3HB ALA 9 3HB ALA 9 9.683 -5.718 -4.127 76 H ALA 10 H ALA 10 8.240 -9.116 -5.521 77 HA ALA 10 HA ALA 10 9.538 -9.148 -7.942 78 1HB ALA 10 1HB ALA 10 8.378 -11.383 -8.281 79 2HB ALA 10 2HB ALA 10 9.303 -11.201 -6.791 80 3HB ALA 10 3HB ALA 10 7.545 -11.069 -6.760 81 H ALA 11 H ALA 11 6.101 -8.814 -7.225 82 HA ALA 11 HA ALA 11 5.193 -8.926 -9.880 83 1HB ALA 11 1HB ALA 11 3.864 -9.016 -7.645 84 2HB ALA 11 2HB ALA 11 3.111 -8.327 -9.083 85 3HB ALA 11 3HB ALA 11 3.790 -7.266 -7.849 86 H MET 12 H MET 12 6.441 -6.425 -7.917 87 HA MET 12 HA MET 12 5.796 -4.208 -9.566 88 1HB MET 12 1HB MET 12 8.293 -4.279 -7.909 89 2HB MET 12 2HB MET 12 7.238 -2.926 -8.235 90 1HG MET 12 1HG MET 12 6.356 -5.264 -6.599 91 2HG MET 12 2HG MET 12 7.178 -3.871 -5.902 92 1HE MET 12 1HE MET 12 6.425 -1.440 -6.668 93 2HE MET 12 2HE MET 12 5.635 -1.697 -8.223 94 3HE MET 12 3HE MET 12 4.738 -0.973 -6.888 95 H LYS 13 H LYS 13 8.738 -6.172 -9.271 96 HA LYS 13 HA LYS 13 10.368 -4.920 -11.096 97 1HB LYS 13 1HB LYS 13 10.970 -6.878 -9.639 98 2HB LYS 13 2HB LYS 13 10.135 -7.918 -10.785 99 1HG LYS 13 1HG LYS 13 12.183 -8.141 -11.673 100 2HG LYS 13 2HG LYS 13 11.794 -6.608 -12.455 101 1HD LYS 13 1HD LYS 13 12.803 -5.523 -10.349 102 2HD LYS 13 2HD LYS 13 13.506 -7.113 -10.044 103 1HE LYS 13 1HE LYS 13 13.838 -6.014 -12.769 104 2HE LYS 13 2HE LYS 13 14.734 -5.210 -11.481 105 1HZ LYS 13 1HZ LYS 13 15.455 -7.572 -10.856 106 2HZ LYS 13 2HZ LYS 13 14.947 -8.001 -12.411 107 3HZ LYS 13 3HZ LYS 13 16.172 -6.853 -12.210 108 H ARG 14 H ARG 14 8.029 -7.517 -11.734 109 HA ARG 14 HA ARG 14 8.410 -7.579 -14.522 110 1HB ARG 14 1HB ARG 14 6.809 -8.928 -12.627 111 2HB ARG 14 2HB ARG 14 5.704 -8.257 -13.817 112 1HG ARG 14 1HG ARG 14 7.566 -9.307 -15.449 113 2HG ARG 14 2HG ARG 14 7.693 -10.409 -14.078 114 1HD ARG 14 1HD ARG 14 5.571 -11.214 -14.350 115 2HD ARG 14 2HD ARG 14 4.979 -9.717 -15.067 116 HE ARG 14 HE ARG 14 6.287 -10.413 -17.093 117 1HH1 ARG 14 1HH1 ARG 14 5.090 -12.750 -14.803 118 2HH1 ARG 14 2HH1 ARG 14 5.009 -14.035 -15.961 119 1HH2 ARG 14 1HH2 ARG 14 6.185 -12.099 -18.625 120 2HH2 ARG 14 2HH2 ARG 14 5.632 -13.665 -18.134 121 H HIS 15 H HIS 15 6.388 -5.622 -12.416 122 HA HIS 15 HA HIS 15 4.834 -4.509 -14.529 123 1HB HIS 15 1HB HIS 15 5.129 -4.023 -11.601 124 2HB HIS 15 2HB HIS 15 4.352 -2.788 -12.584 125 HD1 HIS 15 HD1 HIS 15 2.900 -4.514 -10.379 126 HD2 HIS 15 HD2 HIS 15 2.795 -5.215 -14.474 127 HE1 HIS 15 HE1 HIS 15 0.795 -5.827 -10.783 128 HE2 HIS 15 HE2 HIS 15 0.710 -6.169 -13.278 129 H GLY 16 H GLY 16 8.062 -4.004 -13.761 130 1HA GLY 16 1HA GLY 16 8.200 -1.780 -15.473 131 2HA GLY 16 2HA GLY 16 9.520 -2.489 -14.574 132 H LEU 17 H LEU 17 8.040 -1.911 -11.918 133 HA LEU 17 HA LEU 17 8.048 0.988 -11.992 134 1HB LEU 17 1HB LEU 17 7.803 -0.623 -9.484 135 2HB LEU 17 2HB LEU 17 7.159 0.967 -9.829 136 HG LEU 17 HG LEU 17 6.029 -1.698 -10.383 137 1HD1 LEU 17 1HD1 LEU 17 5.311 0.259 -8.765 138 2HD1 LEU 17 2HD1 LEU 17 4.476 0.834 -10.209 139 3HD1 LEU 17 3HD1 LEU 17 4.112 -0.764 -9.556 140 1HD2 LEU 17 1HD2 LEU 17 5.681 0.604 -12.305 141 2HD2 LEU 17 2HD2 LEU 17 6.325 -0.996 -12.670 142 3HD2 LEU 17 3HD2 LEU 17 4.627 -0.808 -12.237 143 H ASP 18 H ASP 18 10.345 -1.196 -11.942 144 HA ASP 18 HA ASP 18 12.037 -0.279 -9.836 145 1HB ASP 18 1HB ASP 18 12.644 -2.407 -10.432 146 2HB ASP 18 2HB ASP 18 12.336 -2.139 -12.139 147 H ASN 19 H ASN 19 12.181 1.911 -9.993 148 HA ASN 19 HA ASN 19 13.097 3.905 -10.530 149 1HB ASN 19 1HB ASN 19 15.104 2.157 -10.953 150 2HB ASN 19 2HB ASN 19 14.928 2.791 -12.587 151 2HD2 ASN 19 2HD2 ASN 19 16.142 3.332 -9.472 152 1HD2 ASN 19 1HD2 ASN 19 16.726 4.939 -9.716 153 H TYR 20 H TYR 20 10.805 3.070 -11.894 154 HA TYR 20 HA TYR 20 10.972 3.615 -14.692 155 1HB TYR 20 1HB TYR 20 9.107 2.355 -13.575 156 2HB TYR 20 2HB TYR 20 8.570 3.870 -12.861 157 HD1 TYR 20 HD1 TYR 20 9.374 2.449 -16.229 158 HD2 TYR 20 HD2 TYR 20 6.884 5.018 -13.927 159 HE1 TYR 20 HE1 TYR 20 8.002 2.895 -18.220 160 HE2 TYR 20 HE2 TYR 20 5.505 5.472 -15.911 161 HH TYR 20 HH TYR 20 4.984 4.257 -18.108 162 H ARG 21 H ARG 21 9.489 5.558 -15.512 163 HA ARG 21 HA ARG 21 10.721 7.890 -15.378 164 1HB ARG 21 1HB ARG 21 7.889 7.180 -15.743 165 2HB ARG 21 2HB ARG 21 8.167 8.856 -15.293 166 1HG ARG 21 1HG ARG 21 10.012 8.564 -17.239 167 2HG ARG 21 2HG ARG 21 8.770 7.443 -17.797 168 1HD ARG 21 1HD ARG 21 7.739 9.215 -18.670 169 2HD ARG 21 2HD ARG 21 7.335 9.669 -17.014 170 HE ARG 21 HE ARG 21 8.894 11.354 -17.121 171 1HH1 ARG 21 1HH1 ARG 21 9.305 9.213 -19.839 172 2HH1 ARG 21 2HH1 ARG 21 10.424 10.254 -20.654 173 1HH2 ARG 21 1HH2 ARG 21 10.365 12.731 -18.188 174 2HH2 ARG 21 2HH2 ARG 21 11.026 12.253 -19.715 175 H GLY 22 H GLY 22 8.884 6.491 -12.851 176 1HA GLY 22 1HA GLY 22 8.162 7.384 -10.783 177 2HA GLY 22 2HA GLY 22 8.999 8.882 -11.169 178 H TYR 23 H TYR 23 9.120 6.011 -9.435 179 HA TYR 23 HA TYR 23 11.983 6.418 -8.882 180 1HB TYR 23 1HB TYR 23 9.734 5.876 -6.963 181 2HB TYR 23 2HB TYR 23 11.425 5.691 -6.517 182 HD1 TYR 23 HD1 TYR 23 9.087 8.194 -7.997 183 HD2 TYR 23 HD2 TYR 23 12.553 7.517 -5.623 184 HE1 TYR 23 HE1 TYR 23 9.193 10.595 -7.481 185 HE2 TYR 23 HE2 TYR 23 12.668 9.917 -5.100 186 HH TYR 23 HH TYR 23 11.497 11.874 -5.155 187 H SER 24 H SER 24 12.757 4.554 -7.322 188 HA SER 24 HA SER 24 12.772 2.202 -8.957 189 1HB SER 24 1HB SER 24 14.542 1.431 -7.528 190 2HB SER 24 2HB SER 24 14.809 3.145 -7.843 191 HG SER 24 HG SER 24 14.708 3.453 -5.779 192 H LEU 25 H LEU 25 12.530 0.058 -8.085 193 HA LEU 25 HA LEU 25 10.056 -0.572 -7.184 194 1HB LEU 25 1HB LEU 25 12.672 -2.009 -6.846 195 2HB LEU 25 2HB LEU 25 11.176 -2.707 -6.257 196 HG LEU 25 HG LEU 25 12.031 -2.209 -9.082 197 1HD1 LEU 25 1HD1 LEU 25 12.365 -4.383 -7.713 198 2HD1 LEU 25 2HD1 LEU 25 10.642 -4.622 -8.004 199 3HD1 LEU 25 3HD1 LEU 25 11.755 -4.482 -9.365 200 1HD2 LEU 25 1HD2 LEU 25 9.289 -2.124 -7.994 201 2HD2 LEU 25 2HD2 LEU 25 9.955 -1.403 -9.459 202 3HD2 LEU 25 3HD2 LEU 25 9.533 -3.115 -9.432 203 H GLY 26 H GLY 26 12.930 -0.436 -5.046 204 1HA GLY 26 1HA GLY 26 13.100 0.192 -2.840 205 2HA GLY 26 2HA GLY 26 11.801 -0.969 -2.634 206 H ASN 27 H ASN 27 11.559 2.098 -4.368 207 HA ASN 27 HA ASN 27 10.402 3.550 -2.217 208 1HB ASN 27 1HB ASN 27 10.240 4.049 -5.196 209 2HB ASN 27 2HB ASN 27 9.785 5.202 -3.945 210 2HD2 ASN 27 2HD2 ASN 27 11.631 5.398 -2.220 211 1HD2 ASN 27 1HD2 ASN 27 13.196 5.699 -2.888 212 H TRP 28 H TRP 28 9.124 1.578 -4.805 213 HA TRP 28 HA TRP 28 6.380 2.245 -4.437 214 1HB TRP 28 1HB TRP 28 7.703 -0.130 -5.732 215 2HB TRP 28 2HB TRP 28 5.976 0.215 -5.802 216 HD1 TRP 28 HD1 TRP 28 9.297 1.304 -7.237 217 HE1 TRP 28 HE1 TRP 28 8.890 2.969 -9.142 218 HE3 TRP 28 HE3 TRP 28 4.289 1.998 -6.606 219 HZ2 TRP 28 HZ2 TRP 28 6.711 4.385 -10.263 220 HZ3 TRP 28 HZ3 TRP 28 3.090 3.513 -8.127 221 HH2 TRP 28 HH2 TRP 28 4.283 4.690 -9.925 222 H VAL 29 H VAL 29 8.456 -0.390 -3.275 223 HA VAL 29 HA VAL 29 6.438 -1.865 -2.016 224 HB VAL 29 HB VAL 29 9.377 -1.702 -1.340 225 1HG1 VAL 29 1HG1 VAL 29 7.202 -3.569 -0.483 226 2HG1 VAL 29 2HG1 VAL 29 8.874 -4.120 -0.574 227 3HG1 VAL 29 3HG1 VAL 29 8.445 -2.779 0.487 228 1HG2 VAL 29 1HG2 VAL 29 8.206 -2.546 -3.695 229 2HG2 VAL 29 2HG2 VAL 29 9.825 -2.955 -3.127 230 3HG2 VAL 29 3HG2 VAL 29 8.477 -4.043 -2.801 231 H CYS 30 H CYS 30 8.725 0.515 -0.712 232 HA CYS 30 HA CYS 30 7.842 0.387 1.933 233 1HB CYS 30 1HB CYS 30 9.939 1.510 1.008 234 2HB CYS 30 2HB CYS 30 8.907 2.889 0.639 235 H ALA 31 H ALA 31 6.816 2.566 -0.713 236 HA ALA 31 HA ALA 31 5.030 4.093 0.818 237 1HB ALA 31 1HB ALA 31 5.974 4.366 -1.633 238 2HB ALA 31 2HB ALA 31 4.448 5.102 -1.143 239 3HB ALA 31 3HB ALA 31 4.447 3.591 -2.051 240 H ALA 32 H ALA 32 4.475 1.215 -1.195 241 HA ALA 32 HA ALA 32 1.683 1.106 -0.736 242 1HB ALA 32 1HB ALA 32 2.237 -0.080 -2.604 243 2HB ALA 32 2HB ALA 32 2.154 -1.397 -1.435 244 3HB ALA 32 3HB ALA 32 3.717 -0.723 -1.895 245 H LYS 33 H LYS 33 4.399 -0.694 0.714 246 HA LYS 33 HA LYS 33 3.121 -2.439 2.339 247 1HB LYS 33 1HB LYS 33 5.520 -2.405 2.192 248 2HB LYS 33 2HB LYS 33 5.590 -0.801 2.907 249 1HG LYS 33 1HG LYS 33 4.563 -1.831 4.981 250 2HG LYS 33 2HG LYS 33 4.894 -3.399 4.241 251 1HD LYS 33 1HD LYS 33 7.178 -3.146 4.410 252 2HD LYS 33 2HD LYS 33 7.087 -1.383 4.429 253 1HE LYS 33 1HE LYS 33 7.706 -2.089 6.618 254 2HE LYS 33 2HE LYS 33 6.030 -1.548 6.691 255 1HZ LYS 33 1HZ LYS 33 6.669 -4.397 6.277 256 2HZ LYS 33 2HZ LYS 33 6.670 -3.736 7.834 257 3HZ LYS 33 3HZ LYS 33 5.258 -3.704 6.901 258 H PHE 34 H PHE 34 4.107 0.828 3.354 259 HA PHE 34 HA PHE 34 2.595 0.628 5.752 260 1HB PHE 34 1HB PHE 34 4.331 2.613 4.534 261 2HB PHE 34 2HB PHE 34 3.154 3.236 5.672 262 HD1 PHE 34 HD1 PHE 34 3.108 2.185 7.994 263 HD2 PHE 34 HD2 PHE 34 6.318 1.647 5.252 264 HE1 PHE 34 HE1 PHE 34 4.579 1.523 9.851 265 HE2 PHE 34 HE2 PHE 34 7.795 0.983 7.105 266 HZ PHE 34 HZ PHE 34 6.926 0.920 9.408 267 H GLU 35 H GLU 35 1.843 1.686 2.567 268 HA GLU 35 HA GLU 35 -0.141 3.558 3.098 269 1HB GLU 35 1HB GLU 35 0.948 2.242 0.874 270 2HB GLU 35 2HB GLU 35 -0.774 1.894 0.825 271 1HG GLU 35 1HG GLU 35 -1.353 4.108 0.555 272 2HG GLU 35 2HG GLU 35 0.152 4.696 1.259 273 H SER 36 H SER 36 -0.545 0.116 2.327 274 HA SER 36 HA SER 36 -3.094 0.152 3.819 275 1HB SER 36 1HB SER 36 -3.770 -1.614 2.019 276 2HB SER 36 2HB SER 36 -3.793 0.093 1.578 277 HG SER 36 HG SER 36 -1.664 -0.235 0.718 278 H ASN 37 H ASN 37 -0.185 -0.914 4.254 279 HA ASN 37 HA ASN 37 0.787 -2.721 5.270 280 1HB ASN 37 1HB ASN 37 -1.737 -2.441 6.451 281 2HB ASN 37 2HB ASN 37 -1.624 -4.152 6.048 282 2HD2 ASN 37 2HD2 ASN 37 0.214 -1.534 7.562 283 1HD2 ASN 37 1HD2 ASN 37 0.956 -2.519 8.771 284 H PHE 38 H PHE 38 -0.052 -2.737 2.519 285 HA PHE 38 HA PHE 38 0.142 -4.017 0.722 286 1HB PHE 38 1HB PHE 38 0.751 -6.094 2.797 287 2HB PHE 38 2HB PHE 38 0.599 -6.528 1.095 288 HD1 PHE 38 HD1 PHE 38 1.834 -4.523 -0.406 289 HD2 PHE 38 HD2 PHE 38 2.956 -5.953 3.438 290 HE1 PHE 38 HE1 PHE 38 4.134 -3.769 -0.811 291 HE2 PHE 38 HE2 PHE 38 5.263 -5.196 3.044 292 HZ PHE 38 HZ PHE 38 5.859 -4.114 0.914 293 H ASN 39 H ASN 39 -2.398 -3.533 2.209 294 HA ASN 39 HA ASN 39 -4.026 -5.820 1.449 295 1HB ASN 39 1HB ASN 39 -4.327 -4.176 3.508 296 2HB ASN 39 2HB ASN 39 -5.236 -3.235 2.330 297 2HD2 ASN 39 2HD2 ASN 39 -5.952 -4.868 4.774 298 1HD2 ASN 39 1HD2 ASN 39 -7.242 -5.883 4.237 299 H THR 40 H THR 40 -4.402 -6.032 -0.637 300 HA THR 40 HA THR 40 -4.544 -3.728 -2.387 301 HB THR 40 HB THR 40 -4.189 -5.177 -4.127 302 HG1 THR 40 HG1 THR 40 -5.089 -7.217 -4.256 303 1HG2 THR 40 1HG2 THR 40 -2.755 -5.762 -1.827 304 2HG2 THR 40 2HG2 THR 40 -3.237 -7.338 -2.455 305 3HG2 THR 40 3HG2 THR 40 -2.331 -6.222 -3.476 306 H GLN 41 H GLN 41 -6.671 -5.964 -0.847 307 HA GLN 41 HA GLN 41 -8.933 -5.216 -2.521 308 1HB GLN 41 1HB GLN 41 -8.320 -7.362 -0.574 309 2HB GLN 41 2HB GLN 41 -9.994 -6.863 -0.695 310 1HG GLN 41 1HG GLN 41 -8.804 -7.255 -3.298 311 2HG GLN 41 2HG GLN 41 -8.687 -8.698 -2.293 312 2HE2 GLN 41 2HE2 GLN 41 -10.829 -9.088 -1.030 313 1HE2 GLN 41 1HE2 GLN 41 -12.258 -9.033 -1.998 314 H ALA 42 H ALA 42 -7.438 -3.808 -0.003 315 HA ALA 42 HA ALA 42 -9.789 -3.183 1.574 316 1HB ALA 42 1HB ALA 42 -8.112 -1.745 2.850 317 2HB ALA 42 2HB ALA 42 -6.883 -2.512 1.845 318 3HB ALA 42 3HB ALA 42 -7.899 -3.495 2.900 319 H THR 43 H THR 43 -10.268 -0.992 2.168 320 HA THR 43 HA THR 43 -9.792 0.999 0.045 321 HB THR 43 HB THR 43 -12.014 1.549 -0.188 322 HG1 THR 43 HG1 THR 43 -12.505 0.396 2.376 323 1HG2 THR 43 1HG2 THR 43 -11.582 -0.935 -0.717 324 2HG2 THR 43 2HG2 THR 43 -12.514 -1.262 0.743 325 3HG2 THR 43 3HG2 THR 43 -13.255 -0.392 -0.600 326 H ASN 44 H ASN 44 -9.737 3.193 0.805 327 HA ASN 44 HA ASN 44 -9.806 3.497 3.731 328 1HB ASN 44 1HB ASN 44 -7.455 3.324 2.632 329 2HB ASN 44 2HB ASN 44 -7.776 4.963 2.075 330 2HD2 ASN 44 2HD2 ASN 44 -7.108 6.518 3.351 331 1HD2 ASN 44 1HD2 ASN 44 -6.842 6.398 5.054 332 H ARG 45 H ARG 45 -11.791 4.529 3.694 333 HA ARG 45 HA ARG 45 -12.415 6.679 1.949 334 1HB ARG 45 1HB ARG 45 -14.054 5.194 3.199 335 2HB ARG 45 2HB ARG 45 -13.687 6.144 4.632 336 1HG ARG 45 1HG ARG 45 -14.565 8.123 3.638 337 2HG ARG 45 2HG ARG 45 -14.723 7.330 2.069 338 1HD ARG 45 1HD ARG 45 -16.877 7.517 3.239 339 2HD ARG 45 2HD ARG 45 -16.413 5.839 2.960 340 HE ARG 45 HE ARG 45 -16.314 5.529 5.224 341 1HH1 ARG 45 1HH1 ARG 45 -16.323 8.948 4.550 342 2HH1 ARG 45 2HH1 ARG 45 -16.487 9.406 6.211 343 1HH2 ARG 45 1HH2 ARG 45 -16.530 6.122 7.414 344 2HH2 ARG 45 2HH2 ARG 45 -16.604 7.800 7.840 345 H ASN 46 H ASN 46 -12.077 8.808 2.120 346 HA ASN 46 HA ASN 46 -10.666 9.774 4.516 347 1HB ASN 46 1HB ASN 46 -10.693 11.201 1.872 348 2HB ASN 46 2HB ASN 46 -9.525 11.332 3.182 349 2HD2 ASN 46 2HD2 ASN 46 -10.039 10.105 0.182 350 1HD2 ASN 46 1HD2 ASN 46 -8.850 8.852 0.173 351 H THR 47 H THR 47 -10.945 12.295 4.669 352 HA THR 47 HA THR 47 -13.777 12.720 5.121 353 HB THR 47 HB THR 47 -13.049 14.849 6.190 354 HG1 THR 47 HG1 THR 47 -11.097 15.544 5.798 355 1HG2 THR 47 1HG2 THR 47 -11.975 12.191 7.028 356 2HG2 THR 47 2HG2 THR 47 -11.550 13.625 7.961 357 3HG2 THR 47 3HG2 THR 47 -13.243 13.172 7.763 358 H ASP 48 H ASP 48 -11.331 13.717 2.869 359 HA ASP 48 HA ASP 48 -12.615 16.059 1.909 360 1HB ASP 48 1HB ASP 48 -11.115 15.712 -0.097 361 2HB ASP 48 2HB ASP 48 -10.293 15.825 1.456 362 H GLY 49 H GLY 49 -13.398 12.802 1.617 363 1HA GLY 49 1HA GLY 49 -15.170 13.418 -0.663 364 2HA GLY 49 2HA GLY 49 -15.577 12.307 0.635 365 H SER 50 H SER 50 -12.389 12.306 -0.771 366 HA SER 50 HA SER 50 -12.965 10.237 -2.676 367 1HB SER 50 1HB SER 50 -10.293 10.146 -2.559 368 2HB SER 50 2HB SER 50 -11.155 11.402 -3.447 369 HG SER 50 HG SER 50 -10.948 12.734 -1.595 370 H THR 51 H THR 51 -11.020 8.409 -2.501 371 HA THR 51 HA THR 51 -10.800 7.271 0.130 372 HB THR 51 HB THR 51 -12.489 5.818 -1.916 373 HG1 THR 51 HG1 THR 51 -13.608 6.405 0.523 374 1HG2 THR 51 1HG2 THR 51 -10.989 4.861 0.290 375 2HG2 THR 51 2HG2 THR 51 -12.697 4.758 0.720 376 3HG2 THR 51 3HG2 THR 51 -12.106 3.968 -0.742 377 H ASP 52 H ASP 52 -9.499 5.268 0.107 378 HA ASP 52 HA ASP 52 -7.803 5.122 -2.295 379 1HB ASP 52 1HB ASP 52 -7.136 4.319 0.546 380 2HB ASP 52 2HB ASP 52 -6.035 4.293 -0.827 381 H TYR 53 H TYR 53 -8.916 3.636 -3.463 382 HA TYR 53 HA TYR 53 -9.636 1.128 -2.202 383 1HB TYR 53 1HB TYR 53 -10.134 2.219 -4.966 384 2HB TYR 53 2HB TYR 53 -10.569 0.586 -4.475 385 HD1 TYR 53 HD1 TYR 53 -12.355 0.201 -2.852 386 HD2 TYR 53 HD2 TYR 53 -11.398 4.124 -4.188 387 HE1 TYR 53 HE1 TYR 53 -14.499 1.018 -1.969 388 HE2 TYR 53 HE2 TYR 53 -13.540 4.951 -3.310 389 HH TYR 53 HH TYR 53 -16.046 2.871 -2.314 390 H GLY 54 H GLY 54 -7.508 0.448 -1.783 391 1HA GLY 54 1HA GLY 54 -5.908 -0.302 -4.132 392 2HA GLY 54 2HA GLY 54 -6.546 -1.619 -3.177 393 H ILE 55 H ILE 55 -4.062 -1.768 -3.539 394 HA ILE 55 HA ILE 55 -2.875 -1.421 -0.931 395 HB ILE 55 HB ILE 55 -2.573 -3.471 -2.412 396 1HG1 ILE 55 1HG1 ILE 55 -0.033 -2.087 -1.522 397 2HG1 ILE 55 2HG1 ILE 55 -1.128 -2.962 -0.456 398 1HG2 ILE 55 1HG2 ILE 55 -0.727 -1.603 -3.893 399 2HG2 ILE 55 2HG2 ILE 55 -0.831 -3.347 -4.134 400 3HG2 ILE 55 3HG2 ILE 55 -2.212 -2.320 -4.519 401 1HD1 ILE 55 1HD1 ILE 55 -0.242 -4.512 -2.764 402 2HD1 ILE 55 2HD1 ILE 55 1.060 -4.016 -1.683 403 3HD1 ILE 55 3HD1 ILE 55 -0.302 -4.945 -1.055 404 H LEU 56 H LEU 56 -2.968 0.246 -3.911 405 HA LEU 56 HA LEU 56 -0.692 1.930 -3.107 406 1HB LEU 56 1HB LEU 56 -1.088 0.623 -5.553 407 2HB LEU 56 2HB LEU 56 -1.517 2.292 -5.867 408 HG LEU 56 HG LEU 56 0.751 2.238 -6.420 409 1HD1 LEU 56 1HD1 LEU 56 0.141 3.973 -4.664 410 2HD1 LEU 56 2HD1 LEU 56 0.968 2.932 -3.504 411 3HD1 LEU 56 3HD1 LEU 56 1.855 3.609 -4.870 412 1HD2 LEU 56 1HD2 LEU 56 0.912 -0.107 -5.263 413 2HD2 LEU 56 2HD2 LEU 56 2.358 0.872 -5.514 414 3HD2 LEU 56 3HD2 LEU 56 1.588 0.826 -3.927 415 H GLN 57 H GLN 57 -3.843 1.778 -2.822 416 HA GLN 57 HA GLN 57 -5.465 3.271 -2.360 417 1HB GLN 57 1HB GLN 57 -3.372 5.392 -2.848 418 2HB GLN 57 2HB GLN 57 -4.903 5.608 -2.013 419 1HG GLN 57 1HG GLN 57 -4.100 3.912 -0.337 420 2HG GLN 57 2HG GLN 57 -2.520 4.019 -1.110 421 2HE2 GLN 57 2HE2 GLN 57 -4.078 4.989 1.491 422 1HE2 GLN 57 1HE2 GLN 57 -3.368 6.542 1.753 423 H ILE 58 H ILE 58 -6.292 2.419 -4.535 424 HA ILE 58 HA ILE 58 -6.036 4.291 -6.726 425 HB ILE 58 HB ILE 58 -7.946 1.964 -6.596 426 1HG1 ILE 58 1HG1 ILE 58 -5.885 0.934 -6.066 427 2HG1 ILE 58 2HG1 ILE 58 -6.068 0.712 -7.804 428 1HG2 ILE 58 1HG2 ILE 58 -6.648 3.506 -8.828 429 2HG2 ILE 58 2HG2 ILE 58 -7.487 1.974 -9.073 430 3HG2 ILE 58 3HG2 ILE 58 -8.365 3.372 -8.452 431 1HD1 ILE 58 1HD1 ILE 58 -4.657 3.154 -7.224 432 2HD1 ILE 58 2HD1 ILE 58 -3.878 1.768 -6.462 433 3HD1 ILE 58 3HD1 ILE 58 -4.166 1.771 -8.202 434 H ASN 59 H ASN 59 -6.955 6.185 -5.996 435 HA ASN 59 HA ASN 59 -9.364 6.396 -4.611 436 1HB ASN 59 1HB ASN 59 -7.690 8.198 -4.777 437 2HB ASN 59 2HB ASN 59 -8.072 8.391 -6.486 438 2HD2 ASN 59 2HD2 ASN 59 -8.402 10.630 -5.606 439 1HD2 ASN 59 1HD2 ASN 59 -9.992 11.031 -5.062 440 H SER 60 H SER 60 -11.108 5.314 -5.445 441 HA SER 60 HA SER 60 -11.747 5.223 -8.199 442 1HB SER 60 1HB SER 60 -13.576 3.963 -7.577 443 2HB SER 60 2HB SER 60 -12.566 3.761 -6.145 444 HG SER 60 HG SER 60 -14.857 5.346 -6.502 445 H ARG 61 H ARG 61 -12.026 7.717 -5.927 446 HA ARG 61 HA ARG 61 -14.276 8.989 -7.292 447 1HB ARG 61 1HB ARG 61 -13.796 8.945 -4.697 448 2HB ARG 61 2HB ARG 61 -12.741 10.298 -5.080 449 1HG ARG 61 1HG ARG 61 -14.938 11.115 -6.354 450 2HG ARG 61 2HG ARG 61 -15.690 10.121 -5.104 451 1HD ARG 61 1HD ARG 61 -14.817 11.425 -3.376 452 2HD ARG 61 2HD ARG 61 -13.588 12.144 -4.415 453 HE ARG 61 HE ARG 61 -16.197 12.819 -5.306 454 1HH1 ARG 61 1HH1 ARG 61 -13.835 13.563 -2.855 455 2HH1 ARG 61 2HH1 ARG 61 -14.406 15.180 -2.613 456 1HH2 ARG 61 1HH2 ARG 61 -16.956 14.946 -4.994 457 2HH2 ARG 61 2HH2 ARG 61 -16.181 15.966 -3.829 458 H TRP 62 H TRP 62 -11.523 8.518 -8.368 459 HA TRP 62 HA TRP 62 -11.236 11.055 -9.673 460 1HB TRP 62 1HB TRP 62 -9.831 10.822 -7.321 461 2HB TRP 62 2HB TRP 62 -8.633 10.372 -8.530 462 HD1 TRP 62 HD1 TRP 62 -8.260 12.266 -10.552 463 HE1 TRP 62 HE1 TRP 62 -8.273 14.832 -10.362 464 HE3 TRP 62 HE3 TRP 62 -10.769 12.739 -6.123 465 HZ2 TRP 62 HZ2 TRP 62 -9.222 16.797 -8.572 466 HZ3 TRP 62 HZ3 TRP 62 -11.188 14.998 -5.241 467 HH2 TRP 62 HH2 TRP 62 -10.430 16.984 -6.441 468 H TRP 63 H TRP 63 -10.700 7.702 -9.547 469 HA TRP 63 HA TRP 63 -9.238 7.865 -12.086 470 1HB TRP 63 1HB TRP 63 -8.726 5.912 -9.836 471 2HB TRP 63 2HB TRP 63 -8.008 5.800 -11.441 472 HD1 TRP 63 HD1 TRP 63 -6.944 6.854 -8.196 473 HE1 TRP 63 HE1 TRP 63 -5.150 8.703 -8.313 474 HE3 TRP 63 HE3 TRP 63 -7.598 8.281 -13.023 475 HZ2 TRP 63 HZ2 TRP 63 -4.162 10.552 -10.237 476 HZ3 TRP 63 HZ3 TRP 63 -6.259 10.089 -13.942 477 HH2 TRP 63 HH2 TRP 63 -4.542 11.208 -12.581 478 H CYS 64 H CYS 64 -10.606 5.218 -10.166 479 HA CYS 64 HA CYS 64 -11.843 4.219 -12.615 480 1HB CYS 64 1HB CYS 64 -11.799 2.111 -11.700 481 2HB CYS 64 2HB CYS 64 -10.466 2.838 -10.817 482 H ASN 65 H ASN 65 -13.981 3.350 -12.631 483 HA ASN 65 HA ASN 65 -15.827 5.076 -11.143 484 1HB ASN 65 1HB ASN 65 -15.937 4.965 -13.654 485 2HB ASN 65 2HB ASN 65 -16.443 3.285 -13.500 486 2HD2 ASN 65 2HD2 ASN 65 -18.530 3.061 -13.765 487 1HD2 ASN 65 1HD2 ASN 65 -19.754 4.158 -13.235 488 H ASP 66 H ASP 66 -16.429 4.208 -9.266 489 HA ASP 66 HA ASP 66 -16.931 1.324 -9.114 490 1HB ASP 66 1HB ASP 66 -16.768 1.537 -6.727 491 2HB ASP 66 2HB ASP 66 -15.407 2.396 -7.441 492 H GLY 67 H GLY 67 -18.543 4.334 -9.254 493 1HA GLY 67 1HA GLY 67 -21.107 3.035 -9.233 494 2HA GLY 67 2HA GLY 67 -20.806 4.748 -9.477 495 H ARG 68 H ARG 68 -19.367 3.430 -6.668 496 HA ARG 68 HA ARG 68 -21.644 3.897 -4.953 497 1HB ARG 68 1HB ARG 68 -19.654 2.172 -4.708 498 2HB ARG 68 2HB ARG 68 -18.884 3.518 -3.879 499 1HG ARG 68 1HG ARG 68 -21.246 3.543 -2.629 500 2HG ARG 68 2HG ARG 68 -21.163 1.833 -3.057 501 1HD ARG 68 1HD ARG 68 -19.507 1.422 -1.594 502 2HD ARG 68 2HD ARG 68 -18.679 2.935 -1.958 503 HE ARG 68 HE ARG 68 -21.075 3.330 -0.448 504 1HH1 ARG 68 1HH1 ARG 68 -17.704 2.476 -0.222 505 2HH1 ARG 68 2HH1 ARG 68 -17.547 3.004 1.419 506 1HH2 ARG 68 1HH2 ARG 68 -20.878 4.028 1.714 507 2HH2 ARG 68 2HH2 ARG 68 -19.351 3.886 2.521 508 H THR 69 H THR 69 -19.460 5.878 -6.426 509 HA THR 69 HA THR 69 -19.918 7.984 -4.439 510 HB THR 69 HB THR 69 -17.255 7.936 -5.782 511 HG1 THR 69 HG1 THR 69 -17.467 6.687 -3.284 512 1HG2 THR 69 1HG2 THR 69 -18.290 8.896 -3.115 513 2HG2 THR 69 2HG2 THR 69 -16.601 8.985 -3.614 514 3HG2 THR 69 3HG2 THR 69 -17.830 9.887 -4.500 515 HA PRO 70 HA PRO 70 -21.149 9.889 -8.320 516 1HB PRO 70 1HB PRO 70 -22.078 12.195 -7.233 517 2HB PRO 70 2HB PRO 70 -22.995 10.684 -7.204 518 1HG PRO 70 1HG PRO 70 -21.319 11.924 -5.056 519 2HG PRO 70 2HG PRO 70 -22.912 11.156 -4.928 520 1HD PRO 70 1HD PRO 70 -20.623 9.877 -4.254 521 2HD PRO 70 2HD PRO 70 -22.026 9.027 -4.932 522 H GLY 71 H GLY 71 -20.437 11.632 -9.612 523 1HA GLY 71 1HA GLY 71 -18.498 13.508 -8.571 524 2HA GLY 71 2HA GLY 71 -19.086 13.421 -10.224 525 H SER 72 H SER 72 -18.381 10.399 -9.962 526 HA SER 72 HA SER 72 -15.596 10.179 -9.710 527 1HB SER 72 1HB SER 72 -15.932 8.062 -11.101 528 2HB SER 72 2HB SER 72 -16.856 8.171 -9.603 529 HG SER 72 HG SER 72 -18.487 9.190 -11.197 530 H ARG 73 H ARG 73 -13.991 10.796 -10.983 531 HA ARG 73 HA ARG 73 -14.490 12.150 -13.446 532 1HB ARG 73 1HB ARG 73 -12.069 11.469 -11.838 533 2HB ARG 73 2HB ARG 73 -11.853 11.945 -13.517 534 1HG ARG 73 1HG ARG 73 -13.638 13.769 -12.221 535 2HG ARG 73 2HG ARG 73 -12.155 13.604 -11.278 536 1HD ARG 73 1HD ARG 73 -10.861 14.534 -12.895 537 2HD ARG 73 2HD ARG 73 -11.846 13.888 -14.207 538 HE ARG 73 HE ARG 73 -12.227 16.404 -12.806 539 1HH1 ARG 73 1HH1 ARG 73 -13.518 14.043 -15.020 540 2HH1 ARG 73 2HH1 ARG 73 -14.657 15.139 -15.727 541 1HH2 ARG 73 1HH2 ARG 73 -13.722 17.854 -13.731 542 2HH2 ARG 73 2HH2 ARG 73 -14.773 17.306 -14.995 543 H ASN 74 H ASN 74 -13.110 9.019 -12.570 544 HA ASN 74 HA ASN 74 -12.773 7.091 -13.755 545 1HB ASN 74 1HB ASN 74 -15.164 7.895 -14.619 546 2HB ASN 74 2HB ASN 74 -14.279 8.142 -16.122 547 2HD2 ASN 74 2HD2 ASN 74 -15.201 6.520 -17.271 548 1HD2 ASN 74 1HD2 ASN 74 -15.005 4.845 -16.897 549 H LEU 75 H LEU 75 -11.030 9.389 -13.949 550 HA LEU 75 HA LEU 75 -10.013 10.058 -16.398 551 1HB LEU 75 1HB LEU 75 -9.045 9.705 -13.643 552 2HB LEU 75 2HB LEU 75 -7.801 9.766 -14.871 553 HG LEU 75 HG LEU 75 -9.960 11.861 -14.477 554 1HD1 LEU 75 1HD1 LEU 75 -8.352 11.601 -12.545 555 2HD1 LEU 75 2HD1 LEU 75 -7.084 12.135 -13.649 556 3HD1 LEU 75 3HD1 LEU 75 -8.439 13.202 -13.279 557 1HD2 LEU 75 1HD2 LEU 75 -7.914 11.438 -16.490 558 2HD2 LEU 75 2HD2 LEU 75 -9.285 12.549 -16.486 559 3HD2 LEU 75 3HD2 LEU 75 -7.768 13.017 -15.717 560 H CYS 76 H CYS 76 -9.449 7.321 -14.406 561 HA CYS 76 HA CYS 76 -7.556 6.090 -16.189 562 1HB CYS 76 1HB CYS 76 -8.010 6.140 -13.505 563 2HB CYS 76 2HB CYS 76 -8.637 4.562 -13.962 564 H ASN 77 H ASN 77 -10.926 5.930 -15.398 565 HA ASN 77 HA ASN 77 -12.645 4.567 -16.063 566 1HB ASN 77 1HB ASN 77 -11.916 5.808 -18.182 567 2HB ASN 77 2HB ASN 77 -11.099 4.318 -18.645 568 2HD2 ASN 77 2HD2 ASN 77 -13.039 5.368 -20.234 569 1HD2 ASN 77 1HD2 ASN 77 -14.443 4.363 -20.194 570 H ILE 78 H ILE 78 -11.361 3.095 -14.464 571 HA ILE 78 HA ILE 78 -10.819 0.588 -15.878 572 HB ILE 78 HB ILE 78 -8.961 0.108 -14.681 573 1HG1 ILE 78 1HG1 ILE 78 -10.416 1.415 -12.461 574 2HG1 ILE 78 2HG1 ILE 78 -9.454 -0.057 -12.463 575 1HG2 ILE 78 1HG2 ILE 78 -8.627 2.236 -15.883 576 2HG2 ILE 78 2HG2 ILE 78 -8.992 3.104 -14.392 577 3HG2 ILE 78 3HG2 ILE 78 -7.572 2.063 -14.479 578 1HD1 ILE 78 1HD1 ILE 78 -7.414 1.404 -12.515 579 2HD1 ILE 78 2HD1 ILE 78 -8.486 2.777 -12.239 580 3HD1 ILE 78 3HD1 ILE 78 -8.376 1.490 -11.039 581 HA PRO 79 HA PRO 79 -13.964 -1.117 -13.213 582 1HB PRO 79 1HB PRO 79 -13.520 -3.747 -13.639 583 2HB PRO 79 2HB PRO 79 -14.246 -2.715 -14.878 584 1HG PRO 79 1HG PRO 79 -11.422 -3.668 -14.622 585 2HG PRO 79 2HG PRO 79 -12.435 -3.542 -16.071 586 1HD PRO 79 1HD PRO 79 -10.533 -1.699 -15.381 587 2HD PRO 79 2HD PRO 79 -11.971 -1.313 -16.346 588 H CYS 80 H CYS 80 -13.373 -0.679 -11.104 589 HA CYS 80 HA CYS 80 -10.974 -1.592 -9.938 590 1HB CYS 80 1HB CYS 80 -13.400 -0.182 -8.989 591 2HB CYS 80 2HB CYS 80 -12.438 -1.002 -7.765 592 H SER 81 H SER 81 -14.331 -2.680 -9.327 593 HA SER 81 HA SER 81 -13.865 -4.648 -7.505 594 1HB SER 81 1HB SER 81 -15.882 -5.800 -8.440 595 2HB SER 81 2HB SER 81 -16.110 -4.075 -8.159 596 HG SER 81 HG SER 81 -16.835 -4.992 -10.256 597 H ALA 82 H ALA 82 -13.517 -5.013 -11.035 598 HA ALA 82 HA ALA 82 -12.763 -7.795 -10.765 599 1HB ALA 82 1HB ALA 82 -13.915 -6.392 -12.775 600 2HB ALA 82 2HB ALA 82 -13.119 -7.953 -12.978 601 3HB ALA 82 3HB ALA 82 -12.243 -6.463 -13.330 602 H LEU 83 H LEU 83 -11.200 -4.790 -10.747 603 HA LEU 83 HA LEU 83 -8.597 -5.963 -11.411 604 1HB LEU 83 1HB LEU 83 -9.493 -3.115 -11.063 605 2HB LEU 83 2HB LEU 83 -7.801 -3.556 -11.212 606 HG LEU 83 HG LEU 83 -9.876 -4.254 -13.288 607 1HD1 LEU 83 1HD1 LEU 83 -8.333 -1.767 -12.847 608 2HD1 LEU 83 2HD1 LEU 83 -8.460 -2.362 -14.501 609 3HD1 LEU 83 3HD1 LEU 83 -9.920 -2.007 -13.577 610 1HD2 LEU 83 1HD2 LEU 83 -6.941 -4.599 -13.020 611 2HD2 LEU 83 2HD2 LEU 83 -8.145 -5.658 -13.754 612 3HD2 LEU 83 3HD2 LEU 83 -7.588 -4.224 -14.618 613 H LEU 84 H LEU 84 -10.430 -5.668 -8.734 614 HA LEU 84 HA LEU 84 -8.185 -5.138 -6.919 615 1HB LEU 84 1HB LEU 84 -11.159 -5.317 -6.451 616 2HB LEU 84 2HB LEU 84 -9.987 -5.122 -5.163 617 HG LEU 84 HG LEU 84 -10.093 -3.180 -7.433 618 1HD1 LEU 84 1HD1 LEU 84 -11.866 -3.264 -5.007 619 2HD1 LEU 84 2HD1 LEU 84 -11.535 -1.775 -5.893 620 3HD1 LEU 84 3HD1 LEU 84 -12.333 -3.123 -6.702 621 1HD2 LEU 84 1HD2 LEU 84 -8.585 -3.474 -5.027 622 2HD2 LEU 84 2HD2 LEU 84 -8.436 -2.250 -6.288 623 3HD2 LEU 84 3HD2 LEU 84 -9.537 -1.992 -4.936 624 H SER 85 H SER 85 -9.436 -7.634 -8.497 625 HA SER 85 HA SER 85 -9.727 -9.598 -6.453 626 1HB SER 85 1HB SER 85 -10.486 -9.502 -9.046 627 2HB SER 85 2HB SER 85 -9.063 -10.535 -9.178 628 HG SER 85 HG SER 85 -11.406 -10.953 -7.654 629 H SER 86 H SER 86 -7.422 -8.473 -5.824 630 HA SER 86 HA SER 86 -5.336 -9.000 -5.082 631 1HB SER 86 1HB SER 86 -6.463 -11.577 -5.786 632 2HB SER 86 2HB SER 86 -4.733 -11.535 -6.121 633 HG SER 86 HG SER 86 -4.479 -10.740 -3.939 634 H ASP 87 H ASP 87 -5.911 -7.738 -7.543 635 HA ASP 87 HA ASP 87 -3.527 -8.436 -9.115 636 1HB ASP 87 1HB ASP 87 -5.765 -8.922 -10.146 637 2HB ASP 87 2HB ASP 87 -6.093 -7.197 -10.095 638 H ILE 88 H ILE 88 -1.992 -6.872 -8.957 639 HA ILE 88 HA ILE 88 -2.824 -4.177 -8.212 640 HB ILE 88 HB ILE 88 -0.181 -3.915 -8.287 641 1HG1 ILE 88 1HG1 ILE 88 -0.284 -6.716 -7.282 642 2HG1 ILE 88 2HG1 ILE 88 -0.234 -6.477 -9.026 643 1HG2 ILE 88 1HG2 ILE 88 -1.830 -5.149 -6.099 644 2HG2 ILE 88 2HG2 ILE 88 -0.182 -4.563 -5.870 645 3HG2 ILE 88 3HG2 ILE 88 -1.457 -3.443 -6.349 646 1HD1 ILE 88 1HD1 ILE 88 1.730 -4.947 -7.449 647 2HD1 ILE 88 2HD1 ILE 88 1.948 -6.696 -7.499 648 3HD1 ILE 88 3HD1 ILE 88 1.903 -5.770 -9.000 649 H THR 89 H THR 89 -2.142 -5.899 -11.019 650 HA THR 89 HA THR 89 -0.613 -4.294 -12.608 651 HB THR 89 HB THR 89 -3.183 -5.295 -13.770 652 HG1 THR 89 HG1 THR 89 -2.453 -7.413 -13.638 653 1HG2 THR 89 1HG2 THR 89 -0.715 -4.419 -14.766 654 2HG2 THR 89 2HG2 THR 89 -0.737 -6.164 -15.019 655 3HG2 THR 89 3HG2 THR 89 -2.031 -5.161 -15.675 656 H ALA 90 H ALA 90 -4.096 -3.912 -11.998 657 HA ALA 90 HA ALA 90 -4.402 -1.596 -13.513 658 1HB ALA 90 1HB ALA 90 -6.107 -3.316 -12.351 659 2HB ALA 90 2HB ALA 90 -6.216 -1.952 -11.238 660 3HB ALA 90 3HB ALA 90 -6.572 -1.724 -12.950 661 H SER 91 H SER 91 -3.851 -2.127 -10.058 662 HA SER 91 HA SER 91 -4.060 0.542 -9.222 663 1HB SER 91 1HB SER 91 -3.283 -0.193 -7.171 664 2HB SER 91 2HB SER 91 -3.817 -1.721 -7.868 665 HG SER 91 HG SER 91 -1.832 -2.384 -7.821 666 H VAL 92 H VAL 92 -1.499 -1.254 -10.682 667 HA VAL 92 HA VAL 92 0.383 0.923 -10.291 668 HB VAL 92 HB VAL 92 0.748 -1.752 -11.643 669 1HG1 VAL 92 1HG1 VAL 92 2.686 0.542 -11.308 670 2HG1 VAL 92 2HG1 VAL 92 3.163 -1.095 -11.758 671 3HG1 VAL 92 3HG1 VAL 92 2.111 -0.159 -12.820 672 1HG2 VAL 92 1HG2 VAL 92 0.607 -1.592 -9.108 673 2HG2 VAL 92 2HG2 VAL 92 2.053 -2.355 -9.769 674 3HG2 VAL 92 3HG2 VAL 92 2.122 -0.693 -9.183 675 H ASN 93 H ASN 93 -1.644 -0.380 -12.824 676 HA ASN 93 HA ASN 93 -0.385 0.879 -14.935 677 1HB ASN 93 1HB ASN 93 -1.823 -0.464 -15.957 678 2HB ASN 93 2HB ASN 93 -2.756 -0.620 -14.492 679 2HD2 ASN 93 2HD2 ASN 93 -2.280 1.331 -17.355 680 1HD2 ASN 93 1HD2 ASN 93 -3.862 2.023 -17.381 681 H CYS 94 H CYS 94 -2.999 1.747 -12.811 682 HA CYS 94 HA CYS 94 -3.540 4.278 -13.953 683 1HB CYS 94 1HB CYS 94 -4.880 2.764 -12.210 684 2HB CYS 94 2HB CYS 94 -4.045 3.798 -11.055 685 H ALA 95 H ALA 95 -1.619 3.220 -11.130 686 HA ALA 95 HA ALA 95 -0.737 5.839 -10.481 687 1HB ALA 95 1HB ALA 95 -0.213 4.699 -8.676 688 2HB ALA 95 2HB ALA 95 1.246 4.212 -9.541 689 3HB ALA 95 3HB ALA 95 -0.175 3.166 -9.546 690 H LYS 96 H LYS 96 0.426 3.366 -12.667 691 HA LYS 96 HA LYS 96 2.992 4.300 -13.191 692 1HB LYS 96 1HB LYS 96 2.133 2.214 -14.169 693 2HB LYS 96 2HB LYS 96 0.991 3.128 -15.146 694 1HG LYS 96 1HG LYS 96 2.499 3.267 -16.754 695 2HG LYS 96 2HG LYS 96 3.561 4.171 -15.674 696 1HD LYS 96 1HD LYS 96 4.974 2.449 -15.960 697 2HD LYS 96 2HD LYS 96 3.935 1.616 -14.802 698 1HE LYS 96 1HE LYS 96 2.735 1.368 -17.352 699 2HE LYS 96 2HE LYS 96 4.445 0.981 -17.536 700 1HZ LYS 96 1HZ LYS 96 3.700 -0.311 -15.250 701 2HZ LYS 96 2HZ LYS 96 2.372 -0.524 -16.275 702 3HZ LYS 96 3HZ LYS 96 3.911 -1.020 -16.771 703 H LYS 97 H LYS 97 -0.150 5.224 -14.262 704 HA LYS 97 HA LYS 97 0.720 7.352 -16.012 705 1HB LYS 97 1HB LYS 97 -1.558 5.896 -15.931 706 2HB LYS 97 2HB LYS 97 -2.080 7.320 -15.041 707 1HG LYS 97 1HG LYS 97 -1.877 8.703 -16.863 708 2HG LYS 97 2HG LYS 97 -0.683 7.669 -17.650 709 1HD LYS 97 1HD LYS 97 -2.279 6.229 -18.480 710 2HD LYS 97 2HD LYS 97 -3.450 6.636 -17.224 711 1HE LYS 97 1HE LYS 97 -4.240 7.575 -19.265 712 2HE LYS 97 2HE LYS 97 -3.651 8.902 -18.266 713 1HZ LYS 97 1HZ LYS 97 -1.497 8.638 -19.553 714 2HZ LYS 97 2HZ LYS 97 -2.379 7.697 -20.647 715 3HZ LYS 97 3HZ LYS 97 -2.804 9.314 -20.386 716 H ILE 98 H ILE 98 -0.189 6.943 -12.694 717 HA ILE 98 HA ILE 98 -0.721 9.647 -12.089 718 HB ILE 98 HB ILE 98 0.101 7.363 -10.329 719 1HG1 ILE 98 1HG1 ILE 98 -2.538 8.838 -10.587 720 2HG1 ILE 98 2HG1 ILE 98 -2.175 7.313 -11.390 721 1HG2 ILE 98 1HG2 ILE 98 -0.545 10.208 -9.597 722 2HG2 ILE 98 2HG2 ILE 98 -0.628 8.874 -8.446 723 3HG2 ILE 98 3HG2 ILE 98 0.908 9.287 -9.208 724 1HD1 ILE 98 1HD1 ILE 98 -2.248 7.760 -8.413 725 2HD1 ILE 98 2HD1 ILE 98 -3.499 6.978 -9.380 726 3HD1 ILE 98 3HD1 ILE 98 -1.909 6.230 -9.225 727 H VAL 99 H VAL 99 2.104 7.626 -11.657 728 HA VAL 99 HA VAL 99 3.812 9.713 -10.756 729 HB VAL 99 HB VAL 99 4.057 7.183 -10.361 730 1HG1 VAL 99 1HG1 VAL 99 4.183 6.894 -12.972 731 2HG1 VAL 99 2HG1 VAL 99 5.895 7.218 -12.700 732 3HG1 VAL 99 3HG1 VAL 99 5.117 5.855 -11.897 733 1HG2 VAL 99 1HG2 VAL 99 5.600 8.848 -9.502 734 2HG2 VAL 99 2HG2 VAL 99 6.479 7.423 -10.059 735 3HG2 VAL 99 3HG2 VAL 99 6.448 8.883 -11.048 736 H SER 100 H SER 100 2.845 8.607 -13.874 737 HA SER 100 HA SER 100 5.123 9.781 -15.238 738 1HB SER 100 1HB SER 100 3.936 7.722 -16.081 739 2HB SER 100 2HB SER 100 2.552 8.748 -16.457 740 HG SER 100 HG SER 100 3.989 8.413 -18.246 741 H ASP 101 H ASP 101 2.000 10.686 -14.166 742 HA ASP 101 HA ASP 101 1.713 12.931 -15.965 743 1HB ASP 101 1HB ASP 101 -0.214 11.592 -14.972 744 2HB ASP 101 2HB ASP 101 0.117 12.420 -13.454 745 H GLY 102 H GLY 102 3.532 12.340 -13.250 746 1HA GLY 102 1HA GLY 102 3.734 15.232 -12.696 747 2HA GLY 102 2HA GLY 102 5.062 14.093 -12.544 748 H ASN 103 H ASN 103 4.206 12.113 -11.032 749 HA ASN 103 HA ASN 103 3.877 13.356 -8.450 750 1HB ASN 103 1HB ASN 103 1.685 11.813 -9.750 751 2HB ASN 103 2HB ASN 103 1.961 11.547 -8.032 752 2HD2 ASN 103 2HD2 ASN 103 0.656 13.602 -10.402 753 1HD2 ASN 103 1HD2 ASN 103 0.121 14.864 -9.351 754 H GLY 104 H GLY 104 5.799 12.472 -7.802 755 1HA GLY 104 1HA GLY 104 7.341 10.855 -7.226 756 2HA GLY 104 2HA GLY 104 6.486 9.734 -8.274 757 H MET 105 H MET 105 7.604 9.543 -5.476 758 HA MET 105 HA MET 105 5.440 8.011 -4.369 759 1HB MET 105 1HB MET 105 7.902 8.607 -2.796 760 2HB MET 105 2HB MET 105 7.008 7.100 -2.947 761 1HG MET 105 1HG MET 105 8.834 8.294 -5.020 762 2HG MET 105 2HG MET 105 9.203 6.931 -3.965 763 1HE MET 105 1HE MET 105 7.030 5.327 -3.654 764 2HE MET 105 2HE MET 105 5.643 5.814 -4.627 765 3HE MET 105 3HE MET 105 6.541 4.353 -5.041 766 H ASN 106 H ASN 106 6.110 11.192 -4.455 767 HA ASN 106 HA ASN 106 5.685 11.963 -1.751 768 1HB ASN 106 1HB ASN 106 5.095 13.813 -4.013 769 2HB ASN 106 2HB ASN 106 5.975 14.101 -2.520 770 2HD2 ASN 106 2HD2 ASN 106 6.231 13.504 -5.804 771 1HD2 ASN 106 1HD2 ASN 106 7.931 13.213 -5.878 772 H ALA 107 H ALA 107 3.644 11.577 -4.611 773 HA ALA 107 HA ALA 107 1.319 12.808 -3.788 774 1HB ALA 107 1HB ALA 107 2.028 10.731 -5.699 775 2HB ALA 107 2HB ALA 107 0.396 10.543 -5.058 776 3HB ALA 107 3HB ALA 107 0.868 12.051 -5.841 777 H TRP 108 H TRP 108 2.339 9.469 -3.159 778 HA TRP 108 HA TRP 108 0.103 8.982 -1.410 779 1HB TRP 108 1HB TRP 108 2.574 7.317 -1.966 780 2HB TRP 108 2HB TRP 108 1.157 6.772 -1.070 781 HD1 TRP 108 HD1 TRP 108 -1.112 6.365 -2.492 782 HE1 TRP 108 HE1 TRP 108 -1.489 5.864 -4.989 783 HE3 TRP 108 HE3 TRP 108 3.458 7.771 -4.302 784 HZ2 TRP 108 HZ2 TRP 108 -0.040 6.044 -7.423 785 HZ3 TRP 108 HZ3 TRP 108 3.880 7.579 -6.716 786 HH2 TRP 108 HH2 TRP 108 2.172 6.731 -8.239 787 H VAL 109 H VAL 109 0.010 9.423 0.673 788 HA VAL 109 HA VAL 109 2.098 10.798 2.000 789 HB VAL 109 HB VAL 109 0.012 9.766 3.685 790 1HG1 VAL 109 1HG1 VAL 109 1.736 11.751 3.917 791 2HG1 VAL 109 2HG1 VAL 109 0.419 12.647 3.159 792 3HG1 VAL 109 3HG1 VAL 109 0.150 11.805 4.686 793 1HG2 VAL 109 1HG2 VAL 109 -0.650 11.103 1.129 794 2HG2 VAL 109 2HG2 VAL 109 -1.558 9.893 2.035 795 3HG2 VAL 109 3HG2 VAL 109 -1.559 11.575 2.563 796 H ALA 110 H ALA 110 1.162 7.439 2.032 797 HA ALA 110 HA ALA 110 2.302 6.769 4.529 798 1HB ALA 110 1HB ALA 110 2.192 4.855 2.227 799 2HB ALA 110 2HB ALA 110 1.969 4.540 3.948 800 3HB ALA 110 3HB ALA 110 0.720 5.389 3.037 801 H TRP 111 H TRP 111 3.708 7.601 1.562 802 HA TRP 111 HA TRP 111 6.216 6.251 2.179 803 1HB TRP 111 1HB TRP 111 5.518 6.232 -0.154 804 2HB TRP 111 2HB TRP 111 5.481 7.986 -0.184 805 HD1 TRP 111 HD1 TRP 111 7.843 5.044 -0.443 806 HE1 TRP 111 HE1 TRP 111 10.195 5.890 -1.056 807 HE3 TRP 111 HE3 TRP 111 7.081 10.067 0.143 808 HZ2 TRP 111 HZ2 TRP 111 11.548 8.358 -1.265 809 HZ3 TRP 111 HZ3 TRP 111 8.957 11.601 -0.283 810 HH2 TRP 111 HH2 TRP 111 11.145 10.762 -0.971 811 H ARG 112 H ARG 112 4.834 9.523 2.182 812 HA ARG 112 HA ARG 112 7.407 10.637 2.967 813 1HB ARG 112 1HB ARG 112 4.924 11.635 1.818 814 2HB ARG 112 2HB ARG 112 5.528 12.640 3.127 815 1HG ARG 112 1HG ARG 112 7.751 12.648 1.924 816 2HG ARG 112 2HG ARG 112 6.904 11.926 0.554 817 1HD ARG 112 1HD ARG 112 5.745 13.834 0.088 818 2HD ARG 112 2HD ARG 112 5.731 14.365 1.769 819 HE ARG 112 HE ARG 112 8.277 14.427 0.343 820 1HH1 ARG 112 1HH1 ARG 112 5.543 16.152 1.646 821 2HH1 ARG 112 2HH1 ARG 112 6.332 17.693 1.604 822 1HH2 ARG 112 1HH2 ARG 112 9.323 16.453 0.285 823 2HH2 ARG 112 2HH2 ARG 112 8.480 17.864 0.830 824 H ASN 113 H ASN 113 6.417 8.826 4.793 825 HA ASN 113 HA ASN 113 6.071 10.544 7.104 826 1HB ASN 113 1HB ASN 113 3.804 9.417 5.971 827 2HB ASN 113 2HB ASN 113 4.205 8.308 7.279 828 2HD2 ASN 113 2HD2 ASN 113 2.267 10.726 6.624 829 1HD2 ASN 113 1HD2 ASN 113 2.198 11.537 8.148 830 H ARG 114 H ARG 114 5.672 7.099 6.360 831 HA ARG 114 HA ARG 114 7.546 6.464 8.518 832 1HB ARG 114 1HB ARG 114 5.287 5.062 7.204 833 2HB ARG 114 2HB ARG 114 6.610 4.069 7.787 834 1HG ARG 114 1HG ARG 114 5.819 4.186 9.852 835 2HG ARG 114 2HG ARG 114 5.917 5.947 9.813 836 1HD ARG 114 1HD ARG 114 3.655 4.743 8.353 837 2HD ARG 114 2HD ARG 114 3.616 4.575 10.107 838 HE ARG 114 HE ARG 114 3.889 7.190 8.775 839 1HH1 ARG 114 1HH1 ARG 114 2.434 5.102 11.156 840 2HH1 ARG 114 2HH1 ARG 114 1.485 6.363 11.869 841 1HH2 ARG 114 1HH2 ARG 114 2.642 8.856 9.709 842 2HH2 ARG 114 2HH2 ARG 114 1.602 8.496 11.046 843 H CYS 115 H CYS 115 7.788 7.079 5.349 844 HA CYS 115 HA CYS 115 9.805 4.977 4.914 845 1HB CYS 115 1HB CYS 115 7.979 6.388 2.991 846 2HB CYS 115 2HB CYS 115 9.436 5.568 2.440 847 H LYS 116 H LYS 116 9.092 8.415 4.269 848 HA LYS 116 HA LYS 116 11.632 9.033 3.225 849 1HB LYS 116 1HB LYS 116 9.355 10.381 3.286 850 2HB LYS 116 2HB LYS 116 10.067 11.082 4.732 851 1HG LYS 116 1HG LYS 116 12.116 11.542 3.250 852 2HG LYS 116 2HG LYS 116 11.019 11.245 1.899 853 1HD LYS 116 1HD LYS 116 9.830 13.150 2.268 854 2HD LYS 116 2HD LYS 116 10.087 13.101 4.014 855 1HE LYS 116 1HE LYS 116 11.273 14.984 3.118 856 2HE LYS 116 2HE LYS 116 12.446 13.771 3.629 857 1HZ LYS 116 1HZ LYS 116 11.899 13.194 0.998 858 2HZ LYS 116 2HZ LYS 116 12.022 14.880 1.048 859 3HZ LYS 116 3HZ LYS 116 13.301 13.921 1.603 860 H GLY 117 H GLY 117 13.198 8.093 4.569 861 1HA GLY 117 1HA GLY 117 13.366 9.074 7.323 862 2HA GLY 117 2HA GLY 117 14.680 9.483 6.232 863 H THR 118 H THR 118 13.535 6.497 5.308 864 HA THR 118 HA THR 118 15.490 5.122 7.028 865 HB THR 118 HB THR 118 14.158 3.054 6.660 866 HG1 THR 118 HG1 THR 118 12.894 4.633 4.894 867 1HG2 THR 118 1HG2 THR 118 12.642 5.360 7.890 868 2HG2 THR 118 2HG2 THR 118 12.305 3.651 8.167 869 3HG2 THR 118 3HG2 THR 118 13.835 4.346 8.702 870 H ASP 119 H ASP 119 15.058 2.671 5.351 871 HA ASP 119 HA ASP 119 16.400 3.493 2.888 872 1HB ASP 119 1HB ASP 119 17.884 2.590 4.831 873 2HB ASP 119 2HB ASP 119 17.319 1.057 4.208 874 H VAL 120 H VAL 120 15.140 2.868 1.267 875 HA VAL 120 HA VAL 120 13.332 0.654 1.500 876 HB VAL 120 HB VAL 120 12.749 1.176 -0.856 877 1HG1 VAL 120 1HG1 VAL 120 12.266 2.700 1.439 878 2HG1 VAL 120 2HG1 VAL 120 12.575 3.864 0.151 879 3HG1 VAL 120 3HG1 VAL 120 11.306 2.654 -0.039 880 1HG2 VAL 120 1HG2 VAL 120 14.953 3.205 -0.548 881 2HG2 VAL 120 2HG2 VAL 120 14.812 1.930 -1.758 882 3HG2 VAL 120 3HG2 VAL 120 13.712 3.308 -1.798 883 H GLN 121 H GLN 121 16.480 1.258 0.138 884 HA GLN 121 HA GLN 121 16.666 -0.898 -1.642 885 1HB GLN 121 1HB GLN 121 18.321 1.103 -1.051 886 2HB GLN 121 2HB GLN 121 19.051 -0.123 -0.022 887 1HG GLN 121 1HG GLN 121 19.582 -1.496 -1.847 888 2HG GLN 121 2HG GLN 121 18.511 -0.610 -2.931 889 2HE2 GLN 121 2HE2 GLN 121 19.257 1.149 -3.984 890 1HE2 GLN 121 1HE2 GLN 121 20.873 1.746 -3.857 891 H ALA 122 H ALA 122 16.735 -0.699 1.796 892 HA ALA 122 HA ALA 122 17.733 -3.411 2.130 893 1HB ALA 122 1HB ALA 122 18.439 -1.593 3.671 894 2HB ALA 122 2HB ALA 122 17.693 -2.963 4.494 895 3HB ALA 122 3HB ALA 122 16.774 -1.479 4.239 896 H TRP 123 H TRP 123 14.764 -1.728 1.812 897 HA TRP 123 HA TRP 123 13.079 -3.444 3.316 898 1HB TRP 123 1HB TRP 123 12.681 -1.401 1.193 899 2HB TRP 123 2HB TRP 123 11.374 -2.548 1.462 900 HD1 TRP 123 HD1 TRP 123 11.705 0.745 2.234 901 HE1 TRP 123 HE1 TRP 123 10.889 1.415 4.581 902 HE3 TRP 123 HE3 TRP 123 11.712 -3.834 4.475 903 HZ2 TRP 123 HZ2 TRP 123 10.333 0.135 7.024 904 HZ3 TRP 123 HZ3 TRP 123 11.027 -4.033 6.809 905 HH2 TRP 123 HH2 TRP 123 10.344 -2.065 8.071 906 H ILE 124 H ILE 124 14.719 -3.864 0.357 907 HA ILE 124 HA ILE 124 13.144 -6.298 -0.177 908 HB ILE 124 HB ILE 124 13.749 -6.020 -2.588 909 1HG1 ILE 124 1HG1 ILE 124 14.194 -3.117 -2.189 910 2HG1 ILE 124 2HG1 ILE 124 15.533 -4.171 -1.745 911 1HG2 ILE 124 1HG2 ILE 124 11.690 -4.879 -1.116 912 2HG2 ILE 124 2HG2 ILE 124 12.231 -3.592 -2.195 913 3HG2 ILE 124 3HG2 ILE 124 11.723 -5.145 -2.859 914 1HD1 ILE 124 1HD1 ILE 124 14.370 -4.826 -4.330 915 2HD1 ILE 124 2HD1 ILE 124 15.023 -3.190 -4.245 916 3HD1 ILE 124 3HD1 ILE 124 16.053 -4.571 -3.870 917 H ARG 125 H ARG 125 15.907 -5.383 1.092 918 HA ARG 125 HA ARG 125 17.901 -6.728 -0.395 919 1HB ARG 125 1HB ARG 125 17.858 -5.100 1.836 920 2HB ARG 125 2HB ARG 125 18.356 -6.653 2.491 921 1HG ARG 125 1HG ARG 125 20.035 -6.640 0.497 922 2HG ARG 125 2HG ARG 125 19.736 -4.901 0.514 923 1HD ARG 125 1HD ARG 125 21.542 -5.073 1.933 924 2HD ARG 125 2HD ARG 125 20.194 -5.128 3.069 925 HE ARG 125 HE ARG 125 21.275 -7.664 2.108 926 1HH1 ARG 125 1HH1 ARG 125 20.982 -5.320 4.671 927 2HH1 ARG 125 2HH1 ARG 125 21.514 -6.414 5.905 928 1HH2 ARG 125 1HH2 ARG 125 21.976 -9.109 3.726 929 2HH2 ARG 125 2HH2 ARG 125 22.079 -8.566 5.368 930 H GLY 126 H GLY 126 17.679 -8.825 -0.890 931 1HA GLY 126 1HA GLY 126 17.239 -10.697 1.347 932 2HA GLY 126 2HA GLY 126 18.155 -11.067 -0.106 933 H CYS 127 H CYS 127 15.502 -9.333 -1.032 934 HA CYS 127 HA CYS 127 13.452 -11.246 -0.935 935 1HB CYS 127 1HB CYS 127 13.905 -8.711 -2.288 936 2HB CYS 127 2HB CYS 127 12.679 -9.744 -2.994 937 H ARG 128 H ARG 128 13.124 -13.028 -2.088 938 HA ARG 128 HA ARG 128 14.927 -13.673 -4.257 939 1HB ARG 128 1HB ARG 128 13.763 -15.186 -2.323 940 2HB ARG 128 2HB ARG 128 12.684 -15.500 -3.674 941 1HG ARG 128 1HG ARG 128 14.288 -16.584 -4.888 942 2HG ARG 128 2HG ARG 128 15.615 -15.705 -4.126 943 1HD ARG 128 1HD ARG 128 15.821 -17.214 -2.481 944 2HD ARG 128 2HD ARG 128 14.077 -17.359 -2.271 945 HE ARG 128 HE ARG 128 15.040 -18.634 -4.653 946 1HH1 ARG 128 1HH1 ARG 128 14.548 -19.009 -1.224 947 2HH1 ARG 128 2HH1 ARG 128 14.463 -20.737 -1.294 948 1HH2 ARG 128 1HH2 ARG 128 14.929 -20.909 -4.755 949 2HH2 ARG 128 2HH2 ARG 128 14.680 -21.818 -3.302 950 H LEU 129 H LEU 129 14.417 -12.486 -6.036 951 HA LEU 129 HA LEU 129 11.958 -13.207 -7.404 952 1HB LEU 129 1HB LEU 129 11.205 -10.991 -7.790 953 2HB LEU 129 2HB LEU 129 11.465 -11.150 -6.064 954 HG LEU 129 HG LEU 129 13.854 -10.146 -7.308 955 1HD1 LEU 129 1HD1 LEU 129 11.565 -9.310 -8.660 956 2HD1 LEU 129 2HD1 LEU 129 11.975 -7.980 -7.577 957 3HD1 LEU 129 3HD1 LEU 129 13.169 -8.582 -8.726 958 1HD2 LEU 129 1HD2 LEU 129 12.370 -9.847 -4.954 959 2HD2 LEU 129 2HD2 LEU 129 13.921 -9.105 -5.349 960 3HD2 LEU 129 3HD2 LEU 129 12.419 -8.247 -5.697 No H/Q in entry = 960 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -7.386 -8.316 0.829 2 H2 LYS 1 H2 LYS 1 -8.109 -9.287 -0.353 3 H3 LYS 1 H3 LYS 1 -8.136 -9.768 1.268 4 HA LYS 1 HA LYS 1 -6.203 -10.785 1.101 5 1HB LYS 1 1HB LYS 1 -7.308 -10.966 -1.278 6 2HB LYS 1 2HB LYS 1 -5.954 -9.958 -1.769 7 1HG LYS 1 1HG LYS 1 -4.919 -11.914 -2.093 8 2HG LYS 1 2HG LYS 1 -4.674 -11.873 -0.346 9 1HD LYS 1 1HD LYS 1 -5.638 -13.917 -0.452 10 2HD LYS 1 2HD LYS 1 -7.128 -12.969 -0.441 11 1HE LYS 1 1HE LYS 1 -7.351 -13.134 -2.798 12 2HE LYS 1 2HE LYS 1 -5.719 -13.774 -2.975 13 1HZ LYS 1 1HZ LYS 1 -7.962 -15.162 -1.612 14 2HZ LYS 1 2HZ LYS 1 -7.408 -15.503 -3.173 15 3HZ LYS 1 3HZ LYS 1 -6.404 -15.781 -1.841 16 H VAL 2 H VAL 2 -4.247 -10.263 1.827 17 HA VAL 2 HA VAL 2 -3.079 -7.695 0.970 18 HB VAL 2 HB VAL 2 -2.759 -9.155 3.597 19 1HG1 VAL 2 1HG1 VAL 2 -0.781 -7.734 2.431 20 2HG1 VAL 2 2HG1 VAL 2 -1.642 -6.446 3.274 21 3HG1 VAL 2 3HG1 VAL 2 -1.020 -7.829 4.175 22 1HG2 VAL 2 1HG2 VAL 2 -4.696 -7.347 2.746 23 2HG2 VAL 2 2HG2 VAL 2 -4.343 -7.819 4.409 24 3HG2 VAL 2 3HG2 VAL 2 -3.576 -6.390 3.717 25 H PHE 3 H PHE 3 -1.217 -7.780 -0.148 26 HA PHE 3 HA PHE 3 0.082 -10.264 -0.673 27 1HB PHE 3 1HB PHE 3 0.973 -7.424 -1.227 28 2HB PHE 3 2HB PHE 3 1.769 -8.863 -1.845 29 HD1 PHE 3 HD1 PHE 3 -1.321 -10.028 -2.111 30 HD2 PHE 3 HD2 PHE 3 0.974 -6.794 -3.644 31 HE1 PHE 3 HE1 PHE 3 -2.756 -9.956 -4.108 32 HE2 PHE 3 HE2 PHE 3 -0.449 -6.714 -5.636 33 HZ PHE 3 HZ PHE 3 -2.317 -8.296 -5.877 34 H GLY 4 H GLY 4 2.666 -10.079 -0.543 35 1HA GLY 4 1HA GLY 4 4.124 -10.764 1.236 36 2HA GLY 4 2HA GLY 4 3.251 -9.679 2.312 37 H ARG 5 H ARG 5 6.148 -9.857 1.686 38 HA ARG 5 HA ARG 5 6.524 -7.023 1.125 39 1HB ARG 5 1HB ARG 5 8.968 -7.660 1.747 40 2HB ARG 5 2HB ARG 5 7.753 -7.587 3.014 41 1HG ARG 5 1HG ARG 5 7.547 -9.968 3.050 42 2HG ARG 5 2HG ARG 5 8.578 -10.126 1.626 43 1HD ARG 5 1HD ARG 5 9.914 -10.651 3.522 44 2HD ARG 5 2HD ARG 5 10.416 -9.059 2.957 45 HE ARG 5 HE ARG 5 8.454 -9.175 5.112 46 1HH1 ARG 5 1HH1 ARG 5 11.741 -8.621 4.100 47 2HH1 ARG 5 2HH1 ARG 5 12.183 -7.786 5.552 48 1HH2 ARG 5 1HH2 ARG 5 9.027 -8.078 7.027 49 2HH2 ARG 5 2HH2 ARG 5 10.641 -7.478 7.217 50 H CYS 6 H CYS 6 8.136 -10.042 0.084 51 HA CYS 6 HA CYS 6 9.172 -8.670 -2.228 52 1HB CYS 6 1HB CYS 6 9.316 -11.633 -1.746 53 2HB CYS 6 2HB CYS 6 10.380 -10.616 -2.713 54 H GLU 7 H GLU 7 6.685 -11.095 -1.562 55 HA GLU 7 HA GLU 7 6.041 -11.960 -4.078 56 1HB GLU 7 1HB GLU 7 4.374 -11.328 -1.674 57 2HB GLU 7 2HB GLU 7 3.559 -11.705 -3.185 58 1HG GLU 7 1HG GLU 7 5.498 -13.683 -2.895 59 2HG GLU 7 2HG GLU 7 4.812 -13.463 -1.286 60 H LEU 8 H LEU 8 4.911 -9.000 -2.511 61 HA LEU 8 HA LEU 8 3.573 -7.969 -4.783 62 1HB LEU 8 1HB LEU 8 3.062 -7.261 -2.487 63 2HB LEU 8 2HB LEU 8 4.651 -6.539 -2.351 64 HG LEU 8 HG LEU 8 2.521 -5.078 -2.868 65 1HD1 LEU 8 1HD1 LEU 8 5.281 -4.799 -3.989 66 2HD1 LEU 8 2HD1 LEU 8 4.060 -3.551 -4.233 67 3HD1 LEU 8 3HD1 LEU 8 4.554 -3.991 -2.599 68 1HD2 LEU 8 1HD2 LEU 8 1.968 -6.425 -4.913 69 2HD2 LEU 8 2HD2 LEU 8 2.095 -4.686 -5.174 70 3HD2 LEU 8 3HD2 LEU 8 3.413 -5.751 -5.665 71 H ALA 9 H ALA 9 6.875 -7.573 -3.489 72 HA ALA 9 HA ALA 9 7.645 -5.483 -5.215 73 1HB ALA 9 1HB ALA 9 9.170 -7.527 -3.665 74 2HB ALA 9 2HB ALA 9 9.081 -5.779 -3.438 75 3HB ALA 9 3HB ALA 9 9.997 -6.448 -4.789 76 H ALA 10 H ALA 10 8.199 -9.005 -5.534 77 HA ALA 10 HA ALA 10 9.490 -9.020 -7.958 78 1HB ALA 10 1HB ALA 10 8.851 -11.285 -8.180 79 2HB ALA 10 2HB ALA 10 7.384 -11.047 -7.230 80 3HB ALA 10 3HB ALA 10 8.963 -10.995 -6.444 81 H ALA 11 H ALA 11 6.050 -8.740 -7.230 82 HA ALA 11 HA ALA 11 5.131 -8.879 -9.881 83 1HB ALA 11 1HB ALA 11 3.923 -7.579 -7.461 84 2HB ALA 11 2HB ALA 11 3.562 -9.182 -8.100 85 3HB ALA 11 3HB ALA 11 3.089 -7.745 -9.006 86 H MET 12 H MET 12 6.333 -6.345 -7.929 87 HA MET 12 HA MET 12 5.657 -4.146 -9.583 88 1HB MET 12 1HB MET 12 8.160 -4.196 -7.928 89 2HB MET 12 2HB MET 12 7.111 -2.844 -8.271 90 1HG MET 12 1HG MET 12 6.247 -5.167 -6.600 91 2HG MET 12 2HG MET 12 7.026 -3.736 -5.931 92 1HE MET 12 1HE MET 12 6.271 -1.395 -6.852 93 2HE MET 12 2HE MET 12 5.333 -1.630 -8.325 94 3HE MET 12 3HE MET 12 4.576 -0.912 -6.905 95 H LYS 13 H LYS 13 8.628 -6.065 -9.295 96 HA LYS 13 HA LYS 13 10.235 -4.801 -11.131 97 1HB LYS 13 1HB LYS 13 10.498 -7.030 -9.642 98 2HB LYS 13 2HB LYS 13 10.261 -7.766 -11.221 99 1HG LYS 13 1HG LYS 13 12.234 -5.566 -11.025 100 2HG LYS 13 2HG LYS 13 12.657 -7.117 -10.297 101 1HD LYS 13 1HD LYS 13 11.508 -7.567 -12.877 102 2HD LYS 13 2HD LYS 13 12.800 -6.373 -13.015 103 1HE LYS 13 1HE LYS 13 13.488 -8.624 -11.295 104 2HE LYS 13 2HE LYS 13 13.125 -9.102 -12.953 105 1HZ LYS 13 1HZ LYS 13 14.816 -6.785 -12.773 106 2HZ LYS 13 2HZ LYS 13 15.506 -8.164 -12.078 107 3HZ LYS 13 3HZ LYS 13 15.006 -8.190 -13.693 108 H ARG 14 H ARG 14 7.979 -7.474 -11.771 109 HA ARG 14 HA ARG 14 8.338 -7.523 -14.553 110 1HB ARG 14 1HB ARG 14 5.996 -8.355 -12.833 111 2HB ARG 14 2HB ARG 14 6.079 -8.654 -14.564 112 1HG ARG 14 1HG ARG 14 8.390 -9.752 -13.900 113 2HG ARG 14 2HG ARG 14 7.577 -9.923 -12.344 114 1HD ARG 14 1HD ARG 14 7.122 -11.914 -13.515 115 2HD ARG 14 2HD ARG 14 5.648 -10.953 -13.623 116 HE ARG 14 HE ARG 14 6.214 -10.452 -15.902 117 1HH1 ARG 14 1HH1 ARG 14 8.157 -12.917 -14.389 118 2HH1 ARG 14 2HH1 ARG 14 8.681 -13.606 -15.887 119 1HH2 ARG 14 1HH2 ARG 14 6.899 -11.354 -17.882 120 2HH2 ARG 14 2HH2 ARG 14 7.966 -12.718 -17.873 121 H HIS 15 H HIS 15 6.283 -5.582 -12.460 122 HA HIS 15 HA HIS 15 4.722 -4.500 -14.583 123 1HB HIS 15 1HB HIS 15 4.972 -4.074 -11.655 124 2HB HIS 15 2HB HIS 15 4.283 -2.759 -12.600 125 HD1 HIS 15 HD1 HIS 15 2.798 -4.709 -10.496 126 HD2 HIS 15 HD2 HIS 15 2.544 -4.808 -14.642 127 HE1 HIS 15 HE1 HIS 15 0.612 -5.840 -11.008 128 HE2 HIS 15 HE2 HIS 15 0.518 -5.964 -13.523 129 H GLY 16 H GLY 16 7.942 -3.953 -13.816 130 1HA GLY 16 1HA GLY 16 8.038 -1.719 -15.529 131 2HA GLY 16 2HA GLY 16 9.378 -2.431 -14.660 132 H LEU 17 H LEU 17 7.961 -1.876 -11.967 133 HA LEU 17 HA LEU 17 8.007 1.033 -12.040 134 1HB LEU 17 1HB LEU 17 7.669 -0.567 -9.537 135 2HB LEU 17 2HB LEU 17 7.067 1.035 -9.905 136 HG LEU 17 HG LEU 17 5.899 -1.610 -10.484 137 1HD1 LEU 17 1HD1 LEU 17 5.181 0.316 -8.849 138 2HD1 LEU 17 2HD1 LEU 17 4.412 0.968 -10.297 139 3HD1 LEU 17 3HD1 LEU 17 3.969 -0.635 -9.709 140 1HD2 LEU 17 1HD2 LEU 17 5.617 0.716 -12.392 141 2HD2 LEU 17 2HD2 LEU 17 6.248 -0.889 -12.760 142 3HD2 LEU 17 3HD2 LEU 17 4.545 -0.684 -12.355 143 H ASP 18 H ASP 18 10.255 -1.175 -12.003 144 HA ASP 18 HA ASP 18 11.927 -0.343 -9.841 145 1HB ASP 18 1HB ASP 18 12.505 -2.469 -10.470 146 2HB ASP 18 2HB ASP 18 12.222 -2.163 -12.174 147 H ASN 19 H ASN 19 12.119 1.845 -9.948 148 HA ASN 19 HA ASN 19 13.084 3.831 -10.433 149 1HB ASN 19 1HB ASN 19 15.091 2.158 -10.759 150 2HB ASN 19 2HB ASN 19 14.895 2.568 -12.460 151 2HD2 ASN 19 2HD2 ASN 19 14.882 4.287 -9.350 152 1HD2 ASN 19 1HD2 ASN 19 15.943 5.553 -9.855 153 H TYR 20 H TYR 20 10.792 3.038 -11.849 154 HA TYR 20 HA TYR 20 11.011 3.658 -14.629 155 1HB TYR 20 1HB TYR 20 9.125 2.363 -13.604 156 2HB TYR 20 2HB TYR 20 8.581 3.841 -12.825 157 HD1 TYR 20 HD1 TYR 20 9.437 2.605 -16.254 158 HD2 TYR 20 HD2 TYR 20 6.891 5.021 -13.847 159 HE1 TYR 20 HE1 TYR 20 8.089 3.150 -18.236 160 HE2 TYR 20 HE2 TYR 20 5.535 5.572 -15.823 161 HH TYR 20 HH TYR 20 5.264 5.296 -18.006 162 H ARG 21 H ARG 21 9.566 5.618 -15.439 163 HA ARG 21 HA ARG 21 10.772 7.946 -15.239 164 1HB ARG 21 1HB ARG 21 7.785 7.533 -15.247 165 2HB ARG 21 2HB ARG 21 8.531 9.106 -15.490 166 1HG ARG 21 1HG ARG 21 9.298 6.782 -17.208 167 2HG ARG 21 2HG ARG 21 7.836 7.711 -17.543 168 1HD ARG 21 1HD ARG 21 9.010 9.621 -18.069 169 2HD ARG 21 2HD ARG 21 10.411 9.151 -17.108 170 HE ARG 21 HE ARG 21 10.681 7.376 -18.947 171 1HH1 ARG 21 1HH1 ARG 21 9.439 10.595 -19.437 172 2HH1 ARG 21 2HH1 ARG 21 9.973 10.689 -21.082 173 1HH2 ARG 21 1HH2 ARG 21 11.387 7.491 -21.112 174 2HH2 ARG 21 2HH2 ARG 21 11.079 8.924 -22.035 175 H GLY 22 H GLY 22 8.890 6.519 -12.747 176 1HA GLY 22 1HA GLY 22 8.164 7.387 -10.674 177 2HA GLY 22 2HA GLY 22 9.013 8.885 -11.033 178 H TYR 23 H TYR 23 9.116 5.954 -9.378 179 HA TYR 23 HA TYR 23 11.976 6.341 -8.792 180 1HB TYR 23 1HB TYR 23 9.706 5.843 -6.890 181 2HB TYR 23 2HB TYR 23 11.383 5.574 -6.432 182 HD1 TYR 23 HD1 TYR 23 9.173 8.206 -7.887 183 HD2 TYR 23 HD2 TYR 23 12.588 7.333 -5.506 184 HE1 TYR 23 HE1 TYR 23 9.385 10.590 -7.332 185 HE2 TYR 23 HE2 TYR 23 12.811 9.716 -4.944 186 HH TYR 23 HH TYR 23 11.985 11.756 -5.205 187 H SER 24 H SER 24 12.739 4.462 -7.261 188 HA SER 24 HA SER 24 12.738 2.124 -8.908 189 1HB SER 24 1HB SER 24 14.467 1.310 -7.440 190 2HB SER 24 2HB SER 24 14.773 3.016 -7.765 191 HG SER 24 HG SER 24 14.842 2.148 -5.475 192 H LEU 25 H LEU 25 12.443 -0.024 -8.075 193 HA LEU 25 HA LEU 25 9.951 -0.628 -7.211 194 1HB LEU 25 1HB LEU 25 12.537 -2.112 -6.853 195 2HB LEU 25 2HB LEU 25 11.018 -2.793 -6.309 196 HG LEU 25 HG LEU 25 11.939 -2.254 -9.106 197 1HD1 LEU 25 1HD1 LEU 25 12.380 -4.435 -8.011 198 2HD1 LEU 25 2HD1 LEU 25 10.639 -4.660 -7.849 199 3HD1 LEU 25 3HD1 LEU 25 11.368 -4.555 -9.451 200 1HD2 LEU 25 1HD2 LEU 25 9.136 -2.350 -8.087 201 2HD2 LEU 25 2HD2 LEU 25 9.843 -1.333 -9.343 202 3HD2 LEU 25 3HD2 LEU 25 9.517 -3.036 -9.667 203 H GLY 26 H GLY 26 12.802 -0.537 -5.045 204 1HA GLY 26 1HA GLY 26 12.956 0.062 -2.830 205 2HA GLY 26 2HA GLY 26 11.653 -1.099 -2.650 206 H ASN 27 H ASN 27 11.479 2.031 -4.307 207 HA ASN 27 HA ASN 27 10.304 3.439 -2.149 208 1HB ASN 27 1HB ASN 27 10.370 3.925 -5.122 209 2HB ASN 27 2HB ASN 27 9.532 5.012 -4.017 210 2HD2 ASN 27 2HD2 ASN 27 12.671 3.412 -4.417 211 1HD2 ASN 27 1HD2 ASN 27 13.616 4.754 -3.879 212 H TRP 28 H TRP 28 9.022 1.479 -4.735 213 HA TRP 28 HA TRP 28 6.279 2.154 -4.372 214 1HB TRP 28 1HB TRP 28 7.590 -0.230 -5.666 215 2HB TRP 28 2HB TRP 28 5.867 0.139 -5.748 216 HD1 TRP 28 HD1 TRP 28 9.210 1.176 -7.168 217 HE1 TRP 28 HE1 TRP 28 8.840 2.862 -9.063 218 HE3 TRP 28 HE3 TRP 28 4.213 1.965 -6.547 219 HZ2 TRP 28 HZ2 TRP 28 6.694 4.329 -10.179 220 HZ3 TRP 28 HZ3 TRP 28 3.050 3.514 -8.058 221 HH2 TRP 28 HH2 TRP 28 4.271 4.681 -9.846 222 H VAL 29 H VAL 29 8.369 -0.447 -3.173 223 HA VAL 29 HA VAL 29 6.341 -1.928 -1.922 224 HB VAL 29 HB VAL 29 9.285 -1.766 -1.271 225 1HG1 VAL 29 1HG1 VAL 29 7.103 -3.290 -0.088 226 2HG1 VAL 29 2HG1 VAL 29 8.442 -4.299 -0.634 227 3HG1 VAL 29 3HG1 VAL 29 8.734 -2.991 0.512 228 1HG2 VAL 29 1HG2 VAL 29 8.623 -2.410 -3.627 229 2HG2 VAL 29 2HG2 VAL 29 9.624 -3.571 -2.754 230 3HG2 VAL 29 3HG2 VAL 29 7.892 -3.854 -2.926 231 H CYS 30 H CYS 30 8.635 0.451 -0.625 232 HA CYS 30 HA CYS 30 7.745 0.336 2.018 233 1HB CYS 30 1HB CYS 30 9.849 1.446 1.113 234 2HB CYS 30 2HB CYS 30 8.827 2.821 0.704 235 H ALA 31 H ALA 31 6.734 2.511 -0.637 236 HA ALA 31 HA ALA 31 4.951 4.053 0.875 237 1HB ALA 31 1HB ALA 31 4.998 3.408 -2.066 238 2HB ALA 31 2HB ALA 31 3.928 4.603 -1.335 239 3HB ALA 31 3HB ALA 31 5.676 4.825 -1.265 240 H ALA 32 H ALA 32 4.387 1.149 -1.094 241 HA ALA 32 HA ALA 32 1.598 1.045 -0.627 242 1HB ALA 32 1HB ALA 32 1.933 -0.287 -2.388 243 2HB ALA 32 2HB ALA 32 2.301 -1.538 -1.201 244 3HB ALA 32 3HB ALA 32 3.608 -0.611 -1.937 245 H LYS 33 H LYS 33 4.328 -0.696 0.869 246 HA LYS 33 HA LYS 33 3.058 -2.431 2.513 247 1HB LYS 33 1HB LYS 33 5.469 -2.339 2.347 248 2HB LYS 33 2HB LYS 33 5.495 -0.755 3.108 249 1HG LYS 33 1HG LYS 33 4.685 -1.719 5.188 250 2HG LYS 33 2HG LYS 33 4.606 -3.310 4.428 251 1HD LYS 33 1HD LYS 33 7.206 -2.236 3.997 252 2HD LYS 33 2HD LYS 33 6.814 -2.071 5.710 253 1HE LYS 33 1HE LYS 33 6.255 -4.446 5.814 254 2HE LYS 33 2HE LYS 33 6.619 -4.614 4.098 255 1HZ LYS 33 1HZ LYS 33 8.912 -3.741 4.735 256 2HZ LYS 33 2HZ LYS 33 8.483 -4.105 6.330 257 3HZ LYS 33 3HZ LYS 33 8.536 -5.331 5.168 258 H PHE 34 H PHE 34 4.017 0.855 3.492 259 HA PHE 34 HA PHE 34 2.500 0.678 5.884 260 1HB PHE 34 1HB PHE 34 4.200 2.671 4.632 261 2HB PHE 34 2HB PHE 34 3.013 3.292 5.760 262 HD1 PHE 34 HD1 PHE 34 3.030 2.423 8.112 263 HD2 PHE 34 HD2 PHE 34 6.165 1.615 5.350 264 HE1 PHE 34 HE1 PHE 34 4.515 1.822 9.980 265 HE2 PHE 34 HE2 PHE 34 7.656 1.011 7.213 266 HZ PHE 34 HZ PHE 34 6.831 1.115 9.532 267 H GLU 35 H GLU 35 1.759 1.722 2.684 268 HA GLU 35 HA GLU 35 -0.274 3.542 3.200 269 1HB GLU 35 1HB GLU 35 0.867 2.260 0.983 270 2HB GLU 35 2HB GLU 35 -0.848 1.877 0.913 271 1HG GLU 35 1HG GLU 35 -1.468 4.082 0.653 272 2HG GLU 35 2HG GLU 35 0.022 4.694 1.369 273 H SER 36 H SER 36 -0.597 0.095 2.415 274 HA SER 36 HA SER 36 -3.164 0.075 3.876 275 1HB SER 36 1HB SER 36 -3.833 -1.656 2.072 276 2HB SER 36 2HB SER 36 -3.793 0.041 1.598 277 HG SER 36 HG SER 36 -2.081 -0.320 0.387 278 H ASN 37 H ASN 37 -0.227 -0.964 4.299 279 HA ASN 37 HA ASN 37 0.758 -2.767 5.308 280 1HB ASN 37 1HB ASN 37 -1.788 -2.525 6.479 281 2HB ASN 37 2HB ASN 37 -1.613 -4.237 6.101 282 2HD2 ASN 37 2HD2 ASN 37 0.718 -5.034 6.649 283 1HD2 ASN 37 1HD2 ASN 37 1.260 -4.622 8.237 284 H PHE 38 H PHE 38 -0.104 -2.777 2.557 285 HA PHE 38 HA PHE 38 0.104 -4.049 0.757 286 1HB PHE 38 1HB PHE 38 0.695 -6.157 2.813 287 2HB PHE 38 2HB PHE 38 0.597 -6.543 1.095 288 HD1 PHE 38 HD1 PHE 38 1.839 -4.446 -0.293 289 HD2 PHE 38 HD2 PHE 38 2.890 -6.043 3.505 290 HE1 PHE 38 HE1 PHE 38 4.139 -3.649 -0.610 291 HE2 PHE 38 HE2 PHE 38 5.197 -5.243 3.200 292 HZ PHE 38 HZ PHE 38 5.828 -4.056 1.138 293 H ASN 39 H ASN 39 -2.434 -3.581 2.246 294 HA ASN 39 HA ASN 39 -4.063 -5.863 1.478 295 1HB ASN 39 1HB ASN 39 -4.360 -4.229 3.544 296 2HB ASN 39 2HB ASN 39 -5.270 -3.283 2.372 297 2HD2 ASN 39 2HD2 ASN 39 -5.985 -4.921 4.810 298 1HD2 ASN 39 1HD2 ASN 39 -7.276 -5.934 4.273 299 H THR 40 H THR 40 -4.433 -6.065 -0.611 300 HA THR 40 HA THR 40 -4.595 -3.757 -2.353 301 HB THR 40 HB THR 40 -4.256 -5.200 -4.103 302 HG1 THR 40 HG1 THR 40 -4.995 -7.622 -3.203 303 1HG2 THR 40 1HG2 THR 40 -2.792 -5.787 -1.829 304 2HG2 THR 40 2HG2 THR 40 -3.296 -7.366 -2.432 305 3HG2 THR 40 3HG2 THR 40 -2.398 -6.267 -3.480 306 H GLN 41 H GLN 41 -6.707 -5.956 -0.765 307 HA GLN 41 HA GLN 41 -8.986 -5.224 -2.428 308 1HB GLN 41 1HB GLN 41 -8.353 -7.366 -0.481 309 2HB GLN 41 2HB GLN 41 -10.028 -6.865 -0.584 310 1HG GLN 41 1HG GLN 41 -8.697 -7.364 -3.155 311 2HG GLN 41 2HG GLN 41 -8.916 -8.774 -2.119 312 2HE2 GLN 41 2HE2 GLN 41 -10.751 -9.819 -2.349 313 1HE2 GLN 41 1HE2 GLN 41 -12.226 -9.167 -2.968 314 H ALA 42 H ALA 42 -7.460 -3.816 0.077 315 HA ALA 42 HA ALA 42 -9.792 -3.183 1.677 316 1HB ALA 42 1HB ALA 42 -8.033 -1.679 2.853 317 2HB ALA 42 2HB ALA 42 -6.875 -2.621 1.916 318 3HB ALA 42 3HB ALA 42 -7.962 -3.430 3.044 319 H THR 43 H THR 43 -10.247 -0.977 2.276 320 HA THR 43 HA THR 43 -9.817 0.993 0.122 321 HB THR 43 HB THR 43 -12.044 1.538 -0.065 322 HG1 THR 43 HG1 THR 43 -12.633 2.042 1.984 323 1HG2 THR 43 1HG2 THR 43 -11.626 -0.955 -0.564 324 2HG2 THR 43 2HG2 THR 43 -12.525 -1.257 0.923 325 3HG2 THR 43 3HG2 THR 43 -13.296 -0.407 -0.417 326 H ASN 44 H ASN 44 -9.716 3.191 0.861 327 HA ASN 44 HA ASN 44 -9.835 3.570 3.770 328 1HB ASN 44 1HB ASN 44 -7.449 3.185 2.804 329 2HB ASN 44 2HB ASN 44 -7.613 4.828 2.190 330 2HD2 ASN 44 2HD2 ASN 44 -7.752 6.544 3.647 331 1HD2 ASN 44 1HD2 ASN 44 -7.253 6.382 5.293 332 H ARG 45 H ARG 45 -11.677 4.790 3.688 333 HA ARG 45 HA ARG 45 -12.217 6.824 1.826 334 1HB ARG 45 1HB ARG 45 -13.872 5.671 3.345 335 2HB ARG 45 2HB ARG 45 -13.273 6.686 4.650 336 1HG ARG 45 1HG ARG 45 -13.835 8.637 3.019 337 2HG ARG 45 2HG ARG 45 -14.872 7.436 2.248 338 1HD ARG 45 1HD ARG 45 -15.908 7.012 4.481 339 2HD ARG 45 2HD ARG 45 -14.973 8.367 5.113 340 HE ARG 45 HE ARG 45 -16.346 9.330 2.919 341 1HH1 ARG 45 1HH1 ARG 45 -17.136 7.911 6.001 342 2HH1 ARG 45 2HH1 ARG 45 -18.640 8.757 6.150 343 1HH2 ARG 45 1HH2 ARG 45 -18.323 10.448 3.106 344 2HH2 ARG 45 2HH2 ARG 45 -19.315 10.199 4.504 345 H ASN 46 H ASN 46 -11.516 8.843 1.638 346 HA ASN 46 HA ASN 46 -9.771 9.931 3.716 347 1HB ASN 46 1HB ASN 46 -10.269 11.137 1.002 348 2HB ASN 46 2HB ASN 46 -8.889 11.381 2.067 349 2HD2 ASN 46 2HD2 ASN 46 -9.929 9.852 -0.648 350 1HD2 ASN 46 1HD2 ASN 46 -8.757 8.585 -0.733 351 H THR 47 H THR 47 -9.903 12.494 3.665 352 HA THR 47 HA THR 47 -12.626 13.107 4.534 353 HB THR 47 HB THR 47 -11.591 15.149 5.542 354 HG1 THR 47 HG1 THR 47 -9.142 14.779 5.702 355 1HG2 THR 47 1HG2 THR 47 -11.901 12.978 6.769 356 2HG2 THR 47 2HG2 THR 47 -10.216 12.608 6.405 357 3HG2 THR 47 3HG2 THR 47 -10.615 14.007 7.401 358 H ASP 48 H ASP 48 -10.366 13.904 2.031 359 HA ASP 48 HA ASP 48 -11.517 16.393 1.272 360 1HB ASP 48 1HB ASP 48 -10.137 16.259 -0.687 361 2HB ASP 48 2HB ASP 48 -9.204 15.643 0.672 362 H GLY 49 H GLY 49 -12.719 13.304 1.098 363 1HA GLY 49 1HA GLY 49 -14.661 14.137 -0.952 364 2HA GLY 49 2HA GLY 49 -14.949 12.934 0.295 365 H SER 50 H SER 50 -12.631 11.393 -0.028 366 HA SER 50 HA SER 50 -13.345 9.991 -2.480 367 1HB SER 50 1HB SER 50 -10.699 9.696 -2.740 368 2HB SER 50 2HB SER 50 -11.578 11.013 -3.515 369 HG SER 50 HG SER 50 -9.612 11.187 -1.763 370 H THR 51 H THR 51 -11.154 8.189 -2.409 371 HA THR 51 HA THR 51 -10.972 7.008 0.202 372 HB THR 51 HB THR 51 -12.378 5.343 -1.877 373 HG1 THR 51 HG1 THR 51 -14.238 6.182 -1.301 374 1HG2 THR 51 1HG2 THR 51 -11.125 4.579 0.384 375 2HG2 THR 51 2HG2 THR 51 -12.738 4.900 1.019 376 3HG2 THR 51 3HG2 THR 51 -12.521 3.736 -0.289 377 H ASP 52 H ASP 52 -9.684 4.952 0.123 378 HA ASP 52 HA ASP 52 -7.888 4.943 -2.214 379 1HB ASP 52 1HB ASP 52 -7.229 4.175 0.638 380 2HB ASP 52 2HB ASP 52 -6.106 4.211 -0.716 381 H TYR 53 H TYR 53 -9.135 3.428 -3.319 382 HA TYR 53 HA TYR 53 -9.676 0.886 -2.063 383 1HB TYR 53 1HB TYR 53 -10.264 2.005 -4.789 384 2HB TYR 53 2HB TYR 53 -10.538 0.314 -4.392 385 HD1 TYR 53 HD1 TYR 53 -11.556 3.773 -3.578 386 HD2 TYR 53 HD2 TYR 53 -12.426 -0.368 -3.141 387 HE1 TYR 53 HE1 TYR 53 -13.770 4.338 -2.669 388 HE2 TYR 53 HE2 TYR 53 -14.643 0.186 -2.234 389 HH TYR 53 HH TYR 53 -15.975 3.309 -2.415 390 H GLY 54 H GLY 54 -7.443 0.344 -1.679 391 1HA GLY 54 1HA GLY 54 -5.860 -0.313 -4.046 392 2HA GLY 54 2HA GLY 54 -6.472 -1.696 -3.168 393 H ILE 55 H ILE 55 -4.005 -1.815 -3.483 394 HA ILE 55 HA ILE 55 -2.842 -1.526 -0.857 395 HB ILE 55 HB ILE 55 -2.510 -3.533 -2.392 396 1HG1 ILE 55 1HG1 ILE 55 0.018 -2.152 -1.461 397 2HG1 ILE 55 2HG1 ILE 55 -1.077 -3.050 -0.413 398 1HG2 ILE 55 1HG2 ILE 55 -1.389 -1.426 -4.051 399 2HG2 ILE 55 2HG2 ILE 55 -0.287 -2.787 -3.844 400 3HG2 ILE 55 3HG2 ILE 55 -1.908 -3.054 -4.484 401 1HD1 ILE 55 1HD1 ILE 55 -0.209 -4.574 -2.735 402 2HD1 ILE 55 2HD1 ILE 55 1.119 -4.066 -1.691 403 3HD1 ILE 55 3HD1 ILE 55 -0.215 -5.009 -1.026 404 H LEU 56 H LEU 56 -2.943 0.191 -3.801 405 HA LEU 56 HA LEU 56 -0.723 1.921 -2.948 406 1HB LEU 56 1HB LEU 56 -1.051 0.620 -5.414 407 2HB LEU 56 2HB LEU 56 -1.492 2.288 -5.720 408 HG LEU 56 HG LEU 56 0.790 2.251 -6.232 409 1HD1 LEU 56 1HD1 LEU 56 0.000 3.832 -4.229 410 2HD1 LEU 56 2HD1 LEU 56 1.247 2.915 -3.384 411 3HD1 LEU 56 3HD1 LEU 56 1.653 3.815 -4.845 412 1HD2 LEU 56 1HD2 LEU 56 0.811 0.024 -4.438 413 2HD2 LEU 56 2HD2 LEU 56 2.011 0.498 -5.640 414 3HD2 LEU 56 3HD2 LEU 56 2.107 1.139 -3.999 415 H GLN 57 H GLN 57 -3.848 1.700 -2.654 416 HA GLN 57 HA GLN 57 -5.511 3.152 -2.212 417 1HB GLN 57 1HB GLN 57 -3.484 5.318 -2.773 418 2HB GLN 57 2HB GLN 57 -5.023 5.522 -1.948 419 1HG GLN 57 1HG GLN 57 -4.169 3.879 -0.229 420 2HG GLN 57 2HG GLN 57 -2.589 4.053 -0.989 421 2HE2 GLN 57 2HE2 GLN 57 -2.219 6.578 -1.468 422 1HE2 GLN 57 1HE2 GLN 57 -2.366 7.556 -0.052 423 H ILE 58 H ILE 58 -6.334 2.209 -4.352 424 HA ILE 58 HA ILE 58 -6.150 4.034 -6.592 425 HB ILE 58 HB ILE 58 -7.902 1.589 -6.372 426 1HG1 ILE 58 1HG1 ILE 58 -5.784 0.676 -5.994 427 2HG1 ILE 58 2HG1 ILE 58 -5.945 0.565 -7.744 428 1HG2 ILE 58 1HG2 ILE 58 -7.814 3.554 -8.284 429 2HG2 ILE 58 2HG2 ILE 58 -6.764 2.305 -8.957 430 3HG2 ILE 58 3HG2 ILE 58 -8.427 1.916 -8.518 431 1HD1 ILE 58 1HD1 ILE 58 -4.444 2.703 -6.249 432 2HD1 ILE 58 2HD1 ILE 58 -3.729 1.328 -7.090 433 3HD1 ILE 58 3HD1 ILE 58 -4.587 2.571 -8.001 434 H ASN 59 H ASN 59 -7.122 5.892 -5.835 435 HA ASN 59 HA ASN 59 -9.537 6.095 -4.498 436 1HB ASN 59 1HB ASN 59 -7.909 7.936 -4.814 437 2HB ASN 59 2HB ASN 59 -8.378 8.038 -6.509 438 2HD2 ASN 59 2HD2 ASN 59 -8.650 10.306 -5.432 439 1HD2 ASN 59 1HD2 ASN 59 -10.263 10.675 -4.934 440 H SER 60 H SER 60 -11.237 4.884 -5.250 441 HA SER 60 HA SER 60 -11.899 4.564 -7.966 442 1HB SER 60 1HB SER 60 -13.736 3.358 -7.222 443 2HB SER 60 2HB SER 60 -12.661 3.240 -5.829 444 HG SER 60 HG SER 60 -15.040 3.998 -5.654 445 H ARG 61 H ARG 61 -12.171 7.269 -5.992 446 HA ARG 61 HA ARG 61 -14.415 8.359 -7.545 447 1HB ARG 61 1HB ARG 61 -14.173 8.420 -4.900 448 2HB ARG 61 2HB ARG 61 -13.199 9.839 -5.256 449 1HG ARG 61 1HG ARG 61 -15.662 9.915 -6.737 450 2HG ARG 61 2HG ARG 61 -15.973 9.699 -5.014 451 1HD ARG 61 1HD ARG 61 -14.372 11.616 -4.619 452 2HD ARG 61 2HD ARG 61 -14.427 11.903 -6.357 453 HE ARG 61 HE ARG 61 -17.046 11.791 -5.299 454 1HH1 ARG 61 1HH1 ARG 61 -14.232 13.843 -5.423 455 2HH1 ARG 61 2HH1 ARG 61 -15.134 15.310 -5.238 456 1HH2 ARG 61 1HH2 ARG 61 -18.242 13.718 -5.057 457 2HH2 ARG 61 2HH2 ARG 61 -17.413 15.238 -5.031 458 H TRP 62 H TRP 62 -11.627 7.968 -8.431 459 HA TRP 62 HA TRP 62 -11.285 10.535 -9.666 460 1HB TRP 62 1HB TRP 62 -9.930 10.102 -7.242 461 2HB TRP 62 2HB TRP 62 -8.715 9.977 -8.509 462 HD1 TRP 62 HD1 TRP 62 -11.051 12.477 -6.834 463 HE1 TRP 62 HE1 TRP 62 -10.400 14.853 -7.580 464 HE3 TRP 62 HE3 TRP 62 -7.661 11.287 -10.471 465 HZ2 TRP 62 HZ2 TRP 62 -8.678 16.062 -9.461 466 HZ3 TRP 62 HZ3 TRP 62 -6.557 13.113 -11.697 467 HH2 TRP 62 HH2 TRP 62 -7.056 15.450 -11.202 468 H TRP 63 H TRP 63 -10.656 7.168 -9.576 469 HA TRP 63 HA TRP 63 -9.171 7.460 -12.086 470 1HB TRP 63 1HB TRP 63 -8.409 5.557 -9.870 471 2HB TRP 63 2HB TRP 63 -7.675 5.609 -11.469 472 HD1 TRP 63 HD1 TRP 63 -6.892 6.715 -8.133 473 HE1 TRP 63 HE1 TRP 63 -5.284 8.725 -8.146 474 HE3 TRP 63 HE3 TRP 63 -7.407 8.111 -13.000 475 HZ2 TRP 63 HZ2 TRP 63 -4.362 10.664 -9.998 476 HZ3 TRP 63 HZ3 TRP 63 -6.171 10.049 -13.823 477 HH2 TRP 63 HH2 TRP 63 -4.661 11.304 -12.356 478 H CYS 64 H CYS 64 -11.605 5.739 -10.309 479 HA CYS 64 HA CYS 64 -12.078 4.201 -12.743 480 1HB CYS 64 1HB CYS 64 -11.968 2.106 -11.815 481 2HB CYS 64 2HB CYS 64 -10.729 2.915 -10.869 482 H ASN 65 H ASN 65 -14.164 3.353 -13.006 483 HA ASN 65 HA ASN 65 -16.182 4.941 -11.622 484 1HB ASN 65 1HB ASN 65 -16.170 4.786 -14.111 485 2HB ASN 65 2HB ASN 65 -16.507 3.064 -13.973 486 2HD2 ASN 65 2HD2 ASN 65 -17.755 6.279 -13.393 487 1HD2 ASN 65 1HD2 ASN 65 -19.421 5.828 -13.328 488 H ASP 66 H ASP 66 -16.690 4.062 -9.701 489 HA ASP 66 HA ASP 66 -17.157 1.175 -9.534 490 1HB ASP 66 1HB ASP 66 -17.017 1.408 -7.152 491 2HB ASP 66 2HB ASP 66 -15.676 2.307 -7.855 492 H GLY 67 H GLY 67 -18.815 4.184 -9.633 493 1HA GLY 67 1HA GLY 67 -21.357 2.844 -9.703 494 2HA GLY 67 2HA GLY 67 -21.081 4.570 -9.885 495 H ARG 68 H ARG 68 -19.692 3.133 -7.094 496 HA ARG 68 HA ARG 68 -22.015 3.606 -5.424 497 1HB ARG 68 1HB ARG 68 -20.141 1.744 -5.224 498 2HB ARG 68 2HB ARG 68 -19.326 2.988 -4.287 499 1HG ARG 68 1HG ARG 68 -21.550 3.140 -2.984 500 2HG ARG 68 2HG ARG 68 -21.888 1.564 -3.705 501 1HD ARG 68 1HD ARG 68 -19.537 0.930 -2.829 502 2HD ARG 68 2HD ARG 68 -19.719 2.344 -1.791 503 HE ARG 68 HE ARG 68 -21.816 1.228 -0.986 504 1HH1 ARG 68 1HH1 ARG 68 -19.170 -0.615 -2.308 505 2HH1 ARG 68 2HH1 ARG 68 -19.566 -2.054 -1.430 506 1HH2 ARG 68 1HH2 ARG 68 -22.343 -0.662 0.174 507 2HH2 ARG 68 2HH2 ARG 68 -21.369 -2.081 -0.019 508 H THR 69 H THR 69 -19.591 5.498 -6.678 509 HA THR 69 HA THR 69 -20.097 7.570 -4.687 510 HB THR 69 HB THR 69 -17.261 7.197 -5.576 511 HG1 THR 69 HG1 THR 69 -18.504 5.905 -3.356 512 1HG2 THR 69 1HG2 THR 69 -18.573 8.404 -3.138 513 2HG2 THR 69 2HG2 THR 69 -16.831 8.302 -3.396 514 3HG2 THR 69 3HG2 THR 69 -17.828 9.277 -4.476 515 HA PRO 70 HA PRO 70 -20.420 9.511 -8.767 516 1HB PRO 70 1HB PRO 70 -21.782 11.693 -7.918 517 2HB PRO 70 2HB PRO 70 -22.561 10.129 -8.186 518 1HG PRO 70 1HG PRO 70 -21.636 11.368 -5.622 519 2HG PRO 70 2HG PRO 70 -23.146 10.504 -5.966 520 1HD PRO 70 1HD PRO 70 -21.041 9.336 -4.718 521 2HD PRO 70 2HD PRO 70 -22.154 8.434 -5.767 522 H GLY 71 H GLY 71 -20.034 11.916 -9.430 523 1HA GLY 71 1HA GLY 71 -18.357 13.548 -7.840 524 2HA GLY 71 2HA GLY 71 -18.590 13.698 -9.576 525 H SER 72 H SER 72 -17.696 10.739 -9.674 526 HA SER 72 HA SER 72 -14.885 10.939 -9.022 527 1HB SER 72 1HB SER 72 -15.906 8.805 -8.625 528 2HB SER 72 2HB SER 72 -16.549 8.742 -10.266 529 HG SER 72 HG SER 72 -14.660 8.116 -10.992 530 H ARG 73 H ARG 73 -13.247 11.279 -10.408 531 HA ARG 73 HA ARG 73 -13.731 12.496 -12.904 532 1HB ARG 73 1HB ARG 73 -11.603 12.394 -11.221 533 2HB ARG 73 2HB ARG 73 -11.064 11.295 -12.484 534 1HG ARG 73 1HG ARG 73 -10.479 13.016 -13.739 535 2HG ARG 73 2HG ARG 73 -12.147 13.597 -13.737 536 1HD ARG 73 1HD ARG 73 -11.450 14.465 -11.334 537 2HD ARG 73 2HD ARG 73 -9.839 14.415 -12.051 538 HE ARG 73 HE ARG 73 -12.088 16.049 -13.021 539 1HH1 ARG 73 1HH1 ARG 73 -8.680 15.338 -12.856 540 2HH1 ARG 73 2HH1 ARG 73 -8.207 16.792 -13.668 541 1HH2 ARG 73 1HH2 ARG 73 -11.473 17.966 -14.091 542 2HH2 ARG 73 2HH2 ARG 73 -9.793 18.286 -14.370 543 H ASN 74 H ASN 74 -12.793 9.233 -11.991 544 HA ASN 74 HA ASN 74 -12.668 7.262 -13.140 545 1HB ASN 74 1HB ASN 74 -15.105 7.981 -13.514 546 2HB ASN 74 2HB ASN 74 -14.591 8.499 -15.117 547 2HD2 ASN 74 2HD2 ASN 74 -16.071 6.955 -15.959 548 1HD2 ASN 74 1HD2 ASN 74 -15.643 5.283 -16.037 549 H LEU 75 H LEU 75 -10.814 9.347 -13.749 550 HA LEU 75 HA LEU 75 -10.252 9.763 -16.419 551 1HB LEU 75 1HB LEU 75 -8.760 9.597 -13.870 552 2HB LEU 75 2HB LEU 75 -7.799 9.509 -15.333 553 HG LEU 75 HG LEU 75 -9.654 11.737 -14.443 554 1HD1 LEU 75 1HD1 LEU 75 -6.670 11.512 -14.735 555 2HD1 LEU 75 2HD1 LEU 75 -7.494 13.069 -14.684 556 3HD1 LEU 75 3HD1 LEU 75 -7.610 11.966 -13.314 557 1HD2 LEU 75 1HD2 LEU 75 -8.173 11.422 -17.054 558 2HD2 LEU 75 2HD2 LEU 75 -9.917 11.524 -16.818 559 3HD2 LEU 75 3HD2 LEU 75 -8.901 12.929 -16.496 560 H CYS 76 H CYS 76 -8.306 7.690 -14.491 561 HA CYS 76 HA CYS 76 -7.100 6.088 -16.216 562 1HB CYS 76 1HB CYS 76 -7.764 6.097 -13.499 563 2HB CYS 76 2HB CYS 76 -8.067 4.471 -14.088 564 H ASN 77 H ASN 77 -10.483 5.949 -15.387 565 HA ASN 77 HA ASN 77 -12.204 4.574 -16.005 566 1HB ASN 77 1HB ASN 77 -11.474 5.838 -18.134 567 2HB ASN 77 2HB ASN 77 -10.764 4.306 -18.637 568 2HD2 ASN 77 2HD2 ASN 77 -12.009 3.072 -19.827 569 1HD2 ASN 77 1HD2 ASN 77 -13.736 3.078 -19.848 570 H ILE 78 H ILE 78 -11.023 3.028 -14.456 571 HA ILE 78 HA ILE 78 -10.437 0.569 -15.935 572 HB ILE 78 HB ILE 78 -8.508 0.252 -14.901 573 1HG1 ILE 78 1HG1 ILE 78 -10.188 0.060 -12.674 574 2HG1 ILE 78 2HG1 ILE 78 -8.504 -0.425 -12.760 575 1HG2 ILE 78 1HG2 ILE 78 -9.026 3.021 -13.851 576 2HG2 ILE 78 2HG2 ILE 78 -7.455 2.221 -13.853 577 3HG2 ILE 78 3HG2 ILE 78 -8.261 2.586 -15.380 578 1HD1 ILE 78 1HD1 ILE 78 -9.398 2.334 -11.972 579 2HD1 ILE 78 2HD1 ILE 78 -9.101 1.027 -10.825 580 3HD1 ILE 78 3HD1 ILE 78 -7.784 1.637 -11.828 581 HA PRO 79 HA PRO 79 -13.777 -1.141 -13.526 582 1HB PRO 79 1HB PRO 79 -13.265 -3.785 -13.908 583 2HB PRO 79 2HB PRO 79 -13.987 -2.768 -15.161 584 1HG PRO 79 1HG PRO 79 -11.148 -3.655 -14.842 585 2HG PRO 79 2HG PRO 79 -12.129 -3.549 -16.314 586 1HD PRO 79 1HD PRO 79 -10.290 -1.671 -15.625 587 2HD PRO 79 2HD PRO 79 -11.758 -1.290 -16.548 588 H CYS 80 H CYS 80 -13.394 -0.749 -11.379 589 HA CYS 80 HA CYS 80 -11.068 -1.591 -10.030 590 1HB CYS 80 1HB CYS 80 -13.613 -0.272 -9.280 591 2HB CYS 80 2HB CYS 80 -12.720 -1.057 -7.982 592 H SER 81 H SER 81 -14.428 -2.750 -9.574 593 HA SER 81 HA SER 81 -14.003 -4.724 -7.761 594 1HB SER 81 1HB SER 81 -15.934 -5.941 -8.979 595 2HB SER 81 2HB SER 81 -16.231 -4.328 -8.330 596 HG SER 81 HG SER 81 -16.591 -5.109 -10.789 597 H ALA 82 H ALA 82 -13.597 -5.115 -11.285 598 HA ALA 82 HA ALA 82 -12.852 -7.886 -11.009 599 1HB ALA 82 1HB ALA 82 -13.679 -7.768 -13.080 600 2HB ALA 82 2HB ALA 82 -13.383 -6.034 -13.201 601 3HB ALA 82 3HB ALA 82 -12.083 -7.176 -13.538 602 H LEU 83 H LEU 83 -11.234 -4.929 -10.829 603 HA LEU 83 HA LEU 83 -8.628 -6.184 -11.342 604 1HB LEU 83 1HB LEU 83 -9.494 -3.316 -11.255 605 2HB LEU 83 2HB LEU 83 -7.797 -3.767 -11.199 606 HG LEU 83 HG LEU 83 -9.616 -4.712 -13.400 607 1HD1 LEU 83 1HD1 LEU 83 -9.359 -2.120 -13.073 608 2HD1 LEU 83 2HD1 LEU 83 -7.781 -2.407 -13.805 609 3HD1 LEU 83 3HD1 LEU 83 -9.251 -2.850 -14.674 610 1HD2 LEU 83 1HD2 LEU 83 -7.378 -5.806 -12.914 611 2HD2 LEU 83 2HD2 LEU 83 -7.635 -5.224 -14.559 612 3HD2 LEU 83 3HD2 LEU 83 -6.641 -4.293 -13.439 613 H LEU 84 H LEU 84 -10.571 -5.723 -8.769 614 HA LEU 84 HA LEU 84 -8.401 -5.104 -6.892 615 1HB LEU 84 1HB LEU 84 -11.389 -5.308 -6.522 616 2HB LEU 84 2HB LEU 84 -10.262 -5.038 -5.206 617 HG LEU 84 HG LEU 84 -10.347 -3.200 -7.567 618 1HD1 LEU 84 1HD1 LEU 84 -12.611 -3.585 -6.278 619 2HD1 LEU 84 2HD1 LEU 84 -11.849 -2.529 -5.089 620 3HD1 LEU 84 3HD1 LEU 84 -12.088 -1.967 -6.744 621 1HD2 LEU 84 1HD2 LEU 84 -8.876 -3.363 -5.115 622 2HD2 LEU 84 2HD2 LEU 84 -8.691 -2.229 -6.453 623 3HD2 LEU 84 3HD2 LEU 84 -9.821 -1.875 -5.145 624 H SER 85 H SER 85 -9.664 -7.687 -8.384 625 HA SER 85 HA SER 85 -9.930 -9.552 -6.247 626 1HB SER 85 1HB SER 85 -10.537 -9.542 -8.967 627 2HB SER 85 2HB SER 85 -9.316 -10.803 -8.792 628 HG SER 85 HG SER 85 -11.906 -10.682 -7.810 629 H SER 86 H SER 86 -7.623 -8.437 -5.661 630 HA SER 86 HA SER 86 -5.540 -8.964 -4.909 631 1HB SER 86 1HB SER 86 -6.694 -11.404 -5.032 632 2HB SER 86 2HB SER 86 -5.420 -11.616 -6.233 633 HG SER 86 HG SER 86 -4.265 -10.439 -4.223 634 H ASP 87 H ASP 87 -6.113 -7.715 -7.380 635 HA ASP 87 HA ASP 87 -3.728 -8.425 -8.946 636 1HB ASP 87 1HB ASP 87 -5.969 -8.892 -9.981 637 2HB ASP 87 2HB ASP 87 -6.285 -7.164 -9.927 638 H ILE 88 H ILE 88 -2.180 -6.868 -8.790 639 HA ILE 88 HA ILE 88 -2.969 -4.190 -7.978 640 HB ILE 88 HB ILE 88 -0.343 -3.912 -8.178 641 1HG1 ILE 88 1HG1 ILE 88 -0.388 -6.776 -7.338 642 2HG1 ILE 88 2HG1 ILE 88 -0.385 -6.413 -9.061 643 1HG2 ILE 88 1HG2 ILE 88 -1.821 -5.304 -5.959 644 2HG2 ILE 88 2HG2 ILE 88 -0.189 -4.655 -5.805 645 3HG2 ILE 88 3HG2 ILE 88 -1.539 -3.573 -6.147 646 1HD1 ILE 88 1HD1 ILE 88 1.608 -4.939 -7.500 647 2HD1 ILE 88 2HD1 ILE 88 1.832 -6.688 -7.535 648 3HD1 ILE 88 3HD1 ILE 88 1.760 -5.778 -9.044 649 H THR 89 H THR 89 -2.436 -5.838 -10.861 650 HA THR 89 HA THR 89 -1.001 -4.225 -12.509 651 HB THR 89 HB THR 89 -3.694 -5.248 -13.396 652 HG1 THR 89 HG1 THR 89 -2.490 -6.860 -12.148 653 1HG2 THR 89 1HG2 THR 89 -1.169 -4.425 -14.675 654 2HG2 THR 89 2HG2 THR 89 -1.908 -5.888 -15.327 655 3HG2 THR 89 3HG2 THR 89 -2.820 -4.378 -15.292 656 H ALA 90 H ALA 90 -4.471 -3.779 -11.800 657 HA ALA 90 HA ALA 90 -4.777 -1.421 -13.213 658 1HB ALA 90 1HB ALA 90 -6.441 -3.074 -11.834 659 2HB ALA 90 2HB ALA 90 -6.442 -1.625 -10.829 660 3HB ALA 90 3HB ALA 90 -6.902 -1.521 -12.529 661 H SER 91 H SER 91 -3.891 -2.028 -9.858 662 HA SER 91 HA SER 91 -3.938 0.633 -8.959 663 1HB SER 91 1HB SER 91 -2.205 -1.632 -7.950 664 2HB SER 91 2HB SER 91 -2.630 -0.167 -7.067 665 HG SER 91 HG SER 91 -4.913 -1.086 -7.705 666 H VAL 92 H VAL 92 -1.465 -1.266 -10.534 667 HA VAL 92 HA VAL 92 0.485 0.831 -10.196 668 HB VAL 92 HB VAL 92 0.648 -1.766 -11.722 669 1HG1 VAL 92 1HG1 VAL 92 2.636 0.500 -11.499 670 2HG1 VAL 92 2HG1 VAL 92 3.084 -1.132 -11.993 671 3HG1 VAL 92 3HG1 VAL 92 1.951 -0.195 -12.967 672 1HG2 VAL 92 1HG2 VAL 92 1.259 -0.921 -9.016 673 2HG2 VAL 92 2HG2 VAL 92 1.200 -2.545 -9.701 674 3HG2 VAL 92 3HG2 VAL 92 2.678 -1.590 -9.824 675 H ASN 93 H ASN 93 -1.222 -0.591 -12.996 676 HA ASN 93 HA ASN 93 -0.157 0.945 -14.930 677 1HB ASN 93 1HB ASN 93 -1.583 -0.269 -16.103 678 2HB ASN 93 2HB ASN 93 -2.405 -0.706 -14.628 679 2HD2 ASN 93 2HD2 ASN 93 -4.292 0.324 -14.055 680 1HD2 ASN 93 1HD2 ASN 93 -5.145 1.379 -15.127 681 H CYS 94 H CYS 94 -2.779 1.697 -12.753 682 HA CYS 94 HA CYS 94 -3.384 4.235 -13.832 683 1HB CYS 94 1HB CYS 94 -4.661 2.699 -12.079 684 2HB CYS 94 2HB CYS 94 -3.793 3.711 -10.926 685 H ALA 95 H ALA 95 -1.379 3.225 -11.048 686 HA ALA 95 HA ALA 95 -0.538 5.869 -10.445 687 1HB ALA 95 1HB ALA 95 -0.409 3.804 -8.955 688 2HB ALA 95 2HB ALA 95 1.116 3.483 -9.783 689 3HB ALA 95 3HB ALA 95 0.900 4.986 -8.885 690 H LYS 96 H LYS 96 0.585 3.439 -12.655 691 HA LYS 96 HA LYS 96 3.142 4.322 -13.226 692 1HB LYS 96 1HB LYS 96 1.323 2.499 -14.355 693 2HB LYS 96 2HB LYS 96 1.711 3.620 -15.652 694 1HG LYS 96 1HG LYS 96 3.974 3.069 -15.617 695 2HG LYS 96 2HG LYS 96 3.866 2.343 -14.012 696 1HD LYS 96 1HD LYS 96 3.654 0.368 -15.021 697 2HD LYS 96 2HD LYS 96 2.064 0.900 -15.572 698 1HE LYS 96 1HE LYS 96 4.401 1.805 -17.146 699 2HE LYS 96 2HE LYS 96 3.995 0.091 -17.239 700 1HZ LYS 96 1HZ LYS 96 1.598 1.350 -17.515 701 2HZ LYS 96 2HZ LYS 96 2.653 2.343 -18.389 702 3HZ LYS 96 3HZ LYS 96 2.524 0.700 -18.772 703 H LYS 97 H LYS 97 -0.009 5.305 -14.221 704 HA LYS 97 HA LYS 97 0.862 7.472 -15.926 705 1HB LYS 97 1HB LYS 97 -1.318 6.098 -16.153 706 2HB LYS 97 2HB LYS 97 -1.934 7.128 -14.867 707 1HG LYS 97 1HG LYS 97 -1.001 9.012 -16.524 708 2HG LYS 97 2HG LYS 97 -1.382 7.749 -17.696 709 1HD LYS 97 1HD LYS 97 -3.519 7.957 -15.808 710 2HD LYS 97 2HD LYS 97 -3.152 9.560 -16.449 711 1HE LYS 97 1HE LYS 97 -3.866 9.038 -18.524 712 2HE LYS 97 2HE LYS 97 -3.239 7.392 -18.437 713 1HZ LYS 97 1HZ LYS 97 -5.726 8.356 -17.128 714 2HZ LYS 97 2HZ LYS 97 -5.656 7.432 -18.545 715 3HZ LYS 97 3HZ LYS 97 -5.131 6.773 -17.078 716 H ILE 98 H ILE 98 -0.190 7.011 -12.621 717 HA ILE 98 HA ILE 98 -0.670 9.691 -11.961 718 HB ILE 98 HB ILE 98 0.246 7.429 -10.205 719 1HG1 ILE 98 1HG1 ILE 98 -2.481 8.725 -10.492 720 2HG1 ILE 98 2HG1 ILE 98 -2.015 7.226 -11.286 721 1HG2 ILE 98 1HG2 ILE 98 0.111 10.245 -9.661 722 2HG2 ILE 98 2HG2 ILE 98 -1.058 9.376 -8.667 723 3HG2 ILE 98 3HG2 ILE 98 0.647 8.929 -8.616 724 1HD1 ILE 98 1HD1 ILE 98 -1.850 7.520 -8.313 725 2HD1 ILE 98 2HD1 ILE 98 -3.359 7.090 -9.119 726 3HD1 ILE 98 3HD1 ILE 98 -1.946 6.050 -9.283 727 H VAL 99 H VAL 99 2.178 7.695 -11.543 728 HA VAL 99 HA VAL 99 3.870 9.802 -10.668 729 HB VAL 99 HB VAL 99 4.124 7.255 -10.296 730 1HG1 VAL 99 1HG1 VAL 99 4.404 7.129 -12.964 731 2HG1 VAL 99 2HG1 VAL 99 6.096 7.281 -12.488 732 3HG1 VAL 99 3HG1 VAL 99 5.118 5.957 -11.856 733 1HG2 VAL 99 1HG2 VAL 99 6.386 9.166 -10.802 734 2HG2 VAL 99 2HG2 VAL 99 5.620 8.759 -9.266 735 3HG2 VAL 99 3HG2 VAL 99 6.625 7.569 -10.091 736 H SER 100 H SER 100 2.884 8.688 -13.780 737 HA SER 100 HA SER 100 5.137 9.939 -15.141 738 1HB SER 100 1HB SER 100 2.808 8.264 -15.995 739 2HB SER 100 2HB SER 100 3.590 9.299 -17.189 740 HG SER 100 HG SER 100 5.092 7.565 -15.546 741 H ASP 101 H ASP 101 2.249 10.862 -13.806 742 HA ASP 101 HA ASP 101 1.713 13.006 -15.722 743 1HB ASP 101 1HB ASP 101 -0.137 11.589 -14.694 744 2HB ASP 101 2HB ASP 101 0.187 12.432 -13.182 745 H GLY 102 H GLY 102 3.531 12.482 -12.962 746 1HA GLY 102 1HA GLY 102 3.634 15.387 -12.431 747 2HA GLY 102 2HA GLY 102 5.022 14.317 -12.318 748 H ASN 103 H ASN 103 3.922 12.203 -10.892 749 HA ASN 103 HA ASN 103 3.750 13.415 -8.252 750 1HB ASN 103 1HB ASN 103 1.594 11.701 -9.464 751 2HB ASN 103 2HB ASN 103 1.834 11.762 -7.721 752 2HD2 ASN 103 2HD2 ASN 103 0.303 13.158 -10.331 753 1HD2 ASN 103 1HD2 ASN 103 -0.208 14.629 -9.585 754 H GLY 104 H GLY 104 5.677 12.531 -7.640 755 1HA GLY 104 1HA GLY 104 7.236 10.911 -7.115 756 2HA GLY 104 2HA GLY 104 6.376 9.805 -8.175 757 H MET 105 H MET 105 7.528 9.542 -5.405 758 HA MET 105 HA MET 105 5.392 7.980 -4.299 759 1HB MET 105 1HB MET 105 7.856 8.590 -2.735 760 2HB MET 105 2HB MET 105 6.984 7.074 -2.900 761 1HG MET 105 1HG MET 105 8.753 8.319 -4.991 762 2HG MET 105 2HG MET 105 9.190 6.978 -3.933 763 1HE MET 105 1HE MET 105 7.159 5.067 -3.677 764 2HE MET 105 2HE MET 105 5.750 5.923 -4.304 765 3HE MET 105 3HE MET 105 6.303 4.442 -5.087 766 H ASN 106 H ASN 106 6.083 11.162 -4.334 767 HA ASN 106 HA ASN 106 5.626 11.911 -1.636 768 1HB ASN 106 1HB ASN 106 5.927 13.247 -4.266 769 2HB ASN 106 2HB ASN 106 5.085 14.140 -3.019 770 2HD2 ASN 106 2HD2 ASN 106 6.230 15.130 -1.471 771 1HD2 ASN 106 1HD2 ASN 106 7.941 14.991 -1.272 772 H ALA 107 H ALA 107 3.595 11.550 -4.510 773 HA ALA 107 HA ALA 107 1.276 12.794 -3.684 774 1HB ALA 107 1HB ALA 107 1.996 11.202 -5.807 775 2HB ALA 107 2HB ALA 107 0.395 11.886 -5.529 776 3HB ALA 107 3HB ALA 107 0.755 10.243 -4.998 777 H TRP 108 H TRP 108 2.296 9.455 -3.068 778 HA TRP 108 HA TRP 108 0.047 8.944 -1.341 779 1HB TRP 108 1HB TRP 108 2.538 7.302 -1.867 780 2HB TRP 108 2HB TRP 108 1.111 6.744 -0.994 781 HD1 TRP 108 HD1 TRP 108 -1.140 6.343 -2.457 782 HE1 TRP 108 HE1 TRP 108 -1.468 5.836 -4.960 783 HE3 TRP 108 HE3 TRP 108 3.467 7.736 -4.180 784 HZ2 TRP 108 HZ2 TRP 108 0.029 6.007 -7.365 785 HZ3 TRP 108 HZ3 TRP 108 3.937 7.537 -6.584 786 HH2 TRP 108 HH2 TRP 108 2.258 6.688 -8.139 787 H VAL 109 H VAL 109 -0.073 9.379 0.741 788 HA VAL 109 HA VAL 109 1.985 10.771 2.096 789 HB VAL 109 HB VAL 109 -0.114 9.702 3.747 790 1HG1 VAL 109 1HG1 VAL 109 1.332 12.223 3.322 791 2HG1 VAL 109 2HG1 VAL 109 -0.320 12.370 3.922 792 3HG1 VAL 109 3HG1 VAL 109 0.865 11.424 4.823 793 1HG2 VAL 109 1HG2 VAL 109 -1.309 9.863 1.597 794 2HG2 VAL 109 2HG2 VAL 109 -1.919 11.002 2.797 795 3HG2 VAL 109 3HG2 VAL 109 -0.857 11.565 1.506 796 H ALA 110 H ALA 110 1.107 7.399 2.093 797 HA ALA 110 HA ALA 110 2.244 6.751 4.606 798 1HB ALA 110 1HB ALA 110 2.117 4.824 2.313 799 2HB ALA 110 2HB ALA 110 1.922 4.513 4.038 800 3HB ALA 110 3HB ALA 110 0.655 5.352 3.145 801 H TRP 111 H TRP 111 3.613 7.523 1.597 802 HA TRP 111 HA TRP 111 6.137 6.213 2.221 803 1HB TRP 111 1HB TRP 111 5.356 6.191 -0.115 804 2HB TRP 111 2HB TRP 111 5.434 7.945 -0.155 805 HD1 TRP 111 HD1 TRP 111 7.576 4.861 -0.488 806 HE1 TRP 111 HE1 TRP 111 9.982 5.546 -1.093 807 HE3 TRP 111 HE3 TRP 111 7.198 9.907 0.252 808 HZ2 TRP 111 HZ2 TRP 111 11.516 7.910 -1.238 809 HZ3 TRP 111 HZ3 TRP 111 9.182 11.308 -0.142 810 HH2 TRP 111 HH2 TRP 111 11.295 10.330 -0.871 811 H ARG 112 H ARG 112 4.718 9.466 2.200 812 HA ARG 112 HA ARG 112 7.289 10.621 2.929 813 1HB ARG 112 1HB ARG 112 4.666 11.635 2.006 814 2HB ARG 112 2HB ARG 112 5.591 12.676 3.077 815 1HG ARG 112 1HG ARG 112 6.971 11.487 0.730 816 2HG ARG 112 2HG ARG 112 5.844 12.818 0.461 817 1HD ARG 112 1HD ARG 112 8.230 12.841 2.307 818 2HD ARG 112 2HD ARG 112 8.113 13.651 0.745 819 HE ARG 112 HE ARG 112 6.347 15.043 1.755 820 1HH1 ARG 112 1HH1 ARG 112 8.571 13.357 3.842 821 2HH1 ARG 112 2HH1 ARG 112 8.362 14.455 5.166 822 1HH2 ARG 112 1HH2 ARG 112 6.067 16.493 3.491 823 2HH2 ARG 112 2HH2 ARG 112 6.938 16.238 4.966 824 H ASN 113 H ASN 113 6.367 8.817 4.793 825 HA ASN 113 HA ASN 113 6.010 10.561 7.088 826 1HB ASN 113 1HB ASN 113 3.829 9.077 6.007 827 2HB ASN 113 2HB ASN 113 4.277 8.343 7.543 828 2HD2 ASN 113 2HD2 ASN 113 4.535 9.865 9.377 829 1HD2 ASN 113 1HD2 ASN 113 3.430 11.189 9.483 830 H ARG 114 H ARG 114 5.774 7.092 6.390 831 HA ARG 114 HA ARG 114 7.779 6.597 8.475 832 1HB ARG 114 1HB ARG 114 5.459 5.092 7.405 833 2HB ARG 114 2HB ARG 114 6.845 4.153 7.929 834 1HG ARG 114 1HG ARG 114 5.791 6.254 9.747 835 2HG ARG 114 2HG ARG 114 4.886 4.748 9.575 836 1HD ARG 114 1HD ARG 114 6.825 3.464 10.234 837 2HD ARG 114 2HD ARG 114 7.811 4.925 10.287 838 HE ARG 114 HE ARG 114 6.215 5.639 12.120 839 1HH1 ARG 114 1HH1 ARG 114 6.952 2.299 11.449 840 2HH1 ARG 114 2HH1 ARG 114 6.642 1.772 13.071 841 1HH2 ARG 114 1HH2 ARG 114 5.806 4.953 14.256 842 2HH2 ARG 114 2HH2 ARG 114 5.991 3.280 14.665 843 H CYS 115 H CYS 115 7.850 7.123 5.310 844 HA CYS 115 HA CYS 115 9.816 4.990 4.799 845 1HB CYS 115 1HB CYS 115 7.898 6.382 2.951 846 2HB CYS 115 2HB CYS 115 9.314 5.532 2.338 847 H LYS 116 H LYS 116 9.087 8.409 4.052 848 HA LYS 116 HA LYS 116 11.595 8.969 2.902 849 1HB LYS 116 1HB LYS 116 9.350 10.327 2.916 850 2HB LYS 116 2HB LYS 116 10.030 11.065 4.359 851 1HG LYS 116 1HG LYS 116 12.064 11.104 2.422 852 2HG LYS 116 2HG LYS 116 10.583 11.617 1.610 853 1HD LYS 116 1HD LYS 116 10.215 13.323 3.291 854 2HD LYS 116 2HD LYS 116 11.627 12.772 4.195 855 1HE LYS 116 1HE LYS 116 12.146 14.763 2.887 856 2HE LYS 116 2HE LYS 116 13.068 13.373 2.318 857 1HZ LYS 116 1HZ LYS 116 10.540 13.752 0.981 858 2HZ LYS 116 2HZ LYS 116 11.642 15.014 0.741 859 3HZ LYS 116 3HZ LYS 116 12.069 13.429 0.334 860 H GLY 117 H GLY 117 13.238 8.150 4.204 861 1HA GLY 117 1HA GLY 117 13.475 9.234 6.917 862 2HA GLY 117 2HA GLY 117 14.751 9.600 5.768 863 H THR 118 H THR 118 13.638 6.582 4.974 864 HA THR 118 HA THR 118 15.646 5.292 6.700 865 HB THR 118 HB THR 118 14.305 3.196 6.443 866 HG1 THR 118 HG1 THR 118 12.104 4.775 5.680 867 1HG2 THR 118 1HG2 THR 118 14.060 5.099 8.298 868 2HG2 THR 118 2HG2 THR 118 12.423 5.152 7.643 869 3HG2 THR 118 3HG2 THR 118 13.062 3.645 8.300 870 H ASP 119 H ASP 119 15.157 2.768 5.146 871 HA ASP 119 HA ASP 119 16.422 3.491 2.611 872 1HB ASP 119 1HB ASP 119 17.953 2.630 4.535 873 2HB ASP 119 2HB ASP 119 17.349 1.086 3.981 874 H VAL 120 H VAL 120 15.032 2.876 1.093 875 HA VAL 120 HA VAL 120 13.233 0.677 1.437 876 HB VAL 120 HB VAL 120 12.576 1.150 -0.916 877 1HG1 VAL 120 1HG1 VAL 120 12.294 2.838 1.371 878 2HG1 VAL 120 2HG1 VAL 120 12.324 3.832 -0.086 879 3HG1 VAL 120 3HG1 VAL 120 11.145 2.530 0.068 880 1HG2 VAL 120 1HG2 VAL 120 15.085 2.568 -0.890 881 2HG2 VAL 120 2HG2 VAL 120 14.055 2.135 -2.255 882 3HG2 VAL 120 3HG2 VAL 120 13.768 3.636 -1.374 883 H GLN 121 H GLN 121 16.322 1.219 -0.095 884 HA GLN 121 HA GLN 121 16.401 -1.000 -1.806 885 1HB GLN 121 1HB GLN 121 18.559 0.520 -0.345 886 2HB GLN 121 2HB GLN 121 18.933 -0.834 -1.402 887 1HG GLN 121 1HG GLN 121 17.320 1.506 -2.351 888 2HG GLN 121 2HG GLN 121 19.083 1.515 -2.374 889 2HE2 GLN 121 2HE2 GLN 121 20.142 0.444 -3.947 890 1HE2 GLN 121 1HE2 GLN 121 19.372 -0.443 -5.213 891 H ALA 122 H ALA 122 16.611 -0.680 1.608 892 HA ALA 122 HA ALA 122 17.651 -3.368 2.006 893 1HB ALA 122 1HB ALA 122 18.002 -1.115 3.443 894 2HB ALA 122 2HB ALA 122 16.653 -1.837 4.321 895 3HB ALA 122 3HB ALA 122 18.156 -2.738 4.116 896 H TRP 123 H TRP 123 14.653 -1.704 1.769 897 HA TRP 123 HA TRP 123 13.040 -3.394 3.371 898 1HB TRP 123 1HB TRP 123 12.549 -1.418 1.202 899 2HB TRP 123 2HB TRP 123 11.262 -2.567 1.552 900 HD1 TRP 123 HD1 TRP 123 11.651 0.760 2.230 901 HE1 TRP 123 HE1 TRP 123 10.891 1.488 4.579 902 HE3 TRP 123 HE3 TRP 123 11.637 -3.774 4.563 903 HZ2 TRP 123 HZ2 TRP 123 10.365 0.266 7.058 904 HZ3 TRP 123 HZ3 TRP 123 10.994 -3.916 6.913 905 HH2 TRP 123 HH2 TRP 123 10.364 -1.914 8.149 906 H ILE 124 H ILE 124 14.613 -3.918 0.408 907 HA ILE 124 HA ILE 124 13.056 -6.384 0.001 908 HB ILE 124 HB ILE 124 13.537 -6.160 -2.447 909 1HG1 ILE 124 1HG1 ILE 124 13.906 -3.232 -2.120 910 2HG1 ILE 124 2HG1 ILE 124 15.301 -4.247 -1.769 911 1HG2 ILE 124 1HG2 ILE 124 11.831 -4.056 -1.130 912 2HG2 ILE 124 2HG2 ILE 124 11.758 -4.469 -2.843 913 3HG2 ILE 124 3HG2 ILE 124 11.338 -5.675 -1.627 914 1HD1 ILE 124 1HD1 ILE 124 15.004 -5.280 -4.024 915 2HD1 ILE 124 2HD1 ILE 124 13.780 -4.055 -4.351 916 3HD1 ILE 124 3HD1 ILE 124 15.447 -3.573 -4.036 917 H ARG 125 H ARG 125 15.822 -5.386 1.136 918 HA ARG 125 HA ARG 125 17.819 -6.652 -0.403 919 1HB ARG 125 1HB ARG 125 17.709 -5.136 1.960 920 2HB ARG 125 2HB ARG 125 18.445 -6.666 2.416 921 1HG ARG 125 1HG ARG 125 19.717 -5.983 0.052 922 2HG ARG 125 2HG ARG 125 19.548 -4.455 0.918 923 1HD ARG 125 1HD ARG 125 20.337 -6.271 2.864 924 2HD ARG 125 2HD ARG 125 21.294 -6.705 1.449 925 HE ARG 125 HE ARG 125 21.340 -4.129 2.849 926 1HH1 ARG 125 1HH1 ARG 125 22.633 -6.277 0.430 927 2HH1 ARG 125 2HH1 ARG 125 24.073 -5.348 0.188 928 1HH2 ARG 125 1HH2 ARG 125 23.234 -2.897 2.537 929 2HH2 ARG 125 2HH2 ARG 125 24.415 -3.426 1.386 930 H GLY 126 H GLY 126 17.648 -8.746 -0.934 931 1HA GLY 126 1HA GLY 126 17.348 -10.672 1.278 932 2HA GLY 126 2HA GLY 126 18.209 -10.985 -0.222 933 H CYS 127 H CYS 127 15.503 -9.330 -1.066 934 HA CYS 127 HA CYS 127 13.465 -11.235 -0.872 935 1HB CYS 127 1HB CYS 127 13.906 -8.774 -2.360 936 2HB CYS 127 2HB CYS 127 12.663 -9.835 -2.989 937 H ARG 128 H ARG 128 12.359 -11.720 -3.251 938 HA ARG 128 HA ARG 128 14.415 -13.171 -4.782 939 1HB ARG 128 1HB ARG 128 12.303 -14.282 -3.274 940 2HB ARG 128 2HB ARG 128 11.858 -14.472 -4.963 941 1HG ARG 128 1HG ARG 128 13.070 -16.345 -4.840 942 2HG ARG 128 2HG ARG 128 14.451 -15.262 -5.017 943 1HD ARG 128 1HD ARG 128 14.314 -15.078 -2.433 944 2HD ARG 128 2HD ARG 128 13.367 -16.561 -2.548 945 HE ARG 128 HE ARG 128 15.793 -16.783 -4.006 946 1HH1 ARG 128 1HH1 ARG 128 14.499 -16.815 -0.770 947 2HH1 ARG 128 2HH1 ARG 128 15.766 -17.813 -0.137 948 1HH2 ARG 128 1HH2 ARG 128 17.462 -18.096 -3.180 949 2HH2 ARG 128 2HH2 ARG 128 17.450 -18.540 -1.506 950 H LEU 129 H LEU 129 14.352 -11.216 -6.122 951 HA LEU 129 HA LEU 129 12.555 -11.572 -8.336 952 1HB LEU 129 1HB LEU 129 11.925 -9.054 -8.209 953 2HB LEU 129 2HB LEU 129 11.012 -10.228 -7.280 954 HG LEU 129 HG LEU 129 13.225 -9.213 -5.726 955 1HD1 LEU 129 1HD1 LEU 129 11.426 -7.226 -7.065 956 2HD1 LEU 129 2HD1 LEU 129 12.110 -6.914 -5.469 957 3HD1 LEU 129 3HD1 LEU 129 13.176 -7.176 -6.849 958 1HD2 LEU 129 1HD2 LEU 129 11.101 -10.367 -4.982 959 2HD2 LEU 129 2HD2 LEU 129 11.558 -8.923 -4.079 960 3HD2 LEU 129 3HD2 LEU 129 10.274 -8.838 -5.284 No H/Q in entry = 960 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -7.907 -8.343 0.337 2 H2 LYS 1 H2 LYS 1 -7.560 -8.659 -1.288 3 H3 LYS 1 H3 LYS 1 -8.506 -9.742 -0.398 4 HA LYS 1 HA LYS 1 -6.658 -10.314 0.998 5 1HB LYS 1 1HB LYS 1 -6.850 -10.760 -1.835 6 2HB LYS 1 2HB LYS 1 -5.157 -10.751 -1.361 7 1HG LYS 1 1HG LYS 1 -6.999 -12.328 0.327 8 2HG LYS 1 2HG LYS 1 -6.675 -12.939 -1.296 9 1HD LYS 1 1HD LYS 1 -4.343 -12.043 0.295 10 2HD LYS 1 2HD LYS 1 -5.138 -13.531 0.810 11 1HE LYS 1 1HE LYS 1 -4.671 -13.332 -2.078 12 2HE LYS 1 2HE LYS 1 -3.203 -13.372 -1.101 13 1HZ LYS 1 1HZ LYS 1 -5.043 -15.313 -0.181 14 2HZ LYS 1 2HZ LYS 1 -4.786 -15.516 -1.841 15 3HZ LYS 1 3HZ LYS 1 -3.473 -15.532 -0.773 16 H VAL 2 H VAL 2 -4.450 -10.101 1.553 17 HA VAL 2 HA VAL 2 -3.275 -7.516 0.766 18 HB VAL 2 HB VAL 2 -2.981 -9.040 3.357 19 1HG1 VAL 2 1HG1 VAL 2 -0.977 -7.621 2.254 20 2HG1 VAL 2 2HG1 VAL 2 -1.837 -6.333 3.093 21 3HG1 VAL 2 3HG1 VAL 2 -1.247 -7.730 3.993 22 1HG2 VAL 2 1HG2 VAL 2 -4.926 -7.254 2.564 23 2HG2 VAL 2 2HG2 VAL 2 -4.516 -7.675 4.227 24 3HG2 VAL 2 3HG2 VAL 2 -3.793 -6.255 3.472 25 H PHE 3 H PHE 3 -1.456 -7.628 -0.443 26 HA PHE 3 HA PHE 3 -0.150 -10.086 -0.985 27 1HB PHE 3 1HB PHE 3 0.637 -7.210 -1.476 28 2HB PHE 3 2HB PHE 3 1.624 -8.569 -1.995 29 HD1 PHE 3 HD1 PHE 3 -2.046 -8.671 -2.103 30 HD2 PHE 3 HD2 PHE 3 1.536 -7.988 -4.289 31 HE1 PHE 3 HE1 PHE 3 -3.318 -8.752 -4.203 32 HE2 PHE 3 HE2 PHE 3 0.276 -8.066 -6.390 33 HZ PHE 3 HZ PHE 3 -2.153 -8.458 -6.356 34 H GLY 4 H GLY 4 2.431 -9.936 -0.835 35 1HA GLY 4 1HA GLY 4 3.859 -10.709 0.939 36 2HA GLY 4 2HA GLY 4 3.019 -9.613 2.031 37 H ARG 5 H ARG 5 5.906 -9.854 1.438 38 HA ARG 5 HA ARG 5 6.362 -7.029 0.894 39 1HB ARG 5 1HB ARG 5 8.788 -7.760 1.538 40 2HB ARG 5 2HB ARG 5 7.560 -7.600 2.786 41 1HG ARG 5 1HG ARG 5 7.180 -10.032 2.686 42 2HG ARG 5 2HG ARG 5 8.477 -10.161 1.495 43 1HD ARG 5 1HD ARG 5 9.674 -8.749 3.507 44 2HD ARG 5 2HD ARG 5 8.610 -9.833 4.400 45 HE ARG 5 HE ARG 5 9.774 -11.554 2.761 46 1HH1 ARG 5 1HH1 ARG 5 11.169 -8.941 4.595 47 2HH1 ARG 5 2HH1 ARG 5 12.707 -9.717 4.775 48 1HH2 ARG 5 1HH2 ARG 5 11.794 -12.584 2.993 49 2HH2 ARG 5 2HH2 ARG 5 13.062 -11.788 3.863 50 H CYS 6 H CYS 6 8.049 -10.027 -0.091 51 HA CYS 6 HA CYS 6 9.113 -8.675 -2.389 52 1HB CYS 6 1HB CYS 6 9.198 -11.646 -1.950 53 2HB CYS 6 2HB CYS 6 10.318 -10.622 -2.843 54 H GLU 7 H GLU 7 6.637 -11.152 -1.826 55 HA GLU 7 HA GLU 7 6.026 -11.930 -4.375 56 1HB GLU 7 1HB GLU 7 4.813 -12.316 -2.016 57 2HB GLU 7 2HB GLU 7 3.704 -11.130 -2.690 58 1HG GLU 7 1HG GLU 7 2.729 -13.072 -3.381 59 2HG GLU 7 2HG GLU 7 3.749 -12.705 -4.771 60 H LEU 8 H LEU 8 4.905 -9.018 -2.724 61 HA LEU 8 HA LEU 8 3.522 -7.927 -4.938 62 1HB LEU 8 1HB LEU 8 3.081 -7.260 -2.612 63 2HB LEU 8 2HB LEU 8 4.679 -6.552 -2.510 64 HG LEU 8 HG LEU 8 2.579 -5.044 -2.916 65 1HD1 LEU 8 1HD1 LEU 8 5.024 -4.410 -2.901 66 2HD1 LEU 8 2HD1 LEU 8 4.984 -4.579 -4.656 67 3HD1 LEU 8 3HD1 LEU 8 3.957 -3.385 -3.861 68 1HD2 LEU 8 1HD2 LEU 8 2.242 -6.582 -5.104 69 2HD2 LEU 8 2HD2 LEU 8 1.675 -4.917 -4.975 70 3HD2 LEU 8 3HD2 LEU 8 3.201 -5.269 -5.786 71 H ALA 9 H ALA 9 6.847 -7.572 -3.708 72 HA ALA 9 HA ALA 9 7.598 -5.464 -5.424 73 1HB ALA 9 1HB ALA 9 9.143 -7.524 -3.912 74 2HB ALA 9 2HB ALA 9 9.043 -5.782 -3.653 75 3HB ALA 9 3HB ALA 9 9.953 -6.419 -5.023 76 H ALA 10 H ALA 10 8.148 -8.988 -5.768 77 HA ALA 10 HA ALA 10 9.425 -8.994 -8.196 78 1HB ALA 10 1HB ALA 10 7.905 -11.204 -8.460 79 2HB ALA 10 2HB ALA 10 9.331 -11.120 -7.425 80 3HB ALA 10 3HB ALA 10 7.724 -10.912 -6.730 81 H ALA 11 H ALA 11 5.983 -8.700 -7.474 82 HA ALA 11 HA ALA 11 5.081 -8.811 -10.134 83 1HB ALA 11 1HB ALA 11 3.893 -7.719 -7.621 84 2HB ALA 11 2HB ALA 11 3.412 -9.145 -8.539 85 3HB ALA 11 3HB ALA 11 3.073 -7.534 -9.171 86 H MET 12 H MET 12 6.299 -6.311 -8.155 87 HA MET 12 HA MET 12 5.614 -4.085 -9.780 88 1HB MET 12 1HB MET 12 8.103 -4.166 -8.109 89 2HB MET 12 2HB MET 12 7.068 -2.801 -8.450 90 1HG MET 12 1HG MET 12 6.176 -5.137 -6.810 91 2HG MET 12 2HG MET 12 6.955 -3.716 -6.121 92 1HE MET 12 1HE MET 12 6.188 -1.335 -6.836 93 2HE MET 12 2HE MET 12 5.411 -1.528 -8.407 94 3HE MET 12 3HE MET 12 4.500 -0.872 -7.047 95 H LYS 13 H LYS 13 8.587 -6.013 -9.518 96 HA LYS 13 HA LYS 13 10.181 -4.722 -11.348 97 1HB LYS 13 1HB LYS 13 10.827 -6.687 -9.920 98 2HB LYS 13 2HB LYS 13 9.990 -7.725 -11.067 99 1HG LYS 13 1HG LYS 13 12.174 -7.885 -11.768 100 2HG LYS 13 2HG LYS 13 11.544 -6.618 -12.821 101 1HD LYS 13 1HD LYS 13 12.983 -5.122 -12.008 102 2HD LYS 13 2HD LYS 13 12.554 -5.522 -10.343 103 1HE LYS 13 1HE LYS 13 14.506 -6.546 -10.091 104 2HE LYS 13 2HE LYS 13 14.074 -7.675 -11.374 105 1HZ LYS 13 1HZ LYS 13 14.821 -5.472 -12.744 106 2HZ LYS 13 2HZ LYS 13 15.888 -5.444 -11.431 107 3HZ LYS 13 3HZ LYS 13 15.815 -6.805 -12.434 108 H ARG 14 H ARG 14 7.919 -7.386 -11.995 109 HA ARG 14 HA ARG 14 8.239 -7.389 -14.785 110 1HB ARG 14 1HB ARG 14 6.520 -8.666 -12.839 111 2HB ARG 14 2HB ARG 14 5.604 -8.198 -14.264 112 1HG ARG 14 1HG ARG 14 8.191 -9.585 -14.682 113 2HG ARG 14 2HG ARG 14 6.828 -10.532 -14.080 114 1HD ARG 14 1HD ARG 14 5.976 -10.636 -16.126 115 2HD ARG 14 2HD ARG 14 5.908 -8.877 -16.203 116 HE ARG 14 HE ARG 14 8.062 -8.885 -17.230 117 1HH1 ARG 14 1HH1 ARG 14 6.646 -12.043 -16.817 118 2HH1 ARG 14 2HH1 ARG 14 7.654 -12.792 -18.008 119 1HH2 ARG 14 1HH2 ARG 14 9.395 -9.865 -18.800 120 2HH2 ARG 14 2HH2 ARG 14 9.217 -11.555 -19.135 121 H HIS 15 H HIS 15 6.187 -5.516 -12.622 122 HA HIS 15 HA HIS 15 4.587 -4.406 -14.702 123 1HB HIS 15 1HB HIS 15 4.867 -4.048 -11.767 124 2HB HIS 15 2HB HIS 15 4.150 -2.718 -12.671 125 HD1 HIS 15 HD1 HIS 15 2.851 -4.995 -10.631 126 HD2 HIS 15 HD2 HIS 15 2.276 -4.482 -14.714 127 HE1 HIS 15 HE1 HIS 15 0.640 -6.077 -11.138 128 HE2 HIS 15 HE2 HIS 15 0.355 -5.833 -13.631 129 H GLY 16 H GLY 16 7.797 -3.837 -13.920 130 1HA GLY 16 1HA GLY 16 7.877 -1.575 -15.603 131 2HA GLY 16 2HA GLY 16 9.225 -2.291 -14.748 132 H LEU 17 H LEU 17 7.759 -1.786 -12.057 133 HA LEU 17 HA LEU 17 7.809 1.118 -12.068 134 1HB LEU 17 1HB LEU 17 7.464 -0.543 -9.605 135 2HB LEU 17 2HB LEU 17 6.877 1.074 -9.925 136 HG LEU 17 HG LEU 17 5.684 -1.542 -10.578 137 1HD1 LEU 17 1HD1 LEU 17 5.036 0.722 -9.089 138 2HD1 LEU 17 2HD1 LEU 17 3.942 0.758 -10.471 139 3HD1 LEU 17 3HD1 LEU 17 3.995 -0.661 -9.426 140 1HD2 LEU 17 1HD2 LEU 17 5.912 0.628 -12.566 141 2HD2 LEU 17 2HD2 LEU 17 5.602 -1.093 -12.794 142 3HD2 LEU 17 3HD2 LEU 17 4.290 -0.016 -12.320 143 H ASP 18 H ASP 18 10.052 -1.135 -11.989 144 HA ASP 18 HA ASP 18 11.703 -0.240 -9.829 145 1HB ASP 18 1HB ASP 18 12.253 -2.403 -10.376 146 2HB ASP 18 2HB ASP 18 12.043 -2.141 -12.098 147 H ASN 19 H ASN 19 12.003 1.903 -9.968 148 HA ASN 19 HA ASN 19 12.968 3.872 -10.519 149 1HB ASN 19 1HB ASN 19 14.885 1.963 -11.047 150 2HB ASN 19 2HB ASN 19 14.801 2.844 -12.569 151 2HD2 ASN 19 2HD2 ASN 19 16.718 3.886 -12.440 152 1HD2 ASN 19 1HD2 ASN 19 17.096 5.068 -11.238 153 H TYR 20 H TYR 20 10.671 3.091 -11.900 154 HA TYR 20 HA TYR 20 10.875 3.621 -14.698 155 1HB TYR 20 1HB TYR 20 8.957 2.425 -13.615 156 2HB TYR 20 2HB TYR 20 8.471 3.946 -12.878 157 HD1 TYR 20 HD1 TYR 20 9.250 2.570 -16.271 158 HD2 TYR 20 HD2 TYR 20 6.812 5.149 -13.924 159 HE1 TYR 20 HE1 TYR 20 7.900 3.095 -18.259 160 HE2 TYR 20 HE2 TYR 20 5.456 5.680 -15.906 161 HH TYR 20 HH TYR 20 6.166 4.215 -19.065 162 H ARG 21 H ARG 21 9.511 5.606 -15.576 163 HA ARG 21 HA ARG 21 10.812 7.896 -15.410 164 1HB ARG 21 1HB ARG 21 8.195 7.183 -16.209 165 2HB ARG 21 2HB ARG 21 8.046 8.649 -15.249 166 1HG ARG 21 1HG ARG 21 9.358 9.891 -16.715 167 2HG ARG 21 2HG ARG 21 10.059 8.450 -17.456 168 1HD ARG 21 1HD ARG 21 8.100 7.976 -18.651 169 2HD ARG 21 2HD ARG 21 7.124 9.045 -17.645 170 HE ARG 21 HE ARG 21 9.042 9.914 -19.700 171 1HH1 ARG 21 1HH1 ARG 21 6.330 10.536 -17.603 172 2HH1 ARG 21 2HH1 ARG 21 5.962 12.068 -18.320 173 1HH2 ARG 21 1HH2 ARG 21 8.564 11.931 -20.652 174 2HH2 ARG 21 2HH2 ARG 21 7.231 12.861 -20.054 175 H GLY 22 H GLY 22 8.825 6.583 -12.949 176 1HA GLY 22 1HA GLY 22 8.080 7.486 -10.905 177 2HA GLY 22 2HA GLY 22 8.939 8.975 -11.278 178 H TYR 23 H TYR 23 9.001 6.087 -9.548 179 HA TYR 23 HA TYR 23 11.838 6.506 -8.902 180 1HB TYR 23 1HB TYR 23 9.534 5.950 -7.056 181 2HB TYR 23 2HB TYR 23 11.212 5.772 -6.557 182 HD1 TYR 23 HD1 TYR 23 8.862 8.252 -8.044 183 HD2 TYR 23 HD2 TYR 23 12.354 7.618 -5.699 184 HE1 TYR 23 HE1 TYR 23 8.942 10.653 -7.532 185 HE2 TYR 23 HE2 TYR 23 12.444 10.020 -5.179 186 HH TYR 23 HH TYR 23 11.163 11.956 -5.178 187 H SER 24 H SER 24 12.631 4.675 -7.373 188 HA SER 24 HA SER 24 12.628 2.302 -8.993 189 1HB SER 24 1HB SER 24 14.500 1.600 -7.673 190 2HB SER 24 2HB SER 24 14.701 3.316 -8.018 191 HG SER 24 HG SER 24 14.433 2.055 -5.631 192 H LEU 25 H LEU 25 12.573 0.175 -8.023 193 HA LEU 25 HA LEU 25 10.200 -0.616 -7.052 194 1HB LEU 25 1HB LEU 25 12.888 -1.721 -7.152 195 2HB LEU 25 2HB LEU 25 11.932 -2.400 -5.849 196 HG LEU 25 HG LEU 25 10.757 -2.257 -8.582 197 1HD1 LEU 25 1HD1 LEU 25 12.984 -3.205 -8.918 198 2HD1 LEU 25 2HD1 LEU 25 12.673 -4.389 -7.649 199 3HD1 LEU 25 3HD1 LEU 25 11.726 -4.421 -9.137 200 1HD2 LEU 25 1HD2 LEU 25 10.441 -3.931 -6.120 201 2HD2 LEU 25 2HD2 LEU 25 9.226 -3.004 -7.001 202 3HD2 LEU 25 3HD2 LEU 25 9.860 -4.501 -7.685 203 H GLY 26 H GLY 26 13.047 -0.215 -4.919 204 1HA GLY 26 1HA GLY 26 13.174 0.528 -2.741 205 2HA GLY 26 2HA GLY 26 11.969 -0.724 -2.491 206 H ASN 27 H ASN 27 11.485 2.263 -4.312 207 HA ASN 27 HA ASN 27 10.228 3.673 -2.187 208 1HB ASN 27 1HB ASN 27 10.072 4.110 -5.173 209 2HB ASN 27 2HB ASN 27 9.499 5.244 -3.954 210 2HD2 ASN 27 2HD2 ASN 27 12.128 4.202 -5.788 211 1HD2 ASN 27 1HD2 ASN 27 13.351 5.165 -5.038 212 H TRP 28 H TRP 28 9.060 1.600 -4.767 213 HA TRP 28 HA TRP 28 6.292 2.138 -4.397 214 1HB TRP 28 1HB TRP 28 7.705 -0.197 -5.674 215 2HB TRP 28 2HB TRP 28 5.967 0.092 -5.753 216 HD1 TRP 28 HD1 TRP 28 9.231 1.172 -7.262 217 HE1 TRP 28 HE1 TRP 28 8.795 2.880 -9.127 218 HE3 TRP 28 HE3 TRP 28 4.256 1.967 -6.458 219 HZ2 TRP 28 HZ2 TRP 28 6.610 4.354 -10.157 220 HZ3 TRP 28 HZ3 TRP 28 3.041 3.529 -7.920 221 HH2 TRP 28 HH2 TRP 28 4.202 4.705 -9.738 222 H VAL 29 H VAL 29 8.448 -0.446 -3.226 223 HA VAL 29 HA VAL 29 6.462 -1.949 -1.963 224 HB VAL 29 HB VAL 29 9.398 -1.725 -1.302 225 1HG1 VAL 29 1HG1 VAL 29 7.346 -3.067 0.084 226 2HG1 VAL 29 2HG1 VAL 29 8.282 -4.298 -0.761 227 3HG1 VAL 29 3HG1 VAL 29 9.087 -3.181 0.340 228 1HG2 VAL 29 1HG2 VAL 29 7.877 -3.175 -3.386 229 2HG2 VAL 29 2HG2 VAL 29 9.510 -2.507 -3.428 230 3HG2 VAL 29 3HG2 VAL 29 9.205 -4.041 -2.611 231 H CYS 30 H CYS 30 8.704 0.467 -0.635 232 HA CYS 30 HA CYS 30 7.781 0.299 1.998 233 1HB CYS 30 1HB CYS 30 9.902 1.389 1.272 234 2HB CYS 30 2HB CYS 30 8.950 2.740 0.663 235 H ALA 31 H ALA 31 6.766 2.494 -0.651 236 HA ALA 31 HA ALA 31 4.977 3.999 0.908 237 1HB ALA 31 1HB ALA 31 5.939 4.202 -1.606 238 2HB ALA 31 2HB ALA 31 4.558 5.116 -0.999 239 3HB ALA 31 3HB ALA 31 4.299 3.641 -1.930 240 H ALA 32 H ALA 32 4.432 1.190 -1.204 241 HA ALA 32 HA ALA 32 1.640 1.067 -0.776 242 1HB ALA 32 1HB ALA 32 2.531 0.012 -2.709 243 2HB ALA 32 2HB ALA 32 1.872 -1.262 -1.683 244 3HB ALA 32 3HB ALA 32 3.613 -0.990 -1.741 245 H LYS 33 H LYS 33 4.351 -0.715 0.693 246 HA LYS 33 HA LYS 33 3.043 -2.506 2.264 247 1HB LYS 33 1HB LYS 33 5.450 -2.460 2.130 248 2HB LYS 33 2HB LYS 33 5.507 -0.888 2.911 249 1HG LYS 33 1HG LYS 33 4.455 -1.999 4.926 250 2HG LYS 33 2HG LYS 33 4.791 -3.537 4.127 251 1HD LYS 33 1HD LYS 33 7.054 -1.658 4.251 252 2HD LYS 33 2HD LYS 33 6.506 -2.284 5.808 253 1HE LYS 33 1HE LYS 33 6.821 -4.238 3.605 254 2HE LYS 33 2HE LYS 33 8.298 -3.549 4.278 255 1HZ LYS 33 1HZ LYS 33 6.312 -4.504 6.183 256 2HZ LYS 33 2HZ LYS 33 7.126 -5.686 5.288 257 3HZ LYS 33 3HZ LYS 33 8.000 -4.595 6.242 258 H PHE 34 H PHE 34 4.011 0.755 3.338 259 HA PHE 34 HA PHE 34 2.466 0.500 5.712 260 1HB PHE 34 1HB PHE 34 4.237 2.499 4.578 261 2HB PHE 34 2HB PHE 34 3.045 3.104 5.710 262 HD1 PHE 34 HD1 PHE 34 2.966 2.056 8.013 263 HD2 PHE 34 HD2 PHE 34 6.185 1.437 5.298 264 HE1 PHE 34 HE1 PHE 34 4.397 1.332 9.879 265 HE2 PHE 34 HE2 PHE 34 7.621 0.711 7.160 266 HZ PHE 34 HZ PHE 34 6.727 0.659 9.454 267 H GLU 35 H GLU 35 1.804 1.749 2.552 268 HA GLU 35 HA GLU 35 -0.182 3.588 3.119 269 1HB GLU 35 1HB GLU 35 0.880 2.255 0.860 270 2HB GLU 35 2HB GLU 35 -0.866 2.067 0.791 271 1HG GLU 35 1HG GLU 35 -1.201 4.421 0.811 272 2HG GLU 35 2HG GLU 35 0.500 4.717 1.173 273 H SER 36 H SER 36 -0.630 0.189 2.206 274 HA SER 36 HA SER 36 -3.216 0.216 3.635 275 1HB SER 36 1HB SER 36 -3.939 -1.458 1.853 276 2HB SER 36 2HB SER 36 -3.700 0.194 1.288 277 HG SER 36 HG SER 36 -1.869 -1.959 1.055 278 H ASN 37 H ASN 37 -0.284 -0.892 4.082 279 HA ASN 37 HA ASN 37 0.645 -2.703 5.135 280 1HB ASN 37 1HB ASN 37 -2.157 -2.671 6.042 281 2HB ASN 37 2HB ASN 37 -1.402 -4.259 6.128 282 2HD2 ASN 37 2HD2 ASN 37 -1.838 -1.338 7.673 283 1HD2 ASN 37 1HD2 ASN 37 -0.608 -1.488 8.877 284 H PHE 38 H PHE 38 -0.255 -2.686 2.387 285 HA PHE 38 HA PHE 38 -0.084 -3.949 0.579 286 1HB PHE 38 1HB PHE 38 0.514 -6.066 2.619 287 2HB PHE 38 2HB PHE 38 0.341 -6.469 0.912 288 HD1 PHE 38 HD1 PHE 38 1.579 -4.411 -0.545 289 HD2 PHE 38 HD2 PHE 38 2.737 -6.008 3.223 290 HE1 PHE 38 HE1 PHE 38 3.887 -3.677 -0.956 291 HE2 PHE 38 HE2 PHE 38 5.050 -5.271 2.823 292 HZ PHE 38 HZ PHE 38 5.631 -4.116 0.729 293 H ASN 39 H ASN 39 -2.578 -3.450 2.149 294 HA ASN 39 HA ASN 39 -4.282 -5.667 1.340 295 1HB ASN 39 1HB ASN 39 -4.482 -4.146 3.495 296 2HB ASN 39 2HB ASN 39 -5.381 -3.099 2.404 297 2HD2 ASN 39 2HD2 ASN 39 -6.069 -4.903 4.758 298 1HD2 ASN 39 1HD2 ASN 39 -7.425 -5.813 4.193 299 H THR 40 H THR 40 -4.708 -5.752 -0.742 300 HA THR 40 HA THR 40 -4.855 -3.357 -2.361 301 HB THR 40 HB THR 40 -4.592 -4.726 -4.180 302 HG1 THR 40 HG1 THR 40 -6.021 -6.257 -4.472 303 1HG2 THR 40 1HG2 THR 40 -2.986 -5.312 -2.124 304 2HG2 THR 40 2HG2 THR 40 -3.694 -6.904 -2.405 305 3HG2 THR 40 3HG2 THR 40 -2.841 -6.075 -3.708 306 H GLN 41 H GLN 41 -6.982 -5.510 -0.763 307 HA GLN 41 HA GLN 41 -9.289 -4.651 -2.332 308 1HB GLN 41 1HB GLN 41 -8.667 -6.903 -0.508 309 2HB GLN 41 2HB GLN 41 -10.326 -6.340 -0.530 310 1HG GLN 41 1HG GLN 41 -9.159 -6.724 -3.181 311 2HG GLN 41 2HG GLN 41 -9.268 -8.193 -2.213 312 2HE2 GLN 41 2HE2 GLN 41 -10.924 -9.240 -3.118 313 1HE2 GLN 41 1HE2 GLN 41 -12.520 -8.606 -3.298 314 H ALA 42 H ALA 42 -7.619 -3.413 0.162 315 HA ALA 42 HA ALA 42 -9.827 -2.788 1.919 316 1HB ALA 42 1HB ALA 42 -7.973 -1.328 3.004 317 2HB ALA 42 2HB ALA 42 -6.894 -2.252 1.959 318 3HB ALA 42 3HB ALA 42 -7.903 -3.085 3.140 319 H THR 43 H THR 43 -10.412 -0.678 2.508 320 HA THR 43 HA THR 43 -10.077 1.350 0.389 321 HB THR 43 HB THR 43 -12.308 1.906 0.409 322 HG1 THR 43 HG1 THR 43 -12.763 0.647 2.913 323 1HG2 THR 43 1HG2 THR 43 -11.961 -0.562 -0.183 324 2HG2 THR 43 2HG2 THR 43 -12.669 -0.912 1.394 325 3HG2 THR 43 3HG2 THR 43 -13.606 -0.041 0.179 326 H ASN 44 H ASN 44 -9.748 3.490 1.092 327 HA ASN 44 HA ASN 44 -9.719 3.942 3.992 328 1HB ASN 44 1HB ASN 44 -7.408 3.711 2.330 329 2HB ASN 44 2HB ASN 44 -7.540 5.382 2.868 330 2HD2 ASN 44 2HD2 ASN 44 -8.048 2.150 4.251 331 1HD2 ASN 44 1HD2 ASN 44 -7.172 2.453 5.710 332 H ARG 45 H ARG 45 -11.443 5.311 4.009 333 HA ARG 45 HA ARG 45 -11.843 7.365 2.077 334 1HB ARG 45 1HB ARG 45 -13.571 8.176 3.735 335 2HB ARG 45 2HB ARG 45 -13.776 6.527 3.162 336 1HG ARG 45 1HG ARG 45 -12.787 5.679 5.223 337 2HG ARG 45 2HG ARG 45 -12.557 7.331 5.796 338 1HD ARG 45 1HD ARG 45 -14.541 6.920 6.811 339 2HD ARG 45 2HD ARG 45 -15.169 7.434 5.245 340 HE ARG 45 HE ARG 45 -15.153 4.940 4.728 341 1HH1 ARG 45 1HH1 ARG 45 -15.652 6.253 7.917 342 2HH1 ARG 45 2HH1 ARG 45 -16.602 4.910 8.461 343 1HH2 ARG 45 1HH2 ARG 45 -16.403 3.169 5.436 344 2HH2 ARG 45 2HH2 ARG 45 -17.029 3.158 7.051 345 H ASN 46 H ASN 46 -11.169 9.413 2.032 346 HA ASN 46 HA ASN 46 -9.564 10.382 4.301 347 1HB ASN 46 1HB ASN 46 -9.464 11.590 1.556 348 2HB ASN 46 2HB ASN 46 -8.229 11.585 2.811 349 2HD2 ASN 46 2HD2 ASN 46 -9.293 10.161 -0.021 350 1HD2 ASN 46 1HD2 ASN 46 -8.265 8.772 -0.016 351 H THR 47 H THR 47 -9.493 12.915 4.253 352 HA THR 47 HA THR 47 -12.218 13.774 4.706 353 HB THR 47 HB THR 47 -11.153 15.892 5.508 354 HG1 THR 47 HG1 THR 47 -9.024 14.820 4.249 355 1HG2 THR 47 1HG2 THR 47 -11.622 13.906 6.977 356 2HG2 THR 47 2HG2 THR 47 -9.935 13.438 6.769 357 3HG2 THR 47 3HG2 THR 47 -10.336 14.966 7.553 358 H ASP 48 H ASP 48 -10.116 13.810 2.092 359 HA ASP 48 HA ASP 48 -10.791 16.351 0.976 360 1HB ASP 48 1HB ASP 48 -9.822 15.342 -1.132 361 2HB ASP 48 2HB ASP 48 -8.743 15.382 0.258 362 H GLY 49 H GLY 49 -12.432 13.400 1.235 363 1HA GLY 49 1HA GLY 49 -14.466 14.370 -0.659 364 2HA GLY 49 2HA GLY 49 -14.758 13.261 0.672 365 H SER 50 H SER 50 -12.878 11.347 0.313 366 HA SER 50 HA SER 50 -13.979 9.834 -1.831 367 1HB SER 50 1HB SER 50 -11.498 9.506 -2.780 368 2HB SER 50 2HB SER 50 -12.592 10.735 -3.414 369 HG SER 50 HG SER 50 -10.558 11.092 -1.468 370 H THR 51 H THR 51 -12.092 7.920 -2.207 371 HA THR 51 HA THR 51 -11.208 7.027 0.436 372 HB THR 51 HB THR 51 -12.743 5.106 -1.287 373 HG1 THR 51 HG1 THR 51 -14.612 5.815 -0.509 374 1HG2 THR 51 1HG2 THR 51 -11.265 4.408 0.675 375 2HG2 THR 51 2HG2 THR 51 -12.475 5.168 1.708 376 3HG2 THR 51 3HG2 THR 51 -12.925 3.813 0.673 377 H ASP 52 H ASP 52 -9.847 5.055 0.304 378 HA ASP 52 HA ASP 52 -8.299 5.023 -2.203 379 1HB ASP 52 1HB ASP 52 -7.428 4.347 0.615 380 2HB ASP 52 2HB ASP 52 -6.404 4.256 -0.816 381 H TYR 53 H TYR 53 -9.380 3.429 -3.303 382 HA TYR 53 HA TYR 53 -9.810 0.887 -1.957 383 1HB TYR 53 1HB TYR 53 -10.547 1.697 -4.771 384 2HB TYR 53 2HB TYR 53 -11.056 0.235 -3.933 385 HD1 TYR 53 HD1 TYR 53 -12.690 0.356 -2.101 386 HD2 TYR 53 HD2 TYR 53 -11.615 3.804 -4.345 387 HE1 TYR 53 HE1 TYR 53 -14.684 1.520 -1.255 388 HE2 TYR 53 HE2 TYR 53 -13.606 4.978 -3.508 389 HH TYR 53 HH TYR 53 -15.389 3.945 -0.901 390 H GLY 54 H GLY 54 -7.497 0.470 -1.769 391 1HA GLY 54 1HA GLY 54 -6.031 -0.045 -4.208 392 2HA GLY 54 2HA GLY 54 -6.621 -1.515 -3.466 393 H ILE 55 H ILE 55 -4.232 -1.804 -3.700 394 HA ILE 55 HA ILE 55 -3.033 -1.629 -1.096 395 HB ILE 55 HB ILE 55 -2.710 -3.535 -2.809 396 1HG1 ILE 55 1HG1 ILE 55 -0.146 -2.362 -1.728 397 2HG1 ILE 55 2HG1 ILE 55 -1.356 -3.117 -0.694 398 1HG2 ILE 55 1HG2 ILE 55 -1.685 -1.367 -4.321 399 2HG2 ILE 55 2HG2 ILE 55 -0.352 -2.474 -3.988 400 3HG2 ILE 55 3HG2 ILE 55 -1.813 -3.065 -4.779 401 1HD1 ILE 55 1HD1 ILE 55 -0.729 -4.837 -2.901 402 2HD1 ILE 55 2HD1 ILE 55 0.741 -4.356 -2.054 403 3HD1 ILE 55 3HD1 ILE 55 -0.574 -5.129 -1.169 404 H LEU 56 H LEU 56 -3.169 0.269 -3.909 405 HA LEU 56 HA LEU 56 -0.968 1.972 -2.957 406 1HB LEU 56 1HB LEU 56 -1.297 0.797 -5.515 407 2HB LEU 56 2HB LEU 56 -1.633 2.506 -5.706 408 HG LEU 56 HG LEU 56 0.660 2.354 -6.170 409 1HD1 LEU 56 1HD1 LEU 56 -0.105 3.862 -4.099 410 2HD1 LEU 56 2HD1 LEU 56 1.071 2.834 -3.280 411 3HD1 LEU 56 3HD1 LEU 56 1.560 3.793 -4.677 412 1HD2 LEU 56 1HD2 LEU 56 0.530 -0.039 -4.815 413 2HD2 LEU 56 2HD2 LEU 56 1.984 0.688 -5.500 414 3HD2 LEU 56 3HD2 LEU 56 1.591 0.937 -3.800 415 H GLN 57 H GLN 57 -4.120 1.719 -2.748 416 HA GLN 57 HA GLN 57 -5.764 3.166 -2.224 417 1HB GLN 57 1HB GLN 57 -3.758 5.348 -2.801 418 2HB GLN 57 2HB GLN 57 -5.290 5.543 -1.962 419 1HG GLN 57 1HG GLN 57 -4.462 3.990 -0.211 420 2HG GLN 57 2HG GLN 57 -2.897 3.980 -1.024 421 2HE2 GLN 57 2HE2 GLN 57 -3.853 4.958 1.653 422 1HE2 GLN 57 1HE2 GLN 57 -3.266 6.580 1.754 423 H ILE 58 H ILE 58 -6.682 2.263 -4.330 424 HA ILE 58 HA ILE 58 -6.537 4.133 -6.544 425 HB ILE 58 HB ILE 58 -8.135 1.581 -6.341 426 1HG1 ILE 58 1HG1 ILE 58 -5.968 0.781 -6.203 427 2HG1 ILE 58 2HG1 ILE 58 -6.180 0.855 -7.948 428 1HG2 ILE 58 1HG2 ILE 58 -8.336 3.629 -8.171 429 2HG2 ILE 58 2HG2 ILE 58 -7.276 2.470 -8.972 430 3HG2 ILE 58 3HG2 ILE 58 -8.870 1.966 -8.411 431 1HD1 ILE 58 1HD1 ILE 58 -5.199 3.340 -7.386 432 2HD1 ILE 58 2HD1 ILE 58 -4.358 2.326 -6.214 433 3HD1 ILE 58 3HD1 ILE 58 -4.247 1.962 -7.935 434 H ASN 59 H ASN 59 -7.556 5.932 -5.720 435 HA ASN 59 HA ASN 59 -10.057 5.991 -4.471 436 1HB ASN 59 1HB ASN 59 -8.523 7.916 -4.504 437 2HB ASN 59 2HB ASN 59 -8.786 8.101 -6.235 438 2HD2 ASN 59 2HD2 ASN 59 -9.369 10.293 -5.472 439 1HD2 ASN 59 1HD2 ASN 59 -11.009 10.577 -5.012 440 H SER 60 H SER 60 -11.627 4.766 -5.425 441 HA SER 60 HA SER 60 -12.102 4.600 -8.189 442 1HB SER 60 1HB SER 60 -13.929 3.270 -7.653 443 2HB SER 60 2HB SER 60 -12.918 3.091 -6.217 444 HG SER 60 HG SER 60 -15.202 4.730 -6.552 445 H ARG 61 H ARG 61 -12.440 7.293 -6.347 446 HA ARG 61 HA ARG 61 -14.887 8.205 -7.661 447 1HB ARG 61 1HB ARG 61 -14.518 8.561 -5.193 448 2HB ARG 61 2HB ARG 61 -13.223 9.674 -5.614 449 1HG ARG 61 1HG ARG 61 -15.772 10.220 -6.949 450 2HG ARG 61 2HG ARG 61 -15.807 10.382 -5.192 451 1HD ARG 61 1HD ARG 61 -13.419 11.580 -6.218 452 2HD ARG 61 2HD ARG 61 -14.814 12.215 -7.089 453 HE ARG 61 HE ARG 61 -14.153 12.633 -4.308 454 1HH1 ARG 61 1HH1 ARG 61 -16.637 12.747 -6.748 455 2HH1 ARG 61 2HH1 ARG 61 -17.618 13.879 -5.878 456 1HH2 ARG 61 1HH2 ARG 61 -15.437 14.123 -3.157 457 2HH2 ARG 61 2HH2 ARG 61 -16.936 14.662 -3.838 458 H TRP 62 H TRP 62 -11.489 9.098 -7.290 459 HA TRP 62 HA TRP 62 -11.779 11.052 -9.454 460 1HB TRP 62 1HB TRP 62 -10.334 11.061 -7.042 461 2HB TRP 62 2HB TRP 62 -9.134 10.987 -8.326 462 HD1 TRP 62 HD1 TRP 62 -9.767 12.933 -10.407 463 HE1 TRP 62 HE1 TRP 62 -10.264 15.426 -10.008 464 HE3 TRP 62 HE3 TRP 62 -11.105 12.715 -5.477 465 HZ2 TRP 62 HZ2 TRP 62 -11.111 17.082 -7.884 466 HZ3 TRP 62 HZ3 TRP 62 -11.744 14.798 -4.335 467 HH2 TRP 62 HH2 TRP 62 -11.746 16.936 -5.515 468 H TRP 63 H TRP 63 -10.894 7.831 -9.208 469 HA TRP 63 HA TRP 63 -9.175 8.128 -11.580 470 1HB TRP 63 1HB TRP 63 -8.822 6.216 -9.273 471 2HB TRP 63 2HB TRP 63 -8.000 6.019 -10.818 472 HD1 TRP 63 HD1 TRP 63 -6.986 7.041 -7.638 473 HE1 TRP 63 HE1 TRP 63 -5.234 8.935 -7.669 474 HE3 TRP 63 HE3 TRP 63 -7.664 8.668 -12.400 475 HZ2 TRP 63 HZ2 TRP 63 -4.280 10.880 -9.506 476 HZ3 TRP 63 HZ3 TRP 63 -6.351 10.537 -13.238 477 HH2 TRP 63 HH2 TRP 63 -4.664 11.629 -11.822 478 H CYS 64 H CYS 64 -10.355 5.193 -10.034 479 HA CYS 64 HA CYS 64 -11.338 4.304 -12.623 480 1HB CYS 64 1HB CYS 64 -11.201 2.149 -11.836 481 2HB CYS 64 2HB CYS 64 -10.023 2.916 -10.780 482 H ASN 65 H ASN 65 -13.404 3.413 -13.006 483 HA ASN 65 HA ASN 65 -15.489 4.825 -11.521 484 1HB ASN 65 1HB ASN 65 -15.338 4.923 -14.043 485 2HB ASN 65 2HB ASN 65 -15.793 3.221 -14.064 486 2HD2 ASN 65 2HD2 ASN 65 -16.872 6.192 -12.440 487 1HD2 ASN 65 1HD2 ASN 65 -18.553 5.954 -12.757 488 H ASP 66 H ASP 66 -16.010 3.703 -9.737 489 HA ASP 66 HA ASP 66 -16.398 0.812 -9.907 490 1HB ASP 66 1HB ASP 66 -16.400 0.788 -7.524 491 2HB ASP 66 2HB ASP 66 -15.098 1.863 -8.020 492 H GLY 67 H GLY 67 -18.201 3.694 -9.997 493 1HA GLY 67 1HA GLY 67 -20.664 2.227 -10.233 494 2HA GLY 67 2HA GLY 67 -20.465 3.965 -10.388 495 H ARG 68 H ARG 68 -19.129 2.671 -7.536 496 HA ARG 68 HA ARG 68 -21.575 3.018 -5.993 497 1HB ARG 68 1HB ARG 68 -19.037 1.622 -5.628 498 2HB ARG 68 2HB ARG 68 -19.536 2.507 -4.192 499 1HG ARG 68 1HG ARG 68 -21.856 1.283 -4.892 500 2HG ARG 68 2HG ARG 68 -20.660 0.093 -5.409 501 1HD ARG 68 1HD ARG 68 -19.615 0.389 -3.104 502 2HD ARG 68 2HD ARG 68 -21.097 1.233 -2.662 503 HE ARG 68 HE ARG 68 -21.207 -1.506 -3.721 504 1HH1 ARG 68 1HH1 ARG 68 -21.807 0.791 -1.172 505 2HH1 ARG 68 2HH1 ARG 68 -22.779 -0.301 -0.242 506 1HH2 ARG 68 1HH2 ARG 68 -22.484 -2.950 -2.505 507 2HH2 ARG 68 2HH2 ARG 68 -23.163 -2.427 -0.999 508 H THR 69 H THR 69 -19.213 4.995 -7.137 509 HA THR 69 HA THR 69 -19.553 6.872 -4.891 510 HB THR 69 HB THR 69 -17.109 7.054 -6.593 511 HG1 THR 69 HG1 THR 69 -17.712 4.981 -4.836 512 1HG2 THR 69 1HG2 THR 69 -17.947 7.814 -3.824 513 2HG2 THR 69 2HG2 THR 69 -16.235 7.631 -4.202 514 3HG2 THR 69 3HG2 THR 69 -17.212 8.806 -5.084 515 HA PRO 70 HA PRO 70 -21.313 9.306 -8.221 516 1HB PRO 70 1HB PRO 70 -21.948 11.474 -6.721 517 2HB PRO 70 2HB PRO 70 -22.902 9.986 -6.705 518 1HG PRO 70 1HG PRO 70 -20.827 10.925 -4.763 519 2HG PRO 70 2HG PRO 70 -22.402 10.176 -4.441 520 1HD PRO 70 1HD PRO 70 -20.081 8.785 -4.346 521 2HD PRO 70 2HD PRO 70 -21.616 8.048 -4.851 522 H GLY 71 H GLY 71 -20.824 11.273 -9.336 523 1HA GLY 71 1HA GLY 71 -18.797 13.069 -8.502 524 2HA GLY 71 2HA GLY 71 -19.448 12.934 -10.129 525 H SER 72 H SER 72 -18.673 9.993 -10.058 526 HA SER 72 HA SER 72 -15.872 9.803 -9.822 527 1HB SER 72 1HB SER 72 -17.618 7.910 -9.936 528 2HB SER 72 2HB SER 72 -17.511 8.096 -11.686 529 HG SER 72 HG SER 72 -16.061 6.505 -10.694 530 H ARG 73 H ARG 73 -14.310 10.556 -11.075 531 HA ARG 73 HA ARG 73 -14.927 11.877 -13.556 532 1HB ARG 73 1HB ARG 73 -13.088 12.383 -11.683 533 2HB ARG 73 2HB ARG 73 -12.107 11.385 -12.747 534 1HG ARG 73 1HG ARG 73 -12.104 12.925 -14.424 535 2HG ARG 73 2HG ARG 73 -13.674 13.589 -13.967 536 1HD ARG 73 1HD ARG 73 -11.362 13.921 -12.115 537 2HD ARG 73 2HD ARG 73 -11.460 14.940 -13.551 538 HE ARG 73 HE ARG 73 -13.684 14.801 -11.627 539 1HH1 ARG 73 1HH1 ARG 73 -11.321 16.618 -13.432 540 2HH1 ARG 73 2HH1 ARG 73 -11.977 18.158 -12.986 541 1HH2 ARG 73 1HH2 ARG 73 -14.553 16.824 -11.035 542 2HH2 ARG 73 2HH2 ARG 73 -13.813 18.275 -11.622 543 H ASN 74 H ASN 74 -13.148 8.988 -12.564 544 HA ASN 74 HA ASN 74 -12.576 7.078 -13.686 545 1HB ASN 74 1HB ASN 74 -14.942 7.535 -14.731 546 2HB ASN 74 2HB ASN 74 -14.022 8.022 -16.151 547 2HD2 ASN 74 2HD2 ASN 74 -14.939 6.285 -17.297 548 1HD2 ASN 74 1HD2 ASN 74 -14.371 4.668 -17.077 549 H LEU 75 H LEU 75 -10.957 9.406 -13.691 550 HA LEU 75 HA LEU 75 -9.821 10.167 -16.098 551 1HB LEU 75 1HB LEU 75 -9.040 9.960 -13.262 552 2HB LEU 75 2HB LEU 75 -7.717 10.096 -14.398 553 HG LEU 75 HG LEU 75 -10.051 12.024 -14.179 554 1HD1 LEU 75 1HD1 LEU 75 -8.484 11.931 -12.190 555 2HD1 LEU 75 2HD1 LEU 75 -7.234 12.546 -13.271 556 3HD1 LEU 75 3HD1 LEU 75 -8.684 13.502 -12.964 557 1HD2 LEU 75 1HD2 LEU 75 -7.540 12.018 -15.830 558 2HD2 LEU 75 2HD2 LEU 75 -9.212 12.195 -16.362 559 3HD2 LEU 75 3HD2 LEU 75 -8.424 13.503 -15.478 560 H CYS 76 H CYS 76 -8.487 7.993 -13.799 561 HA CYS 76 HA CYS 76 -6.541 6.753 -15.290 562 1HB CYS 76 1HB CYS 76 -7.716 6.572 -12.770 563 2HB CYS 76 2HB CYS 76 -7.816 4.954 -13.450 564 H ASN 77 H ASN 77 -9.931 5.954 -14.840 565 HA ASN 77 HA ASN 77 -11.395 4.612 -15.949 566 1HB ASN 77 1HB ASN 77 -9.991 6.001 -17.885 567 2HB ASN 77 2HB ASN 77 -9.854 4.328 -18.418 568 2HD2 ASN 77 2HD2 ASN 77 -11.670 7.042 -18.645 569 1HD2 ASN 77 1HD2 ASN 77 -13.181 6.346 -19.111 570 H ILE 78 H ILE 78 -9.853 3.226 -14.282 571 HA ILE 78 HA ILE 78 -9.055 0.864 -15.804 572 HB ILE 78 HB ILE 78 -7.152 0.837 -14.684 573 1HG1 ILE 78 1HG1 ILE 78 -8.880 -0.166 -12.809 574 2HG1 ILE 78 2HG1 ILE 78 -7.131 -0.147 -12.658 575 1HG2 ILE 78 1HG2 ILE 78 -8.271 3.240 -13.268 576 2HG2 ILE 78 2HG2 ILE 78 -6.600 2.697 -13.114 577 3HG2 ILE 78 3HG2 ILE 78 -7.220 3.209 -14.684 578 1HD1 ILE 78 1HD1 ILE 78 -8.763 2.157 -11.687 579 2HD1 ILE 78 2HD1 ILE 78 -8.569 0.705 -10.706 580 3HD1 ILE 78 3HD1 ILE 78 -7.152 1.638 -11.188 581 HA PRO 79 HA PRO 79 -12.684 -0.999 -13.944 582 1HB PRO 79 1HB PRO 79 -11.304 -3.536 -14.638 583 2HB PRO 79 2HB PRO 79 -12.919 -2.979 -15.088 584 1HG PRO 79 1HG PRO 79 -10.923 -3.035 -16.871 585 2HG PRO 79 2HG PRO 79 -12.139 -1.743 -16.882 586 1HD PRO 79 1HD PRO 79 -9.321 -1.689 -15.883 587 2HD PRO 79 2HD PRO 79 -10.242 -0.431 -16.732 588 H CYS 80 H CYS 80 -12.555 -0.777 -11.755 589 HA CYS 80 HA CYS 80 -10.346 -1.689 -10.242 590 1HB CYS 80 1HB CYS 80 -12.947 -0.398 -9.656 591 2HB CYS 80 2HB CYS 80 -12.182 -1.273 -8.332 592 H SER 81 H SER 81 -13.754 -2.849 -10.142 593 HA SER 81 HA SER 81 -13.466 -4.952 -8.463 594 1HB SER 81 1HB SER 81 -15.386 -5.989 -9.607 595 2HB SER 81 2HB SER 81 -15.614 -4.256 -9.379 596 HG SER 81 HG SER 81 -15.985 -4.267 -11.446 597 H ALA 82 H ALA 82 -12.897 -5.126 -11.988 598 HA ALA 82 HA ALA 82 -12.218 -7.894 -11.950 599 1HB ALA 82 1HB ALA 82 -12.878 -7.260 -14.043 600 2HB ALA 82 2HB ALA 82 -12.061 -5.699 -13.950 601 3HB ALA 82 3HB ALA 82 -11.126 -7.167 -14.237 602 H LEU 83 H LEU 83 -10.598 -5.203 -10.917 603 HA LEU 83 HA LEU 83 -7.976 -6.528 -11.178 604 1HB LEU 83 1HB LEU 83 -8.625 -3.598 -10.964 605 2HB LEU 83 2HB LEU 83 -6.998 -4.243 -10.849 606 HG LEU 83 HG LEU 83 -8.805 -4.526 -13.250 607 1HD1 LEU 83 1HD1 LEU 83 -7.685 -2.226 -12.521 608 2HD1 LEU 83 2HD1 LEU 83 -6.299 -2.954 -13.334 609 3HD1 LEU 83 3HD1 LEU 83 -7.814 -2.725 -14.207 610 1HD2 LEU 83 1HD2 LEU 83 -6.935 -6.273 -12.653 611 2HD2 LEU 83 2HD2 LEU 83 -7.144 -5.697 -14.306 612 3HD2 LEU 83 3HD2 LEU 83 -5.871 -5.021 -13.292 613 H LEU 84 H LEU 84 -10.337 -5.922 -8.937 614 HA LEU 84 HA LEU 84 -8.541 -5.411 -6.706 615 1HB LEU 84 1HB LEU 84 -11.522 -5.864 -6.823 616 2HB LEU 84 2HB LEU 84 -10.634 -5.544 -5.345 617 HG LEU 84 HG LEU 84 -10.545 -3.630 -7.652 618 1HD1 LEU 84 1HD1 LEU 84 -12.730 -4.092 -5.702 619 2HD1 LEU 84 2HD1 LEU 84 -12.294 -2.422 -6.066 620 3HD1 LEU 84 3HD1 LEU 84 -12.795 -3.505 -7.364 621 1HD2 LEU 84 1HD2 LEU 84 -9.517 -3.740 -4.939 622 2HD2 LEU 84 2HD2 LEU 84 -9.068 -2.684 -6.278 623 3HD2 LEU 84 3HD2 LEU 84 -10.442 -2.271 -5.252 624 H SER 85 H SER 85 -9.674 -8.041 -8.413 625 HA SER 85 HA SER 85 -9.945 -9.961 -6.343 626 1HB SER 85 1HB SER 85 -9.356 -11.489 -8.515 627 2HB SER 85 2HB SER 85 -10.957 -10.837 -8.169 628 HG SER 85 HG SER 85 -10.772 -9.777 -9.961 629 H SER 86 H SER 86 -7.740 -8.848 -5.526 630 HA SER 86 HA SER 86 -5.676 -9.308 -4.692 631 1HB SER 86 1HB SER 86 -6.761 -11.826 -5.154 632 2HB SER 86 2HB SER 86 -5.213 -11.881 -5.996 633 HG SER 86 HG SER 86 -5.184 -10.758 -3.463 634 H ASP 87 H ASP 87 -6.045 -7.898 -7.028 635 HA ASP 87 HA ASP 87 -3.601 -8.537 -8.528 636 1HB ASP 87 1HB ASP 87 -5.768 -9.008 -9.705 637 2HB ASP 87 2HB ASP 87 -6.118 -7.287 -9.614 638 H ILE 88 H ILE 88 -2.098 -6.986 -8.255 639 HA ILE 88 HA ILE 88 -2.845 -4.397 -7.233 640 HB ILE 88 HB ILE 88 -0.321 -3.950 -7.638 641 1HG1 ILE 88 1HG1 ILE 88 -0.048 -6.917 -7.480 642 2HG1 ILE 88 2HG1 ILE 88 -0.332 -6.190 -9.058 643 1HG2 ILE 88 1HG2 ILE 88 -1.756 -5.374 -5.567 644 2HG2 ILE 88 2HG2 ILE 88 -0.045 -5.796 -5.603 645 3HG2 ILE 88 3HG2 ILE 88 -0.534 -4.111 -5.434 646 1HD1 ILE 88 1HD1 ILE 88 1.698 -4.691 -7.798 647 2HD1 ILE 88 2HD1 ILE 88 2.092 -6.398 -7.596 648 3HD1 ILE 88 3HD1 ILE 88 1.822 -5.741 -9.211 649 H THR 89 H THR 89 -2.816 -5.750 -10.261 650 HA THR 89 HA THR 89 -1.619 -4.031 -11.995 651 HB THR 89 HB THR 89 -4.372 -5.252 -12.294 652 HG1 THR 89 HG1 THR 89 -3.284 -6.927 -13.243 653 1HG2 THR 89 1HG2 THR 89 -2.708 -3.621 -14.128 654 2HG2 THR 89 2HG2 THR 89 -3.507 -5.036 -14.813 655 3HG2 THR 89 3HG2 THR 89 -4.462 -3.777 -14.029 656 H ALA 90 H ALA 90 -4.923 -3.587 -10.686 657 HA ALA 90 HA ALA 90 -5.408 -1.142 -11.857 658 1HB ALA 90 1HB ALA 90 -6.549 -2.671 -9.645 659 2HB ALA 90 2HB ALA 90 -6.762 -0.926 -9.500 660 3HB ALA 90 3HB ALA 90 -7.350 -1.771 -10.932 661 H SER 91 H SER 91 -3.859 -1.925 -8.788 662 HA SER 91 HA SER 91 -3.565 0.691 -7.823 663 1HB SER 91 1HB SER 91 -1.536 -1.416 -7.204 664 2HB SER 91 2HB SER 91 -2.274 -0.226 -6.132 665 HG SER 91 HG SER 91 -4.247 -1.436 -6.361 666 H VAL 92 H VAL 92 -1.455 -1.285 -9.837 667 HA VAL 92 HA VAL 92 0.530 0.806 -9.889 668 HB VAL 92 HB VAL 92 0.414 -1.820 -11.371 669 1HG1 VAL 92 1HG1 VAL 92 2.221 0.536 -11.654 670 2HG1 VAL 92 2HG1 VAL 92 2.931 -1.074 -11.771 671 3HG1 VAL 92 3HG1 VAL 92 1.643 -0.596 -12.876 672 1HG2 VAL 92 1HG2 VAL 92 0.878 -1.912 -8.937 673 2HG2 VAL 92 2HG2 VAL 92 2.236 -2.465 -9.916 674 3HG2 VAL 92 3HG2 VAL 92 2.270 -0.859 -9.190 675 H ASN 93 H ASN 93 -1.566 -0.704 -12.357 676 HA ASN 93 HA ASN 93 -0.874 0.763 -14.484 677 1HB ASN 93 1HB ASN 93 -2.497 -0.495 -15.315 678 2HB ASN 93 2HB ASN 93 -3.078 -0.807 -13.703 679 2HD2 ASN 93 2HD2 ASN 93 -3.483 1.058 -16.568 680 1HD2 ASN 93 1HD2 ASN 93 -4.986 1.794 -16.134 681 H CYS 94 H CYS 94 -3.197 1.615 -12.004 682 HA CYS 94 HA CYS 94 -3.868 4.137 -13.053 683 1HB CYS 94 1HB CYS 94 -4.944 2.688 -11.105 684 2HB CYS 94 2HB CYS 94 -3.911 3.705 -10.103 685 H ALA 95 H ALA 95 -1.532 3.164 -10.528 686 HA ALA 95 HA ALA 95 -0.605 5.819 -10.138 687 1HB ALA 95 1HB ALA 95 0.096 4.727 -8.349 688 2HB ALA 95 2HB ALA 95 1.510 4.355 -9.337 689 3HB ALA 95 3HB ALA 95 0.196 3.184 -9.200 690 H LYS 96 H LYS 96 0.146 3.374 -12.456 691 HA LYS 96 HA LYS 96 2.663 4.158 -13.317 692 1HB LYS 96 1HB LYS 96 0.850 2.293 -14.149 693 2HB LYS 96 2HB LYS 96 0.732 3.468 -15.451 694 1HG LYS 96 1HG LYS 96 3.339 3.312 -15.435 695 2HG LYS 96 2HG LYS 96 3.038 1.770 -14.632 696 1HD LYS 96 1HD LYS 96 1.329 2.148 -16.945 697 2HD LYS 96 2HD LYS 96 3.041 2.238 -17.364 698 1HE LYS 96 1HE LYS 96 3.463 0.074 -16.625 699 2HE LYS 96 2HE LYS 96 2.014 0.030 -15.622 700 1HZ LYS 96 1HZ LYS 96 0.991 0.366 -18.087 701 2HZ LYS 96 2HZ LYS 96 2.338 -0.604 -18.417 702 3HZ LYS 96 3HZ LYS 96 1.166 -1.129 -17.316 703 H LYS 97 H LYS 97 -0.556 5.241 -14.015 704 HA LYS 97 HA LYS 97 0.245 7.383 -15.782 705 1HB LYS 97 1HB LYS 97 -2.220 6.093 -15.053 706 2HB LYS 97 2HB LYS 97 -2.392 7.833 -14.870 707 1HG LYS 97 1HG LYS 97 -1.073 7.100 -17.351 708 2HG LYS 97 2HG LYS 97 -2.686 6.400 -17.199 709 1HD LYS 97 1HD LYS 97 -3.451 8.744 -16.532 710 2HD LYS 97 2HD LYS 97 -1.888 9.297 -17.136 711 1HE LYS 97 1HE LYS 97 -2.467 8.073 -19.290 712 2HE LYS 97 2HE LYS 97 -4.108 7.956 -18.655 713 1HZ LYS 97 1HZ LYS 97 -3.617 10.552 -18.316 714 2HZ LYS 97 2HZ LYS 97 -2.683 10.258 -19.696 715 3HZ LYS 97 3HZ LYS 97 -4.339 9.913 -19.706 716 H ILE 98 H ILE 98 -0.483 6.952 -12.394 717 HA ILE 98 HA ILE 98 -0.830 9.655 -11.714 718 HB ILE 98 HB ILE 98 0.122 7.370 -10.019 719 1HG1 ILE 98 1HG1 ILE 98 -2.569 8.765 -10.081 720 2HG1 ILE 98 2HG1 ILE 98 -2.224 7.285 -10.971 721 1HG2 ILE 98 1HG2 ILE 98 0.910 9.480 -9.092 722 2HG2 ILE 98 2HG2 ILE 98 -0.725 10.137 -9.174 723 3HG2 ILE 98 3HG2 ILE 98 -0.367 8.793 -8.089 724 1HD1 ILE 98 1HD1 ILE 98 -1.740 7.377 -8.031 725 2HD1 ILE 98 2HD1 ILE 98 -3.380 7.184 -8.649 726 3HD1 ILE 98 3HD1 ILE 98 -2.137 6.005 -9.066 727 H VAL 99 H VAL 99 1.979 7.560 -11.555 728 HA VAL 99 HA VAL 99 3.784 9.621 -10.788 729 HB VAL 99 HB VAL 99 3.984 7.056 -10.444 730 1HG1 VAL 99 1HG1 VAL 99 3.946 6.478 -12.831 731 2HG1 VAL 99 2HG1 VAL 99 5.448 7.373 -13.061 732 3HG1 VAL 99 3HG1 VAL 99 5.426 5.932 -12.043 733 1HG2 VAL 99 1HG2 VAL 99 6.226 8.961 -11.020 734 2HG2 VAL 99 2HG2 VAL 99 5.569 8.468 -9.460 735 3HG2 VAL 99 3HG2 VAL 99 6.517 7.330 -10.416 736 H SER 100 H SER 100 2.534 8.537 -13.810 737 HA SER 100 HA SER 100 4.715 9.711 -15.344 738 1HB SER 100 1HB SER 100 3.657 7.644 -16.173 739 2HB SER 100 2HB SER 100 2.107 8.479 -16.274 740 HG SER 100 HG SER 100 2.766 9.536 -18.010 741 H ASP 101 H ASP 101 1.920 10.706 -13.828 742 HA ASP 101 HA ASP 101 1.339 12.878 -15.693 743 1HB ASP 101 1HB ASP 101 -0.103 11.540 -13.513 744 2HB ASP 101 2HB ASP 101 -0.302 13.290 -13.530 745 H GLY 102 H GLY 102 3.372 12.303 -13.117 746 1HA GLY 102 1HA GLY 102 3.621 15.200 -12.611 747 2HA GLY 102 2HA GLY 102 4.953 14.056 -12.541 748 H ASN 103 H ASN 103 3.722 12.034 -11.029 749 HA ASN 103 HA ASN 103 3.748 13.320 -8.408 750 1HB ASN 103 1HB ASN 103 1.482 11.698 -9.524 751 2HB ASN 103 2HB ASN 103 1.807 11.684 -7.793 752 2HD2 ASN 103 2HD2 ASN 103 0.305 13.295 -10.330 753 1HD2 ASN 103 1HD2 ASN 103 -0.143 14.734 -9.487 754 H GLY 104 H GLY 104 5.616 12.390 -7.744 755 1HA GLY 104 1HA GLY 104 7.162 10.742 -7.258 756 2HA GLY 104 2HA GLY 104 6.246 9.640 -8.274 757 H MET 105 H MET 105 7.465 9.420 -5.524 758 HA MET 105 HA MET 105 5.312 7.937 -4.330 759 1HB MET 105 1HB MET 105 7.853 8.464 -2.866 760 2HB MET 105 2HB MET 105 6.917 6.981 -2.983 761 1HG MET 105 1HG MET 105 8.649 8.136 -5.155 762 2HG MET 105 2HG MET 105 9.080 6.797 -4.096 763 1HE MET 105 1HE MET 105 6.996 4.902 -3.769 764 2HE MET 105 2HE MET 105 5.632 5.904 -4.264 765 3HE MET 105 3HE MET 105 5.983 4.405 -5.124 766 H ASN 106 H ASN 106 6.088 11.102 -4.420 767 HA ASN 106 HA ASN 106 5.797 11.865 -1.701 768 1HB ASN 106 1HB ASN 106 5.162 13.748 -3.922 769 2HB ASN 106 2HB ASN 106 6.114 14.000 -2.468 770 2HD2 ASN 106 2HD2 ASN 106 6.348 13.918 -5.669 771 1HD2 ASN 106 1HD2 ASN 106 7.980 13.384 -5.856 772 H ALA 107 H ALA 107 3.605 11.489 -4.437 773 HA ALA 107 HA ALA 107 1.367 12.820 -3.507 774 1HB ALA 107 1HB ALA 107 1.814 11.513 -5.728 775 2HB ALA 107 2HB ALA 107 0.168 11.700 -5.122 776 3HB ALA 107 3HB ALA 107 1.034 10.185 -4.869 777 H TRP 108 H TRP 108 2.335 9.461 -2.893 778 HA TRP 108 HA TRP 108 0.141 9.027 -1.079 779 1HB TRP 108 1HB TRP 108 2.565 7.309 -1.667 780 2HB TRP 108 2HB TRP 108 1.142 6.802 -0.759 781 HD1 TRP 108 HD1 TRP 108 -1.163 6.500 -2.174 782 HE1 TRP 108 HE1 TRP 108 -1.555 5.970 -4.663 783 HE3 TRP 108 HE3 TRP 108 3.472 7.657 -3.989 784 HZ2 TRP 108 HZ2 TRP 108 -0.091 6.036 -7.089 785 HZ3 TRP 108 HZ3 TRP 108 3.894 7.402 -6.397 786 HH2 TRP 108 HH2 TRP 108 2.152 6.605 -7.911 787 H VAL 109 H VAL 109 0.112 9.419 1.015 788 HA VAL 109 HA VAL 109 2.242 10.768 2.308 789 HB VAL 109 HB VAL 109 0.196 9.681 4.016 790 1HG1 VAL 109 1HG1 VAL 109 1.886 11.525 4.492 791 2HG1 VAL 109 2HG1 VAL 109 0.841 12.557 3.515 792 3HG1 VAL 109 3HG1 VAL 109 0.217 11.810 4.985 793 1HG2 VAL 109 1HG2 VAL 109 -0.514 11.114 1.528 794 2HG2 VAL 109 2HG2 VAL 109 -1.423 9.899 2.428 795 3HG2 VAL 109 3HG2 VAL 109 -1.372 11.567 3.000 796 H ALA 110 H ALA 110 1.350 7.415 2.221 797 HA ALA 110 HA ALA 110 2.549 6.665 4.676 798 1HB ALA 110 1HB ALA 110 2.638 4.591 2.650 799 2HB ALA 110 2HB ALA 110 1.754 4.642 4.174 800 3HB ALA 110 3HB ALA 110 1.062 5.378 2.729 801 H TRP 111 H TRP 111 3.822 7.478 1.610 802 HA TRP 111 HA TRP 111 6.361 6.167 2.131 803 1HB TRP 111 1HB TRP 111 5.635 6.180 -0.175 804 2HB TRP 111 2HB TRP 111 5.489 7.930 -0.163 805 HD1 TRP 111 HD1 TRP 111 8.033 5.144 -0.522 806 HE1 TRP 111 HE1 TRP 111 10.302 6.150 -1.201 807 HE3 TRP 111 HE3 TRP 111 6.948 10.103 0.101 808 HZ2 TRP 111 HZ2 TRP 111 11.479 8.703 -1.442 809 HZ3 TRP 111 HZ3 TRP 111 8.702 11.763 -0.376 810 HH2 TRP 111 HH2 TRP 111 10.920 11.075 -1.131 811 H ARG 112 H ARG 112 4.945 9.417 2.270 812 HA ARG 112 HA ARG 112 7.527 10.554 2.979 813 1HB ARG 112 1HB ARG 112 4.993 11.527 1.965 814 2HB ARG 112 2HB ARG 112 5.554 12.472 3.336 815 1HG ARG 112 1HG ARG 112 7.686 12.856 2.193 816 2HG ARG 112 2HG ARG 112 7.102 11.925 0.811 817 1HD ARG 112 1HD ARG 112 6.917 14.405 0.552 818 2HD ARG 112 2HD ARG 112 5.400 13.530 0.353 819 HE ARG 112 HE ARG 112 4.580 14.598 2.205 820 1HH1 ARG 112 1HH1 ARG 112 8.040 14.990 2.104 821 2HH1 ARG 112 2HH1 ARG 112 8.078 16.128 3.409 822 1HH2 ARG 112 1HH2 ARG 112 4.621 16.095 3.923 823 2HH2 ARG 112 2HH2 ARG 112 6.135 16.755 4.444 824 H ASN 113 H ASN 113 6.727 8.648 4.754 825 HA ASN 113 HA ASN 113 6.458 10.210 7.172 826 1HB ASN 113 1HB ASN 113 4.247 8.666 6.091 827 2HB ASN 113 2HB ASN 113 4.709 8.098 7.692 828 2HD2 ASN 113 2HD2 ASN 113 2.735 10.143 6.105 829 1HD2 ASN 113 1HD2 ASN 113 2.465 11.322 7.339 830 H ARG 114 H ARG 114 6.227 6.822 6.120 831 HA ARG 114 HA ARG 114 8.214 6.118 8.162 832 1HB ARG 114 1HB ARG 114 5.933 4.705 6.901 833 2HB ARG 114 2HB ARG 114 7.326 3.733 7.345 834 1HG ARG 114 1HG ARG 114 6.375 3.592 9.354 835 2HG ARG 114 2HG ARG 114 6.924 5.252 9.590 836 1HD ARG 114 1HD ARG 114 4.831 6.143 9.024 837 2HD ARG 114 2HD ARG 114 4.295 4.637 8.280 838 HE ARG 114 HE ARG 114 4.505 3.790 10.728 839 1HH1 ARG 114 1HH1 ARG 114 3.383 6.921 9.691 840 2HH1 ARG 114 2HH1 ARG 114 2.340 7.142 11.056 841 1HH2 ARG 114 1HH2 ARG 114 3.133 4.072 12.528 842 2HH2 ARG 114 2HH2 ARG 114 2.198 5.523 12.668 843 H CYS 115 H CYS 115 8.415 7.027 5.108 844 HA CYS 115 HA CYS 115 10.392 4.952 4.420 845 1HB CYS 115 1HB CYS 115 8.768 6.647 2.523 846 2HB CYS 115 2HB CYS 115 9.978 5.459 2.055 847 H LYS 116 H LYS 116 9.661 8.425 3.965 848 HA LYS 116 HA LYS 116 12.256 9.073 3.043 849 1HB LYS 116 1HB LYS 116 10.107 10.429 2.780 850 2HB LYS 116 2HB LYS 116 10.373 10.975 4.430 851 1HG LYS 116 1HG LYS 116 12.131 12.295 3.861 852 2HG LYS 116 2HG LYS 116 12.623 11.253 2.523 853 1HD LYS 116 1HD LYS 116 10.731 12.052 1.200 854 2HD LYS 116 2HD LYS 116 10.218 13.076 2.542 855 1HE LYS 116 1HE LYS 116 12.926 13.672 2.079 856 2HE LYS 116 2HE LYS 116 12.158 13.599 0.493 857 1HZ LYS 116 1HZ LYS 116 10.764 15.071 2.597 858 2HZ LYS 116 2HZ LYS 116 12.155 15.781 1.948 859 3HZ LYS 116 3HZ LYS 116 10.857 15.384 0.938 860 H GLY 117 H GLY 117 13.680 8.057 4.529 861 1HA GLY 117 1HA GLY 117 13.665 8.989 7.288 862 2HA GLY 117 2HA GLY 117 15.026 9.506 6.307 863 H THR 118 H THR 118 13.938 6.469 5.313 864 HA THR 118 HA THR 118 16.021 5.161 6.933 865 HB THR 118 HB THR 118 14.715 3.083 6.832 866 HG1 THR 118 HG1 THR 118 13.513 3.453 4.946 867 1HG2 THR 118 1HG2 THR 118 13.895 5.495 8.224 868 2HG2 THR 118 2HG2 THR 118 12.552 4.377 7.996 869 3HG2 THR 118 3HG2 THR 118 14.016 3.838 8.817 870 H ASP 119 H ASP 119 15.460 2.656 5.371 871 HA ASP 119 HA ASP 119 16.627 3.430 2.799 872 1HB ASP 119 1HB ASP 119 18.191 2.451 4.639 873 2HB ASP 119 2HB ASP 119 17.516 0.947 4.053 874 H VAL 120 H VAL 120 15.156 2.919 1.317 875 HA VAL 120 HA VAL 120 13.287 0.786 1.646 876 HB VAL 120 HB VAL 120 12.626 1.336 -0.704 877 1HG1 VAL 120 1HG1 VAL 120 12.386 2.936 1.649 878 2HG1 VAL 120 2HG1 VAL 120 12.432 3.988 0.234 879 3HG1 VAL 120 3HG1 VAL 120 11.227 2.704 0.341 880 1HG2 VAL 120 1HG2 VAL 120 15.168 2.667 -0.657 881 2HG2 VAL 120 2HG2 VAL 120 14.088 2.369 -2.020 882 3HG2 VAL 120 3HG2 VAL 120 13.890 3.821 -1.038 883 H GLN 121 H GLN 121 16.347 1.238 0.018 884 HA GLN 121 HA GLN 121 16.280 -0.968 -1.712 885 1HB GLN 121 1HB GLN 121 18.520 0.517 -0.356 886 2HB GLN 121 2HB GLN 121 18.845 -0.892 -1.358 887 1HG GLN 121 1HG GLN 121 18.094 0.165 -3.296 888 2HG GLN 121 2HG GLN 121 17.250 1.421 -2.392 889 2HE2 GLN 121 2HE2 GLN 121 18.893 2.565 -0.803 890 1HE2 GLN 121 1HE2 GLN 121 20.322 3.147 -1.580 891 H ALA 122 H ALA 122 16.605 -0.685 1.687 892 HA ALA 122 HA ALA 122 17.595 -3.400 2.037 893 1HB ALA 122 1HB ALA 122 17.940 -1.112 3.500 894 2HB ALA 122 2HB ALA 122 16.712 -1.969 4.430 895 3HB ALA 122 3HB ALA 122 18.254 -2.748 4.078 896 H TRP 123 H TRP 123 14.625 -1.661 1.918 897 HA TRP 123 HA TRP 123 13.015 -3.297 3.557 898 1HB TRP 123 1HB TRP 123 12.516 -1.375 1.343 899 2HB TRP 123 2HB TRP 123 11.218 -2.491 1.747 900 HD1 TRP 123 HD1 TRP 123 11.627 0.839 2.311 901 HE1 TRP 123 HE1 TRP 123 10.933 1.651 4.653 902 HE3 TRP 123 HE3 TRP 123 11.683 -3.609 4.803 903 HZ2 TRP 123 HZ2 TRP 123 10.480 0.517 7.188 904 HZ3 TRP 123 HZ3 TRP 123 11.108 -3.668 7.174 905 HH2 TRP 123 HH2 TRP 123 10.512 -1.623 8.355 906 H ILE 124 H ILE 124 14.520 -3.933 0.577 907 HA ILE 124 HA ILE 124 12.920 -6.388 0.281 908 HB ILE 124 HB ILE 124 13.320 -6.237 -2.187 909 1HG1 ILE 124 1HG1 ILE 124 13.592 -3.398 -2.362 910 2HG1 ILE 124 2HG1 ILE 124 14.915 -4.022 -1.382 911 1HG2 ILE 124 1HG2 ILE 124 11.609 -4.298 -0.694 912 2HG2 ILE 124 2HG2 ILE 124 11.632 -4.279 -2.457 913 3HG2 ILE 124 3HG2 ILE 124 11.146 -5.739 -1.597 914 1HD1 ILE 124 1HD1 ILE 124 14.806 -5.764 -3.517 915 2HD1 ILE 124 2HD1 ILE 124 14.480 -4.186 -4.236 916 3HD1 ILE 124 3HD1 ILE 124 15.951 -4.441 -3.295 917 H ARG 125 H ARG 125 15.671 -5.500 1.401 918 HA ARG 125 HA ARG 125 17.659 -6.736 -0.182 919 1HB ARG 125 1HB ARG 125 17.983 -5.074 1.726 920 2HB ARG 125 2HB ARG 125 17.763 -6.436 2.816 921 1HG ARG 125 1HG ARG 125 19.909 -6.921 2.620 922 2HG ARG 125 2HG ARG 125 19.681 -7.208 0.894 923 1HD ARG 125 1HD ARG 125 20.662 -5.275 0.333 924 2HD ARG 125 2HD ARG 125 19.809 -4.378 1.587 925 HE ARG 125 HE ARG 125 21.577 -5.547 3.095 926 1HH1 ARG 125 1HH1 ARG 125 22.067 -4.282 -0.114 927 2HH1 ARG 125 2HH1 ARG 125 23.742 -3.921 0.145 928 1HH2 ARG 125 1HH2 ARG 125 23.780 -5.075 3.445 929 2HH2 ARG 125 2HH2 ARG 125 24.716 -4.373 2.167 930 H GLY 126 H GLY 126 17.506 -8.814 -0.761 931 1HA GLY 126 1HA GLY 126 17.141 -10.793 1.394 932 2HA GLY 126 2HA GLY 126 18.040 -11.074 -0.089 933 H CYS 127 H CYS 127 15.384 -9.391 -0.999 934 HA CYS 127 HA CYS 127 13.331 -11.294 -0.896 935 1HB CYS 127 1HB CYS 127 13.814 -8.794 -2.305 936 2HB CYS 127 2HB CYS 127 12.592 -9.837 -3.001 937 H ARG 128 H ARG 128 12.280 -11.769 -3.270 938 HA ARG 128 HA ARG 128 14.361 -12.995 -4.935 939 1HB ARG 128 1HB ARG 128 13.246 -14.619 -3.264 940 2HB ARG 128 2HB ARG 128 11.826 -14.480 -4.291 941 1HG ARG 128 1HG ARG 128 12.655 -15.943 -5.730 942 2HG ARG 128 2HG ARG 128 14.148 -15.017 -5.890 943 1HD ARG 128 1HD ARG 128 15.271 -16.338 -4.450 944 2HD ARG 128 2HD ARG 128 13.880 -16.533 -3.385 945 HE ARG 128 HE ARG 128 13.104 -18.069 -5.355 946 1HH1 ARG 128 1HH1 ARG 128 16.309 -17.751 -4.025 947 2HH1 ARG 128 2HH1 ARG 128 16.770 -19.376 -4.408 948 1HH2 ARG 128 1HH2 ARG 128 13.702 -20.211 -5.864 949 2HH2 ARG 128 2HH2 ARG 128 15.287 -20.774 -5.454 950 H LEU 129 H LEU 129 13.999 -11.356 -6.459 951 HA LEU 129 HA LEU 129 11.515 -11.697 -7.992 952 1HB LEU 129 1HB LEU 129 11.761 -9.185 -8.512 953 2HB LEU 129 2HB LEU 129 11.058 -9.664 -6.979 954 HG LEU 129 HG LEU 129 13.718 -9.442 -6.341 955 1HD1 LEU 129 1HD1 LEU 129 13.188 -7.825 -8.714 956 2HD1 LEU 129 2HD1 LEU 129 13.851 -6.911 -7.360 957 3HD1 LEU 129 3HD1 LEU 129 14.720 -8.311 -7.988 958 1HD2 LEU 129 1HD2 LEU 129 11.566 -8.566 -5.244 959 2HD2 LEU 129 2HD2 LEU 129 13.054 -7.647 -5.014 960 3HD2 LEU 129 3HD2 LEU 129 11.853 -7.101 -6.185 No H/Q in entry = 960 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -7.024 -9.769 2.477 2 H2 LYS 1 H2 LYS 1 -7.703 -10.021 0.949 3 H3 LYS 1 H3 LYS 1 -7.834 -11.216 2.140 4 HA LYS 1 HA LYS 1 -5.585 -11.770 2.035 5 1HB LYS 1 1HB LYS 1 -7.135 -11.507 -0.446 6 2HB LYS 1 2HB LYS 1 -5.405 -11.685 -0.705 7 1HG LYS 1 1HG LYS 1 -5.347 -13.797 0.226 8 2HG LYS 1 2HG LYS 1 -6.838 -13.548 1.136 9 1HD LYS 1 1HD LYS 1 -7.718 -14.825 -0.511 10 2HD LYS 1 2HD LYS 1 -7.780 -13.283 -1.368 11 1HE LYS 1 1HE LYS 1 -5.916 -13.780 -2.658 12 2HE LYS 1 2HE LYS 1 -5.333 -14.997 -1.524 13 1HZ LYS 1 1HZ LYS 1 -7.903 -15.474 -2.836 14 2HZ LYS 1 2HZ LYS 1 -6.503 -15.655 -3.766 15 3HZ LYS 1 3HZ LYS 1 -6.711 -16.577 -2.363 16 H VAL 2 H VAL 2 -3.807 -10.689 2.583 17 HA VAL 2 HA VAL 2 -3.104 -8.229 1.146 18 HB VAL 2 HB VAL 2 -2.182 -9.350 3.794 19 1HG1 VAL 2 1HG1 VAL 2 -0.532 -7.952 2.150 20 2HG1 VAL 2 2HG1 VAL 2 -1.300 -6.649 3.055 21 3HG1 VAL 2 3HG1 VAL 2 -0.440 -7.927 3.911 22 1HG2 VAL 2 1HG2 VAL 2 -4.360 -7.785 3.142 23 2HG2 VAL 2 2HG2 VAL 2 -3.648 -7.967 4.746 24 3HG2 VAL 2 3HG2 VAL 2 -3.165 -6.621 3.713 25 H PHE 3 H PHE 3 -1.066 -7.953 0.179 26 HA PHE 3 HA PHE 3 0.196 -10.342 -0.781 27 1HB PHE 3 1HB PHE 3 0.837 -7.404 -1.113 28 2HB PHE 3 2HB PHE 3 1.792 -8.685 -1.842 29 HD1 PHE 3 HD1 PHE 3 -0.175 -10.530 -2.869 30 HD2 PHE 3 HD2 PHE 3 -0.239 -6.279 -2.766 31 HE1 PHE 3 HE1 PHE 3 -1.644 -10.507 -4.840 32 HE2 PHE 3 HE2 PHE 3 -1.710 -6.246 -4.729 33 HZ PHE 3 HZ PHE 3 -2.416 -8.362 -5.775 34 H GLY 4 H GLY 4 2.611 -10.529 -0.666 35 1HA GLY 4 1HA GLY 4 4.267 -11.173 0.870 36 2HA GLY 4 2HA GLY 4 3.452 -10.225 2.109 37 H ARG 5 H ARG 5 6.278 -10.199 1.481 38 HA ARG 5 HA ARG 5 6.537 -7.336 1.006 39 1HB ARG 5 1HB ARG 5 8.991 -7.858 1.639 40 2HB ARG 5 2HB ARG 5 7.767 -7.934 2.899 41 1HG ARG 5 1HG ARG 5 8.211 -10.468 1.504 42 2HG ARG 5 2HG ARG 5 9.613 -9.863 2.386 43 1HD ARG 5 1HD ARG 5 6.859 -10.116 3.581 44 2HD ARG 5 2HD ARG 5 8.096 -11.366 3.701 45 HE ARG 5 HE ARG 5 8.162 -8.730 4.979 46 1HH1 ARG 5 1HH1 ARG 5 9.557 -11.887 4.503 47 2HH1 ARG 5 2HH1 ARG 5 10.616 -11.766 5.868 48 1HH2 ARG 5 1HH2 ARG 5 9.552 -8.561 6.777 49 2HH2 ARG 5 2HH2 ARG 5 10.613 -9.876 7.161 50 H CYS 6 H CYS 6 8.167 -10.297 -0.148 51 HA CYS 6 HA CYS 6 9.191 -8.811 -2.406 52 1HB CYS 6 1HB CYS 6 9.428 -11.783 -2.116 53 2HB CYS 6 2HB CYS 6 10.510 -10.640 -2.905 54 H GLU 7 H GLU 7 6.718 -11.249 -1.774 55 HA GLU 7 HA GLU 7 6.091 -12.084 -4.314 56 1HB GLU 7 1HB GLU 7 4.617 -11.762 -1.805 57 2HB GLU 7 2HB GLU 7 3.589 -11.602 -3.222 58 1HG GLU 7 1HG GLU 7 5.159 -13.828 -3.751 59 2HG GLU 7 2HG GLU 7 4.753 -13.962 -2.042 60 H LEU 8 H LEU 8 4.917 -9.188 -2.668 61 HA LEU 8 HA LEU 8 3.561 -8.079 -4.875 62 1HB LEU 8 1HB LEU 8 3.163 -7.429 -2.528 63 2HB LEU 8 2HB LEU 8 4.755 -6.702 -2.465 64 HG LEU 8 HG LEU 8 2.637 -5.215 -2.816 65 1HD1 LEU 8 1HD1 LEU 8 5.051 -4.534 -2.866 66 2HD1 LEU 8 2HD1 LEU 8 5.003 -4.761 -4.614 67 3HD1 LEU 8 3HD1 LEU 8 3.966 -3.554 -3.853 68 1HD2 LEU 8 1HD2 LEU 8 2.101 -6.726 -4.903 69 2HD2 LEU 8 2HD2 LEU 8 1.758 -4.996 -4.915 70 3HD2 LEU 8 3HD2 LEU 8 3.206 -5.613 -5.709 71 H ALA 9 H ALA 9 6.884 -7.697 -3.642 72 HA ALA 9 HA ALA 9 7.637 -5.603 -5.370 73 1HB ALA 9 1HB ALA 9 9.046 -7.507 -3.639 74 2HB ALA 9 2HB ALA 9 9.233 -5.763 -3.811 75 3HB ALA 9 3HB ALA 9 9.989 -6.848 -4.976 76 H ALA 10 H ALA 10 8.186 -9.120 -5.723 77 HA ALA 10 HA ALA 10 9.474 -9.113 -8.151 78 1HB ALA 10 1HB ALA 10 8.217 -11.369 -8.470 79 2HB ALA 10 2HB ALA 10 9.367 -11.198 -7.143 80 3HB ALA 10 3HB ALA 10 7.635 -11.071 -6.832 81 H ALA 11 H ALA 11 6.045 -8.822 -7.409 82 HA ALA 11 HA ALA 11 5.126 -8.977 -10.067 83 1HB ALA 11 1HB ALA 11 3.922 -7.821 -7.581 84 2HB ALA 11 2HB ALA 11 3.505 -9.329 -8.394 85 3HB ALA 11 3HB ALA 11 3.089 -7.784 -9.136 86 H MET 12 H MET 12 6.252 -6.438 -8.073 87 HA MET 12 HA MET 12 5.546 -4.221 -9.666 88 1HB MET 12 1HB MET 12 8.086 -4.343 -8.066 89 2HB MET 12 2HB MET 12 7.091 -2.947 -8.401 90 1HG MET 12 1HG MET 12 6.241 -5.247 -6.679 91 2HG MET 12 2HG MET 12 6.936 -3.746 -6.075 92 1HE MET 12 1HE MET 12 5.996 -1.759 -7.967 93 2HE MET 12 2HE MET 12 4.302 -1.292 -7.812 94 3HE MET 12 3HE MET 12 5.373 -1.194 -6.416 95 H LYS 13 H LYS 13 8.569 -6.081 -9.514 96 HA LYS 13 HA LYS 13 10.029 -4.755 -11.445 97 1HB LYS 13 1HB LYS 13 10.530 -6.884 -9.909 98 2HB LYS 13 2HB LYS 13 10.188 -7.728 -11.413 99 1HG LYS 13 1HG LYS 13 11.886 -5.879 -12.335 100 2HG LYS 13 2HG LYS 13 12.470 -6.009 -10.676 101 1HD LYS 13 1HD LYS 13 12.920 -8.317 -10.911 102 2HD LYS 13 2HD LYS 13 12.003 -8.418 -12.416 103 1HE LYS 13 1HE LYS 13 14.364 -8.456 -12.911 104 2HE LYS 13 2HE LYS 13 13.667 -6.945 -13.490 105 1HZ LYS 13 1HZ LYS 13 14.580 -6.632 -10.835 106 2HZ LYS 13 2HZ LYS 13 15.828 -7.257 -11.792 107 3HZ LYS 13 3HZ LYS 13 15.069 -5.812 -12.230 108 H ARG 14 H ARG 14 7.794 -7.481 -11.870 109 HA ARG 14 HA ARG 14 8.047 -7.665 -14.663 110 1HB ARG 14 1HB ARG 14 6.155 -8.662 -12.613 111 2HB ARG 14 2HB ARG 14 5.530 -8.569 -14.254 112 1HG ARG 14 1HG ARG 14 7.962 -9.763 -14.627 113 2HG ARG 14 2HG ARG 14 7.445 -10.426 -13.076 114 1HD ARG 14 1HD ARG 14 5.459 -10.330 -15.282 115 2HD ARG 14 2HD ARG 14 6.746 -11.530 -15.386 116 HE ARG 14 HE ARG 14 4.561 -11.467 -13.480 117 1HH1 ARG 14 1HH1 ARG 14 7.643 -12.830 -14.366 118 2HH1 ARG 14 2HH1 ARG 14 7.442 -14.246 -13.390 119 1HH2 ARG 14 1HH2 ARG 14 4.288 -13.330 -12.193 120 2HH2 ARG 14 2HH2 ARG 14 5.534 -14.531 -12.156 121 H HIS 15 H HIS 15 5.923 -5.768 -12.570 122 HA HIS 15 HA HIS 15 4.350 -4.745 -14.708 123 1HB HIS 15 1HB HIS 15 4.597 -4.221 -11.780 124 2HB HIS 15 2HB HIS 15 3.758 -3.040 -12.780 125 HD1 HIS 15 HD1 HIS 15 2.292 -4.677 -10.600 126 HD2 HIS 15 HD2 HIS 15 2.448 -5.715 -14.621 127 HE1 HIS 15 HE1 HIS 15 0.291 -6.147 -10.993 128 HE2 HIS 15 HE2 HIS 15 0.358 -6.693 -13.452 129 H GLY 16 H GLY 16 7.536 -4.087 -13.912 130 1HA GLY 16 1HA GLY 16 7.542 -1.815 -15.598 131 2HA GLY 16 2HA GLY 16 8.920 -2.526 -14.788 132 H LEU 17 H LEU 17 7.495 -2.085 -12.057 133 HA LEU 17 HA LEU 17 7.532 0.818 -12.033 134 1HB LEU 17 1HB LEU 17 7.182 -0.866 -9.588 135 2HB LEU 17 2HB LEU 17 6.593 0.754 -9.894 136 HG LEU 17 HG LEU 17 5.394 -1.855 -10.548 137 1HD1 LEU 17 1HD1 LEU 17 4.740 0.439 -9.102 138 2HD1 LEU 17 2HD1 LEU 17 3.653 0.443 -10.491 139 3HD1 LEU 17 3HD1 LEU 17 3.704 -0.954 -9.417 140 1HD2 LEU 17 1HD2 LEU 17 5.300 0.470 -12.460 141 2HD2 LEU 17 2HD2 LEU 17 5.676 -1.217 -12.807 142 3HD2 LEU 17 3HD2 LEU 17 4.030 -0.751 -12.388 143 H ASP 18 H ASP 18 9.747 -1.538 -11.823 144 HA ASP 18 HA ASP 18 11.386 -0.504 -9.719 145 1HB ASP 18 1HB ASP 18 11.905 -2.708 -10.043 146 2HB ASP 18 2HB ASP 18 11.677 -2.625 -11.779 147 H ASN 19 H ASN 19 11.861 1.565 -9.981 148 HA ASN 19 HA ASN 19 12.919 3.441 -10.671 149 1HB ASN 19 1HB ASN 19 14.692 1.369 -11.211 150 2HB ASN 19 2HB ASN 19 14.625 2.263 -12.727 151 2HD2 ASN 19 2HD2 ASN 19 16.622 3.157 -12.631 152 1HD2 ASN 19 1HD2 ASN 19 17.103 4.312 -11.441 153 H TYR 20 H TYR 20 10.547 2.597 -11.961 154 HA TYR 20 HA TYR 20 10.691 3.076 -14.764 155 1HB TYR 20 1HB TYR 20 8.736 1.999 -13.621 156 2HB TYR 20 2HB TYR 20 8.350 3.552 -12.890 157 HD1 TYR 20 HD1 TYR 20 8.869 1.988 -16.242 158 HD2 TYR 20 HD2 TYR 20 6.842 4.949 -13.956 159 HE1 TYR 20 HE1 TYR 20 7.511 2.569 -18.208 160 HE2 TYR 20 HE2 TYR 20 5.477 5.536 -15.914 161 HH TYR 20 HH TYR 20 4.806 4.771 -17.989 162 H ARG 21 H ARG 21 9.608 5.126 -15.727 163 HA ARG 21 HA ARG 21 10.980 7.326 -15.575 164 1HB ARG 21 1HB ARG 21 8.482 6.837 -16.518 165 2HB ARG 21 2HB ARG 21 8.122 8.002 -15.252 166 1HG ARG 21 1HG ARG 21 8.529 9.538 -16.815 167 2HG ARG 21 2HG ARG 21 10.231 9.182 -16.514 168 1HD ARG 21 1HD ARG 21 10.436 7.899 -18.415 169 2HD ARG 21 2HD ARG 21 8.719 7.507 -18.462 170 HE ARG 21 HE ARG 21 9.659 10.226 -19.074 171 1HH1 ARG 21 1HH1 ARG 21 7.968 7.314 -19.973 172 2HH1 ARG 21 2HH1 ARG 21 7.292 7.999 -21.414 173 1HH2 ARG 21 1HH2 ARG 21 8.772 11.134 -20.968 174 2HH2 ARG 21 2HH2 ARG 21 7.749 10.170 -21.979 175 H GLY 22 H GLY 22 8.671 6.390 -13.113 176 1HA GLY 22 1HA GLY 22 8.179 7.274 -11.042 177 2HA GLY 22 2HA GLY 22 9.099 8.708 -11.474 178 H TYR 23 H TYR 23 9.104 5.738 -9.759 179 HA TYR 23 HA TYR 23 11.954 6.105 -9.152 180 1HB TYR 23 1HB TYR 23 9.668 5.855 -7.223 181 2HB TYR 23 2HB TYR 23 11.325 5.506 -6.743 182 HD1 TYR 23 HD1 TYR 23 9.333 8.181 -8.422 183 HD2 TYR 23 HD2 TYR 23 12.600 7.236 -5.869 184 HE1 TYR 23 HE1 TYR 23 9.705 10.576 -8.028 185 HE2 TYR 23 HE2 TYR 23 12.982 9.631 -5.466 186 HH TYR 23 HH TYR 23 12.463 11.828 -6.787 187 H SER 24 H SER 24 12.662 4.315 -7.514 188 HA SER 24 HA SER 24 12.475 1.859 -9.001 189 1HB SER 24 1HB SER 24 14.335 1.114 -7.663 190 2HB SER 24 2HB SER 24 14.641 2.773 -8.175 191 HG SER 24 HG SER 24 14.200 1.749 -5.649 192 H LEU 25 H LEU 25 12.383 -0.205 -7.870 193 HA LEU 25 HA LEU 25 10.002 -0.843 -6.819 194 1HB LEU 25 1HB LEU 25 12.656 -2.034 -6.868 195 2HB LEU 25 2HB LEU 25 11.696 -2.589 -5.508 196 HG LEU 25 HG LEU 25 10.423 -2.597 -8.184 197 1HD1 LEU 25 1HD1 LEU 25 12.923 -3.665 -7.992 198 2HD1 LEU 25 2HD1 LEU 25 11.905 -5.045 -7.575 199 3HD1 LEU 25 3HD1 LEU 25 11.671 -4.209 -9.111 200 1HD2 LEU 25 1HD2 LEU 25 10.376 -4.424 -5.785 201 2HD2 LEU 25 2HD2 LEU 25 9.137 -3.260 -6.253 202 3HD2 LEU 25 3HD2 LEU 25 9.443 -4.674 -7.261 203 H GLY 26 H GLY 26 12.886 -0.297 -4.766 204 1HA GLY 26 1HA GLY 26 13.041 0.621 -2.656 205 2HA GLY 26 2HA GLY 26 11.887 -0.646 -2.286 206 H ASN 27 H ASN 27 11.302 2.218 -4.273 207 HA ASN 27 HA ASN 27 10.009 3.694 -2.208 208 1HB ASN 27 1HB ASN 27 9.609 4.087 -5.170 209 2HB ASN 27 2HB ASN 27 9.470 5.287 -3.891 210 2HD2 ASN 27 2HD2 ASN 27 11.369 6.047 -2.882 211 1HD2 ASN 27 1HD2 ASN 27 12.901 5.941 -3.673 212 H TRP 28 H TRP 28 8.909 1.492 -4.702 213 HA TRP 28 HA TRP 28 6.124 1.983 -4.373 214 1HB TRP 28 1HB TRP 28 7.585 -0.367 -5.569 215 2HB TRP 28 2HB TRP 28 5.850 -0.080 -5.696 216 HD1 TRP 28 HD1 TRP 28 9.139 0.929 -7.188 217 HE1 TRP 28 HE1 TRP 28 8.750 2.596 -9.098 218 HE3 TRP 28 HE3 TRP 28 4.172 1.823 -6.458 219 HZ2 TRP 28 HZ2 TRP 28 6.604 4.082 -10.185 220 HZ3 TRP 28 HZ3 TRP 28 3.004 3.369 -7.970 221 HH2 TRP 28 HH2 TRP 28 4.199 4.481 -9.802 222 H VAL 29 H VAL 29 8.332 -0.517 -3.109 223 HA VAL 29 HA VAL 29 6.339 -2.005 -1.806 224 HB VAL 29 HB VAL 29 9.294 -1.805 -1.223 225 1HG1 VAL 29 1HG1 VAL 29 7.239 -3.097 0.239 226 2HG1 VAL 29 2HG1 VAL 29 8.211 -4.341 -0.547 227 3HG1 VAL 29 3HG1 VAL 29 8.981 -3.154 0.506 228 1HG2 VAL 29 1HG2 VAL 29 8.220 -2.649 -3.524 229 2HG2 VAL 29 2HG2 VAL 29 9.686 -3.345 -2.834 230 3HG2 VAL 29 3HG2 VAL 29 8.133 -4.148 -2.601 231 H CYS 30 H CYS 30 8.634 0.411 -0.562 232 HA CYS 30 HA CYS 30 7.766 0.309 2.092 233 1HB CYS 30 1HB CYS 30 9.872 1.366 1.394 234 2HB CYS 30 2HB CYS 30 8.963 2.656 0.610 235 H ALA 31 H ALA 31 6.715 2.426 -0.585 236 HA ALA 31 HA ALA 31 4.948 3.996 0.931 237 1HB ALA 31 1HB ALA 31 5.841 4.411 -1.422 238 2HB ALA 31 2HB ALA 31 4.160 4.839 -1.107 239 3HB ALA 31 3HB ALA 31 4.544 3.350 -1.972 240 H ALA 32 H ALA 32 4.379 1.070 -1.006 241 HA ALA 32 HA ALA 32 1.591 0.967 -0.530 242 1HB ALA 32 1HB ALA 32 2.479 -0.184 -2.418 243 2HB ALA 32 2HB ALA 32 1.801 -1.394 -1.328 244 3HB ALA 32 3HB ALA 32 3.546 -1.151 -1.400 245 H LYS 33 H LYS 33 4.332 -0.713 0.996 246 HA LYS 33 HA LYS 33 3.043 -2.420 2.682 247 1HB LYS 33 1HB LYS 33 5.504 -2.229 2.403 248 2HB LYS 33 2HB LYS 33 5.472 -0.778 3.396 249 1HG LYS 33 1HG LYS 33 4.147 -2.723 4.896 250 2HG LYS 33 2HG LYS 33 5.545 -3.538 4.191 251 1HD LYS 33 1HD LYS 33 6.652 -1.193 4.999 252 2HD LYS 33 2HD LYS 33 5.411 -1.426 6.232 253 1HE LYS 33 1HE LYS 33 7.462 -3.492 5.442 254 2HE LYS 33 2HE LYS 33 7.610 -2.413 6.829 255 1HZ LYS 33 1HZ LYS 33 5.108 -3.762 6.837 256 2HZ LYS 33 2HZ LYS 33 6.385 -4.871 6.780 257 3HZ LYS 33 3HZ LYS 33 6.309 -3.730 8.027 258 H PHE 34 H PHE 34 4.015 0.905 3.538 259 HA PHE 34 HA PHE 34 2.541 0.787 5.963 260 1HB PHE 34 1HB PHE 34 4.227 2.745 4.640 261 2HB PHE 34 2HB PHE 34 3.055 3.397 5.767 262 HD1 PHE 34 HD1 PHE 34 3.086 2.556 8.139 263 HD2 PHE 34 HD2 PHE 34 6.205 1.726 5.365 264 HE1 PHE 34 HE1 PHE 34 4.587 1.991 10.003 265 HE2 PHE 34 HE2 PHE 34 7.713 1.158 7.224 266 HZ PHE 34 HZ PHE 34 6.905 1.290 9.547 267 H GLU 35 H GLU 35 1.753 1.755 2.754 268 HA GLU 35 HA GLU 35 -0.323 3.551 3.317 269 1HB GLU 35 1HB GLU 35 0.821 2.253 1.046 270 2HB GLU 35 2HB GLU 35 -0.926 2.076 0.964 271 1HG GLU 35 1HG GLU 35 -1.240 4.232 0.482 272 2HG GLU 35 2HG GLU 35 -0.051 4.770 1.670 273 H SER 36 H SER 36 -0.488 0.106 2.449 274 HA SER 36 HA SER 36 -3.061 -0.059 3.884 275 1HB SER 36 1HB SER 36 -3.747 -1.679 2.023 276 2HB SER 36 2HB SER 36 -3.666 0.026 1.585 277 HG SER 36 HG SER 36 -1.489 -0.459 0.829 278 H ASN 37 H ASN 37 -0.056 -1.076 4.126 279 HA ASN 37 HA ASN 37 0.986 -2.896 5.041 280 1HB ASN 37 1HB ASN 37 -1.856 -3.341 5.936 281 2HB ASN 37 2HB ASN 37 -0.600 -4.520 6.303 282 2HD2 ASN 37 2HD2 ASN 37 1.166 -3.872 7.611 283 1HD2 ASN 37 1HD2 ASN 37 1.009 -2.548 8.710 284 H PHE 38 H PHE 38 -0.014 -2.871 2.327 285 HA PHE 38 HA PHE 38 0.040 -4.121 0.490 286 1HB PHE 38 1HB PHE 38 0.889 -6.270 2.431 287 2HB PHE 38 2HB PHE 38 0.783 -6.525 0.692 288 HD1 PHE 38 HD1 PHE 38 1.820 -4.068 -0.421 289 HD2 PHE 38 HD2 PHE 38 3.138 -6.260 2.978 290 HE1 PHE 38 HE1 PHE 38 4.073 -3.132 -0.703 291 HE2 PHE 38 HE2 PHE 38 5.397 -5.323 2.705 292 HZ PHE 38 HZ PHE 38 5.870 -3.764 0.860 293 H ASN 39 H ASN 39 -2.373 -3.829 2.231 294 HA ASN 39 HA ASN 39 -3.885 -6.241 1.774 295 1HB ASN 39 1HB ASN 39 -4.305 -4.748 3.729 296 2HB ASN 39 2HB ASN 39 -4.877 -3.509 2.616 297 2HD2 ASN 39 2HD2 ASN 39 -6.733 -3.867 4.193 298 1HD2 ASN 39 1HD2 ASN 39 -7.939 -5.002 3.699 299 H THR 40 H THR 40 -4.432 -6.748 -0.223 300 HA THR 40 HA THR 40 -4.620 -4.882 -2.350 301 HB THR 40 HB THR 40 -4.895 -6.697 -3.728 302 HG1 THR 40 HG1 THR 40 -6.397 -7.940 -1.645 303 1HG2 THR 40 1HG2 THR 40 -3.946 -7.985 -1.173 304 2HG2 THR 40 2HG2 THR 40 -3.799 -8.697 -2.781 305 3HG2 THR 40 3HG2 THR 40 -2.941 -7.205 -2.395 306 H GLN 41 H GLN 41 -6.787 -6.219 -0.064 307 HA GLN 41 HA GLN 41 -9.155 -5.229 -1.439 308 1HB GLN 41 1HB GLN 41 -8.557 -7.160 0.723 309 2HB GLN 41 2HB GLN 41 -10.077 -6.307 0.839 310 1HG GLN 41 1HG GLN 41 -9.532 -7.401 -1.811 311 2HG GLN 41 2HG GLN 41 -9.660 -8.614 -0.540 312 2HE2 GLN 41 2HE2 GLN 41 -11.611 -9.441 -0.448 313 1HE2 GLN 41 1HE2 GLN 41 -13.097 -8.590 -0.678 314 H ALA 42 H ALA 42 -6.891 -3.816 0.329 315 HA ALA 42 HA ALA 42 -8.190 -2.616 2.500 316 1HB ALA 42 1HB ALA 42 -6.235 -1.595 2.846 317 2HB ALA 42 2HB ALA 42 -5.649 -2.599 1.521 318 3HB ALA 42 3HB ALA 42 -6.173 -0.945 1.207 319 H THR 43 H THR 43 -9.823 -1.263 2.553 320 HA THR 43 HA THR 43 -10.068 0.819 0.492 321 HB THR 43 HB THR 43 -12.419 0.519 0.278 322 HG1 THR 43 HG1 THR 43 -13.036 0.010 2.361 323 1HG2 THR 43 1HG2 THR 43 -10.644 -1.719 -0.196 324 2HG2 THR 43 2HG2 THR 43 -12.303 -2.257 0.069 325 3HG2 THR 43 3HG2 THR 43 -11.949 -1.086 -1.202 326 H ASN 44 H ASN 44 -10.076 2.781 1.500 327 HA ASN 44 HA ASN 44 -11.324 2.963 4.153 328 1HB ASN 44 1HB ASN 44 -8.849 2.744 4.396 329 2HB ASN 44 2HB ASN 44 -8.665 4.226 3.464 330 2HD2 ASN 44 2HD2 ASN 44 -10.542 3.041 6.236 331 1HD2 ASN 44 1HD2 ASN 44 -10.299 4.443 7.215 332 H ARG 45 H ARG 45 -12.920 4.366 3.990 333 HA ARG 45 HA ARG 45 -12.972 6.395 1.952 334 1HB ARG 45 1HB ARG 45 -15.158 7.011 3.021 335 2HB ARG 45 2HB ARG 45 -15.050 5.341 2.480 336 1HG ARG 45 1HG ARG 45 -14.277 4.950 4.972 337 2HG ARG 45 2HG ARG 45 -15.184 6.441 5.232 338 1HD ARG 45 1HD ARG 45 -17.169 5.459 4.293 339 2HD ARG 45 2HD ARG 45 -16.281 4.006 3.834 340 HE ARG 45 HE ARG 45 -15.908 3.943 6.435 341 1HH1 ARG 45 1HH1 ARG 45 -18.805 4.745 4.674 342 2HH1 ARG 45 2HH1 ARG 45 -19.872 4.177 5.915 343 1HH2 ARG 45 1HH2 ARG 45 -17.304 3.193 8.074 344 2HH2 ARG 45 2HH2 ARG 45 -19.018 3.296 7.849 345 H ASN 46 H ASN 46 -12.994 8.624 2.243 346 HA ASN 46 HA ASN 46 -11.777 9.544 4.762 347 1HB ASN 46 1HB ASN 46 -11.659 11.062 2.170 348 2HB ASN 46 2HB ASN 46 -10.603 11.194 3.572 349 2HD2 ASN 46 2HD2 ASN 46 -9.431 9.091 4.099 350 1HD2 ASN 46 1HD2 ASN 46 -8.736 8.256 2.754 351 H THR 47 H THR 47 -12.158 12.049 4.975 352 HA THR 47 HA THR 47 -15.027 12.360 5.233 353 HB THR 47 HB THR 47 -14.456 14.479 6.412 354 HG1 THR 47 HG1 THR 47 -12.144 14.698 6.912 355 1HG2 THR 47 1HG2 THR 47 -14.039 11.826 7.253 356 2HG2 THR 47 2HG2 THR 47 -12.698 12.769 7.903 357 3HG2 THR 47 3HG2 THR 47 -14.359 13.238 8.260 358 H ASP 48 H ASP 48 -12.457 13.536 3.210 359 HA ASP 48 HA ASP 48 -13.778 15.846 2.217 360 1HB ASP 48 1HB ASP 48 -12.104 15.640 0.332 361 2HB ASP 48 2HB ASP 48 -11.418 15.746 1.949 362 H GLY 49 H GLY 49 -14.302 12.544 1.726 363 1HA GLY 49 1HA GLY 49 -15.938 13.154 -0.658 364 2HA GLY 49 2HA GLY 49 -16.384 11.975 0.566 365 H SER 50 H SER 50 -13.097 12.197 -0.565 366 HA SER 50 HA SER 50 -13.398 10.168 -2.576 367 1HB SER 50 1HB SER 50 -10.744 10.229 -2.250 368 2HB SER 50 2HB SER 50 -11.606 11.467 -3.161 369 HG SER 50 HG SER 50 -11.597 12.758 -1.292 370 H THR 51 H THR 51 -11.441 8.409 -2.336 371 HA THR 51 HA THR 51 -11.294 7.218 0.277 372 HB THR 51 HB THR 51 -12.827 5.739 -1.868 373 HG1 THR 51 HG1 THR 51 -14.223 7.230 -1.022 374 1HG2 THR 51 1HG2 THR 51 -11.414 4.818 0.403 375 2HG2 THR 51 2HG2 THR 51 -13.134 4.667 0.759 376 3HG2 THR 51 3HG2 THR 51 -12.459 3.897 -0.676 377 H ASP 52 H ASP 52 -9.909 5.290 0.292 378 HA ASP 52 HA ASP 52 -8.140 5.192 -2.060 379 1HB ASP 52 1HB ASP 52 -7.565 4.617 0.855 380 2HB ASP 52 2HB ASP 52 -6.422 4.338 -0.455 381 H TYR 53 H TYR 53 -9.077 3.598 -3.239 382 HA TYR 53 HA TYR 53 -9.656 1.065 -1.897 383 1HB TYR 53 1HB TYR 53 -10.393 2.046 -4.656 384 2HB TYR 53 2HB TYR 53 -10.777 0.450 -4.026 385 HD1 TYR 53 HD1 TYR 53 -12.108 0.446 -1.752 386 HD2 TYR 53 HD2 TYR 53 -11.973 3.720 -4.463 387 HE1 TYR 53 HE1 TYR 53 -14.214 1.301 -0.813 388 HE2 TYR 53 HE2 TYR 53 -14.076 4.588 -3.530 389 HH TYR 53 HH TYR 53 -15.793 2.856 -0.947 390 H GLY 54 H GLY 54 -7.306 0.647 -1.707 391 1HA GLY 54 1HA GLY 54 -5.862 0.125 -4.151 392 2HA GLY 54 2HA GLY 54 -6.458 -1.343 -3.407 393 H ILE 55 H ILE 55 -4.137 -1.794 -3.517 394 HA ILE 55 HA ILE 55 -2.937 -1.538 -0.939 395 HB ILE 55 HB ILE 55 -2.552 -3.494 -2.486 396 1HG1 ILE 55 1HG1 ILE 55 -0.071 -1.986 -1.624 397 2HG1 ILE 55 2HG1 ILE 55 -1.034 -3.047 -0.602 398 1HG2 ILE 55 1HG2 ILE 55 -2.331 -2.061 -4.531 399 2HG2 ILE 55 2HG2 ILE 55 -0.717 -1.624 -3.974 400 3HG2 ILE 55 3HG2 ILE 55 -1.091 -3.303 -4.360 401 1HD1 ILE 55 1HD1 ILE 55 -0.393 -4.613 -2.792 402 2HD1 ILE 55 2HD1 ILE 55 1.073 -3.686 -2.466 403 3HD1 ILE 55 3HD1 ILE 55 0.351 -4.670 -1.193 404 H LEU 56 H LEU 56 -2.978 0.246 -3.842 405 HA LEU 56 HA LEU 56 -0.777 1.967 -2.929 406 1HB LEU 56 1HB LEU 56 -1.378 0.868 -5.515 407 2HB LEU 56 2HB LEU 56 -1.509 2.613 -5.596 408 HG LEU 56 HG LEU 56 0.712 2.183 -6.216 409 1HD1 LEU 56 1HD1 LEU 56 0.228 3.651 -3.988 410 2HD1 LEU 56 2HD1 LEU 56 1.436 2.513 -3.391 411 3HD1 LEU 56 3HD1 LEU 56 1.794 3.529 -4.788 412 1HD2 LEU 56 1HD2 LEU 56 0.401 -0.231 -5.054 413 2HD2 LEU 56 2HD2 LEU 56 1.956 0.416 -5.579 414 3HD2 LEU 56 3HD2 LEU 56 1.473 0.544 -3.888 415 H GLN 57 H GLN 57 -3.966 1.670 -2.717 416 HA GLN 57 HA GLN 57 -5.639 3.062 -2.152 417 1HB GLN 57 1HB GLN 57 -3.590 5.265 -2.414 418 2HB GLN 57 2HB GLN 57 -5.169 5.411 -1.656 419 1HG GLN 57 1HG GLN 57 -4.388 3.552 -0.089 420 2HG GLN 57 2HG GLN 57 -2.772 3.888 -0.708 421 2HE2 GLN 57 2HE2 GLN 57 -2.535 6.481 -0.864 422 1HE2 GLN 57 1HE2 GLN 57 -2.815 7.264 0.651 423 H ILE 58 H ILE 58 -6.459 2.371 -4.364 424 HA ILE 58 HA ILE 58 -6.183 4.334 -6.456 425 HB ILE 58 HB ILE 58 -8.196 2.101 -6.437 426 1HG1 ILE 58 1HG1 ILE 58 -6.150 1.008 -5.823 427 2HG1 ILE 58 2HG1 ILE 58 -6.414 0.705 -7.537 428 1HG2 ILE 58 1HG2 ILE 58 -7.878 4.029 -8.227 429 2HG2 ILE 58 2HG2 ILE 58 -6.639 2.925 -8.823 430 3HG2 ILE 58 3HG2 ILE 58 -8.312 2.384 -8.692 431 1HD1 ILE 58 1HD1 ILE 58 -4.875 3.036 -7.404 432 2HD1 ILE 58 2HD1 ILE 58 -4.181 1.923 -6.226 433 3HD1 ILE 58 3HD1 ILE 58 -4.359 1.426 -7.909 434 H ASN 59 H ASN 59 -7.105 6.250 -5.897 435 HA ASN 59 HA ASN 59 -9.517 6.462 -4.441 436 1HB ASN 59 1HB ASN 59 -7.802 8.239 -4.511 437 2HB ASN 59 2HB ASN 59 -8.162 8.506 -6.214 438 2HD2 ASN 59 2HD2 ASN 59 -10.817 7.688 -4.217 439 1HD2 ASN 59 1HD2 ASN 59 -11.490 9.272 -4.078 440 H SER 60 H SER 60 -11.214 5.389 -5.360 441 HA SER 60 HA SER 60 -11.796 5.378 -8.120 442 1HB SER 60 1HB SER 60 -13.653 4.123 -7.564 443 2HB SER 60 2HB SER 60 -12.656 3.869 -6.131 444 HG SER 60 HG SER 60 -14.712 4.438 -5.472 445 H ARG 61 H ARG 61 -12.170 7.835 -5.794 446 HA ARG 61 HA ARG 61 -14.369 9.108 -7.242 447 1HB ARG 61 1HB ARG 61 -14.065 8.966 -4.631 448 2HB ARG 61 2HB ARG 61 -13.009 10.348 -4.880 449 1HG ARG 61 1HG ARG 61 -15.316 10.940 -6.322 450 2HG ARG 61 2HG ARG 61 -15.883 10.220 -4.815 451 1HD ARG 61 1HD ARG 61 -14.785 11.837 -3.507 452 2HD ARG 61 2HD ARG 61 -13.796 12.379 -4.862 453 HE ARG 61 HE ARG 61 -15.523 13.724 -5.552 454 1HH1 ARG 61 1HH1 ARG 61 -16.684 11.494 -3.139 455 2HH1 ARG 61 2HH1 ARG 61 -18.218 12.278 -2.968 456 1HH2 ARG 61 1HH2 ARG 61 -17.542 14.762 -5.333 457 2HH2 ARG 61 2HH2 ARG 61 -18.707 14.135 -4.215 458 H TRP 62 H TRP 62 -11.527 8.775 -8.177 459 HA TRP 62 HA TRP 62 -11.269 11.396 -9.322 460 1HB TRP 62 1HB TRP 62 -10.096 11.306 -6.950 461 2HB TRP 62 2HB TRP 62 -8.795 10.575 -7.884 462 HD1 TRP 62 HD1 TRP 62 -7.311 12.159 -9.326 463 HE1 TRP 62 HE1 TRP 62 -7.244 14.705 -9.697 464 HE3 TRP 62 HE3 TRP 62 -11.738 13.421 -7.103 465 HZ2 TRP 62 HZ2 TRP 62 -8.855 16.952 -9.123 466 HZ3 TRP 62 HZ3 TRP 62 -12.402 15.790 -7.057 467 HH2 TRP 62 HH2 TRP 62 -10.989 17.517 -8.046 468 H TRP 63 H TRP 63 -10.602 8.062 -9.353 469 HA TRP 63 HA TRP 63 -9.028 8.426 -11.805 470 1HB TRP 63 1HB TRP 63 -8.551 6.405 -9.608 471 2HB TRP 63 2HB TRP 63 -7.792 6.324 -11.196 472 HD1 TRP 63 HD1 TRP 63 -6.773 7.258 -7.935 473 HE1 TRP 63 HE1 TRP 63 -5.002 9.133 -7.945 474 HE3 TRP 63 HE3 TRP 63 -7.419 8.930 -12.690 475 HZ2 TRP 63 HZ2 TRP 63 -4.023 11.087 -9.761 476 HZ3 TRP 63 HZ3 TRP 63 -6.084 10.799 -13.501 477 HH2 TRP 63 HH2 TRP 63 -4.394 11.862 -12.069 478 H CYS 64 H CYS 64 -10.386 5.650 -10.084 479 HA CYS 64 HA CYS 64 -11.399 4.640 -12.617 480 1HB CYS 64 1HB CYS 64 -11.450 2.548 -11.652 481 2HB CYS 64 2HB CYS 64 -10.238 3.305 -10.625 482 H ASN 65 H ASN 65 -13.506 3.936 -12.986 483 HA ASN 65 HA ASN 65 -15.515 5.596 -11.659 484 1HB ASN 65 1HB ASN 65 -15.420 5.544 -14.140 485 2HB ASN 65 2HB ASN 65 -15.780 3.821 -14.098 486 2HD2 ASN 65 2HD2 ASN 65 -17.842 3.136 -13.636 487 1HD2 ASN 65 1HD2 ASN 65 -19.197 4.207 -13.587 488 H ASP 66 H ASP 66 -16.312 4.720 -9.852 489 HA ASP 66 HA ASP 66 -16.773 1.826 -9.761 490 1HB ASP 66 1HB ASP 66 -16.827 2.020 -7.371 491 2HB ASP 66 2HB ASP 66 -15.427 2.914 -7.952 492 H GLY 67 H GLY 67 -18.451 4.769 -10.128 493 1HA GLY 67 1HA GLY 67 -20.953 3.440 -10.364 494 2HA GLY 67 2HA GLY 67 -20.689 5.173 -10.443 495 H ARG 68 H ARG 68 -19.435 3.842 -7.596 496 HA ARG 68 HA ARG 68 -21.909 4.031 -6.096 497 1HB ARG 68 1HB ARG 68 -19.077 3.387 -5.266 498 2HB ARG 68 2HB ARG 68 -20.436 3.434 -4.152 499 1HG ARG 68 1HG ARG 68 -21.209 1.438 -4.811 500 2HG ARG 68 2HG ARG 68 -20.857 1.749 -6.512 501 1HD ARG 68 1HD ARG 68 -18.453 1.343 -6.026 502 2HD ARG 68 2HD ARG 68 -18.902 0.892 -4.382 503 HE ARG 68 HE ARG 68 -20.110 -0.565 -6.614 504 1HH1 ARG 68 1HH1 ARG 68 -17.900 -0.490 -3.920 505 2HH1 ARG 68 2HH1 ARG 68 -17.718 -2.211 -3.856 506 1HH2 ARG 68 1HH2 ARG 68 -19.876 -2.831 -6.537 507 2HH2 ARG 68 2HH2 ARG 68 -18.840 -3.542 -5.343 508 H THR 69 H THR 69 -19.719 6.216 -7.219 509 HA THR 69 HA THR 69 -20.396 8.115 -5.080 510 HB THR 69 HB THR 69 -17.744 8.389 -6.421 511 HG1 THR 69 HG1 THR 69 -17.221 6.469 -5.665 512 1HG2 THR 69 1HG2 THR 69 -18.602 10.138 -4.916 513 2HG2 THR 69 2HG2 THR 69 -18.710 8.953 -3.614 514 3HG2 THR 69 3HG2 THR 69 -17.136 9.388 -4.281 515 HA PRO 70 HA PRO 70 -21.802 10.227 -8.799 516 1HB PRO 70 1HB PRO 70 -22.955 12.323 -7.506 517 2HB PRO 70 2HB PRO 70 -23.728 10.740 -7.657 518 1HG PRO 70 1HG PRO 70 -22.208 11.896 -5.350 519 2HG PRO 70 2HG PRO 70 -23.722 10.973 -5.342 520 1HD PRO 70 1HD PRO 70 -21.337 9.850 -4.744 521 2HD PRO 70 2HD PRO 70 -22.636 8.949 -5.550 522 H GLY 71 H GLY 71 -19.995 10.996 -9.801 523 1HA GLY 71 1HA GLY 71 -18.685 13.354 -8.603 524 2HA GLY 71 2HA GLY 71 -19.183 13.353 -10.287 525 H SER 72 H SER 72 -18.358 10.331 -10.114 526 HA SER 72 HA SER 72 -15.582 10.222 -9.755 527 1HB SER 72 1HB SER 72 -16.924 8.194 -9.829 528 2HB SER 72 2HB SER 72 -17.378 8.521 -11.501 529 HG SER 72 HG SER 72 -14.932 7.646 -10.452 530 H ARG 73 H ARG 73 -13.957 10.991 -10.917 531 HA ARG 73 HA ARG 73 -14.418 12.429 -13.340 532 1HB ARG 73 1HB ARG 73 -12.275 12.115 -11.428 533 2HB ARG 73 2HB ARG 73 -11.655 12.017 -13.069 534 1HG ARG 73 1HG ARG 73 -11.548 14.249 -12.883 535 2HG ARG 73 2HG ARG 73 -13.261 14.167 -13.297 536 1HD ARG 73 1HD ARG 73 -13.876 14.255 -10.970 537 2HD ARG 73 2HD ARG 73 -12.185 14.167 -10.481 538 HE ARG 73 HE ARG 73 -12.017 16.379 -11.770 539 1HH1 ARG 73 1HH1 ARG 73 -14.819 15.320 -9.991 540 2HH1 ARG 73 2HH1 ARG 73 -15.363 16.927 -9.642 541 1HH2 ARG 73 1HH2 ARG 73 -12.726 18.497 -11.314 542 2HH2 ARG 73 2HH2 ARG 73 -14.174 18.733 -10.394 543 H ASN 74 H ASN 74 -12.873 9.351 -12.537 544 HA ASN 74 HA ASN 74 -12.367 7.505 -13.790 545 1HB ASN 74 1HB ASN 74 -14.755 8.201 -14.743 546 2HB ASN 74 2HB ASN 74 -13.815 8.579 -16.183 547 2HD2 ASN 74 2HD2 ASN 74 -14.748 6.943 -17.378 548 1HD2 ASN 74 1HD2 ASN 74 -14.393 5.275 -17.105 549 H LEU 75 H LEU 75 -10.767 9.917 -13.786 550 HA LEU 75 HA LEU 75 -9.667 10.746 -16.162 551 1HB LEU 75 1HB LEU 75 -8.822 10.371 -13.365 552 2HB LEU 75 2HB LEU 75 -7.526 10.559 -14.523 553 HG LEU 75 HG LEU 75 -9.824 12.490 -14.076 554 1HD1 LEU 75 1HD1 LEU 75 -8.266 12.416 -12.185 555 2HD1 LEU 75 2HD1 LEU 75 -6.926 12.752 -13.281 556 3HD1 LEU 75 3HD1 LEU 75 -8.192 13.956 -13.041 557 1HD2 LEU 75 1HD2 LEU 75 -8.535 12.259 -16.384 558 2HD2 LEU 75 2HD2 LEU 75 -9.014 13.827 -15.736 559 3HD2 LEU 75 3HD2 LEU 75 -7.355 13.261 -15.540 560 H CYS 76 H CYS 76 -8.910 8.086 -14.142 561 HA CYS 76 HA CYS 76 -6.853 6.977 -15.783 562 1HB CYS 76 1HB CYS 76 -7.554 6.929 -13.174 563 2HB CYS 76 2HB CYS 76 -8.154 5.367 -13.709 564 H ASN 77 H ASN 77 -10.265 6.592 -15.303 565 HA ASN 77 HA ASN 77 -11.860 5.237 -16.231 566 1HB ASN 77 1HB ASN 77 -10.940 6.529 -18.235 567 2HB ASN 77 2HB ASN 77 -10.009 5.083 -18.614 568 2HD2 ASN 77 2HD2 ASN 77 -11.509 5.700 -20.570 569 1HD2 ASN 77 1HD2 ASN 77 -12.971 4.785 -20.651 570 H ILE 78 H ILE 78 -10.558 3.831 -14.503 571 HA ILE 78 HA ILE 78 -9.877 1.322 -15.858 572 HB ILE 78 HB ILE 78 -8.094 0.933 -14.533 573 1HG1 ILE 78 1HG1 ILE 78 -9.807 2.118 -12.420 574 2HG1 ILE 78 2HG1 ILE 78 -8.819 0.664 -12.381 575 1HG2 ILE 78 1HG2 ILE 78 -7.723 3.084 -15.633 576 2HG2 ILE 78 2HG2 ILE 78 -8.348 3.915 -14.208 577 3HG2 ILE 78 3HG2 ILE 78 -6.859 2.977 -14.098 578 1HD1 ILE 78 1HD1 ILE 78 -6.822 2.257 -12.266 579 2HD1 ILE 78 2HD1 ILE 78 -8.009 3.499 -11.873 580 3HD1 ILE 78 3HD1 ILE 78 -7.833 2.088 -10.830 581 HA PRO 79 HA PRO 79 -12.949 -0.538 -13.229 582 1HB PRO 79 1HB PRO 79 -12.350 -3.128 -13.560 583 2HB PRO 79 2HB PRO 79 -12.953 -2.157 -14.907 584 1HG PRO 79 1HG PRO 79 -10.193 -3.100 -14.339 585 2HG PRO 79 2HG PRO 79 -10.996 -2.839 -15.896 586 1HD PRO 79 1HD PRO 79 -9.201 -1.083 -14.607 587 2HD PRO 79 2HD PRO 79 -10.211 -0.717 -16.019 588 H CYS 80 H CYS 80 -12.597 -0.052 -11.081 589 HA CYS 80 HA CYS 80 -10.271 -0.635 -9.664 590 1HB CYS 80 1HB CYS 80 -13.014 0.218 -8.941 591 2HB CYS 80 2HB CYS 80 -12.035 -0.474 -7.650 592 H SER 81 H SER 81 -13.344 -2.465 -9.733 593 HA SER 81 HA SER 81 -12.679 -4.426 -7.907 594 1HB SER 81 1HB SER 81 -14.402 -5.764 -8.884 595 2HB SER 81 2HB SER 81 -14.908 -4.084 -9.052 596 HG SER 81 HG SER 81 -13.693 -4.400 -11.217 597 H ALA 82 H ALA 82 -11.550 -4.032 -11.187 598 HA ALA 82 HA ALA 82 -10.568 -6.693 -11.519 599 1HB ALA 82 1HB ALA 82 -11.120 -5.104 -13.378 600 2HB ALA 82 2HB ALA 82 -9.561 -5.914 -13.527 601 3HB ALA 82 3HB ALA 82 -9.636 -4.237 -12.987 602 H LEU 83 H LEU 83 -9.526 -4.127 -9.659 603 HA LEU 83 HA LEU 83 -6.728 -5.033 -9.664 604 1HB LEU 83 1HB LEU 83 -6.058 -2.949 -8.984 605 2HB LEU 83 2HB LEU 83 -7.465 -2.538 -9.945 606 HG LEU 83 HG LEU 83 -8.588 -2.806 -7.479 607 1HD1 LEU 83 1HD1 LEU 83 -5.799 -2.654 -7.010 608 2HD1 LEU 83 2HD1 LEU 83 -7.114 -2.643 -5.835 609 3HD1 LEU 83 3HD1 LEU 83 -6.517 -1.125 -6.504 610 1HD2 LEU 83 1HD2 LEU 83 -8.752 -0.959 -9.196 611 2HD2 LEU 83 2HD2 LEU 83 -8.814 -0.456 -7.506 612 3HD2 LEU 83 3HD2 LEU 83 -7.329 -0.248 -8.434 613 H LEU 84 H LEU 84 -9.599 -5.325 -7.968 614 HA LEU 84 HA LEU 84 -8.214 -5.911 -5.447 615 1HB LEU 84 1HB LEU 84 -11.182 -5.771 -5.633 616 2HB LEU 84 2HB LEU 84 -10.123 -5.337 -4.302 617 HG LEU 84 HG LEU 84 -10.001 -3.700 -6.784 618 1HD1 LEU 84 1HD1 LEU 84 -12.414 -4.104 -5.287 619 2HD1 LEU 84 2HD1 LEU 84 -11.856 -2.440 -5.110 620 3HD1 LEU 84 3HD1 LEU 84 -12.135 -3.111 -6.718 621 1HD2 LEU 84 1HD2 LEU 84 -8.447 -3.299 -4.940 622 2HD2 LEU 84 2HD2 LEU 84 -9.523 -1.924 -5.188 623 3HD2 LEU 84 3HD2 LEU 84 -9.806 -3.037 -3.849 624 H SER 85 H SER 85 -8.010 -7.726 -7.538 625 HA SER 85 HA SER 85 -9.504 -9.989 -6.423 626 1HB SER 85 1HB SER 85 -9.268 -9.159 -9.277 627 2HB SER 85 2HB SER 85 -9.218 -10.888 -8.928 628 HG SER 85 HG SER 85 -11.337 -10.441 -9.168 629 H SER 86 H SER 86 -7.017 -9.018 -5.767 630 HA SER 86 HA SER 86 -4.995 -9.846 -5.098 631 1HB SER 86 1HB SER 86 -4.631 -12.108 -5.083 632 2HB SER 86 2HB SER 86 -6.344 -12.156 -5.499 633 HG SER 86 HG SER 86 -4.401 -13.179 -6.874 634 H ASP 87 H ASP 87 -5.829 -8.518 -7.644 635 HA ASP 87 HA ASP 87 -3.381 -8.950 -9.209 636 1HB ASP 87 1HB ASP 87 -5.633 -9.607 -10.181 637 2HB ASP 87 2HB ASP 87 -6.022 -7.894 -10.186 638 H ILE 88 H ILE 88 -2.006 -7.277 -8.962 639 HA ILE 88 HA ILE 88 -3.034 -4.669 -8.189 640 HB ILE 88 HB ILE 88 -0.424 -4.180 -8.404 641 1HG1 ILE 88 1HG1 ILE 88 -0.372 -7.056 -7.537 642 2HG1 ILE 88 2HG1 ILE 88 -0.180 -6.629 -9.235 643 1HG2 ILE 88 1HG2 ILE 88 -2.039 -5.366 -6.205 644 2HG2 ILE 88 2HG2 ILE 88 -0.310 -5.110 -5.964 645 3HG2 ILE 88 3HG2 ILE 88 -1.358 -3.747 -6.361 646 1HD1 ILE 88 1HD1 ILE 88 1.529 -5.160 -7.346 647 2HD1 ILE 88 2HD1 ILE 88 1.857 -6.885 -7.513 648 3HD1 ILE 88 3HD1 ILE 88 1.900 -5.838 -8.931 649 H THR 89 H THR 89 -2.481 -6.268 -11.051 650 HA THR 89 HA THR 89 -1.144 -4.588 -12.728 651 HB THR 89 HB THR 89 -3.747 -5.834 -13.579 652 HG1 THR 89 HG1 THR 89 -2.002 -7.634 -14.013 653 1HG2 THR 89 1HG2 THR 89 -1.175 -5.064 -14.900 654 2HG2 THR 89 2HG2 THR 89 -2.159 -6.359 -15.582 655 3HG2 THR 89 3HG2 THR 89 -2.833 -4.738 -15.404 656 H ALA 90 H ALA 90 -4.674 -4.429 -12.170 657 HA ALA 90 HA ALA 90 -5.105 -2.123 -13.618 658 1HB ALA 90 1HB ALA 90 -6.617 -3.645 -11.599 659 2HB ALA 90 2HB ALA 90 -7.130 -1.983 -11.891 660 3HB ALA 90 3HB ALA 90 -7.081 -3.137 -13.223 661 H SER 91 H SER 91 -4.465 -2.519 -10.149 662 HA SER 91 HA SER 91 -4.750 0.200 -9.449 663 1HB SER 91 1HB SER 91 -2.873 -0.908 -7.687 664 2HB SER 91 2HB SER 91 -4.615 -0.788 -7.442 665 HG SER 91 HG SER 91 -3.545 -2.910 -8.945 666 H VAL 92 H VAL 92 -2.073 -1.638 -10.701 667 HA VAL 92 HA VAL 92 -0.178 0.443 -10.194 668 HB VAL 92 HB VAL 92 0.064 -1.992 -11.956 669 1HG1 VAL 92 1HG1 VAL 92 1.835 0.372 -11.600 670 2HG1 VAL 92 2HG1 VAL 92 2.602 -1.214 -11.690 671 3HG1 VAL 92 3HG1 VAL 92 1.585 -0.650 -13.016 672 1HG2 VAL 92 1HG2 VAL 92 0.282 -1.631 -9.176 673 2HG2 VAL 92 2HG2 VAL 92 0.724 -3.058 -10.115 674 3HG2 VAL 92 3HG2 VAL 92 1.929 -1.814 -9.782 675 H ASN 93 H ASN 93 -1.743 -0.762 -13.176 676 HA ASN 93 HA ASN 93 -0.670 0.874 -14.992 677 1HB ASN 93 1HB ASN 93 -2.191 -0.154 -16.219 678 2HB ASN 93 2HB ASN 93 -3.012 -0.653 -14.763 679 2HD2 ASN 93 2HD2 ASN 93 -4.909 0.274 -14.213 680 1HD2 ASN 93 1HD2 ASN 93 -5.684 1.517 -15.129 681 H CYS 94 H CYS 94 -3.270 1.635 -12.768 682 HA CYS 94 HA CYS 94 -3.748 4.260 -13.636 683 1HB CYS 94 1HB CYS 94 -5.028 2.702 -11.917 684 2HB CYS 94 2HB CYS 94 -4.045 3.579 -10.746 685 H ALA 95 H ALA 95 -1.642 3.009 -11.033 686 HA ALA 95 HA ALA 95 -0.685 5.599 -10.342 687 1HB ALA 95 1HB ALA 95 -0.619 3.413 -8.968 688 2HB ALA 95 2HB ALA 95 0.929 3.173 -9.779 689 3HB ALA 95 3HB ALA 95 0.661 4.612 -8.795 690 H LYS 96 H LYS 96 0.467 3.115 -12.567 691 HA LYS 96 HA LYS 96 2.996 4.023 -13.131 692 1HB LYS 96 1HB LYS 96 1.749 2.025 -14.155 693 2HB LYS 96 2HB LYS 96 1.056 3.177 -15.288 694 1HG LYS 96 1HG LYS 96 3.274 3.757 -16.089 695 2HG LYS 96 2HG LYS 96 3.999 2.650 -14.920 696 1HD LYS 96 1HD LYS 96 3.921 1.155 -16.592 697 2HD LYS 96 2HD LYS 96 2.207 1.030 -16.191 698 1HE LYS 96 1HE LYS 96 1.923 3.016 -17.821 699 2HE LYS 96 2HE LYS 96 3.524 2.562 -18.404 700 1HZ LYS 96 1HZ LYS 96 2.497 0.230 -18.594 701 2HZ LYS 96 2HZ LYS 96 1.008 1.032 -18.532 702 3HZ LYS 96 3HZ LYS 96 2.106 1.382 -19.770 703 H LYS 97 H LYS 97 -0.126 5.125 -13.984 704 HA LYS 97 HA LYS 97 0.738 7.311 -15.686 705 1HB LYS 97 1HB LYS 97 -1.530 5.952 -15.740 706 2HB LYS 97 2HB LYS 97 -2.028 7.156 -14.561 707 1HG LYS 97 1HG LYS 97 -1.151 8.858 -16.317 708 2HG LYS 97 2HG LYS 97 -1.321 7.505 -17.438 709 1HD LYS 97 1HD LYS 97 -3.625 7.946 -15.668 710 2HD LYS 97 2HD LYS 97 -3.307 9.251 -16.812 711 1HE LYS 97 1HE LYS 97 -4.804 7.745 -17.876 712 2HE LYS 97 2HE LYS 97 -3.223 7.511 -18.620 713 1HZ LYS 97 1HZ LYS 97 -3.858 5.810 -16.343 714 2HZ LYS 97 2HZ LYS 97 -4.721 5.509 -17.766 715 3HZ LYS 97 3HZ LYS 97 -3.030 5.442 -17.773 716 H ILE 98 H ILE 98 -0.322 6.804 -12.379 717 HA ILE 98 HA ILE 98 -0.648 9.479 -11.635 718 HB ILE 98 HB ILE 98 0.122 7.108 -9.959 719 1HG1 ILE 98 1HG1 ILE 98 -2.512 8.593 -10.144 720 2HG1 ILE 98 2HG1 ILE 98 -2.147 7.155 -11.093 721 1HG2 ILE 98 1HG2 ILE 98 -0.219 9.971 -9.265 722 2HG2 ILE 98 2HG2 ILE 98 -0.889 8.776 -8.155 723 3HG2 ILE 98 3HG2 ILE 98 0.830 8.748 -8.548 724 1HD1 ILE 98 1HD1 ILE 98 -1.614 6.684 -8.309 725 2HD1 ILE 98 2HD1 ILE 98 -3.260 7.272 -8.544 726 3HD1 ILE 98 3HD1 ILE 98 -2.705 5.838 -9.406 727 H VAL 99 H VAL 99 2.142 7.339 -11.333 728 HA VAL 99 HA VAL 99 3.896 9.318 -10.306 729 HB VAL 99 HB VAL 99 4.139 6.802 -10.058 730 1HG1 VAL 99 1HG1 VAL 99 4.162 6.839 -12.814 731 2HG1 VAL 99 2HG1 VAL 99 5.858 6.601 -12.393 732 3HG1 VAL 99 3HG1 VAL 99 4.636 5.483 -11.788 733 1HG2 VAL 99 1HG2 VAL 99 6.270 8.773 -10.611 734 2HG2 VAL 99 2HG2 VAL 99 5.942 7.830 -9.156 735 3HG2 VAL 99 3HG2 VAL 99 6.756 7.080 -10.529 736 H SER 100 H SER 100 2.952 8.344 -13.520 737 HA SER 100 HA SER 100 5.187 9.695 -14.782 738 1HB SER 100 1HB SER 100 2.841 8.104 -15.724 739 2HB SER 100 2HB SER 100 3.577 9.242 -16.854 740 HG SER 100 HG SER 100 5.395 7.703 -15.500 741 H ASP 101 H ASP 101 2.317 10.585 -13.369 742 HA ASP 101 HA ASP 101 1.620 12.745 -15.150 743 1HB ASP 101 1HB ASP 101 -0.002 11.427 -13.676 744 2HB ASP 101 2HB ASP 101 0.622 12.375 -12.329 745 H GLY 102 H GLY 102 4.056 12.334 -12.936 746 1HA GLY 102 1HA GLY 102 4.107 15.221 -12.304 747 2HA GLY 102 2HA GLY 102 5.530 14.368 -12.879 748 H ASN 103 H ASN 103 3.097 13.515 -10.418 749 HA ASN 103 HA ASN 103 5.063 13.820 -8.307 750 1HB ASN 103 1HB ASN 103 2.216 12.820 -8.108 751 2HB ASN 103 2HB ASN 103 3.238 13.366 -6.781 752 2HD2 ASN 103 2HD2 ASN 103 4.203 15.655 -7.314 753 1HD2 ASN 103 1HD2 ASN 103 3.022 16.823 -7.786 754 H GLY 104 H GLY 104 6.523 12.236 -8.078 755 1HA GLY 104 1HA GLY 104 7.238 9.997 -8.693 756 2HA GLY 104 2HA GLY 104 5.592 9.460 -8.410 757 H MET 105 H MET 105 4.942 8.908 -6.394 758 HA MET 105 HA MET 105 5.337 7.801 -4.416 759 1HB MET 105 1HB MET 105 8.049 9.142 -4.364 760 2HB MET 105 2HB MET 105 7.481 7.905 -3.254 761 1HG MET 105 1HG MET 105 8.548 7.661 -5.975 762 2HG MET 105 2HG MET 105 8.626 6.543 -4.617 763 1HE MET 105 1HE MET 105 5.987 5.834 -3.705 764 2HE MET 105 2HE MET 105 5.252 4.667 -4.805 765 3HE MET 105 3HE MET 105 6.934 4.475 -4.309 766 H ASN 106 H ASN 106 5.207 10.976 -5.196 767 HA ASN 106 HA ASN 106 5.175 12.032 -2.500 768 1HB ASN 106 1HB ASN 106 5.148 13.110 -5.262 769 2HB ASN 106 2HB ASN 106 4.341 14.066 -4.035 770 2HD2 ASN 106 2HD2 ASN 106 7.146 13.697 -5.605 771 1HD2 ASN 106 1HD2 ASN 106 8.249 14.318 -4.429 772 H ALA 107 H ALA 107 2.961 11.220 -5.109 773 HA ALA 107 HA ALA 107 0.631 12.396 -4.066 774 1HB ALA 107 1HB ALA 107 1.312 10.714 -6.258 775 2HB ALA 107 2HB ALA 107 -0.144 11.680 -6.021 776 3HB ALA 107 3HB ALA 107 -0.083 10.018 -5.434 777 H TRP 108 H TRP 108 2.456 9.743 -3.027 778 HA TRP 108 HA TRP 108 0.229 8.699 -1.418 779 1HB TRP 108 1HB TRP 108 2.876 7.406 -2.117 780 2HB TRP 108 2HB TRP 108 1.603 6.668 -1.147 781 HD1 TRP 108 HD1 TRP 108 -0.653 5.929 -2.444 782 HE1 TRP 108 HE1 TRP 108 -1.081 5.362 -4.919 783 HE3 TRP 108 HE3 TRP 108 3.557 7.983 -4.488 784 HZ2 TRP 108 HZ2 TRP 108 0.197 5.739 -7.414 785 HZ3 TRP 108 HZ3 TRP 108 3.880 7.838 -6.922 786 HH2 TRP 108 HH2 TRP 108 2.235 6.739 -8.352 787 H VAL 109 H VAL 109 0.159 9.312 0.606 788 HA VAL 109 HA VAL 109 2.224 10.801 1.857 789 HB VAL 109 HB VAL 109 0.197 9.709 3.586 790 1HG1 VAL 109 1HG1 VAL 109 1.829 11.642 3.981 791 2HG1 VAL 109 2HG1 VAL 109 0.717 12.590 2.994 792 3HG1 VAL 109 3HG1 VAL 109 0.155 11.854 4.495 793 1HG2 VAL 109 1HG2 VAL 109 -0.532 11.005 1.036 794 2HG2 VAL 109 2HG2 VAL 109 -1.416 9.815 1.989 795 3HG2 VAL 109 3HG2 VAL 109 -1.415 11.510 2.476 796 H ALA 110 H ALA 110 1.465 7.420 1.882 797 HA ALA 110 HA ALA 110 2.686 6.822 4.378 798 1HB ALA 110 1HB ALA 110 2.499 4.868 2.108 799 2HB ALA 110 2HB ALA 110 2.392 4.568 3.843 800 3HB ALA 110 3HB ALA 110 1.065 5.371 3.004 801 H TRP 111 H TRP 111 3.884 7.417 1.200 802 HA TRP 111 HA TRP 111 6.470 6.243 1.761 803 1HB TRP 111 1HB TRP 111 5.641 6.159 -0.533 804 2HB TRP 111 2HB TRP 111 5.544 7.911 -0.587 805 HD1 TRP 111 HD1 TRP 111 7.996 5.042 -0.903 806 HE1 TRP 111 HE1 TRP 111 10.275 5.953 -1.679 807 HE3 TRP 111 HE3 TRP 111 7.072 10.049 -0.440 808 HZ2 TRP 111 HZ2 TRP 111 11.516 8.460 -2.046 809 HZ3 TRP 111 HZ3 TRP 111 8.858 11.637 -1.024 810 HH2 TRP 111 HH2 TRP 111 11.035 10.857 -1.810 811 H ARG 112 H ARG 112 4.951 9.445 1.734 812 HA ARG 112 HA ARG 112 7.490 10.711 2.385 813 1HB ARG 112 1HB ARG 112 4.833 11.578 1.469 814 2HB ARG 112 2HB ARG 112 5.615 12.654 2.617 815 1HG ARG 112 1HG ARG 112 7.655 12.216 0.914 816 2HG ARG 112 2HG ARG 112 6.283 12.070 -0.187 817 1HD ARG 112 1HD ARG 112 6.975 14.352 -0.193 818 2HD ARG 112 2HD ARG 112 5.451 14.258 0.689 819 HE ARG 112 HE ARG 112 7.490 14.044 2.560 820 1HH1 ARG 112 1HH1 ARG 112 6.317 16.391 0.267 821 2HH1 ARG 112 2HH1 ARG 112 6.843 17.754 1.197 822 1HH2 ARG 112 1HH2 ARG 112 8.186 15.833 3.792 823 2HH2 ARG 112 2HH2 ARG 112 7.906 17.437 3.201 824 H ASN 113 H ASN 113 6.813 8.901 4.266 825 HA ASN 113 HA ASN 113 6.481 10.566 6.599 826 1HB ASN 113 1HB ASN 113 4.292 8.955 5.598 827 2HB ASN 113 2HB ASN 113 4.775 8.429 7.208 828 2HD2 ASN 113 2HD2 ASN 113 5.267 10.423 8.681 829 1HD2 ASN 113 1HD2 ASN 113 4.022 11.621 8.697 830 H ARG 114 H ARG 114 6.390 7.140 5.649 831 HA ARG 114 HA ARG 114 8.388 6.590 7.736 832 1HB ARG 114 1HB ARG 114 6.107 5.060 6.620 833 2HB ARG 114 2HB ARG 114 7.526 4.143 7.096 834 1HG ARG 114 1HG ARG 114 6.230 6.116 8.944 835 2HG ARG 114 2HG ARG 114 5.675 4.445 8.820 836 1HD ARG 114 1HD ARG 114 7.175 4.268 10.546 837 2HD ARG 114 2HD ARG 114 8.214 3.900 9.171 838 HE ARG 114 HE ARG 114 8.212 6.683 9.781 839 1HH1 ARG 114 1HH1 ARG 114 9.530 3.609 10.758 840 2HH1 ARG 114 2HH1 ARG 114 10.958 4.299 11.454 841 1HH2 ARG 114 1HH2 ARG 114 10.089 7.599 10.695 842 2HH2 ARG 114 2HH2 ARG 114 11.276 6.566 11.419 843 H CYS 115 H CYS 115 8.436 7.250 4.585 844 HA CYS 115 HA CYS 115 10.469 5.199 4.001 845 1HB CYS 115 1HB CYS 115 8.802 6.739 2.010 846 2HB CYS 115 2HB CYS 115 9.969 5.476 1.636 847 H LYS 116 H LYS 116 9.630 8.606 3.310 848 HA LYS 116 HA LYS 116 12.181 9.268 2.291 849 1HB LYS 116 1HB LYS 116 10.109 10.579 1.874 850 2HB LYS 116 2HB LYS 116 10.136 11.106 3.551 851 1HG LYS 116 1HG LYS 116 11.084 12.885 2.416 852 2HG LYS 116 2HG LYS 116 12.487 11.996 3.011 853 1HD LYS 116 1HD LYS 116 12.789 10.956 0.847 854 2HD LYS 116 2HD LYS 116 11.320 11.724 0.242 855 1HE LYS 116 1HE LYS 116 13.171 12.987 -0.566 856 2HE LYS 116 2HE LYS 116 12.394 13.937 0.699 857 1HZ LYS 116 1HZ LYS 116 14.822 12.265 1.068 858 2HZ LYS 116 2HZ LYS 116 14.816 13.947 0.887 859 3HZ LYS 116 3HZ LYS 116 14.095 13.241 2.244 860 H GLY 117 H GLY 117 13.657 8.376 3.811 861 1HA GLY 117 1HA GLY 117 13.720 9.627 6.460 862 2HA GLY 117 2HA GLY 117 15.100 9.874 5.401 863 H THR 118 H THR 118 13.810 6.858 4.781 864 HA THR 118 HA THR 118 15.654 5.579 6.691 865 HB THR 118 HB THR 118 14.236 3.567 6.550 866 HG1 THR 118 HG1 THR 118 12.576 3.472 5.207 867 1HG2 THR 118 1HG2 THR 118 13.101 6.168 7.484 868 2HG2 THR 118 2HG2 THR 118 12.112 4.711 7.578 869 3HG2 THR 118 3HG2 THR 118 13.658 4.783 8.424 870 H ASP 119 H ASP 119 15.135 2.992 5.254 871 HA ASP 119 HA ASP 119 16.643 3.496 2.798 872 1HB ASP 119 1HB ASP 119 17.929 2.617 4.879 873 2HB ASP 119 2HB ASP 119 17.252 1.096 4.344 874 H VAL 120 H VAL 120 15.097 3.064 1.332 875 HA VAL 120 HA VAL 120 13.259 0.896 1.580 876 HB VAL 120 HB VAL 120 12.671 1.461 -0.794 877 1HG1 VAL 120 1HG1 VAL 120 12.250 2.953 1.580 878 2HG1 VAL 120 2HG1 VAL 120 12.397 4.091 0.241 879 3HG1 VAL 120 3HG1 VAL 120 11.195 2.803 0.175 880 1HG2 VAL 120 1HG2 VAL 120 15.176 2.606 -0.853 881 2HG2 VAL 120 2HG2 VAL 120 13.911 2.819 -2.063 882 3HG2 VAL 120 3HG2 VAL 120 14.097 3.997 -0.765 883 H GLN 121 H GLN 121 16.345 1.426 0.019 884 HA GLN 121 HA GLN 121 16.357 -0.780 -1.716 885 1HB GLN 121 1HB GLN 121 18.058 1.205 -1.419 886 2HB GLN 121 2HB GLN 121 18.851 0.100 -0.305 887 1HG GLN 121 1HG GLN 121 19.354 -1.429 -1.982 888 2HG GLN 121 2HG GLN 121 18.157 -0.753 -3.086 889 2HE2 GLN 121 2HE2 GLN 121 21.314 -1.094 -2.719 890 1HE2 GLN 121 1HE2 GLN 121 21.895 0.355 -3.459 891 H ALA 122 H ALA 122 16.619 -0.487 1.685 892 HA ALA 122 HA ALA 122 17.693 -3.166 2.055 893 1HB ALA 122 1HB ALA 122 18.577 -1.654 3.613 894 2HB ALA 122 2HB ALA 122 17.357 -2.549 4.518 895 3HB ALA 122 3HB ALA 122 17.003 -0.924 3.931 896 H TRP 123 H TRP 123 14.672 -1.530 1.879 897 HA TRP 123 HA TRP 123 13.087 -3.225 3.484 898 1HB TRP 123 1HB TRP 123 12.563 -1.306 1.272 899 2HB TRP 123 2HB TRP 123 11.295 -2.468 1.648 900 HD1 TRP 123 HD1 TRP 123 11.623 0.878 2.250 901 HE1 TRP 123 HE1 TRP 123 10.850 1.646 4.582 902 HE3 TRP 123 HE3 TRP 123 11.696 -3.600 4.687 903 HZ2 TRP 123 HZ2 TRP 123 10.350 0.472 7.089 904 HZ3 TRP 123 HZ3 TRP 123 11.059 -3.700 7.041 905 HH2 TRP 123 HH2 TRP 123 10.392 -1.682 8.231 906 H ILE 124 H ILE 124 14.659 -3.783 0.521 907 HA ILE 124 HA ILE 124 13.120 -6.270 0.149 908 HB ILE 124 HB ILE 124 13.720 -6.106 -2.288 909 1HG1 ILE 124 1HG1 ILE 124 13.900 -3.277 -2.474 910 2HG1 ILE 124 2HG1 ILE 124 15.131 -3.806 -1.333 911 1HG2 ILE 124 1HG2 ILE 124 11.498 -5.474 -1.199 912 2HG2 ILE 124 2HG2 ILE 124 12.000 -3.801 -1.437 913 3HG2 ILE 124 3HG2 ILE 124 11.808 -4.869 -2.826 914 1HD1 ILE 124 1HD1 ILE 124 14.799 -5.032 -4.053 915 2HD1 ILE 124 2HD1 ILE 124 15.840 -3.643 -3.738 916 3HD1 ILE 124 3HD1 ILE 124 16.162 -5.185 -2.944 917 H ARG 125 H ARG 125 15.789 -5.338 1.432 918 HA ARG 125 HA ARG 125 17.887 -6.575 0.005 919 1HB ARG 125 1HB ARG 125 17.778 -4.971 2.179 920 2HB ARG 125 2HB ARG 125 18.074 -6.520 2.957 921 1HG ARG 125 1HG ARG 125 19.964 -6.716 1.152 922 2HG ARG 125 2HG ARG 125 19.812 -4.959 1.116 923 1HD ARG 125 1HD ARG 125 21.519 -5.541 2.696 924 2HD ARG 125 2HD ARG 125 20.117 -4.940 3.582 925 HE ARG 125 HE ARG 125 19.601 -7.453 3.817 926 1HH1 ARG 125 1HH1 ARG 125 22.784 -6.034 3.786 927 2HH1 ARG 125 2HH1 ARG 125 23.486 -7.273 4.771 928 1HH2 ARG 125 1HH2 ARG 125 20.519 -9.090 5.114 929 2HH2 ARG 125 2HH2 ARG 125 22.200 -9.010 5.525 930 H GLY 126 H GLY 126 17.528 -8.648 -0.634 931 1HA GLY 126 1HA GLY 126 17.119 -10.621 1.528 932 2HA GLY 126 2HA GLY 126 18.124 -10.910 0.116 933 H CYS 127 H CYS 127 15.454 -9.212 -0.871 934 HA CYS 127 HA CYS 127 13.502 -11.239 -0.983 935 1HB CYS 127 1HB CYS 127 13.843 -8.575 -2.100 936 2HB CYS 127 2HB CYS 127 12.709 -9.613 -2.938 937 H ARG 128 H ARG 128 13.311 -12.927 -2.301 938 HA ARG 128 HA ARG 128 15.248 -13.347 -4.387 939 1HB ARG 128 1HB ARG 128 12.858 -15.036 -3.630 940 2HB ARG 128 2HB ARG 128 14.205 -15.534 -4.643 941 1HG ARG 128 1HG ARG 128 15.612 -15.817 -2.879 942 2HG ARG 128 2HG ARG 128 14.820 -14.577 -1.905 943 1HD ARG 128 1HD ARG 128 12.951 -16.663 -2.373 944 2HD ARG 128 2HD ARG 128 14.461 -17.395 -1.832 945 HE ARG 128 HE ARG 128 13.598 -15.149 -0.246 946 1HH1 ARG 128 1HH1 ARG 128 13.407 -18.598 -0.704 947 2HH1 ARG 128 2HH1 ARG 128 12.971 -18.923 0.941 948 1HH2 ARG 128 1HH2 ARG 128 13.024 -15.566 1.921 949 2HH2 ARG 128 2HH2 ARG 128 12.752 -17.199 2.432 950 H LEU 129 H LEU 129 14.841 -11.822 -5.974 951 HA LEU 129 HA LEU 129 12.661 -12.478 -7.762 952 1HB LEU 129 1HB LEU 129 11.678 -10.317 -7.852 953 2HB LEU 129 2HB LEU 129 11.728 -10.795 -6.166 954 HG LEU 129 HG LEU 129 14.094 -9.390 -6.509 955 1HD1 LEU 129 1HD1 LEU 129 12.303 -8.617 -8.581 956 2HD1 LEU 129 2HD1 LEU 129 12.444 -7.289 -7.428 957 3HD1 LEU 129 3HD1 LEU 129 13.890 -7.957 -8.186 958 1HD2 LEU 129 1HD2 LEU 129 11.488 -9.004 -5.202 959 2HD2 LEU 129 2HD2 LEU 129 13.121 -8.890 -4.544 960 3HD2 LEU 129 3HD2 LEU 129 12.438 -7.538 -5.446 No H/Q in entry = 960 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -6.541 -10.241 2.768 2 H2 LYS 1 H2 LYS 1 -7.747 -9.832 1.655 3 H3 LYS 1 H3 LYS 1 -7.638 -11.416 2.238 4 HA LYS 1 HA LYS 1 -5.730 -11.890 1.039 5 1HB LYS 1 1HB LYS 1 -8.028 -10.809 -0.227 6 2HB LYS 1 2HB LYS 1 -6.632 -10.272 -1.152 7 1HG LYS 1 1HG LYS 1 -6.783 -13.136 -0.378 8 2HG LYS 1 2HG LYS 1 -7.843 -12.554 -1.665 9 1HD LYS 1 1HD LYS 1 -6.061 -11.984 -3.045 10 2HD LYS 1 2HD LYS 1 -4.918 -11.912 -1.702 11 1HE LYS 1 1HE LYS 1 -6.230 -14.452 -2.656 12 2HE LYS 1 2HE LYS 1 -4.653 -13.893 -3.215 13 1HZ LYS 1 1HZ LYS 1 -5.182 -14.201 -0.333 14 2HZ LYS 1 2HZ LYS 1 -4.775 -15.550 -1.271 15 3HZ LYS 1 3HZ LYS 1 -3.705 -14.246 -1.155 16 H VAL 2 H VAL 2 -4.053 -10.714 2.197 17 HA VAL 2 HA VAL 2 -3.210 -8.207 0.917 18 HB VAL 2 HB VAL 2 -2.408 -9.463 3.544 19 1HG1 VAL 2 1HG1 VAL 2 -0.714 -7.994 2.012 20 2HG1 VAL 2 2HG1 VAL 2 -1.500 -6.733 2.961 21 3HG1 VAL 2 3HG1 VAL 2 -0.666 -8.055 3.775 22 1HG2 VAL 2 1HG2 VAL 2 -4.528 -7.772 2.855 23 2HG2 VAL 2 2HG2 VAL 2 -3.970 -8.189 4.476 24 3HG2 VAL 2 3HG2 VAL 2 -3.342 -6.752 3.671 25 H PHE 3 H PHE 3 -1.243 -8.028 -0.132 26 HA PHE 3 HA PHE 3 0.051 -10.444 -0.966 27 1HB PHE 3 1HB PHE 3 0.718 -7.519 -1.369 28 2HB PHE 3 2HB PHE 3 1.680 -8.828 -2.037 29 HD1 PHE 3 HD1 PHE 3 -0.167 -10.683 -3.141 30 HD2 PHE 3 HD2 PHE 3 -0.413 -6.441 -3.000 31 HE1 PHE 3 HE1 PHE 3 -1.585 -10.699 -5.148 32 HE2 PHE 3 HE2 PHE 3 -1.832 -6.447 -4.999 33 HZ PHE 3 HZ PHE 3 -2.421 -8.578 -6.083 34 H GLY 4 H GLY 4 2.508 -10.539 -0.819 35 1HA GLY 4 1HA GLY 4 4.130 -11.144 0.773 36 2HA GLY 4 2HA GLY 4 3.254 -10.211 1.982 37 H ARG 5 H ARG 5 6.095 -10.111 1.447 38 HA ARG 5 HA ARG 5 6.293 -7.245 0.957 39 1HB ARG 5 1HB ARG 5 8.738 -7.696 1.672 40 2HB ARG 5 2HB ARG 5 7.476 -7.796 2.892 41 1HG ARG 5 1HG ARG 5 7.447 -10.304 2.389 42 2HG ARG 5 2HG ARG 5 8.983 -10.021 1.568 43 1HD ARG 5 1HD ARG 5 10.100 -9.663 3.501 44 2HD ARG 5 2HD ARG 5 8.729 -8.863 4.269 45 HE ARG 5 HE ARG 5 9.106 -11.777 4.073 46 1HH1 ARG 5 1HH1 ARG 5 7.651 -8.979 5.553 47 2HH1 ARG 5 2HH1 ARG 5 6.926 -9.878 6.843 48 1HH2 ARG 5 1HH2 ARG 5 8.156 -12.969 5.768 49 2HH2 ARG 5 2HH2 ARG 5 7.214 -12.146 6.967 50 H CYS 6 H CYS 6 8.025 -10.176 -0.121 51 HA CYS 6 HA CYS 6 9.070 -8.682 -2.369 52 1HB CYS 6 1HB CYS 6 9.414 -11.636 -2.018 53 2HB CYS 6 2HB CYS 6 10.471 -10.466 -2.801 54 H GLU 7 H GLU 7 6.665 -11.179 -1.747 55 HA GLU 7 HA GLU 7 6.137 -12.096 -4.286 56 1HB GLU 7 1HB GLU 7 4.549 -11.721 -1.836 57 2HB GLU 7 2HB GLU 7 3.594 -11.735 -3.312 58 1HG GLU 7 1HG GLU 7 4.866 -13.888 -3.877 59 2HG GLU 7 2HG GLU 7 5.325 -13.895 -2.176 60 H LEU 8 H LEU 8 4.828 -9.201 -2.738 61 HA LEU 8 HA LEU 8 3.500 -8.201 -5.017 62 1HB LEU 8 1HB LEU 8 2.964 -7.493 -2.730 63 2HB LEU 8 2HB LEU 8 4.543 -6.752 -2.579 64 HG LEU 8 HG LEU 8 2.430 -5.294 -3.083 65 1HD1 LEU 8 1HD1 LEU 8 5.141 -5.021 -4.333 66 2HD1 LEU 8 2HD1 LEU 8 3.911 -3.768 -4.487 67 3HD1 LEU 8 3HD1 LEU 8 4.502 -4.233 -2.892 68 1HD2 LEU 8 1HD2 LEU 8 2.077 -6.827 -5.200 69 2HD2 LEU 8 2HD2 LEU 8 1.688 -5.107 -5.233 70 3HD2 LEU 8 3HD2 LEU 8 3.204 -5.681 -5.926 71 H ALA 9 H ALA 9 6.764 -7.667 -3.676 72 HA ALA 9 HA ALA 9 7.507 -5.587 -5.416 73 1HB ALA 9 1HB ALA 9 9.123 -7.613 -3.914 74 2HB ALA 9 2HB ALA 9 8.875 -5.905 -3.550 75 3HB ALA 9 3HB ALA 9 9.868 -6.378 -4.930 76 H ALA 10 H ALA 10 8.149 -9.090 -5.711 77 HA ALA 10 HA ALA 10 9.494 -9.086 -8.110 78 1HB ALA 10 1HB ALA 10 9.190 -11.342 -8.130 79 2HB ALA 10 2HB ALA 10 7.477 -11.226 -7.723 80 3HB ALA 10 3HB ALA 10 8.698 -11.033 -6.464 81 H ALA 11 H ALA 11 6.040 -8.883 -7.449 82 HA ALA 11 HA ALA 11 5.185 -9.073 -10.123 83 1HB ALA 11 1HB ALA 11 3.923 -8.013 -7.636 84 2HB ALA 11 2HB ALA 11 3.491 -9.445 -8.572 85 3HB ALA 11 3HB ALA 11 3.123 -7.838 -9.200 86 H MET 12 H MET 12 6.194 -6.485 -8.124 87 HA MET 12 HA MET 12 5.477 -4.307 -9.765 88 1HB MET 12 1HB MET 12 7.959 -4.335 -8.074 89 2HB MET 12 2HB MET 12 6.931 -2.975 -8.456 90 1HG MET 12 1HG MET 12 5.998 -5.286 -6.803 91 2HG MET 12 2HG MET 12 6.773 -3.863 -6.114 92 1HE MET 12 1HE MET 12 6.017 -1.475 -6.838 93 2HE MET 12 2HE MET 12 5.323 -1.695 -8.442 94 3HE MET 12 3HE MET 12 4.341 -1.019 -7.143 95 H LYS 13 H LYS 13 8.539 -6.089 -9.489 96 HA LYS 13 HA LYS 13 10.046 -4.741 -11.362 97 1HB LYS 13 1HB LYS 13 10.650 -6.754 -9.824 98 2HB LYS 13 2HB LYS 13 10.150 -7.737 -11.194 99 1HG LYS 13 1HG LYS 13 11.793 -6.302 -12.554 100 2HG LYS 13 2HG LYS 13 12.450 -5.837 -10.983 101 1HD LYS 13 1HD LYS 13 13.033 -8.070 -10.461 102 2HD LYS 13 2HD LYS 13 12.081 -8.709 -11.802 103 1HE LYS 13 1HE LYS 13 14.317 -8.827 -12.519 104 2HE LYS 13 2HE LYS 13 13.641 -7.415 -13.331 105 1HZ LYS 13 1HZ LYS 13 15.051 -7.114 -10.761 106 2HZ LYS 13 2HZ LYS 13 15.929 -7.231 -12.203 107 3HZ LYS 13 3HZ LYS 13 14.818 -5.973 -11.990 108 H ARG 14 H ARG 14 7.880 -7.501 -11.878 109 HA ARG 14 HA ARG 14 8.213 -7.665 -14.661 110 1HB ARG 14 1HB ARG 14 7.133 -9.380 -13.126 111 2HB ARG 14 2HB ARG 14 5.692 -8.373 -13.158 112 1HG ARG 14 1HG ARG 14 5.349 -8.751 -15.452 113 2HG ARG 14 2HG ARG 14 6.970 -9.415 -15.665 114 1HD ARG 14 1HD ARG 14 5.215 -11.151 -15.654 115 2HD ARG 14 2HD ARG 14 6.393 -11.358 -14.358 116 HE ARG 14 HE ARG 14 4.730 -10.977 -12.823 117 1HH1 ARG 14 1HH1 ARG 14 3.609 -10.060 -15.992 118 2HH1 ARG 14 2HH1 ARG 14 1.968 -9.835 -15.487 119 1HH2 ARG 14 1HH2 ARG 14 2.572 -10.682 -12.150 120 2HH2 ARG 14 2HH2 ARG 14 1.378 -10.187 -13.303 121 H HIS 15 H HIS 15 6.029 -5.770 -12.624 122 HA HIS 15 HA HIS 15 4.502 -4.767 -14.806 123 1HB HIS 15 1HB HIS 15 4.633 -4.323 -11.873 124 2HB HIS 15 2HB HIS 15 3.920 -3.040 -12.846 125 HD1 HIS 15 HD1 HIS 15 2.499 -5.133 -10.789 126 HD2 HIS 15 HD2 HIS 15 2.293 -5.081 -14.938 127 HE1 HIS 15 HE1 HIS 15 0.368 -6.334 -11.370 128 HE2 HIS 15 HE2 HIS 15 0.307 -6.365 -13.889 129 H GLY 16 H GLY 16 7.662 -4.074 -13.924 130 1HA GLY 16 1HA GLY 16 7.685 -1.811 -15.624 131 2HA GLY 16 2HA GLY 16 9.050 -2.506 -14.782 132 H LEU 17 H LEU 17 7.582 -2.054 -12.076 133 HA LEU 17 HA LEU 17 7.611 0.853 -12.081 134 1HB LEU 17 1HB LEU 17 7.207 -0.793 -9.620 135 2HB LEU 17 2HB LEU 17 6.613 0.816 -9.971 136 HG LEU 17 HG LEU 17 5.458 -1.819 -10.620 137 1HD1 LEU 17 1HD1 LEU 17 4.750 0.340 -9.098 138 2HD1 LEU 17 2HD1 LEU 17 3.777 0.573 -10.551 139 3HD1 LEU 17 3HD1 LEU 17 3.652 -0.930 -9.637 140 1HD2 LEU 17 1HD2 LEU 17 5.651 0.369 -12.614 141 2HD2 LEU 17 2HD2 LEU 17 5.496 -1.371 -12.852 142 3HD2 LEU 17 3HD2 LEU 17 4.081 -0.410 -12.425 143 H ASP 18 H ASP 18 9.835 -1.466 -11.853 144 HA ASP 18 HA ASP 18 11.420 -0.462 -9.691 145 1HB ASP 18 1HB ASP 18 11.947 -2.665 -10.061 146 2HB ASP 18 2HB ASP 18 11.792 -2.528 -11.802 147 H ASN 19 H ASN 19 11.846 1.635 -9.925 148 HA ASN 19 HA ASN 19 12.906 3.531 -10.563 149 1HB ASN 19 1HB ASN 19 14.738 1.523 -11.016 150 2HB ASN 19 2HB ASN 19 14.670 2.329 -12.581 151 2HD2 ASN 19 2HD2 ASN 19 16.046 2.345 -9.552 152 1HD2 ASN 19 1HD2 ASN 19 16.713 3.938 -9.568 153 H TYR 20 H TYR 20 10.581 2.693 -11.906 154 HA TYR 20 HA TYR 20 10.785 3.186 -14.704 155 1HB TYR 20 1HB TYR 20 8.831 2.056 -13.607 156 2HB TYR 20 2HB TYR 20 8.387 3.600 -12.891 157 HD1 TYR 20 HD1 TYR 20 9.080 2.092 -16.241 158 HD2 TYR 20 HD2 TYR 20 6.830 4.910 -13.983 159 HE1 TYR 20 HE1 TYR 20 7.760 2.635 -18.243 160 HE2 TYR 20 HE2 TYR 20 5.503 5.460 -15.977 161 HH TYR 20 HH TYR 20 4.888 4.486 -18.106 162 H ARG 21 H ARG 21 9.672 5.215 -15.675 163 HA ARG 21 HA ARG 21 10.985 7.443 -15.495 164 1HB ARG 21 1HB ARG 21 8.285 6.873 -16.177 165 2HB ARG 21 2HB ARG 21 8.292 8.375 -15.262 166 1HG ARG 21 1HG ARG 21 9.237 9.525 -16.929 167 2HG ARG 21 2HG ARG 21 10.373 8.229 -17.308 168 1HD ARG 21 1HD ARG 21 7.459 8.090 -18.035 169 2HD ARG 21 2HD ARG 21 8.664 8.819 -19.096 170 HE ARG 21 HE ARG 21 9.168 6.099 -18.191 171 1HH1 ARG 21 1HH1 ARG 21 8.065 8.226 -20.720 172 2HH1 ARG 21 2HH1 ARG 21 8.247 7.043 -21.972 173 1HH2 ARG 21 1HH2 ARG 21 9.411 4.534 -19.833 174 2HH2 ARG 21 2HH2 ARG 21 9.012 4.945 -21.468 175 H GLY 22 H GLY 22 8.677 6.446 -13.058 176 1HA GLY 22 1HA GLY 22 8.138 7.332 -10.994 177 2HA GLY 22 2HA GLY 22 9.042 8.779 -11.414 178 H TYR 23 H TYR 23 9.069 5.816 -9.700 179 HA TYR 23 HA TYR 23 11.909 6.214 -9.067 180 1HB TYR 23 1HB TYR 23 9.596 5.989 -7.180 181 2HB TYR 23 2HB TYR 23 11.221 5.551 -6.664 182 HD1 TYR 23 HD1 TYR 23 9.407 8.353 -8.338 183 HD2 TYR 23 HD2 TYR 23 12.553 7.196 -5.720 184 HE1 TYR 23 HE1 TYR 23 9.883 10.718 -7.879 185 HE2 TYR 23 HE2 TYR 23 13.039 9.560 -5.253 186 HH TYR 23 HH TYR 23 11.077 11.968 -5.708 187 H SER 24 H SER 24 12.640 4.427 -7.448 188 HA SER 24 HA SER 24 12.520 1.985 -8.948 189 1HB SER 24 1HB SER 24 14.342 1.250 -7.568 190 2HB SER 24 2HB SER 24 14.634 2.934 -8.004 191 HG SER 24 HG SER 24 14.195 1.807 -5.546 192 H LEU 25 H LEU 25 12.405 -0.094 -7.847 193 HA LEU 25 HA LEU 25 9.984 -0.760 -6.896 194 1HB LEU 25 1HB LEU 25 12.643 -1.946 -6.864 195 2HB LEU 25 2HB LEU 25 11.630 -2.526 -5.555 196 HG LEU 25 HG LEU 25 10.510 -2.492 -8.309 197 1HD1 LEU 25 1HD1 LEU 25 12.918 -3.536 -8.155 198 2HD1 LEU 25 2HD1 LEU 25 12.044 -4.884 -7.427 199 3HD1 LEU 25 3HD1 LEU 25 11.633 -4.342 -9.054 200 1HD2 LEU 25 1HD2 LEU 25 10.142 -4.037 -5.775 201 2HD2 LEU 25 2HD2 LEU 25 8.946 -3.180 -6.747 202 3HD2 LEU 25 3HD2 LEU 25 9.611 -4.712 -7.314 203 H GLY 26 H GLY 26 12.794 -0.238 -4.735 204 1HA GLY 26 1HA GLY 26 12.873 0.638 -2.606 205 2HA GLY 26 2HA GLY 26 11.698 -0.627 -2.300 206 H ASN 27 H ASN 27 11.218 2.281 -4.255 207 HA ASN 27 HA ASN 27 9.866 3.742 -2.229 208 1HB ASN 27 1HB ASN 27 9.550 4.142 -5.201 209 2HB ASN 27 2HB ASN 27 9.369 5.341 -3.924 210 2HD2 ASN 27 2HD2 ASN 27 11.236 6.093 -2.847 211 1HD2 ASN 27 1HD2 ASN 27 12.792 5.993 -3.592 212 H TRP 28 H TRP 28 8.821 1.544 -4.746 213 HA TRP 28 HA TRP 28 6.028 2.042 -4.471 214 1HB TRP 28 1HB TRP 28 7.508 -0.299 -5.663 215 2HB TRP 28 2HB TRP 28 5.774 -0.011 -5.814 216 HD1 TRP 28 HD1 TRP 28 9.089 1.017 -7.238 217 HE1 TRP 28 HE1 TRP 28 8.727 2.691 -9.148 218 HE3 TRP 28 HE3 TRP 28 4.105 1.884 -6.597 219 HZ2 TRP 28 HZ2 TRP 28 6.594 4.174 -10.266 220 HZ3 TRP 28 HZ3 TRP 28 2.959 3.433 -8.124 221 HH2 TRP 28 HH2 TRP 28 4.182 4.560 -9.927 222 H VAL 29 H VAL 29 8.239 -0.424 -3.149 223 HA VAL 29 HA VAL 29 6.227 -1.947 -1.910 224 HB VAL 29 HB VAL 29 9.166 -1.713 -1.264 225 1HG1 VAL 29 1HG1 VAL 29 7.867 -2.642 0.605 226 2HG1 VAL 29 2HG1 VAL 29 7.220 -3.877 -0.475 227 3HG1 VAL 29 3HG1 VAL 29 8.946 -3.835 -0.117 228 1HG2 VAL 29 1HG2 VAL 29 7.654 -3.660 -3.001 229 2HG2 VAL 29 2HG2 VAL 29 8.800 -2.433 -3.540 230 3HG2 VAL 29 3HG2 VAL 29 9.360 -3.798 -2.573 231 H CYS 30 H CYS 30 8.474 0.481 -0.603 232 HA CYS 30 HA CYS 30 7.531 0.369 2.026 233 1HB CYS 30 1HB CYS 30 9.656 1.443 1.328 234 2HB CYS 30 2HB CYS 30 8.726 2.762 0.623 235 H ALA 31 H ALA 31 6.549 2.484 -0.678 236 HA ALA 31 HA ALA 31 4.734 4.044 0.790 237 1HB ALA 31 1HB ALA 31 4.833 3.375 -2.145 238 2HB ALA 31 2HB ALA 31 3.757 4.581 -1.438 239 3HB ALA 31 3HB ALA 31 5.505 4.797 -1.347 240 H ALA 32 H ALA 32 4.245 1.111 -1.152 241 HA ALA 32 HA ALA 32 1.442 0.990 -0.745 242 1HB ALA 32 1HB ALA 32 2.672 -0.120 -2.605 243 2HB ALA 32 2HB ALA 32 3.276 -1.296 -1.438 244 3HB ALA 32 3HB ALA 32 1.545 -1.177 -1.753 245 H LYS 33 H LYS 33 4.157 -0.708 0.820 246 HA LYS 33 HA LYS 33 2.824 -2.435 2.451 247 1HB LYS 33 1HB LYS 33 5.268 -2.324 2.254 248 2HB LYS 33 2HB LYS 33 5.273 -0.819 3.159 249 1HG LYS 33 1HG LYS 33 3.999 -2.340 4.931 250 2HG LYS 33 2HG LYS 33 4.914 -3.599 4.099 251 1HD LYS 33 1HD LYS 33 6.918 -1.960 4.422 252 2HD LYS 33 2HD LYS 33 5.903 -1.265 5.685 253 1HE LYS 33 1HE LYS 33 7.350 -2.901 6.678 254 2HE LYS 33 2HE LYS 33 5.701 -3.524 6.692 255 1HZ LYS 33 1HZ LYS 33 6.261 -4.790 4.664 256 2HZ LYS 33 2HZ LYS 33 7.865 -4.272 4.802 257 3HZ LYS 33 3HZ LYS 33 7.184 -5.250 6.003 258 H PHE 34 H PHE 34 3.800 0.870 3.386 259 HA PHE 34 HA PHE 34 2.284 0.725 5.781 260 1HB PHE 34 1HB PHE 34 3.976 2.705 4.497 261 2HB PHE 34 2HB PHE 34 2.785 3.341 5.613 262 HD1 PHE 34 HD1 PHE 34 2.812 2.549 7.982 263 HD2 PHE 34 HD2 PHE 34 5.933 1.632 5.237 264 HE1 PHE 34 HE1 PHE 34 4.296 1.986 9.862 265 HE2 PHE 34 HE2 PHE 34 7.423 1.067 7.113 266 HZ PHE 34 HZ PHE 34 6.604 1.243 9.429 267 H GLU 35 H GLU 35 1.534 1.641 2.570 268 HA GLU 35 HA GLU 35 -0.553 3.452 3.072 269 1HB GLU 35 1HB GLU 35 0.617 2.070 0.838 270 2HB GLU 35 2HB GLU 35 -1.135 2.018 0.720 271 1HG GLU 35 1HG GLU 35 -1.322 4.326 0.583 272 2HG GLU 35 2HG GLU 35 0.280 4.592 1.274 273 H SER 36 H SER 36 -0.676 0.004 2.223 274 HA SER 36 HA SER 36 -3.303 -0.163 3.560 275 1HB SER 36 1HB SER 36 -3.879 -1.837 1.709 276 2HB SER 36 2HB SER 36 -3.794 -0.143 1.231 277 HG SER 36 HG SER 36 -1.369 -1.216 1.005 278 H ASN 37 H ASN 37 -0.277 -1.157 3.900 279 HA ASN 37 HA ASN 37 0.744 -2.941 4.908 280 1HB ASN 37 1HB ASN 37 -2.120 -3.510 5.696 281 2HB ASN 37 2HB ASN 37 -0.769 -4.499 6.240 282 2HD2 ASN 37 2HD2 ASN 37 -0.746 -4.042 8.356 283 1HD2 ASN 37 1HD2 ASN 37 -0.512 -2.464 9.018 284 H PHE 38 H PHE 38 -0.198 -2.971 2.177 285 HA PHE 38 HA PHE 38 -0.091 -4.240 0.362 286 1HB PHE 38 1HB PHE 38 0.749 -6.339 2.355 287 2HB PHE 38 2HB PHE 38 0.632 -6.658 0.627 288 HD1 PHE 38 HD1 PHE 38 1.681 -4.368 -0.668 289 HD2 PHE 38 HD2 PHE 38 2.965 -6.167 2.967 290 HE1 PHE 38 HE1 PHE 38 3.924 -3.421 -1.003 291 HE2 PHE 38 HE2 PHE 38 5.213 -5.219 2.641 292 HZ PHE 38 HZ PHE 38 5.697 -3.851 0.652 293 H ASN 39 H ASN 39 -2.527 -3.969 2.114 294 HA ASN 39 HA ASN 39 -4.029 -6.366 1.510 295 1HB ASN 39 1HB ASN 39 -4.420 -5.001 3.585 296 2HB ASN 39 2HB ASN 39 -5.062 -3.725 2.558 297 2HD2 ASN 39 2HD2 ASN 39 -5.550 -7.085 1.819 298 1HD2 ASN 39 1HD2 ASN 39 -7.237 -7.130 2.190 299 H THR 40 H THR 40 -4.611 -6.704 -0.500 300 HA THR 40 HA THR 40 -4.746 -4.689 -2.484 301 HB THR 40 HB THR 40 -5.048 -6.392 -3.986 302 HG1 THR 40 HG1 THR 40 -7.062 -7.138 -3.538 303 1HG2 THR 40 1HG2 THR 40 -3.350 -7.010 -1.971 304 2HG2 THR 40 2HG2 THR 40 -4.403 -8.425 -1.966 305 3HG2 THR 40 3HG2 THR 40 -3.542 -7.972 -3.437 306 H GLN 41 H GLN 41 -6.859 -5.741 -0.117 307 HA GLN 41 HA GLN 41 -9.211 -4.676 -1.512 308 1HB GLN 41 1HB GLN 41 -8.745 -6.849 0.436 309 2HB GLN 41 2HB GLN 41 -10.222 -5.940 0.630 310 1HG GLN 41 1HG GLN 41 -9.480 -7.029 -2.042 311 2HG GLN 41 2HG GLN 41 -10.203 -8.079 -0.825 312 2HE2 GLN 41 2HE2 GLN 41 -12.329 -8.192 -0.799 313 1HE2 GLN 41 1HE2 GLN 41 -13.417 -7.037 -1.484 314 H ALA 42 H ALA 42 -6.924 -3.595 0.512 315 HA ALA 42 HA ALA 42 -8.356 -2.527 2.690 316 1HB ALA 42 1HB ALA 42 -5.668 -2.420 1.678 317 2HB ALA 42 2HB ALA 42 -6.258 -2.236 3.330 318 3HB ALA 42 3HB ALA 42 -6.189 -0.837 2.258 319 H THR 43 H THR 43 -9.518 -0.779 2.960 320 HA THR 43 HA THR 43 -9.617 1.245 0.818 321 HB THR 43 HB THR 43 -11.914 1.399 0.932 322 HG1 THR 43 HG1 THR 43 -11.982 0.090 3.457 323 1HG2 THR 43 1HG2 THR 43 -10.920 -1.176 0.732 324 2HG2 THR 43 2HG2 THR 43 -12.240 -1.328 1.890 325 3HG2 THR 43 3HG2 THR 43 -12.544 -0.651 0.291 326 H ASN 44 H ASN 44 -9.346 3.356 1.494 327 HA ASN 44 HA ASN 44 -9.383 3.836 4.400 328 1HB ASN 44 1HB ASN 44 -7.097 3.778 2.934 329 2HB ASN 44 2HB ASN 44 -7.524 5.482 2.805 330 2HD2 ASN 44 2HD2 ASN 44 -8.426 6.265 5.092 331 1HD2 ASN 44 1HD2 ASN 44 -7.332 5.959 6.394 332 H ARG 45 H ARG 45 -11.194 4.996 4.669 333 HA ARG 45 HA ARG 45 -12.051 6.959 2.741 334 1HB ARG 45 1HB ARG 45 -13.119 6.174 5.455 335 2HB ARG 45 2HB ARG 45 -13.863 7.395 4.431 336 1HG ARG 45 1HG ARG 45 -13.394 4.867 3.058 337 2HG ARG 45 2HG ARG 45 -14.475 4.730 4.446 338 1HD ARG 45 1HD ARG 45 -15.670 6.777 3.460 339 2HD ARG 45 2HD ARG 45 -14.778 6.417 1.982 340 HE ARG 45 HE ARG 45 -15.884 4.068 2.418 341 1HH1 ARG 45 1HH1 ARG 45 -17.292 7.238 2.740 342 2HH1 ARG 45 2HH1 ARG 45 -18.896 6.706 2.361 343 1HH2 ARG 45 1HH2 ARG 45 -17.992 3.358 1.918 344 2HH2 ARG 45 2HH2 ARG 45 -19.293 4.500 1.895 345 H ASN 46 H ASN 46 -11.537 9.040 2.712 346 HA ASN 46 HA ASN 46 -10.143 10.169 5.040 347 1HB ASN 46 1HB ASN 46 -10.206 11.487 2.349 348 2HB ASN 46 2HB ASN 46 -8.975 11.581 3.602 349 2HD2 ASN 46 2HD2 ASN 46 -8.198 9.176 4.148 350 1HD2 ASN 46 1HD2 ASN 46 -7.648 8.314 2.755 351 H THR 47 H THR 47 -10.427 12.676 5.103 352 HA THR 47 HA THR 47 -13.240 13.137 5.569 353 HB THR 47 HB THR 47 -12.499 15.341 6.453 354 HG1 THR 47 HG1 THR 47 -10.074 14.449 5.359 355 1HG2 THR 47 1HG2 THR 47 -12.530 13.177 7.800 356 2HG2 THR 47 2HG2 THR 47 -10.779 13.154 7.596 357 3HG2 THR 47 3HG2 THR 47 -11.550 14.496 8.440 358 H ASP 48 H ASP 48 -11.066 13.661 3.017 359 HA ASP 48 HA ASP 48 -12.248 16.038 1.948 360 1HB ASP 48 1HB ASP 48 -10.957 15.375 -0.127 361 2HB ASP 48 2HB ASP 48 -9.995 15.612 1.329 362 H GLY 49 H GLY 49 -13.307 12.881 2.149 363 1HA GLY 49 1HA GLY 49 -15.264 13.371 0.004 364 2HA GLY 49 2HA GLY 49 -15.521 12.331 1.396 365 H SER 50 H SER 50 -12.568 12.266 -0.472 366 HA SER 50 HA SER 50 -13.398 10.038 -2.095 367 1HB SER 50 1HB SER 50 -10.749 10.056 -2.480 368 2HB SER 50 2HB SER 50 -11.827 11.197 -3.285 369 HG SER 50 HG SER 50 -9.814 11.747 -1.686 370 H THR 51 H THR 51 -11.684 8.160 -2.188 371 HA THR 51 HA THR 51 -10.952 7.282 0.509 372 HB THR 51 HB THR 51 -12.385 5.348 -1.278 373 HG1 THR 51 HG1 THR 51 -14.283 6.163 -0.766 374 1HG2 THR 51 1HG2 THR 51 -11.786 5.569 1.656 375 2HG2 THR 51 2HG2 THR 51 -13.044 4.489 1.053 376 3HG2 THR 51 3HG2 THR 51 -11.372 4.270 0.537 377 H ASP 52 H ASP 52 -9.698 5.188 0.425 378 HA ASP 52 HA ASP 52 -8.009 5.106 -1.991 379 1HB ASP 52 1HB ASP 52 -7.260 4.630 0.901 380 2HB ASP 52 2HB ASP 52 -6.188 4.329 -0.463 381 H TYR 53 H TYR 53 -9.252 3.514 -2.981 382 HA TYR 53 HA TYR 53 -9.514 0.967 -1.577 383 1HB TYR 53 1HB TYR 53 -10.591 1.783 -4.281 384 2HB TYR 53 2HB TYR 53 -10.956 0.293 -3.423 385 HD1 TYR 53 HD1 TYR 53 -11.996 0.638 -1.017 386 HD2 TYR 53 HD2 TYR 53 -12.079 3.536 -4.128 387 HE1 TYR 53 HE1 TYR 53 -13.938 1.710 0.043 388 HE2 TYR 53 HE2 TYR 53 -14.024 4.615 -3.079 389 HH TYR 53 HH TYR 53 -15.452 3.325 -0.092 390 H GLY 54 H GLY 54 -7.128 0.540 -1.698 391 1HA GLY 54 1HA GLY 54 -5.930 0.231 -4.261 392 2HA GLY 54 2HA GLY 54 -6.511 -1.312 -3.658 393 H ILE 55 H ILE 55 -4.213 -1.897 -3.787 394 HA ILE 55 HA ILE 55 -2.971 -1.766 -1.228 395 HB ILE 55 HB ILE 55 -2.601 -3.653 -2.849 396 1HG1 ILE 55 1HG1 ILE 55 -0.120 -2.162 -1.953 397 2HG1 ILE 55 2HG1 ILE 55 -1.050 -3.302 -0.987 398 1HG2 ILE 55 1HG2 ILE 55 -0.989 -1.576 -4.330 399 2HG2 ILE 55 2HG2 ILE 55 -0.958 -3.306 -4.665 400 3HG2 ILE 55 3HG2 ILE 55 -2.445 -2.389 -4.901 401 1HD1 ILE 55 1HD1 ILE 55 -0.441 -4.792 -3.185 402 2HD1 ILE 55 2HD1 ILE 55 0.992 -3.780 -3.010 403 3HD1 ILE 55 3HD1 ILE 55 0.459 -4.792 -1.668 404 H LEU 56 H LEU 56 -2.928 0.102 -4.103 405 HA LEU 56 HA LEU 56 -0.738 1.777 -3.087 406 1HB LEU 56 1HB LEU 56 -1.315 0.782 -5.704 407 2HB LEU 56 2HB LEU 56 -1.498 2.525 -5.735 408 HG LEU 56 HG LEU 56 0.736 2.159 -6.368 409 1HD1 LEU 56 1HD1 LEU 56 0.746 2.700 -3.401 410 2HD1 LEU 56 2HD1 LEU 56 2.089 3.008 -4.502 411 3HD1 LEU 56 3HD1 LEU 56 0.576 3.893 -4.689 412 1HD2 LEU 56 1HD2 LEU 56 0.586 -0.056 -4.411 413 2HD2 LEU 56 2HD2 LEU 56 1.338 0.006 -6.004 414 3HD2 LEU 56 3HD2 LEU 56 2.152 0.726 -4.616 415 H GLN 57 H GLN 57 -3.911 1.528 -2.825 416 HA GLN 57 HA GLN 57 -5.535 2.941 -2.151 417 1HB GLN 57 1HB GLN 57 -3.472 5.114 -2.538 418 2HB GLN 57 2HB GLN 57 -5.028 5.314 -1.744 419 1HG GLN 57 1HG GLN 57 -4.222 3.454 -0.165 420 2HG GLN 57 2HG GLN 57 -2.620 3.805 -0.811 421 2HE2 GLN 57 2HE2 GLN 57 -2.346 6.362 -0.967 422 1HE2 GLN 57 1HE2 GLN 57 -2.646 7.174 0.528 423 H ILE 58 H ILE 58 -6.465 2.214 -4.290 424 HA ILE 58 HA ILE 58 -6.280 4.176 -6.404 425 HB ILE 58 HB ILE 58 -7.697 1.531 -6.164 426 1HG1 ILE 58 1HG1 ILE 58 -6.217 0.950 -8.062 427 2HG1 ILE 58 2HG1 ILE 58 -5.525 2.566 -8.003 428 1HG2 ILE 58 1HG2 ILE 58 -7.937 3.576 -8.361 429 2HG2 ILE 58 2HG2 ILE 58 -8.358 1.875 -8.562 430 3HG2 ILE 58 3HG2 ILE 58 -9.232 2.868 -7.396 431 1HD1 ILE 58 1HD1 ILE 58 -5.357 0.498 -5.827 432 2HD1 ILE 58 2HD1 ILE 58 -4.072 0.932 -6.955 433 3HD1 ILE 58 3HD1 ILE 58 -4.649 2.113 -5.780 434 H ASN 59 H ASN 59 -7.246 6.013 -5.744 435 HA ASN 59 HA ASN 59 -9.650 6.172 -4.301 436 1HB ASN 59 1HB ASN 59 -8.012 8.023 -4.499 437 2HB ASN 59 2HB ASN 59 -8.447 8.207 -6.196 438 2HD2 ASN 59 2HD2 ASN 59 -8.717 10.420 -4.990 439 1HD2 ASN 59 1HD2 ASN 59 -10.340 10.778 -4.522 440 H SER 60 H SER 60 -11.354 5.029 -5.126 441 HA SER 60 HA SER 60 -11.951 4.799 -7.864 442 1HB SER 60 1HB SER 60 -13.816 3.588 -7.202 443 2HB SER 60 2HB SER 60 -12.766 3.409 -5.797 444 HG SER 60 HG SER 60 -15.149 4.195 -5.654 445 H ARG 61 H ARG 61 -12.358 7.438 -5.761 446 HA ARG 61 HA ARG 61 -14.529 8.546 -7.397 447 1HB ARG 61 1HB ARG 61 -14.456 8.502 -4.759 448 2HB ARG 61 2HB ARG 61 -13.452 9.929 -4.974 449 1HG ARG 61 1HG ARG 61 -15.616 10.386 -6.634 450 2HG ARG 61 2HG ARG 61 -16.320 9.625 -5.205 451 1HD ARG 61 1HD ARG 61 -15.208 11.270 -3.780 452 2HD ARG 61 2HD ARG 61 -14.493 12.025 -5.204 453 HE ARG 61 HE ARG 61 -17.274 11.963 -5.529 454 1HH1 ARG 61 1HH1 ARG 61 -14.862 13.508 -3.543 455 2HH1 ARG 61 2HH1 ARG 61 -15.811 14.931 -3.273 456 1HH2 ARG 61 1HH2 ARG 61 -18.529 13.834 -5.179 457 2HH2 ARG 61 2HH2 ARG 61 -17.895 15.116 -4.202 458 H TRP 62 H TRP 62 -11.674 8.284 -8.167 459 HA TRP 62 HA TRP 62 -11.382 10.920 -9.267 460 1HB TRP 62 1HB TRP 62 -10.059 10.346 -6.817 461 2HB TRP 62 2HB TRP 62 -8.836 10.479 -8.075 462 HD1 TRP 62 HD1 TRP 62 -11.357 12.728 -9.273 463 HE1 TRP 62 HE1 TRP 62 -10.939 15.153 -8.521 464 HE3 TRP 62 HE3 TRP 62 -7.965 11.852 -5.548 465 HZ2 TRP 62 HZ2 TRP 62 -9.380 16.515 -6.604 466 HZ3 TRP 62 HZ3 TRP 62 -7.059 13.772 -4.304 467 HH2 TRP 62 HH2 TRP 62 -7.753 16.055 -4.823 468 H TRP 63 H TRP 63 -10.637 7.584 -9.307 469 HA TRP 63 HA TRP 63 -9.029 8.039 -11.722 470 1HB TRP 63 1HB TRP 63 -8.385 6.058 -9.532 471 2HB TRP 63 2HB TRP 63 -7.585 6.113 -11.097 472 HD1 TRP 63 HD1 TRP 63 -6.819 7.030 -7.758 473 HE1 TRP 63 HE1 TRP 63 -5.177 9.010 -7.631 474 HE3 TRP 63 HE3 TRP 63 -7.317 8.788 -12.517 475 HZ2 TRP 63 HZ2 TRP 63 -4.220 11.055 -9.335 476 HZ3 TRP 63 HZ3 TRP 63 -6.035 10.759 -13.194 477 HH2 TRP 63 HH2 TRP 63 -4.507 11.874 -11.639 478 H CYS 64 H CYS 64 -11.575 6.269 -10.211 479 HA CYS 64 HA CYS 64 -11.835 4.742 -12.694 480 1HB CYS 64 1HB CYS 64 -11.839 2.654 -11.737 481 2HB CYS 64 2HB CYS 64 -10.702 3.459 -10.666 482 H ASN 65 H ASN 65 -13.902 3.909 -13.145 483 HA ASN 65 HA ASN 65 -16.031 5.460 -11.870 484 1HB ASN 65 1HB ASN 65 -15.693 5.325 -14.410 485 2HB ASN 65 2HB ASN 65 -16.312 3.681 -14.290 486 2HD2 ASN 65 2HD2 ASN 65 -18.458 3.389 -13.446 487 1HD2 ASN 65 1HD2 ASN 65 -19.636 4.635 -13.655 488 H ASP 66 H ASP 66 -16.767 4.479 -10.084 489 HA ASP 66 HA ASP 66 -17.164 1.574 -10.125 490 1HB ASP 66 1HB ASP 66 -17.186 1.637 -7.740 491 2HB ASP 66 2HB ASP 66 -15.838 2.637 -8.271 492 H GLY 67 H GLY 67 -18.897 4.493 -10.364 493 1HA GLY 67 1HA GLY 67 -21.375 3.118 -10.637 494 2HA GLY 67 2HA GLY 67 -21.142 4.856 -10.684 495 H ARG 68 H ARG 68 -19.924 3.338 -7.868 496 HA ARG 68 HA ARG 68 -22.405 3.628 -6.387 497 1HB ARG 68 1HB ARG 68 -19.660 2.767 -5.455 498 2HB ARG 68 2HB ARG 68 -21.136 2.694 -4.502 499 1HG ARG 68 1HG ARG 68 -21.782 0.779 -5.444 500 2HG ARG 68 2HG ARG 68 -21.354 1.328 -7.067 501 1HD ARG 68 1HD ARG 68 -19.971 -0.544 -6.555 502 2HD ARG 68 2HD ARG 68 -18.959 0.898 -6.487 503 HE ARG 68 HE ARG 68 -19.073 0.756 -4.066 504 1HH1 ARG 68 1HH1 ARG 68 -20.104 -2.049 -5.857 505 2HH1 ARG 68 2HH1 ARG 68 -19.846 -3.144 -4.539 506 1HH2 ARG 68 1HH2 ARG 68 -18.731 -0.678 -2.328 507 2HH2 ARG 68 2HH2 ARG 68 -19.067 -2.365 -2.533 508 H THR 69 H THR 69 -19.880 5.615 -7.273 509 HA THR 69 HA THR 69 -20.499 7.465 -5.072 510 HB THR 69 HB THR 69 -17.756 7.518 -6.246 511 HG1 THR 69 HG1 THR 69 -18.715 5.622 -4.356 512 1HG2 THR 69 1HG2 THR 69 -19.178 8.559 -3.910 513 2HG2 THR 69 2HG2 THR 69 -17.596 7.878 -3.533 514 3HG2 THR 69 3HG2 THR 69 -17.738 9.170 -4.724 515 HA PRO 70 HA PRO 70 -21.600 9.641 -8.952 516 1HB PRO 70 1HB PRO 70 -22.618 11.520 -6.884 517 2HB PRO 70 2HB PRO 70 -23.420 10.893 -8.327 518 1HG PRO 70 1HG PRO 70 -24.071 9.987 -5.909 519 2HG PRO 70 2HG PRO 70 -23.990 8.892 -7.302 520 1HD PRO 70 1HD PRO 70 -22.046 9.260 -5.063 521 2HD PRO 70 2HD PRO 70 -22.533 7.773 -5.903 522 H GLY 71 H GLY 71 -20.101 10.823 -9.944 523 1HA GLY 71 1HA GLY 71 -18.620 12.824 -8.348 524 2HA GLY 71 2HA GLY 71 -19.112 13.099 -10.012 525 H SER 72 H SER 72 -18.342 9.993 -10.104 526 HA SER 72 HA SER 72 -15.548 9.874 -9.874 527 1HB SER 72 1HB SER 72 -15.747 7.866 -11.372 528 2HB SER 72 2HB SER 72 -16.827 7.834 -9.978 529 HG SER 72 HG SER 72 -17.786 7.274 -12.065 530 H ARG 73 H ARG 73 -14.082 10.972 -10.979 531 HA ARG 73 HA ARG 73 -14.676 12.355 -13.393 532 1HB ARG 73 1HB ARG 73 -12.959 12.969 -11.581 533 2HB ARG 73 2HB ARG 73 -11.900 11.807 -12.368 534 1HG ARG 73 1HG ARG 73 -11.288 13.346 -13.830 535 2HG ARG 73 2HG ARG 73 -12.960 13.517 -14.367 536 1HD ARG 73 1HD ARG 73 -11.683 14.971 -12.052 537 2HD ARG 73 2HD ARG 73 -12.031 15.658 -13.638 538 HE ARG 73 HE ARG 73 -13.900 15.191 -11.499 539 1HH1 ARG 73 1HH1 ARG 73 -13.510 15.653 -14.930 540 2HH1 ARG 73 2HH1 ARG 73 -15.133 16.208 -15.170 541 1HH2 ARG 73 1HH2 ARG 73 -16.038 15.920 -11.806 542 2HH2 ARG 73 2HH2 ARG 73 -16.570 16.360 -13.394 543 H ASN 74 H ASN 74 -12.893 9.408 -12.621 544 HA ASN 74 HA ASN 74 -12.263 7.620 -13.892 545 1HB ASN 74 1HB ASN 74 -14.635 8.210 -14.944 546 2HB ASN 74 2HB ASN 74 -13.650 8.676 -16.326 547 2HD2 ASN 74 2HD2 ASN 74 -13.149 6.075 -13.991 548 1HD2 ASN 74 1HD2 ASN 74 -13.217 4.789 -15.142 549 H LEU 75 H LEU 75 -10.615 9.829 -13.650 550 HA LEU 75 HA LEU 75 -9.492 10.863 -15.996 551 1HB LEU 75 1HB LEU 75 -8.753 10.468 -13.169 552 2HB LEU 75 2HB LEU 75 -7.420 10.724 -14.272 553 HG LEU 75 HG LEU 75 -9.786 12.574 -13.848 554 1HD1 LEU 75 1HD1 LEU 75 -8.201 12.475 -11.951 555 2HD1 LEU 75 2HD1 LEU 75 -6.903 12.948 -13.047 556 3HD1 LEU 75 3HD1 LEU 75 -8.243 14.052 -12.738 557 1HD2 LEU 75 1HD2 LEU 75 -7.451 12.664 -15.721 558 2HD2 LEU 75 2HD2 LEU 75 -9.154 12.990 -16.039 559 3HD2 LEU 75 3HD2 LEU 75 -8.187 14.157 -15.138 560 H CYS 76 H CYS 76 -8.744 8.180 -14.002 561 HA CYS 76 HA CYS 76 -6.579 7.191 -15.603 562 1HB CYS 76 1HB CYS 76 -7.202 7.138 -13.013 563 2HB CYS 76 2HB CYS 76 -7.870 5.587 -13.493 564 H ASN 77 H ASN 77 -9.969 6.610 -15.135 565 HA ASN 77 HA ASN 77 -11.487 5.200 -16.097 566 1HB ASN 77 1HB ASN 77 -10.496 6.516 -18.091 567 2HB ASN 77 2HB ASN 77 -9.627 5.029 -18.461 568 2HD2 ASN 77 2HD2 ASN 77 -11.926 6.613 -19.704 569 1HD2 ASN 77 1HD2 ASN 77 -13.108 5.403 -20.051 570 H ILE 78 H ILE 78 -10.147 3.851 -14.337 571 HA ILE 78 HA ILE 78 -9.299 1.385 -15.654 572 HB ILE 78 HB ILE 78 -7.453 1.455 -14.436 573 1HG1 ILE 78 1HG1 ILE 78 -9.238 0.426 -12.686 574 2HG1 ILE 78 2HG1 ILE 78 -7.530 0.624 -12.324 575 1HG2 ILE 78 1HG2 ILE 78 -8.729 3.891 -13.237 576 2HG2 ILE 78 2HG2 ILE 78 -7.092 3.372 -12.835 577 3HG2 ILE 78 3HG2 ILE 78 -7.497 3.806 -14.496 578 1HD1 ILE 78 1HD1 ILE 78 -9.416 2.840 -11.705 579 2HD1 ILE 78 2HD1 ILE 78 -9.345 1.432 -10.645 580 3HD1 ILE 78 3HD1 ILE 78 -7.897 2.400 -10.923 581 HA PRO 79 HA PRO 79 -12.678 -0.504 -13.449 582 1HB PRO 79 1HB PRO 79 -12.011 -3.105 -13.656 583 2HB PRO 79 2HB PRO 79 -12.517 -2.170 -15.070 584 1HG PRO 79 1HG PRO 79 -9.776 -2.984 -14.216 585 2HG PRO 79 2HG PRO 79 -10.463 -2.890 -15.846 586 1HD PRO 79 1HD PRO 79 -8.823 -0.973 -14.689 587 2HD PRO 79 2HD PRO 79 -9.910 -0.691 -16.063 588 H CYS 80 H CYS 80 -12.637 -0.065 -11.282 589 HA CYS 80 HA CYS 80 -10.459 -0.497 -9.602 590 1HB CYS 80 1HB CYS 80 -13.309 0.205 -9.219 591 2HB CYS 80 2HB CYS 80 -12.453 -0.415 -7.810 592 H SER 81 H SER 81 -13.461 -2.450 -9.798 593 HA SER 81 HA SER 81 -12.743 -4.363 -7.926 594 1HB SER 81 1HB SER 81 -14.260 -5.884 -9.449 595 2HB SER 81 2HB SER 81 -14.956 -4.520 -8.576 596 HG SER 81 HG SER 81 -14.989 -3.343 -10.438 597 H ALA 82 H ALA 82 -11.621 -4.000 -11.209 598 HA ALA 82 HA ALA 82 -10.626 -6.675 -11.474 599 1HB ALA 82 1HB ALA 82 -10.932 -4.410 -13.156 600 2HB ALA 82 2HB ALA 82 -9.249 -4.933 -13.235 601 3HB ALA 82 3HB ALA 82 -10.545 -6.072 -13.602 602 H LEU 83 H LEU 83 -9.547 -3.951 -9.824 603 HA LEU 83 HA LEU 83 -6.739 -4.806 -9.891 604 1HB LEU 83 1HB LEU 83 -6.110 -2.696 -9.216 605 2HB LEU 83 2HB LEU 83 -7.531 -2.351 -10.181 606 HG LEU 83 HG LEU 83 -8.637 -2.598 -7.704 607 1HD1 LEU 83 1HD1 LEU 83 -5.884 -2.418 -7.214 608 2HD1 LEU 83 2HD1 LEU 83 -6.552 -0.827 -6.846 609 3HD1 LEU 83 3HD1 LEU 83 -7.199 -2.260 -6.050 610 1HD2 LEU 83 1HD2 LEU 83 -8.857 -0.798 -9.473 611 2HD2 LEU 83 2HD2 LEU 83 -8.951 -0.264 -7.795 612 3HD2 LEU 83 3HD2 LEU 83 -7.466 -0.022 -8.715 613 H LEU 84 H LEU 84 -9.470 -5.353 -8.109 614 HA LEU 84 HA LEU 84 -8.002 -5.647 -5.589 615 1HB LEU 84 1HB LEU 84 -10.969 -5.935 -5.902 616 2HB LEU 84 2HB LEU 84 -10.052 -5.515 -4.467 617 HG LEU 84 HG LEU 84 -10.271 -3.719 -6.878 618 1HD1 LEU 84 1HD1 LEU 84 -12.410 -4.325 -5.440 619 2HD1 LEU 84 2HD1 LEU 84 -11.713 -3.114 -4.364 620 3HD1 LEU 84 3HD1 LEU 84 -12.106 -2.692 -6.032 621 1HD2 LEU 84 1HD2 LEU 84 -8.405 -3.639 -4.965 622 2HD2 LEU 84 2HD2 LEU 84 -9.058 -2.191 -5.733 623 3HD2 LEU 84 3HD2 LEU 84 -9.674 -2.711 -4.165 624 H SER 85 H SER 85 -9.173 -7.514 -8.185 625 HA SER 85 HA SER 85 -9.791 -9.866 -6.693 626 1HB SER 85 1HB SER 85 -9.347 -9.356 -9.630 627 2HB SER 85 2HB SER 85 -9.662 -10.972 -9.000 628 HG SER 85 HG SER 85 -11.561 -9.823 -7.958 629 H SER 86 H SER 86 -7.358 -8.896 -5.937 630 HA SER 86 HA SER 86 -5.324 -9.657 -5.248 631 1HB SER 86 1HB SER 86 -5.727 -12.182 -6.846 632 2HB SER 86 2HB SER 86 -4.801 -11.955 -5.363 633 HG SER 86 HG SER 86 -7.079 -12.950 -5.365 634 H ASP 87 H ASP 87 -6.066 -8.403 -7.832 635 HA ASP 87 HA ASP 87 -3.624 -8.970 -9.361 636 1HB ASP 87 1HB ASP 87 -5.890 -9.546 -10.335 637 2HB ASP 87 2HB ASP 87 -6.222 -7.821 -10.354 638 H ILE 88 H ILE 88 -2.164 -7.336 -9.083 639 HA ILE 88 HA ILE 88 -3.106 -4.698 -8.345 640 HB ILE 88 HB ILE 88 -0.484 -4.296 -8.580 641 1HG1 ILE 88 1HG1 ILE 88 -0.489 -7.162 -7.694 642 2HG1 ILE 88 2HG1 ILE 88 -0.357 -6.772 -9.406 643 1HG2 ILE 88 1HG2 ILE 88 -2.239 -5.208 -6.427 644 2HG2 ILE 88 2HG2 ILE 88 -0.520 -5.464 -6.128 645 3HG2 ILE 88 3HG2 ILE 88 -1.121 -3.846 -6.487 646 1HD1 ILE 88 1HD1 ILE 88 1.476 -5.195 -7.841 647 2HD1 ILE 88 2HD1 ILE 88 1.701 -6.920 -7.554 648 3HD1 ILE 88 3HD1 ILE 88 1.790 -6.282 -9.195 649 H THR 89 H THR 89 -2.556 -6.327 -11.216 650 HA THR 89 HA THR 89 -1.199 -4.667 -12.888 651 HB THR 89 HB THR 89 -3.827 -5.820 -13.782 652 HG1 THR 89 HG1 THR 89 -1.989 -7.655 -14.114 653 1HG2 THR 89 1HG2 THR 89 -2.131 -4.485 -15.246 654 2HG2 THR 89 2HG2 THR 89 -1.207 -5.987 -15.218 655 3HG2 THR 89 3HG2 THR 89 -2.844 -5.971 -15.874 656 H ALA 90 H ALA 90 -4.722 -4.424 -12.321 657 HA ALA 90 HA ALA 90 -5.074 -2.087 -13.755 658 1HB ALA 90 1HB ALA 90 -6.672 -3.786 -12.093 659 2HB ALA 90 2HB ALA 90 -7.045 -2.089 -11.784 660 3HB ALA 90 3HB ALA 90 -7.164 -2.734 -13.421 661 H SER 91 H SER 91 -4.469 -2.583 -10.296 662 HA SER 91 HA SER 91 -4.722 0.112 -9.504 663 1HB SER 91 1HB SER 91 -2.799 -1.159 -7.849 664 2HB SER 91 2HB SER 91 -4.507 -0.877 -7.508 665 HG SER 91 HG SER 91 -3.660 -3.062 -9.081 666 H VAL 92 H VAL 92 -2.028 -1.732 -10.736 667 HA VAL 92 HA VAL 92 -0.134 0.334 -10.216 668 HB VAL 92 HB VAL 92 0.096 -2.099 -11.984 669 1HG1 VAL 92 1HG1 VAL 92 2.092 0.091 -11.402 670 2HG1 VAL 92 2HG1 VAL 92 2.555 -1.495 -12.020 671 3HG1 VAL 92 3HG1 VAL 92 1.505 -0.448 -12.975 672 1HG2 VAL 92 1HG2 VAL 92 1.147 -1.379 -9.255 673 2HG2 VAL 92 2HG2 VAL 92 0.095 -2.724 -9.697 674 3HG2 VAL 92 3HG2 VAL 92 1.785 -2.723 -10.203 675 H ASN 93 H ASN 93 -1.636 -0.855 -13.234 676 HA ASN 93 HA ASN 93 -0.544 0.799 -15.017 677 1HB ASN 93 1HB ASN 93 -2.037 -0.223 -16.283 678 2HB ASN 93 2HB ASN 93 -2.880 -0.739 -14.846 679 2HD2 ASN 93 2HD2 ASN 93 -4.792 0.174 -14.321 680 1HD2 ASN 93 1HD2 ASN 93 -5.557 1.421 -15.240 681 H CYS 94 H CYS 94 -3.111 1.537 -12.769 682 HA CYS 94 HA CYS 94 -3.631 4.160 -13.640 683 1HB CYS 94 1HB CYS 94 -4.936 2.629 -11.968 684 2HB CYS 94 2HB CYS 94 -3.899 3.385 -10.759 685 H ALA 95 H ALA 95 -1.523 2.930 -11.024 686 HA ALA 95 HA ALA 95 -0.556 5.531 -10.364 687 1HB ALA 95 1HB ALA 95 -0.508 3.683 -8.772 688 2HB ALA 95 2HB ALA 95 0.733 2.895 -9.748 689 3HB ALA 95 3HB ALA 95 1.067 4.447 -8.979 690 H LYS 96 H LYS 96 0.632 2.974 -12.499 691 HA LYS 96 HA LYS 96 3.154 3.879 -13.081 692 1HB LYS 96 1HB LYS 96 1.447 2.005 -14.180 693 2HB LYS 96 2HB LYS 96 1.624 3.169 -15.485 694 1HG LYS 96 1HG LYS 96 4.119 2.952 -15.174 695 2HG LYS 96 2HG LYS 96 3.776 1.580 -14.118 696 1HD LYS 96 1HD LYS 96 2.494 1.618 -16.797 697 2HD LYS 96 2HD LYS 96 4.226 1.282 -16.719 698 1HE LYS 96 1HE LYS 96 3.895 -0.619 -15.363 699 2HE LYS 96 2HE LYS 96 2.226 -0.173 -15.011 700 1HZ LYS 96 1HZ LYS 96 2.226 -0.374 -17.699 701 2HZ LYS 96 2HZ LYS 96 3.310 -1.598 -17.268 702 3HZ LYS 96 3HZ LYS 96 1.741 -1.601 -16.640 703 H LYS 97 H LYS 97 0.034 4.955 -13.970 704 HA LYS 97 HA LYS 97 0.907 7.102 -15.719 705 1HB LYS 97 1HB LYS 97 -1.394 5.711 -15.653 706 2HB LYS 97 2HB LYS 97 -1.864 7.077 -14.652 707 1HG LYS 97 1HG LYS 97 -1.606 8.601 -16.385 708 2HG LYS 97 2HG LYS 97 -0.583 7.508 -17.320 709 1HD LYS 97 1HD LYS 97 -2.356 6.693 -18.386 710 2HD LYS 97 2HD LYS 97 -3.134 6.286 -16.855 711 1HE LYS 97 1HE LYS 97 -4.558 7.774 -18.112 712 2HE LYS 97 2HE LYS 97 -3.944 8.610 -16.686 713 1HZ LYS 97 1HZ LYS 97 -2.387 8.892 -19.129 714 2HZ LYS 97 2HZ LYS 97 -3.891 9.666 -19.108 715 3HZ LYS 97 3HZ LYS 97 -2.734 10.032 -17.929 716 H ILE 98 H ILE 98 -0.234 6.680 -12.413 717 HA ILE 98 HA ILE 98 -0.564 9.362 -11.736 718 HB ILE 98 HB ILE 98 0.258 7.078 -9.959 719 1HG1 ILE 98 1HG1 ILE 98 -2.440 8.412 -10.299 720 2HG1 ILE 98 2HG1 ILE 98 -1.975 6.929 -11.125 721 1HG2 ILE 98 1HG2 ILE 98 -0.436 9.932 -9.367 722 2HG2 ILE 98 2HG2 ILE 98 -0.764 8.663 -8.187 723 3HG2 ILE 98 3HG2 ILE 98 0.887 8.953 -8.735 724 1HD1 ILE 98 1HD1 ILE 98 -1.466 6.587 -8.358 725 2HD1 ILE 98 2HD1 ILE 98 -3.093 7.242 -8.550 726 3HD1 ILE 98 3HD1 ILE 98 -2.637 5.753 -9.379 727 H VAL 99 H VAL 99 2.254 7.264 -11.359 728 HA VAL 99 HA VAL 99 3.961 9.329 -10.409 729 HB VAL 99 HB VAL 99 4.185 6.781 -10.078 730 1HG1 VAL 99 1HG1 VAL 99 4.233 6.211 -12.472 731 2HG1 VAL 99 2HG1 VAL 99 5.755 7.088 -12.633 732 3HG1 VAL 99 3HG1 VAL 99 5.670 5.647 -11.621 733 1HG2 VAL 99 1HG2 VAL 99 6.471 8.657 -10.594 734 2HG2 VAL 99 2HG2 VAL 99 5.735 8.221 -9.051 735 3HG2 VAL 99 3HG2 VAL 99 6.703 7.038 -9.932 736 H SER 100 H SER 100 3.066 8.177 -13.571 737 HA SER 100 HA SER 100 5.316 9.453 -14.883 738 1HB SER 100 1HB SER 100 3.030 7.762 -15.710 739 2HB SER 100 2HB SER 100 3.563 8.950 -16.898 740 HG SER 100 HG SER 100 5.245 7.760 -17.264 741 H ASP 101 H ASP 101 2.492 10.441 -13.484 742 HA ASP 101 HA ASP 101 2.010 12.662 -15.325 743 1HB ASP 101 1HB ASP 101 0.390 11.161 -13.470 744 2HB ASP 101 2HB ASP 101 0.292 12.882 -13.105 745 H GLY 102 H GLY 102 3.981 12.041 -12.737 746 1HA GLY 102 1HA GLY 102 3.842 14.831 -11.782 747 2HA GLY 102 2HA GLY 102 5.370 14.112 -12.263 748 H ASN 103 H ASN 103 2.676 12.837 -10.319 749 HA ASN 103 HA ASN 103 3.902 13.114 -7.816 750 1HB ASN 103 1HB ASN 103 1.872 11.045 -8.681 751 2HB ASN 103 2HB ASN 103 2.236 11.502 -7.021 752 2HD2 ASN 103 2HD2 ASN 103 -0.112 11.745 -9.050 753 1HD2 ASN 103 1HD2 ASN 103 -0.681 13.351 -8.770 754 H GLY 104 H GLY 104 6.012 12.408 -7.774 755 1HA GLY 104 1HA GLY 104 7.766 10.868 -8.184 756 2HA GLY 104 2HA GLY 104 6.566 9.627 -8.500 757 H MET 105 H MET 105 5.162 9.119 -6.491 758 HA MET 105 HA MET 105 5.228 7.888 -4.562 759 1HB MET 105 1HB MET 105 8.014 8.938 -4.050 760 2HB MET 105 2HB MET 105 7.231 7.567 -3.281 761 1HG MET 105 1HG MET 105 8.431 7.786 -5.996 762 2HG MET 105 2HG MET 105 8.647 6.542 -4.768 763 1HE MET 105 1HE MET 105 6.869 4.723 -4.191 764 2HE MET 105 2HE MET 105 5.580 5.908 -3.986 765 3HE MET 105 3HE MET 105 5.335 4.512 -5.035 766 H ASN 106 H ASN 106 5.197 11.022 -5.109 767 HA ASN 106 HA ASN 106 5.224 11.966 -2.365 768 1HB ASN 106 1HB ASN 106 5.251 13.168 -5.072 769 2HB ASN 106 2HB ASN 106 4.477 14.101 -3.807 770 2HD2 ASN 106 2HD2 ASN 106 5.871 15.648 -3.292 771 1HD2 ASN 106 1HD2 ASN 106 7.535 15.410 -2.893 772 H ALA 107 H ALA 107 2.964 11.189 -4.921 773 HA ALA 107 HA ALA 107 0.691 12.510 -3.902 774 1HB ALA 107 1HB ALA 107 1.167 10.310 -5.833 775 2HB ALA 107 2HB ALA 107 -0.461 10.482 -5.178 776 3HB ALA 107 3HB ALA 107 0.291 11.827 -6.035 777 H TRP 108 H TRP 108 2.234 9.504 -3.100 778 HA TRP 108 HA TRP 108 0.026 8.668 -1.399 779 1HB TRP 108 1HB TRP 108 2.683 7.327 -1.946 780 2HB TRP 108 2HB TRP 108 1.320 6.615 -1.082 781 HD1 TRP 108 HD1 TRP 108 -0.787 5.831 -2.537 782 HE1 TRP 108 HE1 TRP 108 -1.064 5.338 -5.048 783 HE3 TRP 108 HE3 TRP 108 3.470 8.061 -4.277 784 HZ2 TRP 108 HZ2 TRP 108 0.335 5.832 -7.456 785 HZ3 TRP 108 HZ3 TRP 108 3.927 8.008 -6.693 786 HH2 TRP 108 HH2 TRP 108 2.392 6.917 -8.247 787 H VAL 109 H VAL 109 -0.109 9.250 0.627 788 HA VAL 109 HA VAL 109 1.893 10.761 1.947 789 HB VAL 109 HB VAL 109 -0.162 9.610 3.606 790 1HG1 VAL 109 1HG1 VAL 109 0.874 12.365 3.058 791 2HG1 VAL 109 2HG1 VAL 109 -0.484 12.059 4.140 792 3HG1 VAL 109 3HG1 VAL 109 1.103 11.381 4.503 793 1HG2 VAL 109 1HG2 VAL 109 -0.841 11.021 1.084 794 2HG2 VAL 109 2HG2 VAL 109 -1.683 9.697 1.893 795 3HG2 VAL 109 3HG2 VAL 109 -1.814 11.341 2.521 796 H ALA 110 H ALA 110 1.216 7.371 1.899 797 HA ALA 110 HA ALA 110 2.382 6.764 4.424 798 1HB ALA 110 1HB ALA 110 1.554 5.184 2.037 799 2HB ALA 110 2HB ALA 110 1.050 5.033 3.721 800 3HB ALA 110 3HB ALA 110 2.630 4.434 3.216 801 H TRP 111 H TRP 111 3.615 7.341 1.243 802 HA TRP 111 HA TRP 111 6.217 6.245 1.846 803 1HB TRP 111 1HB TRP 111 5.366 6.194 -0.467 804 2HB TRP 111 2HB TRP 111 5.346 7.950 -0.497 805 HD1 TRP 111 HD1 TRP 111 7.668 4.984 -0.848 806 HE1 TRP 111 HE1 TRP 111 10.001 5.809 -1.560 807 HE3 TRP 111 HE3 TRP 111 6.975 10.016 -0.249 808 HZ2 TRP 111 HZ2 TRP 111 11.364 8.262 -1.834 809 HZ3 TRP 111 HZ3 TRP 111 8.845 11.532 -0.759 810 HH2 TRP 111 HH2 TRP 111 10.993 10.672 -1.534 811 H ARG 112 H ARG 112 4.641 9.422 1.810 812 HA ARG 112 HA ARG 112 7.149 10.723 2.514 813 1HB ARG 112 1HB ARG 112 4.467 11.572 1.610 814 2HB ARG 112 2HB ARG 112 5.303 12.663 2.705 815 1HG ARG 112 1HG ARG 112 6.857 11.637 0.410 816 2HG ARG 112 2HG ARG 112 5.562 12.781 0.053 817 1HD ARG 112 1HD ARG 112 6.804 13.928 2.215 818 2HD ARG 112 2HD ARG 112 8.152 13.211 1.332 819 HE ARG 112 HE ARG 112 7.040 14.466 -0.651 820 1HH1 ARG 112 1HH1 ARG 112 7.277 15.579 2.643 821 2HH1 ARG 112 2HH1 ARG 112 7.293 17.256 2.211 822 1HH2 ARG 112 1HH2 ARG 112 7.062 16.671 -1.228 823 2HH2 ARG 112 2HH2 ARG 112 7.170 17.877 0.010 824 H ASN 113 H ASN 113 6.477 8.901 4.382 825 HA ASN 113 HA ASN 113 6.063 10.560 6.707 826 1HB ASN 113 1HB ASN 113 3.839 9.268 5.678 827 2HB ASN 113 2HB ASN 113 4.391 8.179 6.947 828 2HD2 ASN 113 2HD2 ASN 113 3.103 8.506 8.617 829 1HD2 ASN 113 1HD2 ASN 113 2.714 10.041 9.307 830 H ARG 114 H ARG 114 6.089 7.134 5.753 831 HA ARG 114 HA ARG 114 8.095 6.651 7.851 832 1HB ARG 114 1HB ARG 114 5.826 5.065 6.789 833 2HB ARG 114 2HB ARG 114 7.265 4.179 7.266 834 1HG ARG 114 1HG ARG 114 6.047 6.180 9.119 835 2HG ARG 114 2HG ARG 114 5.370 4.556 8.983 836 1HD ARG 114 1HD ARG 114 6.868 4.039 10.574 837 2HD ARG 114 2HD ARG 114 8.016 4.005 9.236 838 HE ARG 114 HE ARG 114 7.643 6.570 10.546 839 1HH1 ARG 114 1HH1 ARG 114 9.533 3.656 10.261 840 2HH1 ARG 114 2HH1 ARG 114 10.944 4.348 10.989 841 1HH2 ARG 114 1HH2 ARG 114 9.496 7.488 11.505 842 2HH2 ARG 114 2HH2 ARG 114 10.923 6.525 11.696 843 H CYS 115 H CYS 115 8.124 7.277 4.705 844 HA CYS 115 HA CYS 115 10.159 5.226 4.121 845 1HB CYS 115 1HB CYS 115 8.442 6.734 2.147 846 2HB CYS 115 2HB CYS 115 9.642 5.510 1.749 847 H LYS 116 H LYS 116 9.302 8.612 3.333 848 HA LYS 116 HA LYS 116 11.848 9.266 2.316 849 1HB LYS 116 1HB LYS 116 9.830 10.583 1.831 850 2HB LYS 116 2HB LYS 116 9.744 11.077 3.516 851 1HG LYS 116 1HG LYS 116 11.149 12.752 3.164 852 2HG LYS 116 2HG LYS 116 12.337 11.675 2.427 853 1HD LYS 116 1HD LYS 116 10.896 11.790 0.328 854 2HD LYS 116 2HD LYS 116 10.070 13.142 1.105 855 1HE LYS 116 1HE LYS 116 11.762 14.548 0.700 856 2HE LYS 116 2HE LYS 116 12.973 13.368 1.200 857 1HZ LYS 116 1HZ LYS 116 12.476 12.280 -1.048 858 2HZ LYS 116 2HZ LYS 116 11.772 13.761 -1.467 859 3HZ LYS 116 3HZ LYS 116 13.407 13.693 -1.038 860 H GLY 117 H GLY 117 13.377 8.471 3.807 861 1HA GLY 117 1HA GLY 117 13.415 9.720 6.458 862 2HA GLY 117 2HA GLY 117 14.775 10.019 5.387 863 H THR 118 H THR 118 13.647 6.956 4.738 864 HA THR 118 HA THR 118 15.572 5.764 6.621 865 HB THR 118 HB THR 118 14.201 3.679 6.485 866 HG1 THR 118 HG1 THR 118 12.129 5.307 5.439 867 1HG2 THR 118 1HG2 THR 118 13.783 5.960 8.028 868 2HG2 THR 118 2HG2 THR 118 12.171 5.472 7.506 869 3HG2 THR 118 3HG2 THR 118 13.201 4.332 8.372 870 H ASP 119 H ASP 119 15.058 3.141 5.233 871 HA ASP 119 HA ASP 119 16.458 3.660 2.715 872 1HB ASP 119 1HB ASP 119 17.841 2.824 4.752 873 2HB ASP 119 2HB ASP 119 17.178 1.285 4.252 874 H VAL 120 H VAL 120 14.916 3.156 1.278 875 HA VAL 120 HA VAL 120 13.102 0.980 1.613 876 HB VAL 120 HB VAL 120 12.474 1.477 -0.767 877 1HG1 VAL 120 1HG1 VAL 120 12.498 3.809 1.145 878 2HG1 VAL 120 2HG1 VAL 120 11.443 3.644 -0.259 879 3HG1 VAL 120 3HG1 VAL 120 11.299 2.516 1.089 880 1HG2 VAL 120 1HG2 VAL 120 14.942 2.563 -0.987 881 2HG2 VAL 120 2HG2 VAL 120 13.600 2.928 -2.072 882 3HG2 VAL 120 3HG2 VAL 120 13.969 4.011 -0.730 883 H GLN 121 H GLN 121 16.174 1.486 0.032 884 HA GLN 121 HA GLN 121 16.187 -0.748 -1.669 885 1HB GLN 121 1HB GLN 121 17.872 1.183 -1.565 886 2HB GLN 121 2HB GLN 121 18.619 0.313 -0.231 887 1HG GLN 121 1HG GLN 121 19.756 -0.930 -1.656 888 2HG GLN 121 2HG GLN 121 18.256 -1.505 -2.380 889 2HE2 GLN 121 2HE2 GLN 121 21.042 -0.493 -3.312 890 1HE2 GLN 121 1HE2 GLN 121 20.647 0.527 -4.649 891 H ALA 122 H ALA 122 16.421 -0.398 1.723 892 HA ALA 122 HA ALA 122 17.506 -3.063 2.153 893 1HB ALA 122 1HB ALA 122 16.938 -0.705 3.878 894 2HB ALA 122 2HB ALA 122 16.960 -2.303 4.624 895 3HB ALA 122 3HB ALA 122 18.385 -1.706 3.773 896 H TRP 123 H TRP 123 14.476 -1.436 1.924 897 HA TRP 123 HA TRP 123 12.881 -3.114 3.535 898 1HB TRP 123 1HB TRP 123 12.375 -1.236 1.285 899 2HB TRP 123 2HB TRP 123 11.109 -2.398 1.664 900 HD1 TRP 123 HD1 TRP 123 11.450 0.966 2.228 901 HE1 TRP 123 HE1 TRP 123 10.631 1.764 4.534 902 HE3 TRP 123 HE3 TRP 123 11.428 -3.488 4.707 903 HZ2 TRP 123 HZ2 TRP 123 10.062 0.618 7.040 904 HZ3 TRP 123 HZ3 TRP 123 10.735 -3.561 7.047 905 HH2 TRP 123 HH2 TRP 123 10.059 -1.525 8.201 906 H ILE 124 H ILE 124 14.491 -3.713 0.602 907 HA ILE 124 HA ILE 124 12.985 -6.224 0.265 908 HB ILE 124 HB ILE 124 13.575 -6.094 -2.175 909 1HG1 ILE 124 1HG1 ILE 124 13.768 -3.179 -2.144 910 2HG1 ILE 124 2HG1 ILE 124 15.146 -3.960 -1.373 911 1HG2 ILE 124 1HG2 ILE 124 11.562 -4.581 -0.720 912 2HG2 ILE 124 2HG2 ILE 124 11.881 -3.933 -2.328 913 3HG2 ILE 124 3HG2 ILE 124 11.396 -5.618 -2.137 914 1HD1 ILE 124 1HD1 ILE 124 14.540 -5.300 -3.822 915 2HD1 ILE 124 2HD1 ILE 124 14.690 -3.565 -4.109 916 3HD1 ILE 124 3HD1 ILE 124 16.010 -4.451 -3.344 917 H ARG 125 H ARG 125 15.656 -5.190 1.499 918 HA ARG 125 HA ARG 125 17.758 -6.453 0.098 919 1HB ARG 125 1HB ARG 125 17.693 -4.736 2.153 920 2HB ARG 125 2HB ARG 125 17.930 -6.227 3.055 921 1HG ARG 125 1HG ARG 125 20.089 -5.482 2.701 922 2HG ARG 125 2HG ARG 125 19.863 -6.656 1.403 923 1HD ARG 125 1HD ARG 125 20.809 -4.868 0.285 924 2HD ARG 125 2HD ARG 125 19.086 -4.602 0.025 925 HE ARG 125 HE ARG 125 19.155 -2.818 1.569 926 1HH1 ARG 125 1HH1 ARG 125 22.277 -4.258 1.006 927 2HH1 ARG 125 2HH1 ARG 125 23.157 -2.912 1.650 928 1HH2 ARG 125 1HH2 ARG 125 20.304 -1.041 2.418 929 2HH2 ARG 125 2HH2 ARG 125 22.036 -1.084 2.453 930 H GLY 126 H GLY 126 17.470 -8.558 -0.436 931 1HA GLY 126 1HA GLY 126 17.090 -10.438 1.811 932 2HA GLY 126 2HA GLY 126 18.104 -10.771 0.416 933 H CYS 127 H CYS 127 15.417 -9.174 -0.668 934 HA CYS 127 HA CYS 127 13.447 -11.158 -0.661 935 1HB CYS 127 1HB CYS 127 13.912 -8.661 -2.079 936 2HB CYS 127 2HB CYS 127 12.767 -9.759 -2.821 937 H ARG 128 H ARG 128 12.553 -11.674 -3.108 938 HA ARG 128 HA ARG 128 14.782 -12.956 -4.537 939 1HB ARG 128 1HB ARG 128 13.120 -14.408 -3.024 940 2HB ARG 128 2HB ARG 128 12.153 -14.342 -4.490 941 1HG ARG 128 1HG ARG 128 13.478 -15.781 -5.567 942 2HG ARG 128 2HG ARG 128 14.953 -15.023 -4.964 943 1HD ARG 128 1HD ARG 128 14.263 -16.129 -2.707 944 2HD ARG 128 2HD ARG 128 13.283 -17.175 -3.734 945 HE ARG 128 HE ARG 128 15.203 -18.180 -4.505 946 1HH1 ARG 128 1HH1 ARG 128 16.021 -15.310 -2.705 947 2HH1 ARG 128 2HH1 ARG 128 17.716 -15.663 -2.665 948 1HH2 ARG 128 1HH2 ARG 128 17.433 -18.653 -4.455 949 2HH2 ARG 128 2HH2 ARG 128 18.519 -17.562 -3.660 950 H LEU 129 H LEU 129 14.623 -11.081 -5.933 951 HA LEU 129 HA LEU 129 12.854 -11.574 -8.151 952 1HB LEU 129 1HB LEU 129 12.047 -9.161 -8.143 953 2HB LEU 129 2HB LEU 129 11.300 -10.256 -6.997 954 HG LEU 129 HG LEU 129 13.541 -9.000 -5.739 955 1HD1 LEU 129 1HD1 LEU 129 12.463 -7.332 -7.680 956 2HD1 LEU 129 2HD1 LEU 129 11.702 -6.818 -6.174 957 3HD1 LEU 129 3HD1 LEU 129 13.459 -6.854 -6.306 958 1HD2 LEU 129 1HD2 LEU 129 11.410 -10.007 -4.778 959 2HD2 LEU 129 2HD2 LEU 129 11.970 -8.493 -4.068 960 3HD2 LEU 129 3HD2 LEU 129 10.628 -8.488 -5.214 No H/Q in entry = 960 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -7.417 -9.021 -0.386 2 H2 LYS 1 H2 LYS 1 -8.190 -10.387 0.246 3 H3 LYS 1 H3 LYS 1 -7.595 -9.194 1.287 4 HA LYS 1 HA LYS 1 -6.101 -11.026 1.353 5 1HB LYS 1 1HB LYS 1 -6.252 -10.739 -1.645 6 2HB LYS 1 2HB LYS 1 -4.960 -11.634 -0.858 7 1HG LYS 1 1HG LYS 1 -6.570 -13.160 0.116 8 2HG LYS 1 2HG LYS 1 -7.899 -12.234 -0.587 9 1HD LYS 1 1HD LYS 1 -5.877 -13.056 -2.533 10 2HD LYS 1 2HD LYS 1 -6.687 -14.407 -1.738 11 1HE LYS 1 1HE LYS 1 -8.817 -12.875 -2.278 12 2HE LYS 1 2HE LYS 1 -7.759 -12.366 -3.593 13 1HZ LYS 1 1HZ LYS 1 -7.460 -14.822 -4.045 14 2HZ LYS 1 2HZ LYS 1 -8.775 -15.084 -3.015 15 3HZ LYS 1 3HZ LYS 1 -8.974 -14.168 -4.423 16 H VAL 2 H VAL 2 -4.046 -10.532 1.917 17 HA VAL 2 HA VAL 2 -2.988 -7.952 0.963 18 HB VAL 2 HB VAL 2 -2.499 -9.376 3.583 19 1HG1 VAL 2 1HG1 VAL 2 -0.629 -7.897 2.322 20 2HG1 VAL 2 2HG1 VAL 2 -1.499 -6.630 3.185 21 3HG1 VAL 2 3HG1 VAL 2 -0.790 -7.976 4.077 22 1HG2 VAL 2 1HG2 VAL 2 -4.415 -7.415 2.733 23 2HG2 VAL 2 2HG2 VAL 2 -4.265 -8.229 4.289 24 3HG2 VAL 2 3HG2 VAL 2 -3.366 -6.744 3.981 25 H PHE 3 H PHE 3 -1.138 -7.962 -0.189 26 HA PHE 3 HA PHE 3 0.223 -10.407 -0.760 27 1HB PHE 3 1HB PHE 3 0.968 -7.530 -1.337 28 2HB PHE 3 2HB PHE 3 1.843 -8.923 -1.950 29 HD1 PHE 3 HD1 PHE 3 -1.060 -10.369 -2.265 30 HD2 PHE 3 HD2 PHE 3 0.805 -6.819 -3.679 31 HE1 PHE 3 HE1 PHE 3 -2.509 -10.400 -4.253 32 HE2 PHE 3 HE2 PHE 3 -0.633 -6.844 -5.664 33 HZ PHE 3 HZ PHE 3 -2.291 -8.635 -5.959 34 H GLY 4 H GLY 4 2.766 -10.250 -0.630 35 1HA GLY 4 1HA GLY 4 4.306 -10.812 1.092 36 2HA GLY 4 2HA GLY 4 3.393 -9.790 2.198 37 H ARG 5 H ARG 5 6.271 -9.764 1.617 38 HA ARG 5 HA ARG 5 6.474 -6.921 1.011 39 1HB ARG 5 1HB ARG 5 8.536 -8.877 2.048 40 2HB ARG 5 2HB ARG 5 8.811 -7.155 1.817 41 1HG ARG 5 1HG ARG 5 7.312 -6.582 3.544 42 2HG ARG 5 2HG ARG 5 6.651 -8.217 3.613 43 1HD ARG 5 1HD ARG 5 9.561 -7.879 4.093 44 2HD ARG 5 2HD ARG 5 8.457 -7.336 5.356 45 HE ARG 5 HE ARG 5 7.947 -10.003 4.377 46 1HH1 ARG 5 1HH1 ARG 5 9.660 -8.051 6.701 47 2HH1 ARG 5 2HH1 ARG 5 9.866 -9.348 7.830 48 1HH2 ARG 5 1HH2 ARG 5 8.213 -11.715 5.859 49 2HH2 ARG 5 2HH2 ARG 5 9.044 -11.431 7.351 50 H CYS 6 H CYS 6 8.208 -9.884 0.021 51 HA CYS 6 HA CYS 6 9.208 -8.483 -2.301 52 1HB CYS 6 1HB CYS 6 9.535 -11.422 -1.777 53 2HB CYS 6 2HB CYS 6 10.549 -10.343 -2.728 54 H GLU 7 H GLU 7 6.827 -10.989 -1.577 55 HA GLU 7 HA GLU 7 6.264 -11.966 -4.081 56 1HB GLU 7 1HB GLU 7 5.102 -12.462 -1.819 57 2HB GLU 7 2HB GLU 7 4.037 -11.126 -2.235 58 1HG GLU 7 1HG GLU 7 2.848 -12.394 -3.607 59 2HG GLU 7 2HG GLU 7 4.295 -12.974 -4.433 60 H LEU 8 H LEU 8 4.951 -9.043 -2.589 61 HA LEU 8 HA LEU 8 3.578 -8.130 -4.882 62 1HB LEU 8 1HB LEU 8 3.051 -7.354 -2.616 63 2HB LEU 8 2HB LEU 8 4.623 -6.593 -2.499 64 HG LEU 8 HG LEU 8 2.470 -5.188 -3.051 65 1HD1 LEU 8 1HD1 LEU 8 4.721 -4.289 -2.842 66 2HD1 LEU 8 2HD1 LEU 8 5.083 -4.788 -4.494 67 3HD1 LEU 8 3HD1 LEU 8 3.864 -3.550 -4.195 68 1HD2 LEU 8 1HD2 LEU 8 2.182 -6.760 -5.145 69 2HD2 LEU 8 2HD2 LEU 8 1.781 -5.045 -5.225 70 3HD2 LEU 8 3HD2 LEU 8 3.317 -5.622 -5.870 71 H ALA 9 H ALA 9 6.853 -7.529 -3.600 72 HA ALA 9 HA ALA 9 7.565 -5.488 -5.391 73 1HB ALA 9 1HB ALA 9 8.859 -6.987 -3.391 74 2HB ALA 9 2HB ALA 9 9.851 -7.090 -4.847 75 3HB ALA 9 3HB ALA 9 9.413 -5.514 -4.188 76 H ALA 10 H ALA 10 8.147 -9.005 -5.657 77 HA ALA 10 HA ALA 10 9.429 -9.046 -8.093 78 1HB ALA 10 1HB ALA 10 8.334 -11.328 -8.366 79 2HB ALA 10 2HB ALA 10 9.287 -11.081 -6.902 80 3HB ALA 10 3HB ALA 10 7.526 -11.007 -6.832 81 H ALA 11 H ALA 11 5.992 -8.833 -7.339 82 HA ALA 11 HA ALA 11 5.053 -9.027 -9.979 83 1HB ALA 11 1HB ALA 11 3.870 -7.834 -7.503 84 2HB ALA 11 2HB ALA 11 3.443 -9.350 -8.297 85 3HB ALA 11 3HB ALA 11 3.021 -7.812 -9.048 86 H MET 12 H MET 12 6.146 -6.424 -8.043 87 HA MET 12 HA MET 12 5.428 -4.267 -9.722 88 1HB MET 12 1HB MET 12 7.912 -4.277 -8.032 89 2HB MET 12 2HB MET 12 6.888 -2.921 -8.433 90 1HG MET 12 1HG MET 12 5.948 -5.202 -6.742 91 2HG MET 12 2HG MET 12 6.735 -3.774 -6.076 92 1HE MET 12 1HE MET 12 6.016 -1.409 -6.920 93 2HE MET 12 2HE MET 12 5.231 -1.652 -8.479 94 3HE MET 12 3HE MET 12 4.333 -0.928 -7.144 95 H LYS 13 H LYS 13 8.456 -6.092 -9.418 96 HA LYS 13 HA LYS 13 9.998 -4.790 -11.297 97 1HB LYS 13 1HB LYS 13 10.651 -6.719 -9.752 98 2HB LYS 13 2HB LYS 13 9.996 -7.789 -10.983 99 1HG LYS 13 1HG LYS 13 11.846 -5.852 -12.092 100 2HG LYS 13 2HG LYS 13 12.582 -6.846 -10.833 101 1HD LYS 13 1HD LYS 13 10.911 -8.252 -12.830 102 2HD LYS 13 2HD LYS 13 12.448 -7.597 -13.402 103 1HE LYS 13 1HE LYS 13 13.492 -9.350 -12.529 104 2HE LYS 13 2HE LYS 13 12.959 -8.845 -10.927 105 1HZ LYS 13 1HZ LYS 13 11.284 -10.486 -12.738 106 2HZ LYS 13 2HZ LYS 13 12.336 -11.160 -11.597 107 3HZ LYS 13 3HZ LYS 13 11.045 -10.193 -11.090 108 H ARG 14 H ARG 14 7.826 -7.552 -11.807 109 HA ARG 14 HA ARG 14 8.166 -7.709 -14.591 110 1HB ARG 14 1HB ARG 14 6.485 -8.927 -12.584 111 2HB ARG 14 2HB ARG 14 5.539 -8.539 -14.014 112 1HG ARG 14 1HG ARG 14 6.889 -9.889 -15.396 113 2HG ARG 14 2HG ARG 14 8.136 -10.040 -14.156 114 1HD ARG 14 1HD ARG 14 5.620 -10.950 -13.126 115 2HD ARG 14 2HD ARG 14 5.968 -11.764 -14.650 116 HE ARG 14 HE ARG 14 7.666 -11.832 -12.247 117 1HH1 ARG 14 1HH1 ARG 14 6.720 -13.109 -15.348 118 2HH1 ARG 14 2HH1 ARG 14 7.699 -14.531 -15.205 119 1HH2 ARG 14 1HH2 ARG 14 8.958 -13.699 -12.050 120 2HH2 ARG 14 2HH2 ARG 14 8.970 -14.866 -13.330 121 H HIS 15 H HIS 15 5.995 -5.815 -12.550 122 HA HIS 15 HA HIS 15 4.428 -4.842 -14.715 123 1HB HIS 15 1HB HIS 15 4.625 -4.331 -11.792 124 2HB HIS 15 2HB HIS 15 3.852 -3.099 -12.784 125 HD1 HIS 15 HD1 HIS 15 2.448 -5.003 -10.627 126 HD2 HIS 15 HD2 HIS 15 2.322 -5.408 -14.760 127 HE1 HIS 15 HE1 HIS 15 0.361 -6.318 -11.109 128 HE2 HIS 15 HE2 HIS 15 0.259 -6.475 -13.622 129 H GLY 16 H GLY 16 7.603 -4.125 -13.895 130 1HA GLY 16 1HA GLY 16 7.588 -1.886 -15.628 131 2HA GLY 16 2HA GLY 16 8.970 -2.560 -14.793 132 H LEU 17 H LEU 17 7.524 -2.076 -12.079 133 HA LEU 17 HA LEU 17 7.553 0.832 -12.129 134 1HB LEU 17 1HB LEU 17 7.133 -0.780 -9.647 135 2HB LEU 17 2HB LEU 17 6.553 0.829 -10.020 136 HG LEU 17 HG LEU 17 5.382 -1.805 -10.650 137 1HD1 LEU 17 1HD1 LEU 17 4.683 0.374 -9.145 138 2HD1 LEU 17 2HD1 LEU 17 3.712 0.593 -10.601 139 3HD1 LEU 17 3HD1 LEU 17 3.582 -0.900 -9.672 140 1HD2 LEU 17 1HD2 LEU 17 5.323 0.503 -12.583 141 2HD2 LEU 17 2HD2 LEU 17 5.685 -1.193 -12.908 142 3HD2 LEU 17 3HD2 LEU 17 4.038 -0.704 -12.517 143 H ASP 18 H ASP 18 9.767 -1.497 -11.849 144 HA ASP 18 HA ASP 18 11.349 -0.461 -9.702 145 1HB ASP 18 1HB ASP 18 11.877 -2.667 -10.029 146 2HB ASP 18 2HB ASP 18 11.713 -2.566 -11.772 147 H ASN 19 H ASN 19 11.823 1.617 -9.947 148 HA ASN 19 HA ASN 19 12.901 3.493 -10.608 149 1HB ASN 19 1HB ASN 19 14.620 1.333 -11.377 150 2HB ASN 19 2HB ASN 19 14.694 2.580 -12.618 151 2HD2 ASN 19 2HD2 ASN 19 14.698 4.880 -11.518 152 1HD2 ASN 19 1HD2 ASN 19 15.909 5.069 -10.301 153 H TYR 20 H TYR 20 10.549 2.646 -11.935 154 HA TYR 20 HA TYR 20 10.744 3.163 -14.732 155 1HB TYR 20 1HB TYR 20 8.804 2.006 -13.629 156 2HB TYR 20 2HB TYR 20 8.338 3.551 -12.927 157 HD1 TYR 20 HD1 TYR 20 9.043 1.994 -16.250 158 HD2 TYR 20 HD2 TYR 20 6.802 4.865 -14.050 159 HE1 TYR 20 HE1 TYR 20 7.732 2.508 -18.266 160 HE2 TYR 20 HE2 TYR 20 5.484 5.385 -16.060 161 HH TYR 20 HH TYR 20 5.706 3.476 -18.949 162 H ARG 21 H ARG 21 9.585 5.186 -15.673 163 HA ARG 21 HA ARG 21 10.879 7.428 -15.497 164 1HB ARG 21 1HB ARG 21 7.859 7.388 -15.345 165 2HB ARG 21 2HB ARG 21 8.830 8.753 -15.877 166 1HG ARG 21 1HG ARG 21 9.511 6.380 -17.359 167 2HG ARG 21 2HG ARG 21 7.780 6.708 -17.449 168 1HD ARG 21 1HD ARG 21 8.658 9.177 -17.866 169 2HD ARG 21 2HD ARG 21 10.078 8.305 -18.445 170 HE ARG 21 HE ARG 21 8.496 7.120 -19.971 171 1HH1 ARG 21 1HH1 ARG 21 7.733 10.276 -18.708 172 2HH1 ARG 21 2HH1 ARG 21 6.694 10.695 -20.029 173 1HH2 ARG 21 1HH2 ARG 21 7.131 7.663 -21.715 174 2HH2 ARG 21 2HH2 ARG 21 6.352 9.210 -21.738 175 H GLY 22 H GLY 22 8.623 6.388 -13.030 176 1HA GLY 22 1HA GLY 22 8.105 7.257 -10.952 177 2HA GLY 22 2HA GLY 22 8.990 8.714 -11.376 178 H TYR 23 H TYR 23 9.066 5.742 -9.678 179 HA TYR 23 HA TYR 23 11.917 6.145 -9.100 180 1HB TYR 23 1HB TYR 23 9.645 5.940 -7.162 181 2HB TYR 23 2HB TYR 23 11.277 5.493 -6.678 182 HD1 TYR 23 HD1 TYR 23 9.414 8.299 -8.287 183 HD2 TYR 23 HD2 TYR 23 12.671 7.136 -5.811 184 HE1 TYR 23 HE1 TYR 23 9.914 10.664 -7.849 185 HE2 TYR 23 HE2 TYR 23 13.181 9.499 -5.365 186 HH TYR 23 HH TYR 23 11.205 12.103 -6.757 187 H SER 24 H SER 24 12.674 4.363 -7.485 188 HA SER 24 HA SER 24 12.517 1.913 -8.966 189 1HB SER 24 1HB SER 24 14.332 1.163 -7.552 190 2HB SER 24 2HB SER 24 14.658 2.813 -8.085 191 HG SER 24 HG SER 24 13.723 1.949 -5.554 192 H LEU 25 H LEU 25 12.391 -0.160 -7.850 193 HA LEU 25 HA LEU 25 9.974 -0.788 -6.863 194 1HB LEU 25 1HB LEU 25 12.620 -2.008 -6.841 195 2HB LEU 25 2HB LEU 25 11.603 -2.565 -5.526 196 HG LEU 25 HG LEU 25 10.457 -2.531 -8.265 197 1HD1 LEU 25 1HD1 LEU 25 12.490 -4.515 -7.269 198 2HD1 LEU 25 2HD1 LEU 25 11.380 -4.837 -8.601 199 3HD1 LEU 25 3HD1 LEU 25 12.561 -3.535 -8.734 200 1HD2 LEU 25 1HD2 LEU 25 10.173 -4.203 -5.783 201 2HD2 LEU 25 2HD2 LEU 25 8.967 -3.177 -6.559 202 3HD2 LEU 25 3HD2 LEU 25 9.474 -4.678 -7.331 203 H GLY 26 H GLY 26 12.817 -0.244 -4.754 204 1HA GLY 26 1HA GLY 26 12.930 0.665 -2.639 205 2HA GLY 26 2HA GLY 26 11.765 -0.601 -2.292 206 H ASN 27 H ASN 27 11.241 2.280 -4.283 207 HA ASN 27 HA ASN 27 9.911 3.761 -2.254 208 1HB ASN 27 1HB ASN 27 9.922 4.023 -5.262 209 2HB ASN 27 2HB ASN 27 9.110 5.162 -4.193 210 2HD2 ASN 27 2HD2 ASN 27 12.204 3.830 -5.132 211 1HD2 ASN 27 1HD2 ASN 27 13.164 5.138 -4.537 212 H TRP 28 H TRP 28 8.848 1.531 -4.733 213 HA TRP 28 HA TRP 28 6.056 2.014 -4.433 214 1HB TRP 28 1HB TRP 28 7.539 -0.326 -5.622 215 2HB TRP 28 2HB TRP 28 5.803 -0.048 -5.761 216 HD1 TRP 28 HD1 TRP 28 9.104 0.998 -7.213 217 HE1 TRP 28 HE1 TRP 28 8.716 2.658 -9.129 218 HE3 TRP 28 HE3 TRP 28 4.116 1.820 -6.548 219 HZ2 TRP 28 HZ2 TRP 28 6.564 4.116 -10.242 220 HZ3 TRP 28 HZ3 TRP 28 2.945 3.349 -8.075 221 HH2 TRP 28 HH2 TRP 28 4.148 4.481 -9.891 222 H VAL 29 H VAL 29 8.286 -0.447 -3.133 223 HA VAL 29 HA VAL 29 6.298 -1.973 -1.864 224 HB VAL 29 HB VAL 29 9.240 -1.712 -1.238 225 1HG1 VAL 29 1HG1 VAL 29 7.135 -3.585 -0.227 226 2HG1 VAL 29 2HG1 VAL 29 8.825 -4.079 -0.308 227 3HG1 VAL 29 3HG1 VAL 29 8.359 -2.692 0.675 228 1HG2 VAL 29 1HG2 VAL 29 8.126 -2.641 -3.533 229 2HG2 VAL 29 2HG2 VAL 29 9.682 -3.167 -2.890 230 3HG2 VAL 29 3HG2 VAL 29 8.232 -4.120 -2.577 231 H CYS 30 H CYS 30 8.527 0.488 -0.587 232 HA CYS 30 HA CYS 30 7.600 0.376 2.048 233 1HB CYS 30 1HB CYS 30 9.715 1.457 1.355 234 2HB CYS 30 2HB CYS 30 8.784 2.761 0.620 235 H ALA 31 H ALA 31 6.588 2.476 -0.661 236 HA ALA 31 HA ALA 31 4.773 4.030 0.814 237 1HB ALA 31 1HB ALA 31 5.733 4.318 -1.596 238 2HB ALA 31 2HB ALA 31 4.133 4.943 -1.197 239 3HB ALA 31 3HB ALA 31 4.292 3.415 -2.065 240 H ALA 32 H ALA 32 4.283 1.090 -1.119 241 HA ALA 32 HA ALA 32 1.485 0.955 -0.684 242 1HB ALA 32 1HB ALA 32 2.047 -0.264 -2.521 243 2HB ALA 32 2HB ALA 32 2.010 -1.560 -1.324 244 3HB ALA 32 3HB ALA 32 3.551 -0.852 -1.811 245 H LYS 33 H LYS 33 4.228 -0.729 0.847 246 HA LYS 33 HA LYS 33 2.937 -2.471 2.490 247 1HB LYS 33 1HB LYS 33 5.362 -2.369 2.305 248 2HB LYS 33 2HB LYS 33 5.380 -0.813 3.121 249 1HG LYS 33 1HG LYS 33 4.335 -1.998 5.103 250 2HG LYS 33 2HG LYS 33 4.730 -3.506 4.273 251 1HD LYS 33 1HD LYS 33 7.106 -2.296 4.100 252 2HD LYS 33 2HD LYS 33 6.508 -1.521 5.569 253 1HE LYS 33 1HE LYS 33 6.491 -4.502 5.171 254 2HE LYS 33 2HE LYS 33 7.855 -3.642 5.884 255 1HZ LYS 33 1HZ LYS 33 5.326 -2.964 7.072 256 2HZ LYS 33 2HZ LYS 33 5.723 -4.600 7.244 257 3HZ LYS 33 3HZ LYS 33 6.781 -3.410 7.809 258 H PHE 34 H PHE 34 3.876 0.843 3.424 259 HA PHE 34 HA PHE 34 2.363 0.672 5.825 260 1HB PHE 34 1HB PHE 34 4.062 2.661 4.563 261 2HB PHE 34 2HB PHE 34 2.870 3.288 5.680 262 HD1 PHE 34 HD1 PHE 34 2.834 2.277 8.027 263 HD2 PHE 34 HD2 PHE 34 6.074 1.776 5.313 264 HE1 PHE 34 HE1 PHE 34 4.312 1.693 9.905 265 HE2 PHE 34 HE2 PHE 34 7.557 1.191 7.187 266 HZ PHE 34 HZ PHE 34 6.677 1.150 9.487 267 H GLU 35 H GLU 35 1.602 1.588 2.619 268 HA GLU 35 HA GLU 35 -0.459 3.424 3.117 269 1HB GLU 35 1HB GLU 35 0.696 2.040 0.897 270 2HB GLU 35 2HB GLU 35 -1.054 1.908 0.796 271 1HG GLU 35 1HG GLU 35 -1.344 4.210 0.636 272 2HG GLU 35 2HG GLU 35 0.264 4.550 1.276 273 H SER 36 H SER 36 -0.646 -0.030 2.311 274 HA SER 36 HA SER 36 -3.257 -0.144 3.686 275 1HB SER 36 1HB SER 36 -3.837 -1.880 1.876 276 2HB SER 36 2HB SER 36 -3.792 -0.191 1.375 277 HG SER 36 HG SER 36 -1.361 -1.065 1.065 278 H ASN 37 H ASN 37 -0.273 -1.095 4.133 279 HA ASN 37 HA ASN 37 0.753 -2.854 5.184 280 1HB ASN 37 1HB ASN 37 -1.436 -2.551 6.610 281 2HB ASN 37 2HB ASN 37 -1.924 -4.057 5.835 282 2HD2 ASN 37 2HD2 ASN 37 0.949 -2.683 7.408 283 1HD2 ASN 37 1HD2 ASN 37 1.315 -4.087 8.345 284 H PHE 38 H PHE 38 -0.098 -2.907 2.427 285 HA PHE 38 HA PHE 38 0.125 -4.172 0.624 286 1HB PHE 38 1HB PHE 38 0.915 -6.205 2.685 287 2HB PHE 38 2HB PHE 38 0.747 -6.650 0.988 288 HD1 PHE 38 HD1 PHE 38 1.784 -4.470 -0.496 289 HD2 PHE 38 HD2 PHE 38 3.154 -6.031 3.219 290 HE1 PHE 38 HE1 PHE 38 4.025 -3.577 -0.958 291 HE2 PHE 38 HE2 PHE 38 5.400 -5.136 2.765 292 HZ PHE 38 HZ PHE 38 5.843 -3.915 0.672 293 H ASN 39 H ASN 39 -2.392 -3.848 2.188 294 HA ASN 39 HA ASN 39 -3.894 -6.228 1.465 295 1HB ASN 39 1HB ASN 39 -4.346 -4.966 3.589 296 2HB ASN 39 2HB ASN 39 -4.926 -3.626 2.607 297 2HD2 ASN 39 2HD2 ASN 39 -6.785 -4.233 4.138 298 1HD2 ASN 39 1HD2 ASN 39 -7.962 -5.315 3.485 299 H THR 40 H THR 40 -4.367 -6.447 -0.599 300 HA THR 40 HA THR 40 -4.499 -4.272 -2.431 301 HB THR 40 HB THR 40 -4.625 -5.858 -4.084 302 HG1 THR 40 HG1 THR 40 -6.230 -7.365 -2.284 303 1HG2 THR 40 1HG2 THR 40 -3.619 -7.307 -1.655 304 2HG2 THR 40 2HG2 THR 40 -3.575 -8.028 -3.264 305 3HG2 THR 40 3HG2 THR 40 -2.687 -6.540 -2.942 306 H GLN 41 H GLN 41 -6.628 -5.622 -0.250 307 HA GLN 41 HA GLN 41 -8.992 -4.626 -1.674 308 1HB GLN 41 1HB GLN 41 -8.467 -6.873 0.179 309 2HB GLN 41 2HB GLN 41 -10.009 -6.068 0.348 310 1HG GLN 41 1HG GLN 41 -9.227 -6.782 -2.396 311 2HG GLN 41 2HG GLN 41 -9.566 -8.127 -1.309 312 2HE2 GLN 41 2HE2 GLN 41 -11.545 -8.836 -1.609 313 1HE2 GLN 41 1HE2 GLN 41 -12.951 -7.866 -1.866 314 H ALA 42 H ALA 42 -6.855 -3.532 0.501 315 HA ALA 42 HA ALA 42 -8.469 -2.651 2.651 316 1HB ALA 42 1HB ALA 42 -5.718 -2.188 1.725 317 2HB ALA 42 2HB ALA 42 -6.334 -2.540 3.339 318 3HB ALA 42 3HB ALA 42 -6.427 -0.900 2.699 319 H THR 43 H THR 43 -9.574 -0.848 3.001 320 HA THR 43 HA THR 43 -9.682 1.183 0.867 321 HB THR 43 HB THR 43 -11.974 1.330 0.984 322 HG1 THR 43 HG1 THR 43 -13.161 0.693 2.870 323 1HG2 THR 43 1HG2 THR 43 -11.135 -1.095 0.479 324 2HG2 THR 43 2HG2 THR 43 -11.913 -1.477 2.014 325 3HG2 THR 43 3HG2 THR 43 -12.858 -0.788 0.695 326 H ASN 44 H ASN 44 -9.419 3.293 1.533 327 HA ASN 44 HA ASN 44 -9.423 3.785 4.437 328 1HB ASN 44 1HB ASN 44 -7.207 3.912 2.684 329 2HB ASN 44 2HB ASN 44 -7.624 5.574 3.091 330 2HD2 ASN 44 2HD2 ASN 44 -8.330 5.630 5.584 331 1HD2 ASN 44 1HD2 ASN 44 -7.123 4.984 6.637 332 H ARG 45 H ARG 45 -11.301 4.872 4.655 333 HA ARG 45 HA ARG 45 -12.145 6.855 2.745 334 1HB ARG 45 1HB ARG 45 -13.665 5.323 4.117 335 2HB ARG 45 2HB ARG 45 -13.336 6.392 5.473 336 1HG ARG 45 1HG ARG 45 -15.158 7.477 4.769 337 2HG ARG 45 2HG ARG 45 -14.069 8.179 3.570 338 1HD ARG 45 1HD ARG 45 -14.672 6.363 2.010 339 2HD ARG 45 2HD ARG 45 -15.816 5.748 3.202 340 HE ARG 45 HE ARG 45 -16.051 8.320 1.790 341 1HH1 ARG 45 1HH1 ARG 45 -17.449 5.691 3.599 342 2HH1 ARG 45 2HH1 ARG 45 -19.078 6.235 3.378 343 1HH2 ARG 45 1HH2 ARG 45 -18.193 9.044 1.494 344 2HH2 ARG 45 2HH2 ARG 45 -19.501 8.141 2.180 345 H ASN 46 H ASN 46 -11.755 8.966 2.786 346 HA ASN 46 HA ASN 46 -10.449 10.090 5.174 347 1HB ASN 46 1HB ASN 46 -10.381 11.405 2.480 348 2HB ASN 46 2HB ASN 46 -9.231 11.533 3.806 349 2HD2 ASN 46 2HD2 ASN 46 -8.439 9.145 4.413 350 1HD2 ASN 46 1HD2 ASN 46 -7.783 8.291 3.061 351 H THR 47 H THR 47 -10.769 12.595 5.218 352 HA THR 47 HA THR 47 -13.601 13.019 5.560 353 HB THR 47 HB THR 47 -12.911 15.275 6.394 354 HG1 THR 47 HG1 THR 47 -11.005 15.875 5.674 355 1HG2 THR 47 1HG2 THR 47 -11.642 12.807 7.565 356 2HG2 THR 47 2HG2 THR 47 -11.614 14.370 8.378 357 3HG2 THR 47 3HG2 THR 47 -13.154 13.583 8.035 358 H ASP 48 H ASP 48 -11.331 13.563 3.087 359 HA ASP 48 HA ASP 48 -12.510 15.888 1.925 360 1HB ASP 48 1HB ASP 48 -11.164 15.177 -0.103 361 2HB ASP 48 2HB ASP 48 -10.243 15.467 1.369 362 H GLY 49 H GLY 49 -13.494 12.681 2.109 363 1HA GLY 49 1HA GLY 49 -15.438 13.141 -0.057 364 2HA GLY 49 2HA GLY 49 -15.696 12.093 1.330 365 H SER 50 H SER 50 -12.702 12.083 -0.466 366 HA SER 50 HA SER 50 -13.460 9.839 -2.108 367 1HB SER 50 1HB SER 50 -10.808 9.918 -2.459 368 2HB SER 50 2HB SER 50 -11.899 11.038 -3.276 369 HG SER 50 HG SER 50 -10.370 12.301 -2.353 370 H THR 51 H THR 51 -11.762 7.977 -2.171 371 HA THR 51 HA THR 51 -11.001 7.135 0.530 372 HB THR 51 HB THR 51 -12.460 5.196 -1.237 373 HG1 THR 51 HG1 THR 51 -13.544 7.188 0.447 374 1HG2 THR 51 1HG2 THR 51 -11.892 5.385 1.716 375 2HG2 THR 51 2HG2 THR 51 -13.007 4.211 1.017 376 3HG2 THR 51 3HG2 THR 51 -11.299 4.177 0.577 377 H ASP 52 H ASP 52 -9.699 5.084 0.476 378 HA ASP 52 HA ASP 52 -8.041 4.984 -1.961 379 1HB ASP 52 1HB ASP 52 -7.274 4.545 0.932 380 2HB ASP 52 2HB ASP 52 -6.208 4.220 -0.430 381 H TYR 53 H TYR 53 -9.271 3.376 -2.934 382 HA TYR 53 HA TYR 53 -9.527 0.839 -1.517 383 1HB TYR 53 1HB TYR 53 -10.580 1.633 -4.237 384 2HB TYR 53 2HB TYR 53 -10.944 0.144 -3.378 385 HD1 TYR 53 HD1 TYR 53 -12.025 0.475 -0.996 386 HD2 TYR 53 HD2 TYR 53 -12.066 3.391 -4.091 387 HE1 TYR 53 HE1 TYR 53 -13.985 1.536 0.040 388 HE2 TYR 53 HE2 TYR 53 -14.024 4.465 -3.062 389 HH TYR 53 HH TYR 53 -15.988 3.097 -0.981 390 H GLY 54 H GLY 54 -7.127 0.445 -1.618 391 1HA GLY 54 1HA GLY 54 -5.914 0.091 -4.167 392 2HA GLY 54 2HA GLY 54 -6.488 -1.444 -3.537 393 H ILE 55 H ILE 55 -4.197 -2.030 -3.638 394 HA ILE 55 HA ILE 55 -2.959 -1.832 -1.081 395 HB ILE 55 HB ILE 55 -2.608 -3.753 -2.695 396 1HG1 ILE 55 1HG1 ILE 55 0.013 -2.465 -1.941 397 2HG1 ILE 55 2HG1 ILE 55 -1.081 -3.129 -0.733 398 1HG2 ILE 55 1HG2 ILE 55 -1.604 -1.576 -4.325 399 2HG2 ILE 55 2HG2 ILE 55 -0.440 -2.893 -4.187 400 3HG2 ILE 55 3HG2 ILE 55 -2.066 -3.214 -4.787 401 1HD1 ILE 55 1HD1 ILE 55 -0.700 -5.067 -2.779 402 2HD1 ILE 55 2HD1 ILE 55 0.874 -4.469 -2.253 403 3HD1 ILE 55 3HD1 ILE 55 -0.251 -5.146 -1.075 404 H LEU 56 H LEU 56 -2.943 -0.021 -3.985 405 HA LEU 56 HA LEU 56 -0.755 1.689 -3.020 406 1HB LEU 56 1HB LEU 56 -1.312 0.619 -5.609 407 2HB LEU 56 2HB LEU 56 -1.530 2.355 -5.690 408 HG LEU 56 HG LEU 56 0.707 2.066 -6.305 409 1HD1 LEU 56 1HD1 LEU 56 0.175 3.469 -4.066 410 2HD1 LEU 56 2HD1 LEU 56 1.388 2.345 -3.453 411 3HD1 LEU 56 3HD1 LEU 56 1.764 3.387 -4.824 412 1HD2 LEU 56 1HD2 LEU 56 0.672 -0.371 -5.557 413 2HD2 LEU 56 2HD2 LEU 56 2.206 0.490 -5.426 414 3HD2 LEU 56 3HD2 LEU 56 1.221 0.220 -3.989 415 H GLN 57 H GLN 57 -3.904 1.429 -2.700 416 HA GLN 57 HA GLN 57 -5.548 2.839 -2.080 417 1HB GLN 57 1HB GLN 57 -3.501 5.019 -2.512 418 2HB GLN 57 2HB GLN 57 -5.053 5.217 -1.710 419 1HG GLN 57 1HG GLN 57 -4.234 3.403 -0.100 420 2HG GLN 57 2HG GLN 57 -2.636 3.722 -0.773 421 2HE2 GLN 57 2HE2 GLN 57 -4.463 4.368 1.775 422 1HE2 GLN 57 1HE2 GLN 57 -3.912 5.954 2.184 423 H ILE 58 H ILE 58 -6.487 2.077 -4.216 424 HA ILE 58 HA ILE 58 -6.318 4.006 -6.363 425 HB ILE 58 HB ILE 58 -8.201 1.663 -6.258 426 1HG1 ILE 58 1HG1 ILE 58 -6.067 0.709 -5.724 427 2HG1 ILE 58 2HG1 ILE 58 -6.373 0.384 -7.426 428 1HG2 ILE 58 1HG2 ILE 58 -7.238 3.556 -8.290 429 2HG2 ILE 58 2HG2 ILE 58 -7.310 1.869 -8.803 430 3HG2 ILE 58 3HG2 ILE 58 -8.759 2.668 -8.191 431 1HD1 ILE 58 1HD1 ILE 58 -4.991 2.811 -7.359 432 2HD1 ILE 58 2HD1 ILE 58 -4.182 1.759 -6.198 433 3HD1 ILE 58 3HD1 ILE 58 -4.383 1.237 -7.870 434 H ASN 59 H ASN 59 -7.281 5.875 -5.729 435 HA ASN 59 HA ASN 59 -9.682 6.053 -4.277 436 1HB ASN 59 1HB ASN 59 -8.083 7.913 -4.471 437 2HB ASN 59 2HB ASN 59 -8.432 8.041 -6.192 438 2HD2 ASN 59 2HD2 ASN 59 -8.809 10.297 -5.262 439 1HD2 ASN 59 1HD2 ASN 59 -10.436 10.667 -4.814 440 H SER 60 H SER 60 -11.375 4.876 -5.090 441 HA SER 60 HA SER 60 -11.971 4.660 -7.840 442 1HB SER 60 1HB SER 60 -13.730 3.319 -7.192 443 2HB SER 60 2HB SER 60 -12.713 3.219 -5.755 444 HG SER 60 HG SER 60 -15.195 4.001 -5.857 445 H ARG 61 H ARG 61 -12.462 7.252 -5.696 446 HA ARG 61 HA ARG 61 -14.751 8.259 -7.229 447 1HB ARG 61 1HB ARG 61 -14.523 8.256 -4.611 448 2HB ARG 61 2HB ARG 61 -13.564 9.704 -4.890 449 1HG ARG 61 1HG ARG 61 -15.615 10.449 -6.315 450 2HG ARG 61 2HG ARG 61 -16.470 9.236 -5.361 451 1HD ARG 61 1HD ARG 61 -16.659 11.427 -4.326 452 2HD ARG 61 2HD ARG 61 -15.726 10.336 -3.304 453 HE ARG 61 HE ARG 61 -13.813 11.593 -3.732 454 1HH1 ARG 61 1HH1 ARG 61 -16.537 12.777 -5.554 455 2HH1 ARG 61 2HH1 ARG 61 -15.772 14.274 -5.972 456 1HH2 ARG 61 1HH2 ARG 61 -12.798 13.561 -4.277 457 2HH2 ARG 61 2HH2 ARG 61 -13.646 14.719 -5.246 458 H TRP 62 H TRP 62 -12.029 8.113 -8.297 459 HA TRP 62 HA TRP 62 -11.913 10.770 -9.374 460 1HB TRP 62 1HB TRP 62 -10.153 10.046 -7.168 461 2HB TRP 62 2HB TRP 62 -9.266 10.582 -8.590 462 HD1 TRP 62 HD1 TRP 62 -10.970 11.909 -5.612 463 HE1 TRP 62 HE1 TRP 62 -11.297 14.455 -5.803 464 HE3 TRP 62 HE3 TRP 62 -9.925 12.493 -10.583 465 HZ2 TRP 62 HZ2 TRP 62 -11.133 16.446 -7.796 466 HZ3 TRP 62 HZ3 TRP 62 -10.033 14.752 -11.553 467 HH2 TRP 62 HH2 TRP 62 -10.625 16.686 -10.187 468 H TRP 63 H TRP 63 -9.946 7.837 -8.943 469 HA TRP 63 HA TRP 63 -8.907 8.119 -11.640 470 1HB TRP 63 1HB TRP 63 -8.324 6.053 -9.513 471 2HB TRP 63 2HB TRP 63 -7.500 6.170 -11.063 472 HD1 TRP 63 HD1 TRP 63 -6.723 6.890 -7.696 473 HE1 TRP 63 HE1 TRP 63 -5.085 8.862 -7.450 474 HE3 TRP 63 HE3 TRP 63 -7.259 8.960 -12.326 475 HZ2 TRP 63 HZ2 TRP 63 -4.146 11.020 -9.022 476 HZ3 TRP 63 HZ3 TRP 63 -5.986 10.976 -12.879 477 HH2 TRP 63 HH2 TRP 63 -4.451 11.990 -11.263 478 H CYS 64 H CYS 64 -11.534 6.416 -10.198 479 HA CYS 64 HA CYS 64 -11.821 4.966 -12.719 480 1HB CYS 64 1HB CYS 64 -11.868 2.845 -11.846 481 2HB CYS 64 2HB CYS 64 -10.717 3.582 -10.740 482 H ASN 65 H ASN 65 -13.909 4.111 -13.137 483 HA ASN 65 HA ASN 65 -16.011 5.675 -11.821 484 1HB ASN 65 1HB ASN 65 -15.685 5.616 -14.370 485 2HB ASN 65 2HB ASN 65 -16.329 3.979 -14.296 486 2HD2 ASN 65 2HD2 ASN 65 -17.088 7.177 -14.682 487 1HD2 ASN 65 1HD2 ASN 65 -18.784 7.100 -14.367 488 H ASP 66 H ASP 66 -16.794 4.653 -10.086 489 HA ASP 66 HA ASP 66 -17.183 1.747 -10.214 490 1HB ASP 66 1HB ASP 66 -17.187 1.726 -7.831 491 2HB ASP 66 2HB ASP 66 -15.844 2.748 -8.334 492 H GLY 67 H GLY 67 -18.924 4.648 -10.415 493 1HA GLY 67 1HA GLY 67 -21.394 3.286 -10.706 494 2HA GLY 67 2HA GLY 67 -21.170 5.027 -10.682 495 H ARG 68 H ARG 68 -19.952 3.401 -7.920 496 HA ARG 68 HA ARG 68 -22.436 3.572 -6.441 497 1HB ARG 68 1HB ARG 68 -19.652 2.666 -5.733 498 2HB ARG 68 2HB ARG 68 -20.919 2.816 -4.524 499 1HG ARG 68 1HG ARG 68 -21.513 1.232 -6.961 500 2HG ARG 68 2HG ARG 68 -20.423 0.537 -5.761 501 1HD ARG 68 1HD ARG 68 -22.211 1.120 -4.042 502 2HD ARG 68 2HD ARG 68 -23.283 1.395 -5.415 503 HE ARG 68 HE ARG 68 -22.382 -1.138 -4.397 504 1HH1 ARG 68 1HH1 ARG 68 -23.602 0.559 -7.185 505 2HH1 ARG 68 2HH1 ARG 68 -24.239 -0.867 -7.934 506 1HH2 ARG 68 1HH2 ARG 68 -23.218 -3.020 -5.375 507 2HH2 ARG 68 2HH2 ARG 68 -24.022 -2.901 -6.906 508 H THR 69 H THR 69 -19.987 5.693 -7.254 509 HA THR 69 HA THR 69 -20.751 7.482 -5.052 510 HB THR 69 HB THR 69 -17.949 7.624 -6.066 511 HG1 THR 69 HG1 THR 69 -18.727 5.856 -3.973 512 1HG2 THR 69 1HG2 THR 69 -19.103 9.237 -4.425 513 2HG2 THR 69 2HG2 THR 69 -18.941 7.934 -3.248 514 3HG2 THR 69 3HG2 THR 69 -17.504 8.628 -3.998 515 HA PRO 70 HA PRO 70 -21.557 9.933 -8.754 516 1HB PRO 70 1HB PRO 70 -22.750 11.998 -7.441 517 2HB PRO 70 2HB PRO 70 -23.587 10.493 -7.838 518 1HG PRO 70 1HG PRO 70 -22.336 11.342 -5.253 519 2HG PRO 70 2HG PRO 70 -23.889 10.530 -5.532 520 1HD PRO 70 1HD PRO 70 -21.687 9.190 -4.725 521 2HD PRO 70 2HD PRO 70 -22.904 8.458 -5.792 522 H GLY 71 H GLY 71 -19.743 10.816 -9.560 523 1HA GLY 71 1HA GLY 71 -18.265 12.754 -7.910 524 2HA GLY 71 2HA GLY 71 -18.801 13.214 -9.518 525 H SER 72 H SER 72 -18.142 10.029 -9.755 526 HA SER 72 HA SER 72 -15.356 9.829 -9.727 527 1HB SER 72 1HB SER 72 -16.959 8.324 -11.762 528 2HB SER 72 2HB SER 72 -15.627 7.764 -10.751 529 HG SER 72 HG SER 72 -17.318 8.287 -8.989 530 H ARG 73 H ARG 73 -14.001 11.107 -10.796 531 HA ARG 73 HA ARG 73 -14.693 12.517 -13.164 532 1HB ARG 73 1HB ARG 73 -12.893 13.021 -11.313 533 2HB ARG 73 2HB ARG 73 -11.845 12.077 -12.363 534 1HG ARG 73 1HG ARG 73 -11.428 14.097 -13.264 535 2HG ARG 73 2HG ARG 73 -12.895 13.741 -14.178 536 1HD ARG 73 1HD ARG 73 -13.996 14.843 -12.002 537 2HD ARG 73 2HD ARG 73 -12.439 15.671 -11.982 538 HE ARG 73 HE ARG 73 -12.956 16.559 -14.155 539 1HH1 ARG 73 1HH1 ARG 73 -15.592 14.978 -12.515 540 2HH1 ARG 73 2HH1 ARG 73 -16.817 15.769 -13.450 541 1HH2 ARG 73 1HH2 ARG 73 -14.562 17.604 -15.390 542 2HH2 ARG 73 2HH2 ARG 73 -16.232 17.261 -15.085 543 H ASN 74 H ASN 74 -12.817 9.603 -12.513 544 HA ASN 74 HA ASN 74 -12.193 7.860 -13.848 545 1HB ASN 74 1HB ASN 74 -14.551 8.477 -14.905 546 2HB ASN 74 2HB ASN 74 -13.552 9.011 -16.253 547 2HD2 ASN 74 2HD2 ASN 74 -13.209 6.296 -14.006 548 1HD2 ASN 74 1HD2 ASN 74 -13.194 5.068 -15.222 549 H LEU 75 H LEU 75 -10.513 9.991 -13.481 550 HA LEU 75 HA LEU 75 -9.370 11.133 -15.780 551 1HB LEU 75 1HB LEU 75 -8.667 10.648 -12.959 552 2HB LEU 75 2HB LEU 75 -7.318 10.926 -14.035 553 HG LEU 75 HG LEU 75 -9.668 12.779 -13.551 554 1HD1 LEU 75 1HD1 LEU 75 -6.772 12.965 -12.731 555 2HD1 LEU 75 2HD1 LEU 75 -7.955 14.261 -12.558 556 3HD1 LEU 75 3HD1 LEU 75 -8.165 12.752 -11.670 557 1HD2 LEU 75 1HD2 LEU 75 -7.903 12.624 -15.772 558 2HD2 LEU 75 2HD2 LEU 75 -9.152 13.824 -15.440 559 3HD2 LEU 75 3HD2 LEU 75 -7.508 14.079 -14.857 560 H CYS 76 H CYS 76 -8.680 8.356 -13.893 561 HA CYS 76 HA CYS 76 -6.492 7.435 -15.516 562 1HB CYS 76 1HB CYS 76 -7.087 7.294 -12.933 563 2HB CYS 76 2HB CYS 76 -7.798 5.776 -13.452 564 H ASN 77 H ASN 77 -9.887 6.867 -15.113 565 HA ASN 77 HA ASN 77 -11.398 5.489 -16.132 566 1HB ASN 77 1HB ASN 77 -10.439 6.849 -18.074 567 2HB ASN 77 2HB ASN 77 -9.467 5.431 -18.453 568 2HD2 ASN 77 2HD2 ASN 77 -11.038 6.224 -20.387 569 1HD2 ASN 77 1HD2 ASN 77 -12.433 5.216 -20.555 570 H ILE 78 H ILE 78 -10.125 4.080 -14.389 571 HA ILE 78 HA ILE 78 -9.254 1.647 -15.752 572 HB ILE 78 HB ILE 78 -7.431 1.686 -14.498 573 1HG1 ILE 78 1HG1 ILE 78 -9.252 0.599 -12.822 574 2HG1 ILE 78 2HG1 ILE 78 -7.552 0.784 -12.417 575 1HG2 ILE 78 1HG2 ILE 78 -8.718 4.058 -13.180 576 2HG2 ILE 78 2HG2 ILE 78 -7.058 3.547 -12.879 577 3HG2 ILE 78 3HG2 ILE 78 -7.544 4.058 -14.495 578 1HD1 ILE 78 1HD1 ILE 78 -9.447 2.984 -11.769 579 2HD1 ILE 78 2HD1 ILE 78 -9.406 1.543 -10.754 580 3HD1 ILE 78 3HD1 ILE 78 -7.949 2.513 -10.967 581 HA PRO 79 HA PRO 79 -12.705 -0.269 -13.682 582 1HB PRO 79 1HB PRO 79 -12.053 -2.869 -13.951 583 2HB PRO 79 2HB PRO 79 -12.532 -1.893 -15.344 584 1HG PRO 79 1HG PRO 79 -9.806 -2.738 -14.470 585 2HG PRO 79 2HG PRO 79 -10.471 -2.612 -16.108 586 1HD PRO 79 1HD PRO 79 -8.840 -0.723 -14.912 587 2HD PRO 79 2HD PRO 79 -9.935 -0.402 -16.271 588 H CYS 80 H CYS 80 -12.720 0.081 -11.495 589 HA CYS 80 HA CYS 80 -10.555 -0.431 -9.805 590 1HB CYS 80 1HB CYS 80 -13.394 0.328 -9.433 591 2HB CYS 80 2HB CYS 80 -12.571 -0.358 -8.034 592 H SER 81 H SER 81 -13.608 -2.304 -10.083 593 HA SER 81 HA SER 81 -12.958 -4.296 -8.279 594 1HB SER 81 1HB SER 81 -14.505 -5.743 -9.748 595 2HB SER 81 2HB SER 81 -15.178 -4.268 -9.055 596 HG SER 81 HG SER 81 -14.000 -4.189 -11.601 597 H ALA 82 H ALA 82 -11.842 -3.893 -11.582 598 HA ALA 82 HA ALA 82 -10.856 -6.552 -11.903 599 1HB ALA 82 1HB ALA 82 -10.709 -4.022 -13.411 600 2HB ALA 82 2HB ALA 82 -9.395 -5.167 -13.682 601 3HB ALA 82 3HB ALA 82 -11.066 -5.658 -13.964 602 H LEU 83 H LEU 83 -9.812 -3.956 -10.084 603 HA LEU 83 HA LEU 83 -7.006 -4.825 -10.085 604 1HB LEU 83 1HB LEU 83 -6.389 -2.739 -9.413 605 2HB LEU 83 2HB LEU 83 -7.876 -2.330 -10.246 606 HG LEU 83 HG LEU 83 -8.817 -2.742 -7.734 607 1HD1 LEU 83 1HD1 LEU 83 -6.359 -3.048 -7.055 608 2HD1 LEU 83 2HD1 LEU 83 -6.233 -1.302 -7.267 609 3HD1 LEU 83 3HD1 LEU 83 -7.364 -1.967 -6.089 610 1HD2 LEU 83 1HD2 LEU 83 -9.040 -0.786 -9.372 611 2HD2 LEU 83 2HD2 LEU 83 -9.139 -0.431 -7.647 612 3HD2 LEU 83 3HD2 LEU 83 -7.650 -0.097 -8.532 613 H LEU 84 H LEU 84 -9.850 -5.326 -8.436 614 HA LEU 84 HA LEU 84 -8.444 -5.967 -5.936 615 1HB LEU 84 1HB LEU 84 -11.414 -5.749 -6.107 616 2HB LEU 84 2HB LEU 84 -10.350 -5.433 -4.748 617 HG LEU 84 HG LEU 84 -10.166 -3.659 -7.131 618 1HD1 LEU 84 1HD1 LEU 84 -12.572 -3.844 -6.697 619 2HD1 LEU 84 2HD1 LEU 84 -12.294 -3.385 -5.016 620 3HD1 LEU 84 3HD1 LEU 84 -11.947 -2.240 -6.313 621 1HD2 LEU 84 1HD2 LEU 84 -8.747 -3.671 -4.923 622 2HD2 LEU 84 2HD2 LEU 84 -9.238 -2.155 -5.677 623 3HD2 LEU 84 3HD2 LEU 84 -10.129 -2.778 -4.288 624 H SER 85 H SER 85 -8.302 -7.709 -8.099 625 HA SER 85 HA SER 85 -9.890 -9.967 -7.094 626 1HB SER 85 1HB SER 85 -9.361 -10.764 -9.638 627 2HB SER 85 2HB SER 85 -10.847 -9.941 -9.165 628 HG SER 85 HG SER 85 -8.543 -8.517 -9.967 629 H SER 86 H SER 86 -7.440 -9.129 -6.200 630 HA SER 86 HA SER 86 -5.488 -10.036 -5.432 631 1HB SER 86 1HB SER 86 -6.685 -12.250 -5.536 632 2HB SER 86 2HB SER 86 -6.095 -12.433 -7.188 633 HG SER 86 HG SER 86 -4.429 -12.060 -4.922 634 H ASP 87 H ASP 87 -6.069 -8.586 -7.935 635 HA ASP 87 HA ASP 87 -3.540 -9.069 -9.351 636 1HB ASP 87 1HB ASP 87 -5.711 -9.723 -10.494 637 2HB ASP 87 2HB ASP 87 -6.094 -8.008 -10.531 638 H ILE 88 H ILE 88 -2.179 -7.381 -9.097 639 HA ILE 88 HA ILE 88 -3.272 -4.785 -8.357 640 HB ILE 88 HB ILE 88 -0.658 -4.277 -8.394 641 1HG1 ILE 88 1HG1 ILE 88 -0.487 -7.070 -7.396 642 2HG1 ILE 88 2HG1 ILE 88 -0.504 -6.853 -9.144 643 1HG2 ILE 88 1HG2 ILE 88 -2.231 -5.675 -6.249 644 2HG2 ILE 88 2HG2 ILE 88 -0.636 -4.973 -5.981 645 3HG2 ILE 88 3HG2 ILE 88 -1.982 -3.942 -6.463 646 1HD1 ILE 88 1HD1 ILE 88 1.335 -5.060 -7.760 647 2HD1 ILE 88 2HD1 ILE 88 1.709 -6.771 -7.555 648 3HD1 ILE 88 3HD1 ILE 88 1.588 -6.083 -9.174 649 H THR 89 H THR 89 -2.526 -6.375 -11.179 650 HA THR 89 HA THR 89 -1.097 -4.688 -12.770 651 HB THR 89 HB THR 89 -3.648 -5.932 -13.775 652 HG1 THR 89 HG1 THR 89 -2.275 -7.370 -12.393 653 1HG2 THR 89 1HG2 THR 89 -1.213 -4.830 -14.944 654 2HG2 THR 89 2HG2 THR 89 -1.597 -6.445 -15.540 655 3HG2 THR 89 3HG2 THR 89 -2.780 -5.147 -15.688 656 H ALA 90 H ALA 90 -4.634 -4.499 -12.298 657 HA ALA 90 HA ALA 90 -5.003 -2.201 -13.797 658 1HB ALA 90 1HB ALA 90 -6.596 -3.863 -12.059 659 2HB ALA 90 2HB ALA 90 -7.026 -2.158 -11.913 660 3HB ALA 90 3HB ALA 90 -7.070 -2.946 -13.490 661 H SER 91 H SER 91 -4.456 -2.610 -10.316 662 HA SER 91 HA SER 91 -4.755 0.108 -9.607 663 1HB SER 91 1HB SER 91 -2.864 -1.105 -7.869 664 2HB SER 91 2HB SER 91 -4.576 -0.808 -7.571 665 HG SER 91 HG SER 91 -3.697 -3.049 -9.048 666 H VAL 92 H VAL 92 -2.045 -1.752 -10.764 667 HA VAL 92 HA VAL 92 -0.149 0.311 -10.253 668 HB VAL 92 HB VAL 92 0.069 -2.122 -12.021 669 1HG1 VAL 92 1HG1 VAL 92 1.854 0.231 -11.693 670 2HG1 VAL 92 2HG1 VAL 92 2.617 -1.357 -11.761 671 3HG1 VAL 92 3HG1 VAL 92 1.602 -0.809 -13.094 672 1HG2 VAL 92 1HG2 VAL 92 1.162 -1.403 -9.306 673 2HG2 VAL 92 2HG2 VAL 92 0.070 -2.725 -9.719 674 3HG2 VAL 92 3HG2 VAL 92 1.749 -2.768 -10.256 675 H ASN 93 H ASN 93 -1.658 -0.880 -13.266 676 HA ASN 93 HA ASN 93 -0.578 0.754 -15.069 677 1HB ASN 93 1HB ASN 93 -2.102 -0.256 -16.307 678 2HB ASN 93 2HB ASN 93 -2.936 -0.747 -14.856 679 2HD2 ASN 93 2HD2 ASN 93 -4.848 0.156 -14.358 680 1HD2 ASN 93 1HD2 ASN 93 -5.596 1.424 -15.261 681 H CYS 94 H CYS 94 -3.148 1.540 -12.828 682 HA CYS 94 HA CYS 94 -3.614 4.171 -13.701 683 1HB CYS 94 1HB CYS 94 -4.986 2.702 -12.064 684 2HB CYS 94 2HB CYS 94 -3.909 3.348 -10.829 685 H ALA 95 H ALA 95 -1.506 2.901 -11.107 686 HA ALA 95 HA ALA 95 -0.513 5.483 -10.415 687 1HB ALA 95 1HB ALA 95 0.172 4.376 -8.658 688 2HB ALA 95 2HB ALA 95 1.399 3.589 -9.652 689 3HB ALA 95 3HB ALA 95 -0.185 2.838 -9.443 690 H LYS 96 H LYS 96 0.667 2.922 -12.563 691 HA LYS 96 HA LYS 96 3.181 3.837 -13.159 692 1HB LYS 96 1HB LYS 96 1.942 1.807 -14.136 693 2HB LYS 96 2HB LYS 96 1.250 2.929 -15.299 694 1HG LYS 96 1HG LYS 96 3.067 2.827 -16.556 695 2HG LYS 96 2HG LYS 96 4.093 3.272 -15.191 696 1HD LYS 96 1HD LYS 96 4.924 1.208 -15.216 697 2HD LYS 96 2HD LYS 96 3.330 0.607 -14.751 698 1HE LYS 96 1HE LYS 96 4.087 -0.543 -16.737 699 2HE LYS 96 2HE LYS 96 2.711 0.486 -17.132 700 1HZ LYS 96 1HZ LYS 96 4.353 2.173 -17.901 701 2HZ LYS 96 2HZ LYS 96 5.574 1.018 -17.703 702 3HZ LYS 96 3HZ LYS 96 4.334 0.756 -18.823 703 H LYS 97 H LYS 97 0.056 4.921 -13.995 704 HA LYS 97 HA LYS 97 0.905 7.071 -15.757 705 1HB LYS 97 1HB LYS 97 -1.530 5.698 -15.289 706 2HB LYS 97 2HB LYS 97 -1.807 7.383 -14.870 707 1HG LYS 97 1HG LYS 97 -2.166 7.735 -17.030 708 2HG LYS 97 2HG LYS 97 -0.430 7.519 -17.261 709 1HD LYS 97 1HD LYS 97 -1.749 4.966 -17.086 710 2HD LYS 97 2HD LYS 97 -2.500 5.964 -18.332 711 1HE LYS 97 1HE LYS 97 -0.249 6.382 -19.284 712 2HE LYS 97 2HE LYS 97 0.425 5.270 -18.093 713 1HZ LYS 97 1HZ LYS 97 -1.667 4.500 -20.050 714 2HZ LYS 97 2HZ LYS 97 -0.012 4.279 -20.317 715 3HZ LYS 97 3HZ LYS 97 -0.776 3.474 -19.041 716 H ILE 98 H ILE 98 -0.215 6.638 -12.444 717 HA ILE 98 HA ILE 98 -0.537 9.313 -11.746 718 HB ILE 98 HB ILE 98 0.316 7.018 -9.999 719 1HG1 ILE 98 1HG1 ILE 98 -2.384 8.357 -10.285 720 2HG1 ILE 98 2HG1 ILE 98 -1.936 6.875 -11.120 721 1HG2 ILE 98 1HG2 ILE 98 -0.547 9.817 -9.288 722 2HG2 ILE 98 2HG2 ILE 98 -0.498 8.484 -8.136 723 3HG2 ILE 98 3HG2 ILE 98 0.988 9.036 -8.908 724 1HD1 ILE 98 1HD1 ILE 98 -1.369 6.140 -8.619 725 2HD1 ILE 98 2HD1 ILE 98 -2.631 7.327 -8.291 726 3HD1 ILE 98 3HD1 ILE 98 -2.966 5.951 -9.342 727 H VAL 99 H VAL 99 2.288 7.219 -11.403 728 HA VAL 99 HA VAL 99 4.000 9.284 -10.469 729 HB VAL 99 HB VAL 99 4.199 6.702 -10.195 730 1HG1 VAL 99 1HG1 VAL 99 4.539 6.673 -12.843 731 2HG1 VAL 99 2HG1 VAL 99 6.222 6.852 -12.345 732 3HG1 VAL 99 3HG1 VAL 99 5.274 5.479 -11.772 733 1HG2 VAL 99 1HG2 VAL 99 6.355 8.745 -10.417 734 2HG2 VAL 99 2HG2 VAL 99 5.707 7.942 -8.988 735 3HG2 VAL 99 3HG2 VAL 99 6.782 7.068 -10.077 736 H SER 100 H SER 100 3.101 8.117 -13.630 737 HA SER 100 HA SER 100 5.336 9.406 -14.951 738 1HB SER 100 1HB SER 100 3.041 7.721 -15.776 739 2HB SER 100 2HB SER 100 3.599 8.896 -16.966 740 HG SER 100 HG SER 100 5.544 7.387 -15.673 741 H ASP 101 H ASP 101 2.524 10.398 -13.536 742 HA ASP 101 HA ASP 101 2.045 12.618 -15.383 743 1HB ASP 101 1HB ASP 101 0.186 11.152 -14.318 744 2HB ASP 101 2HB ASP 101 0.472 12.116 -12.873 745 H GLY 102 H GLY 102 3.990 11.996 -12.778 746 1HA GLY 102 1HA GLY 102 3.819 14.777 -11.805 747 2HA GLY 102 2HA GLY 102 5.358 14.080 -12.286 748 H ASN 103 H ASN 103 2.660 12.807 -10.340 749 HA ASN 103 HA ASN 103 3.888 13.060 -7.842 750 1HB ASN 103 1HB ASN 103 1.872 10.979 -8.714 751 2HB ASN 103 2HB ASN 103 2.229 11.444 -7.053 752 2HD2 ASN 103 2HD2 ASN 103 2.149 13.984 -6.840 753 1HD2 ASN 103 1HD2 ASN 103 0.690 14.689 -7.438 754 H GLY 104 H GLY 104 6.003 12.368 -7.810 755 1HA GLY 104 1HA GLY 104 7.765 10.839 -8.227 756 2HA GLY 104 2HA GLY 104 6.573 9.593 -8.548 757 H MET 105 H MET 105 5.169 9.073 -6.539 758 HA MET 105 HA MET 105 5.246 7.829 -4.618 759 1HB MET 105 1HB MET 105 8.026 8.897 -4.109 760 2HB MET 105 2HB MET 105 7.252 7.524 -3.332 761 1HG MET 105 1HG MET 105 8.426 7.741 -6.062 762 2HG MET 105 2HG MET 105 8.678 6.511 -4.825 763 1HE MET 105 1HE MET 105 6.312 5.741 -3.780 764 2HE MET 105 2HE MET 105 4.999 5.107 -4.774 765 3HE MET 105 3HE MET 105 6.518 4.219 -4.647 766 H ASN 106 H ASN 106 5.170 10.959 -5.150 767 HA ASN 106 HA ASN 106 5.192 11.890 -2.400 768 1HB ASN 106 1HB ASN 106 5.208 13.110 -5.100 769 2HB ASN 106 2HB ASN 106 4.423 14.026 -3.829 770 2HD2 ASN 106 2HD2 ASN 106 7.360 12.078 -4.223 771 1HD2 ASN 106 1HD2 ASN 106 8.422 13.213 -3.469 772 H ALA 107 H ALA 107 2.949 11.110 -4.969 773 HA ALA 107 HA ALA 107 0.656 12.393 -3.966 774 1HB ALA 107 1HB ALA 107 1.184 10.206 -5.886 775 2HB ALA 107 2HB ALA 107 -0.445 10.303 -5.217 776 3HB ALA 107 3HB ALA 107 0.238 11.682 -6.079 777 H TRP 108 H TRP 108 2.204 9.376 -3.169 778 HA TRP 108 HA TRP 108 0.015 8.554 -1.442 779 1HB TRP 108 1HB TRP 108 2.679 7.220 -1.975 780 2HB TRP 108 2HB TRP 108 1.312 6.508 -1.120 781 HD1 TRP 108 HD1 TRP 108 -0.785 5.717 -2.587 782 HE1 TRP 108 HE1 TRP 108 -1.039 5.209 -5.098 783 HE3 TRP 108 HE3 TRP 108 3.487 7.937 -4.303 784 HZ2 TRP 108 HZ2 TRP 108 0.381 5.690 -7.496 785 HZ3 TRP 108 HZ3 TRP 108 3.965 7.871 -6.715 786 HH2 TRP 108 HH2 TRP 108 2.445 6.770 -8.276 787 H VAL 109 H VAL 109 -0.115 9.151 0.582 788 HA VAL 109 HA VAL 109 1.878 10.690 1.880 789 HB VAL 109 HB VAL 109 -0.144 9.520 3.565 790 1HG1 VAL 109 1HG1 VAL 109 1.403 11.480 4.044 791 2HG1 VAL 109 2HG1 VAL 109 0.339 12.417 2.995 792 3HG1 VAL 109 3HG1 VAL 109 -0.299 11.678 4.465 793 1HG2 VAL 109 1HG2 VAL 109 -0.942 11.220 1.218 794 2HG2 VAL 109 2HG2 VAL 109 -1.467 9.571 1.561 795 3HG2 VAL 109 3HG2 VAL 109 -1.977 10.895 2.608 796 H ALA 110 H ALA 110 1.232 7.291 1.865 797 HA ALA 110 HA ALA 110 2.431 6.706 4.376 798 1HB ALA 110 1HB ALA 110 1.471 5.160 2.056 799 2HB ALA 110 2HB ALA 110 1.231 4.886 3.782 800 3HB ALA 110 3HB ALA 110 2.742 4.398 3.014 801 H TRP 111 H TRP 111 3.645 7.323 1.199 802 HA TRP 111 HA TRP 111 6.262 6.251 1.788 803 1HB TRP 111 1HB TRP 111 5.408 6.189 -0.521 804 2HB TRP 111 2HB TRP 111 5.360 7.944 -0.552 805 HD1 TRP 111 HD1 TRP 111 7.716 5.016 -0.935 806 HE1 TRP 111 HE1 TRP 111 10.038 5.874 -1.643 807 HE3 TRP 111 HE3 TRP 111 6.973 10.033 -0.272 808 HZ2 TRP 111 HZ2 TRP 111 11.376 8.345 -1.890 809 HZ3 TRP 111 HZ3 TRP 111 8.825 11.575 -0.767 810 HH2 TRP 111 HH2 TRP 111 10.981 10.746 -1.559 811 H ARG 112 H ARG 112 4.651 9.415 1.756 812 HA ARG 112 HA ARG 112 7.148 10.739 2.453 813 1HB ARG 112 1HB ARG 112 4.460 11.559 1.548 814 2HB ARG 112 2HB ARG 112 5.277 12.658 2.650 815 1HG ARG 112 1HG ARG 112 6.834 11.654 0.341 816 2HG ARG 112 2HG ARG 112 5.545 12.813 0.011 817 1HD ARG 112 1HD ARG 112 6.829 13.889 2.201 818 2HD ARG 112 2HD ARG 112 8.150 13.214 1.247 819 HE ARG 112 HE ARG 112 6.678 14.577 -0.577 820 1HH1 ARG 112 1HH1 ARG 112 8.098 15.421 2.490 821 2HH1 ARG 112 2HH1 ARG 112 8.348 17.082 2.064 822 1HH2 ARG 112 1HH2 ARG 112 7.004 16.761 -1.148 823 2HH2 ARG 112 2HH2 ARG 112 7.725 17.843 -0.004 824 H ASN 113 H ASN 113 6.492 8.909 4.323 825 HA ASN 113 HA ASN 113 6.079 10.566 6.649 826 1HB ASN 113 1HB ASN 113 3.785 9.668 5.815 827 2HB ASN 113 2HB ASN 113 4.337 8.124 6.455 828 2HD2 ASN 113 2HD2 ASN 113 2.405 10.534 7.174 829 1HD2 ASN 113 1HD2 ASN 113 2.578 10.612 8.891 830 H ARG 114 H ARG 114 6.104 7.139 5.701 831 HA ARG 114 HA ARG 114 8.115 6.657 7.794 832 1HB ARG 114 1HB ARG 114 5.859 5.064 6.713 833 2HB ARG 114 2HB ARG 114 7.302 4.184 7.189 834 1HG ARG 114 1HG ARG 114 6.132 4.135 9.144 835 2HG ARG 114 2HG ARG 114 7.057 5.619 9.379 836 1HD ARG 114 1HD ARG 114 5.193 6.819 9.511 837 2HD ARG 114 2HD ARG 114 4.632 6.193 7.960 838 HE ARG 114 HE ARG 114 3.806 4.231 9.321 839 1HH1 ARG 114 1HH1 ARG 114 4.115 7.436 10.650 840 2HH1 ARG 114 2HH1 ARG 114 2.876 7.204 11.837 841 1HH2 ARG 114 1HH2 ARG 114 2.172 3.916 10.880 842 2HH2 ARG 114 2HH2 ARG 114 1.771 5.202 11.968 843 H CYS 115 H CYS 115 8.147 7.304 4.651 844 HA CYS 115 HA CYS 115 10.205 5.277 4.063 845 1HB CYS 115 1HB CYS 115 8.474 6.759 2.082 846 2HB CYS 115 2HB CYS 115 9.677 5.535 1.696 847 H LYS 116 H LYS 116 9.298 8.651 3.272 848 HA LYS 116 HA LYS 116 11.835 9.336 2.253 849 1HB LYS 116 1HB LYS 116 9.548 10.547 2.015 850 2HB LYS 116 2HB LYS 116 9.989 11.334 3.524 851 1HG LYS 116 1HG LYS 116 12.230 11.542 1.846 852 2HG LYS 116 2HG LYS 116 10.822 11.935 0.857 853 1HD LYS 116 1HD LYS 116 10.987 13.985 1.738 854 2HD LYS 116 2HD LYS 116 10.304 13.269 3.199 855 1HE LYS 116 1HE LYS 116 12.210 13.533 4.324 856 2HE LYS 116 2HE LYS 116 13.160 12.828 3.017 857 1HZ LYS 116 1HZ LYS 116 12.238 15.437 2.349 858 2HZ LYS 116 2HZ LYS 116 13.133 15.460 3.784 859 3HZ LYS 116 3HZ LYS 116 13.817 14.832 2.371 860 H GLY 117 H GLY 117 13.355 8.550 3.767 861 1HA GLY 117 1HA GLY 117 13.376 9.823 6.406 862 2HA GLY 117 2HA GLY 117 14.735 10.132 5.337 863 H THR 118 H THR 118 13.614 7.052 4.725 864 HA THR 118 HA THR 118 15.550 5.886 6.614 865 HB THR 118 HB THR 118 14.204 3.785 6.465 866 HG1 THR 118 HG1 THR 118 11.863 4.677 5.760 867 1HG2 THR 118 1HG2 THR 118 12.889 6.277 7.538 868 2HG2 THR 118 2HG2 THR 118 12.286 4.651 7.859 869 3HG2 THR 118 3HG2 THR 118 13.894 5.120 8.412 870 H ASP 119 H ASP 119 15.076 3.257 5.218 871 HA ASP 119 HA ASP 119 16.494 3.791 2.715 872 1HB ASP 119 1HB ASP 119 17.870 2.974 4.766 873 2HB ASP 119 2HB ASP 119 17.232 1.427 4.262 874 H VAL 120 H VAL 120 14.984 3.259 1.257 875 HA VAL 120 HA VAL 120 13.199 1.052 1.585 876 HB VAL 120 HB VAL 120 12.576 1.544 -0.802 877 1HG1 VAL 120 1HG1 VAL 120 11.442 2.564 1.150 878 2HG1 VAL 120 2HG1 VAL 120 12.535 3.942 1.025 879 3HG1 VAL 120 3HG1 VAL 120 11.411 3.586 -0.287 880 1HG2 VAL 120 1HG2 VAL 120 14.910 3.336 -0.514 881 2HG2 VAL 120 2HG2 VAL 120 14.284 2.505 -1.938 882 3HG2 VAL 120 3HG2 VAL 120 13.515 3.988 -1.374 883 H GLN 121 H GLN 121 16.271 1.618 0.032 884 HA GLN 121 HA GLN 121 16.339 -0.602 -1.686 885 1HB GLN 121 1HB GLN 121 18.042 1.449 -1.172 886 2HB GLN 121 2HB GLN 121 18.868 0.141 -0.336 887 1HG GLN 121 1HG GLN 121 18.633 -1.173 -2.502 888 2HG GLN 121 2HG GLN 121 18.199 0.364 -3.249 889 2HE2 GLN 121 2HE2 GLN 121 20.665 -1.684 -2.803 890 1HE2 GLN 121 1HE2 GLN 121 21.999 -0.589 -2.872 891 H ALA 122 H ALA 122 16.549 -0.271 1.714 892 HA ALA 122 HA ALA 122 17.658 -2.930 2.131 893 1HB ALA 122 1HB ALA 122 18.065 -0.742 3.549 894 2HB ALA 122 2HB ALA 122 18.013 -2.331 4.313 895 3HB ALA 122 3HB ALA 122 16.599 -1.278 4.370 896 H TRP 123 H TRP 123 14.616 -1.337 1.886 897 HA TRP 123 HA TRP 123 13.032 -3.043 3.484 898 1HB TRP 123 1HB TRP 123 12.513 -1.146 1.253 899 2HB TRP 123 2HB TRP 123 11.257 -2.323 1.617 900 HD1 TRP 123 HD1 TRP 123 11.514 1.028 2.198 901 HE1 TRP 123 HE1 TRP 123 10.700 1.801 4.515 902 HE3 TRP 123 HE3 TRP 123 11.647 -3.426 4.675 903 HZ2 TRP 123 HZ2 TRP 123 10.195 0.638 7.026 904 HZ3 TRP 123 HZ3 TRP 123 10.986 -3.519 7.023 905 HH2 TRP 123 HH2 TRP 123 10.267 -1.503 8.187 906 H ILE 124 H ILE 124 14.644 -3.579 0.535 907 HA ILE 124 HA ILE 124 13.166 -6.102 0.163 908 HB ILE 124 HB ILE 124 13.795 -5.931 -2.272 909 1HG1 ILE 124 1HG1 ILE 124 13.940 -2.993 -2.090 910 2HG1 ILE 124 2HG1 ILE 124 15.356 -3.839 -1.473 911 1HG2 ILE 124 1HG2 ILE 124 11.650 -4.793 -0.838 912 2HG2 ILE 124 2HG2 ILE 124 12.056 -3.674 -2.140 913 3HG2 ILE 124 3HG2 ILE 124 11.668 -5.354 -2.511 914 1HD1 ILE 124 1HD1 ILE 124 15.025 -5.138 -3.795 915 2HD1 ILE 124 2HD1 ILE 124 14.363 -3.561 -4.227 916 3HD1 ILE 124 3HD1 ILE 124 16.012 -3.687 -3.615 917 H ARG 125 H ARG 125 15.806 -5.082 1.449 918 HA ARG 125 HA ARG 125 17.949 -6.270 0.057 919 1HB ARG 125 1HB ARG 125 17.671 -4.745 2.350 920 2HB ARG 125 2HB ARG 125 18.245 -6.291 2.961 921 1HG ARG 125 1HG ARG 125 19.710 -5.368 0.619 922 2HG ARG 125 2HG ARG 125 19.811 -4.266 1.993 923 1HD ARG 125 1HD ARG 125 21.448 -5.598 2.729 924 2HD ARG 125 2HD ARG 125 20.159 -6.720 3.167 925 HE ARG 125 HE ARG 125 20.566 -7.535 0.727 926 1HH1 ARG 125 1HH1 ARG 125 22.968 -6.484 3.023 927 2HH1 ARG 125 2HH1 ARG 125 24.218 -7.490 2.369 928 1HH2 ARG 125 1HH2 ARG 125 22.206 -8.861 -0.140 929 2HH2 ARG 125 2HH2 ARG 125 23.785 -8.840 0.572 930 H GLY 126 H GLY 126 17.608 -8.350 -0.594 931 1HA GLY 126 1HA GLY 126 17.294 -10.336 1.570 932 2HA GLY 126 2HA GLY 126 18.254 -10.602 0.122 933 H CYS 127 H CYS 127 15.543 -8.957 -0.802 934 HA CYS 127 HA CYS 127 13.533 -10.877 -0.795 935 1HB CYS 127 1HB CYS 127 14.067 -8.410 -2.243 936 2HB CYS 127 2HB CYS 127 12.877 -9.475 -2.962 937 H ARG 128 H ARG 128 13.287 -12.725 -1.862 938 HA ARG 128 HA ARG 128 15.186 -13.447 -3.925 939 1HB ARG 128 1HB ARG 128 13.330 -14.854 -2.143 940 2HB ARG 128 2HB ARG 128 13.401 -15.533 -3.764 941 1HG ARG 128 1HG ARG 128 15.944 -14.936 -2.332 942 2HG ARG 128 2HG ARG 128 15.014 -16.370 -1.889 943 1HD ARG 128 1HD ARG 128 15.006 -16.971 -4.341 944 2HD ARG 128 2HD ARG 128 16.182 -15.678 -4.576 945 HE ARG 128 HE ARG 128 17.147 -17.313 -2.547 946 1HH1 ARG 128 1HH1 ARG 128 16.404 -17.547 -5.944 947 2HH1 ARG 128 2HH1 ARG 128 17.601 -18.762 -6.252 948 1HH2 ARG 128 1HH2 ARG 128 18.724 -18.911 -2.945 949 2HH2 ARG 128 2HH2 ARG 128 18.919 -19.538 -4.549 950 H LEU 129 H LEU 129 14.683 -12.265 -5.737 951 HA LEU 129 HA LEU 129 12.398 -13.197 -7.246 952 1HB LEU 129 1HB LEU 129 11.458 -11.029 -7.688 953 2HB LEU 129 2HB LEU 129 11.496 -11.294 -5.955 954 HG LEU 129 HG LEU 129 13.885 -9.984 -6.455 955 1HD1 LEU 129 1HD1 LEU 129 12.917 -9.553 -8.763 956 2HD1 LEU 129 2HD1 LEU 129 11.744 -8.509 -7.959 957 3HD1 LEU 129 3HD1 LEU 129 13.466 -8.145 -7.854 958 1HD2 LEU 129 1HD2 LEU 129 11.403 -9.554 -5.069 959 2HD2 LEU 129 2HD2 LEU 129 13.026 -8.999 -4.659 960 3HD2 LEU 129 3HD2 LEU 129 12.010 -8.037 -5.732 No H/Q in entry = 960 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -6.954 -9.721 2.408 2 H2 LYS 1 H2 LYS 1 -7.945 -10.419 1.229 3 H3 LYS 1 H3 LYS 1 -7.577 -11.276 2.640 4 HA LYS 1 HA LYS 1 -5.587 -11.946 1.917 5 1HB LYS 1 1HB LYS 1 -7.524 -11.803 -0.109 6 2HB LYS 1 2HB LYS 1 -6.025 -11.284 -0.867 7 1HG LYS 1 1HG LYS 1 -5.053 -13.326 -0.674 8 2HG LYS 1 2HG LYS 1 -5.928 -13.725 0.806 9 1HD LYS 1 1HD LYS 1 -7.322 -14.956 -0.413 10 2HD LYS 1 2HD LYS 1 -7.871 -13.478 -1.206 11 1HE LYS 1 1HE LYS 1 -7.127 -14.424 -3.091 12 2HE LYS 1 2HE LYS 1 -5.519 -14.002 -2.505 13 1HZ LYS 1 1HZ LYS 1 -6.207 -16.397 -1.292 14 2HZ LYS 1 2HZ LYS 1 -6.633 -16.562 -2.920 15 3HZ LYS 1 3HZ LYS 1 -5.048 -16.152 -2.499 16 H VAL 2 H VAL 2 -3.883 -10.744 2.571 17 HA VAL 2 HA VAL 2 -3.205 -8.299 1.101 18 HB VAL 2 HB VAL 2 -2.227 -9.412 3.733 19 1HG1 VAL 2 1HG1 VAL 2 -0.617 -8.006 2.059 20 2HG1 VAL 2 2HG1 VAL 2 -1.379 -6.705 2.971 21 3HG1 VAL 2 3HG1 VAL 2 -0.496 -7.974 3.818 22 1HG2 VAL 2 1HG2 VAL 2 -4.260 -7.508 2.937 23 2HG2 VAL 2 2HG2 VAL 2 -3.981 -8.274 4.501 24 3HG2 VAL 2 3HG2 VAL 2 -3.100 -6.808 4.067 25 H PHE 3 H PHE 3 -1.184 -8.011 0.100 26 HA PHE 3 HA PHE 3 0.078 -10.384 -0.890 27 1HB PHE 3 1HB PHE 3 0.674 -7.435 -1.190 28 2HB PHE 3 2HB PHE 3 1.688 -8.681 -1.900 29 HD1 PHE 3 HD1 PHE 3 -0.024 -10.564 -3.102 30 HD2 PHE 3 HD2 PHE 3 -0.562 -6.362 -2.745 31 HE1 PHE 3 HE1 PHE 3 -1.442 -10.578 -5.109 32 HE2 PHE 3 HE2 PHE 3 -1.984 -6.366 -4.744 33 HZ PHE 3 HZ PHE 3 -2.427 -8.477 -5.934 34 H GLY 4 H GLY 4 2.467 -10.628 -0.760 35 1HA GLY 4 1HA GLY 4 4.152 -11.261 0.733 36 2HA GLY 4 2HA GLY 4 3.327 -10.363 2.004 37 H ARG 5 H ARG 5 6.140 -10.255 1.449 38 HA ARG 5 HA ARG 5 6.358 -7.384 1.005 39 1HB ARG 5 1HB ARG 5 8.462 -9.361 1.906 40 2HB ARG 5 2HB ARG 5 8.630 -7.610 1.889 41 1HG ARG 5 1HG ARG 5 7.068 -7.344 3.636 42 2HG ARG 5 2HG ARG 5 6.518 -9.015 3.497 43 1HD ARG 5 1HD ARG 5 9.031 -9.552 4.028 44 2HD ARG 5 2HD ARG 5 9.015 -7.927 4.712 45 HE ARG 5 HE ARG 5 7.120 -10.013 5.575 46 1HH1 ARG 5 1HH1 ARG 5 9.436 -7.504 6.270 47 2HH1 ARG 5 2HH1 ARG 5 9.192 -7.574 7.982 48 1HH2 ARG 5 1HH2 ARG 5 6.791 -10.112 7.829 49 2HH2 ARG 5 2HH2 ARG 5 7.689 -9.057 8.869 50 H CYS 6 H CYS 6 8.059 -10.309 -0.130 51 HA CYS 6 HA CYS 6 9.110 -8.790 -2.355 52 1HB CYS 6 1HB CYS 6 9.409 -11.756 -2.066 53 2HB CYS 6 2HB CYS 6 10.481 -10.586 -2.829 54 H GLU 7 H GLU 7 6.666 -11.263 -1.773 55 HA GLU 7 HA GLU 7 6.109 -12.114 -4.329 56 1HB GLU 7 1HB GLU 7 4.791 -12.205 -1.864 57 2HB GLU 7 2HB GLU 7 3.648 -11.415 -2.941 58 1HG GLU 7 1HG GLU 7 3.052 -13.409 -3.680 59 2HG GLU 7 2HG GLU 7 4.659 -13.585 -4.383 60 H LEU 8 H LEU 8 4.853 -9.239 -2.704 61 HA LEU 8 HA LEU 8 3.519 -8.151 -4.932 62 1HB LEU 8 1HB LEU 8 3.070 -7.497 -2.599 63 2HB LEU 8 2HB LEU 8 4.658 -6.765 -2.499 64 HG LEU 8 HG LEU 8 2.543 -5.285 -2.891 65 1HD1 LEU 8 1HD1 LEU 8 4.959 -4.599 -2.891 66 2HD1 LEU 8 2HD1 LEU 8 4.940 -4.813 -4.641 67 3HD1 LEU 8 3HD1 LEU 8 3.888 -3.615 -3.888 68 1HD2 LEU 8 1HD2 LEU 8 1.859 -6.677 -4.893 69 2HD2 LEU 8 2HD2 LEU 8 1.880 -4.929 -5.123 70 3HD2 LEU 8 3HD2 LEU 8 3.196 -5.917 -5.755 71 H ALA 9 H ALA 9 6.813 -7.714 -3.640 72 HA ALA 9 HA ALA 9 7.573 -5.618 -5.358 73 1HB ALA 9 1HB ALA 9 8.837 -7.236 -3.404 74 2HB ALA 9 2HB ALA 9 9.856 -7.194 -4.843 75 3HB ALA 9 3HB ALA 9 9.359 -5.688 -4.071 76 H ALA 10 H ALA 10 8.151 -9.129 -5.708 77 HA ALA 10 HA ALA 10 9.478 -9.109 -8.118 78 1HB ALA 10 1HB ALA 10 8.220 -11.375 -8.451 79 2HB ALA 10 2HB ALA 10 9.380 -11.200 -7.135 80 3HB ALA 10 3HB ALA 10 7.651 -11.082 -6.808 81 H ALA 11 H ALA 11 6.038 -8.846 -7.424 82 HA ALA 11 HA ALA 11 5.157 -9.004 -10.094 83 1HB ALA 11 1HB ALA 11 3.926 -7.932 -7.594 84 2HB ALA 11 2HB ALA 11 3.479 -9.368 -8.515 85 3HB ALA 11 3HB ALA 11 3.116 -7.764 -9.151 86 H MET 12 H MET 12 6.221 -6.457 -8.076 87 HA MET 12 HA MET 12 5.526 -4.244 -9.677 88 1HB MET 12 1HB MET 12 8.042 -4.347 -8.040 89 2HB MET 12 2HB MET 12 7.038 -2.961 -8.385 90 1HG MET 12 1HG MET 12 6.166 -5.276 -6.694 91 2HG MET 12 2HG MET 12 6.866 -3.789 -6.061 92 1HE MET 12 1HE MET 12 5.955 -1.781 -7.967 93 2HE MET 12 2HE MET 12 4.268 -1.297 -7.809 94 3HE MET 12 3HE MET 12 5.340 -1.217 -6.414 95 H LYS 13 H LYS 13 8.565 -6.076 -9.481 96 HA LYS 13 HA LYS 13 10.038 -4.732 -11.390 97 1HB LYS 13 1HB LYS 13 10.455 -6.941 -9.859 98 2HB LYS 13 2HB LYS 13 10.303 -7.673 -11.450 99 1HG LYS 13 1HG LYS 13 11.999 -5.424 -11.708 100 2HG LYS 13 2HG LYS 13 12.537 -6.348 -10.304 101 1HD LYS 13 1HD LYS 13 12.386 -8.403 -11.806 102 2HD LYS 13 2HD LYS 13 12.252 -7.269 -13.152 103 1HE LYS 13 1HE LYS 13 14.387 -6.204 -12.190 104 2HE LYS 13 2HE LYS 13 14.550 -7.701 -11.271 105 1HZ LYS 13 1HZ LYS 13 14.022 -8.397 -13.915 106 2HZ LYS 13 2HZ LYS 13 15.225 -7.209 -13.957 107 3HZ LYS 13 3HZ LYS 13 15.461 -8.617 -13.050 108 H ARG 14 H ARG 14 7.837 -7.478 -11.841 109 HA ARG 14 HA ARG 14 8.131 -7.673 -14.629 110 1HB ARG 14 1HB ARG 14 6.622 -8.960 -12.613 111 2HB ARG 14 2HB ARG 14 5.469 -8.397 -13.815 112 1HG ARG 14 1HG ARG 14 7.346 -9.483 -15.418 113 2HG ARG 14 2HG ARG 14 7.510 -10.504 -13.988 114 1HD ARG 14 1HD ARG 14 5.411 -11.377 -14.201 115 2HD ARG 14 2HD ARG 14 4.770 -9.930 -14.980 116 HE ARG 14 HE ARG 14 6.072 -12.179 -16.264 117 1HH1 ARG 14 1HH1 ARG 14 4.953 -8.891 -16.547 118 2HH1 ARG 14 2HH1 ARG 14 4.889 -8.926 -18.276 119 1HH2 ARG 14 1HH2 ARG 14 5.991 -12.233 -18.543 120 2HH2 ARG 14 2HH2 ARG 14 5.478 -10.825 -19.411 121 H HIS 15 H HIS 15 5.961 -5.782 -12.575 122 HA HIS 15 HA HIS 15 4.415 -4.778 -14.742 123 1HB HIS 15 1HB HIS 15 4.613 -4.246 -11.812 124 2HB HIS 15 2HB HIS 15 3.789 -3.066 -12.827 125 HD1 HIS 15 HD1 HIS 15 2.309 -4.734 -10.662 126 HD2 HIS 15 HD2 HIS 15 2.494 -5.715 -14.696 127 HE1 HIS 15 HE1 HIS 15 0.311 -6.199 -11.089 128 HE2 HIS 15 HE2 HIS 15 0.493 -6.853 -13.516 129 H GLY 16 H GLY 16 7.585 -4.093 -13.899 130 1HA GLY 16 1HA GLY 16 7.589 -1.819 -15.590 131 2HA GLY 16 2HA GLY 16 8.966 -2.528 -14.776 132 H LEU 17 H LEU 17 7.527 -2.098 -12.049 133 HA LEU 17 HA LEU 17 7.564 0.806 -12.021 134 1HB LEU 17 1HB LEU 17 7.193 -0.875 -9.577 135 2HB LEU 17 2HB LEU 17 6.602 0.742 -9.893 136 HG LEU 17 HG LEU 17 5.415 -1.872 -10.548 137 1HD1 LEU 17 1HD1 LEU 17 4.745 0.379 -9.081 138 2HD1 LEU 17 2HD1 LEU 17 3.704 0.469 -10.502 139 3HD1 LEU 17 3HD1 LEU 17 3.679 -0.968 -9.480 140 1HD2 LEU 17 1HD2 LEU 17 5.367 0.434 -12.479 141 2HD2 LEU 17 2HD2 LEU 17 5.683 -1.271 -12.806 142 3HD2 LEU 17 3HD2 LEU 17 4.053 -0.738 -12.394 143 H ASP 18 H ASP 18 9.775 -1.549 -11.801 144 HA ASP 18 HA ASP 18 11.395 -0.524 -9.678 145 1HB ASP 18 1HB ASP 18 11.908 -2.731 -10.008 146 2HB ASP 18 2HB ASP 18 11.710 -2.636 -11.746 147 H ASN 19 H ASN 19 11.855 1.553 -9.942 148 HA ASN 19 HA ASN 19 12.925 3.429 -10.616 149 1HB ASN 19 1HB ASN 19 14.770 1.505 -10.941 150 2HB ASN 19 2HB ASN 19 14.603 2.004 -12.621 151 2HD2 ASN 19 2HD2 ASN 19 16.115 2.610 -9.712 152 1HD2 ASN 19 1HD2 ASN 19 16.759 4.173 -10.067 153 H TYR 20 H TYR 20 10.565 2.595 -11.923 154 HA TYR 20 HA TYR 20 10.736 3.074 -14.725 155 1HB TYR 20 1HB TYR 20 8.771 1.990 -13.611 156 2HB TYR 20 2HB TYR 20 8.378 3.535 -12.867 157 HD1 TYR 20 HD1 TYR 20 8.935 2.017 -16.236 158 HD2 TYR 20 HD2 TYR 20 6.864 4.929 -13.925 159 HE1 TYR 20 HE1 TYR 20 7.589 2.617 -18.205 160 HE2 TYR 20 HE2 TYR 20 5.513 5.535 -15.887 161 HH TYR 20 HH TYR 20 6.069 5.247 -18.665 162 H ARG 21 H ARG 21 9.680 5.124 -15.701 163 HA ARG 21 HA ARG 21 11.040 7.327 -15.522 164 1HB ARG 21 1HB ARG 21 8.018 7.346 -15.449 165 2HB ARG 21 2HB ARG 21 9.017 8.714 -15.918 166 1HG ARG 21 1HG ARG 21 9.452 6.168 -17.363 167 2HG ARG 21 2HG ARG 21 7.951 7.040 -17.683 168 1HD ARG 21 1HD ARG 21 9.038 8.853 -18.587 169 2HD ARG 21 2HD ARG 21 10.526 8.542 -17.693 170 HE ARG 21 HE ARG 21 10.148 6.433 -19.475 171 1HH1 ARG 21 1HH1 ARG 21 10.774 9.859 -19.564 172 2HH1 ARG 21 2HH1 ARG 21 11.631 9.794 -21.067 173 1HH2 ARG 21 1HH2 ARG 21 11.274 6.338 -21.455 174 2HH2 ARG 21 2HH2 ARG 21 11.914 7.793 -22.143 175 H GLY 22 H GLY 22 8.701 6.380 -13.096 176 1HA GLY 22 1HA GLY 22 8.178 7.263 -11.029 177 2HA GLY 22 2HA GLY 22 9.095 8.701 -11.449 178 H TYR 23 H TYR 23 9.100 5.722 -9.746 179 HA TYR 23 HA TYR 23 11.939 6.108 -9.100 180 1HB TYR 23 1HB TYR 23 9.630 5.842 -7.202 181 2HB TYR 23 2HB TYR 23 11.280 5.490 -6.700 182 HD1 TYR 23 HD1 TYR 23 9.320 8.175 -8.401 183 HD2 TYR 23 HD2 TYR 23 12.536 7.214 -5.790 184 HE1 TYR 23 HE1 TYR 23 9.687 10.568 -7.989 185 HE2 TYR 23 HE2 TYR 23 12.913 9.605 -5.369 186 HH TYR 23 HH TYR 23 10.711 11.981 -6.135 187 H SER 24 H SER 24 12.650 4.319 -7.475 188 HA SER 24 HA SER 24 12.494 1.866 -8.965 189 1HB SER 24 1HB SER 24 14.313 1.115 -7.537 190 2HB SER 24 2HB SER 24 14.649 2.739 -8.135 191 HG SER 24 HG SER 24 14.105 3.570 -6.148 192 H LEU 25 H LEU 25 12.393 -0.203 -7.833 193 HA LEU 25 HA LEU 25 9.991 -0.846 -6.827 194 1HB LEU 25 1HB LEU 25 12.648 -2.035 -6.820 195 2HB LEU 25 2HB LEU 25 11.656 -2.591 -5.485 196 HG LEU 25 HG LEU 25 10.453 -2.597 -8.195 197 1HD1 LEU 25 1HD1 LEU 25 12.880 -3.571 -8.185 198 2HD1 LEU 25 2HD1 LEU 25 12.111 -4.934 -7.374 199 3HD1 LEU 25 3HD1 LEU 25 11.571 -4.444 -8.979 200 1HD2 LEU 25 1HD2 LEU 25 10.323 -4.400 -5.782 201 2HD2 LEU 25 2HD2 LEU 25 9.099 -3.248 -6.315 202 3HD2 LEU 25 3HD2 LEU 25 9.448 -4.678 -7.287 203 H GLY 26 H GLY 26 12.838 -0.289 -4.727 204 1HA GLY 26 1HA GLY 26 12.958 0.630 -2.617 205 2HA GLY 26 2HA GLY 26 11.791 -0.630 -2.264 206 H ASN 27 H ASN 27 11.256 2.232 -4.272 207 HA ASN 27 HA ASN 27 9.942 3.730 -2.242 208 1HB ASN 27 1HB ASN 27 9.921 3.980 -5.252 209 2HB ASN 27 2HB ASN 27 9.144 5.133 -4.172 210 2HD2 ASN 27 2HD2 ASN 27 12.213 3.727 -5.116 211 1HD2 ASN 27 1HD2 ASN 27 13.197 5.034 -4.560 212 H TRP 28 H TRP 28 8.859 1.486 -4.702 213 HA TRP 28 HA TRP 28 6.072 1.990 -4.393 214 1HB TRP 28 1HB TRP 28 7.529 -0.366 -5.580 215 2HB TRP 28 2HB TRP 28 5.796 -0.069 -5.716 216 HD1 TRP 28 HD1 TRP 28 9.101 0.920 -7.188 217 HE1 TRP 28 HE1 TRP 28 8.733 2.587 -9.102 218 HE3 TRP 28 HE3 TRP 28 4.134 1.842 -6.491 219 HZ2 TRP 28 HZ2 TRP 28 6.601 4.083 -10.204 220 HZ3 TRP 28 HZ3 TRP 28 2.984 3.392 -8.012 221 HH2 TRP 28 HH2 TRP 28 4.197 4.496 -9.837 222 H VAL 29 H VAL 29 8.282 -0.487 -3.087 223 HA VAL 29 HA VAL 29 6.275 -1.982 -1.806 224 HB VAL 29 HB VAL 29 9.224 -1.772 -1.191 225 1HG1 VAL 29 1HG1 VAL 29 7.093 -3.626 -0.190 226 2HG1 VAL 29 2HG1 VAL 29 8.782 -4.126 -0.257 227 3HG1 VAL 29 3HG1 VAL 29 8.313 -2.736 0.722 228 1HG2 VAL 29 1HG2 VAL 29 8.148 -2.642 -3.497 229 2HG2 VAL 29 2HG2 VAL 29 9.637 -3.291 -2.810 230 3HG2 VAL 29 3HG2 VAL 29 8.109 -4.136 -2.560 231 H CYS 30 H CYS 30 8.556 0.439 -0.541 232 HA CYS 30 HA CYS 30 7.648 0.344 2.103 233 1HB CYS 30 1HB CYS 30 9.769 1.391 1.435 234 2HB CYS 30 2HB CYS 30 8.877 2.682 0.635 235 H ALA 31 H ALA 31 6.642 2.453 -0.596 236 HA ALA 31 HA ALA 31 4.863 4.037 0.890 237 1HB ALA 31 1HB ALA 31 4.608 3.360 -2.032 238 2HB ALA 31 2HB ALA 31 4.027 4.804 -1.201 239 3HB ALA 31 3HB ALA 31 5.759 4.536 -1.396 240 H ALA 32 H ALA 32 4.310 1.107 -1.044 241 HA ALA 32 HA ALA 32 1.513 1.021 -0.600 242 1HB ALA 32 1HB ALA 32 1.945 -0.271 -2.391 243 2HB ALA 32 2HB ALA 32 2.102 -1.544 -1.182 244 3HB ALA 32 3HB ALA 32 3.541 -0.737 -1.805 245 H LYS 33 H LYS 33 4.227 -0.699 0.935 246 HA LYS 33 HA LYS 33 2.895 -2.405 2.593 247 1HB LYS 33 1HB LYS 33 5.354 -2.280 2.341 248 2HB LYS 33 2HB LYS 33 5.359 -0.815 3.312 249 1HG LYS 33 1HG LYS 33 4.606 -2.012 5.242 250 2HG LYS 33 2HG LYS 33 4.358 -3.478 4.291 251 1HD LYS 33 1HD LYS 33 6.835 -3.386 3.761 252 2HD LYS 33 2HD LYS 33 6.959 -2.144 5.008 253 1HE LYS 33 1HE LYS 33 7.244 -3.817 6.454 254 2HE LYS 33 2HE LYS 33 5.524 -4.147 6.243 255 1HZ LYS 33 1HZ LYS 33 6.325 -5.539 4.248 256 2HZ LYS 33 2HZ LYS 33 7.833 -5.499 5.012 257 3HZ LYS 33 3HZ LYS 33 6.499 -6.174 5.805 258 H PHE 34 H PHE 34 3.912 0.899 3.485 259 HA PHE 34 HA PHE 34 2.427 0.777 5.905 260 1HB PHE 34 1HB PHE 34 4.140 2.727 4.605 261 2HB PHE 34 2HB PHE 34 2.972 3.382 5.734 262 HD1 PHE 34 HD1 PHE 34 2.979 2.495 8.096 263 HD2 PHE 34 HD2 PHE 34 6.113 1.705 5.328 264 HE1 PHE 34 HE1 PHE 34 4.469 1.897 9.961 265 HE2 PHE 34 HE2 PHE 34 7.608 1.104 7.188 266 HZ PHE 34 HZ PHE 34 6.787 1.199 9.507 267 H GLU 35 H GLU 35 1.624 1.672 2.706 268 HA GLU 35 HA GLU 35 -0.437 3.515 3.281 269 1HB GLU 35 1HB GLU 35 0.785 2.385 1.007 270 2HB GLU 35 2HB GLU 35 -0.927 2.010 0.881 271 1HG GLU 35 1HG GLU 35 -1.530 4.289 0.921 272 2HG GLU 35 2HG GLU 35 0.086 4.782 1.427 273 H SER 36 H SER 36 -0.558 0.086 2.356 274 HA SER 36 HA SER 36 -3.175 -0.113 3.707 275 1HB SER 36 1HB SER 36 -3.791 -1.727 1.829 276 2HB SER 36 2HB SER 36 -3.680 -0.027 1.378 277 HG SER 36 HG SER 36 -1.488 -0.524 0.697 278 H ASN 37 H ASN 37 -0.144 -1.121 3.982 279 HA ASN 37 HA ASN 37 0.888 -2.930 4.928 280 1HB ASN 37 1HB ASN 37 -1.700 -2.796 6.131 281 2HB ASN 37 2HB ASN 37 -1.318 -4.493 5.850 282 2HD2 ASN 37 2HD2 ASN 37 -1.356 -2.464 8.212 283 1HD2 ASN 37 1HD2 ASN 37 0.090 -2.865 9.070 284 H PHE 38 H PHE 38 -0.117 -2.926 2.210 285 HA PHE 38 HA PHE 38 -0.065 -4.187 0.381 286 1HB PHE 38 1HB PHE 38 0.811 -6.321 2.327 287 2HB PHE 38 2HB PHE 38 0.699 -6.581 0.589 288 HD1 PHE 38 HD1 PHE 38 1.739 -4.209 -0.600 289 HD2 PHE 38 HD2 PHE 38 3.034 -6.203 2.928 290 HE1 PHE 38 HE1 PHE 38 3.984 -3.255 -0.895 291 HE2 PHE 38 HE2 PHE 38 5.285 -5.253 2.640 292 HZ PHE 38 HZ PHE 38 5.764 -3.780 0.726 293 H ASN 39 H ASN 39 -2.469 -3.927 2.171 294 HA ASN 39 HA ASN 39 -3.954 -6.352 1.688 295 1HB ASN 39 1HB ASN 39 -4.340 -4.849 3.675 296 2HB ASN 39 2HB ASN 39 -5.024 -3.665 2.567 297 2HD2 ASN 39 2HD2 ASN 39 -5.440 -7.081 2.079 298 1HD2 ASN 39 1HD2 ASN 39 -7.121 -7.137 2.474 299 H THR 40 H THR 40 -4.546 -6.827 -0.295 300 HA THR 40 HA THR 40 -4.723 -4.955 -2.406 301 HB THR 40 HB THR 40 -5.063 -6.754 -3.785 302 HG1 THR 40 HG1 THR 40 -6.399 -8.270 -1.797 303 1HG2 THR 40 1HG2 THR 40 -3.387 -7.277 -1.666 304 2HG2 THR 40 2HG2 THR 40 -4.395 -8.722 -1.749 305 3HG2 THR 40 3HG2 THR 40 -3.479 -8.203 -3.164 306 H GLN 41 H GLN 41 -6.872 -6.111 -0.038 307 HA GLN 41 HA GLN 41 -9.228 -5.065 -1.413 308 1HB GLN 41 1HB GLN 41 -8.687 -7.066 0.697 309 2HB GLN 41 2HB GLN 41 -10.172 -6.160 0.849 310 1HG GLN 41 1HG GLN 41 -9.923 -7.032 -1.844 311 2HG GLN 41 2HG GLN 41 -9.634 -8.402 -0.773 312 2HE2 GLN 41 2HE2 GLN 41 -11.925 -7.215 -2.558 313 1HE2 GLN 41 1HE2 GLN 41 -13.325 -7.493 -1.584 314 H ALA 42 H ALA 42 -6.902 -3.793 0.415 315 HA ALA 42 HA ALA 42 -8.160 -2.595 2.604 316 1HB ALA 42 1HB ALA 42 -6.150 -1.730 2.985 317 2HB ALA 42 2HB ALA 42 -5.618 -2.612 1.553 318 3HB ALA 42 3HB ALA 42 -6.108 -0.923 1.418 319 H THR 43 H THR 43 -9.722 -1.168 2.716 320 HA THR 43 HA THR 43 -9.902 0.968 0.709 321 HB THR 43 HB THR 43 -12.257 0.768 0.501 322 HG1 THR 43 HG1 THR 43 -13.260 -1.083 1.780 323 1HG2 THR 43 1HG2 THR 43 -10.668 -1.689 0.148 324 2HG2 THR 43 2HG2 THR 43 -12.416 -1.912 0.143 325 3HG2 THR 43 3HG2 THR 43 -11.666 -0.808 -1.008 326 H ASN 44 H ASN 44 -9.808 2.902 1.755 327 HA ASN 44 HA ASN 44 -11.045 3.100 4.409 328 1HB ASN 44 1HB ASN 44 -8.207 3.250 3.821 329 2HB ASN 44 2HB ASN 44 -8.788 4.735 4.566 330 2HD2 ASN 44 2HD2 ASN 44 -9.958 4.534 6.588 331 1HD2 ASN 44 1HD2 ASN 44 -9.554 3.249 7.670 332 H ARG 45 H ARG 45 -12.369 4.767 4.530 333 HA ARG 45 HA ARG 45 -12.463 6.728 2.423 334 1HB ARG 45 1HB ARG 45 -14.408 7.623 3.722 335 2HB ARG 45 2HB ARG 45 -14.558 5.931 3.263 336 1HG ARG 45 1HG ARG 45 -14.793 5.314 5.377 337 2HG ARG 45 2HG ARG 45 -13.317 6.161 5.845 338 1HD ARG 45 1HD ARG 45 -14.857 8.281 5.641 339 2HD ARG 45 2HD ARG 45 -16.145 7.101 5.880 340 HE ARG 45 HE ARG 45 -14.199 7.981 7.828 341 1HH1 ARG 45 1HH1 ARG 45 -16.552 5.564 6.953 342 2HH1 ARG 45 2HH1 ARG 45 -16.786 5.019 8.581 343 1HH2 ARG 45 1HH2 ARG 45 -14.500 7.269 9.973 344 2HH2 ARG 45 2HH2 ARG 45 -15.621 5.988 10.297 345 H ASN 46 H ASN 46 -11.883 8.831 2.492 346 HA ASN 46 HA ASN 46 -10.336 9.696 4.827 347 1HB ASN 46 1HB ASN 46 -10.423 11.164 2.210 348 2HB ASN 46 2HB ASN 46 -9.140 11.126 3.415 349 2HD2 ASN 46 2HD2 ASN 46 -9.668 10.308 0.417 350 1HD2 ASN 46 1HD2 ASN 46 -8.778 8.834 0.292 351 H THR 47 H THR 47 -10.379 12.222 5.028 352 HA THR 47 HA THR 47 -13.112 12.897 5.694 353 HB THR 47 HB THR 47 -12.143 14.935 6.702 354 HG1 THR 47 HG1 THR 47 -10.198 14.571 5.052 355 1HG2 THR 47 1HG2 THR 47 -11.176 12.207 7.392 356 2HG2 THR 47 2HG2 THR 47 -10.464 13.578 8.241 357 3HG2 THR 47 3HG2 THR 47 -12.205 13.307 8.310 358 H ASP 48 H ASP 48 -10.877 13.567 3.159 359 HA ASP 48 HA ASP 48 -12.027 16.036 2.297 360 1HB ASP 48 1HB ASP 48 -10.731 15.555 0.181 361 2HB ASP 48 2HB ASP 48 -9.773 15.621 1.656 362 H GLY 49 H GLY 49 -13.169 12.918 2.235 363 1HA GLY 49 1HA GLY 49 -15.050 13.606 0.073 364 2HA GLY 49 2HA GLY 49 -15.408 12.532 1.415 365 H SER 50 H SER 50 -12.451 12.449 -0.483 366 HA SER 50 HA SER 50 -13.328 10.304 -2.168 367 1HB SER 50 1HB SER 50 -10.670 10.191 -2.477 368 2HB SER 50 2HB SER 50 -11.660 11.418 -3.267 369 HG SER 50 HG SER 50 -11.060 12.885 -1.724 370 H THR 51 H THR 51 -11.800 8.313 -2.289 371 HA THR 51 HA THR 51 -11.194 7.298 0.397 372 HB THR 51 HB THR 51 -12.690 5.590 -1.575 373 HG1 THR 51 HG1 THR 51 -14.492 6.545 -1.024 374 1HG2 THR 51 1HG2 THR 51 -12.098 5.443 1.370 375 2HG2 THR 51 2HG2 THR 51 -13.351 4.462 0.610 376 3HG2 THR 51 3HG2 THR 51 -11.670 4.288 0.107 377 H ASP 52 H ASP 52 -9.918 5.272 0.350 378 HA ASP 52 HA ASP 52 -8.198 5.143 -2.040 379 1HB ASP 52 1HB ASP 52 -7.523 4.628 0.864 380 2HB ASP 52 2HB ASP 52 -6.425 4.333 -0.481 381 H TYR 53 H TYR 53 -9.168 3.530 -3.149 382 HA TYR 53 HA TYR 53 -9.655 1.007 -1.740 383 1HB TYR 53 1HB TYR 53 -10.543 1.831 -4.509 384 2HB TYR 53 2HB TYR 53 -10.993 0.356 -3.667 385 HD1 TYR 53 HD1 TYR 53 -12.197 0.722 -1.354 386 HD2 TYR 53 HD2 TYR 53 -11.979 3.635 -4.444 387 HE1 TYR 53 HE1 TYR 53 -14.182 1.840 -0.430 388 HE2 TYR 53 HE2 TYR 53 -13.965 4.761 -3.531 389 HH TYR 53 HH TYR 53 -15.950 3.337 -1.143 390 H GLY 54 H GLY 54 -7.255 0.602 -1.725 391 1HA GLY 54 1HA GLY 54 -5.964 0.185 -4.244 392 2HA GLY 54 2HA GLY 54 -6.538 -1.327 -3.565 393 H ILE 55 H ILE 55 -4.222 -1.834 -3.690 394 HA ILE 55 HA ILE 55 -2.995 -1.636 -1.128 395 HB ILE 55 HB ILE 55 -2.597 -3.540 -2.731 396 1HG1 ILE 55 1HG1 ILE 55 -0.107 -2.044 -1.869 397 2HG1 ILE 55 2HG1 ILE 55 -1.073 -3.091 -0.834 398 1HG2 ILE 55 1HG2 ILE 55 -1.523 -1.313 -4.336 399 2HG2 ILE 55 2HG2 ILE 55 -0.560 -2.790 -4.338 400 3HG2 ILE 55 3HG2 ILE 55 -2.249 -2.836 -4.846 401 1HD1 ILE 55 1HD1 ILE 55 -0.178 -4.367 -3.301 402 2HD1 ILE 55 2HD1 ILE 55 1.128 -3.855 -2.233 403 3HD1 ILE 55 3HD1 ILE 55 -0.124 -4.943 -1.635 404 H LEU 56 H LEU 56 -3.017 0.214 -4.003 405 HA LEU 56 HA LEU 56 -0.852 1.936 -3.011 406 1HB LEU 56 1HB LEU 56 -1.420 0.904 -5.635 407 2HB LEU 56 2HB LEU 56 -1.539 2.651 -5.666 408 HG LEU 56 HG LEU 56 0.688 2.225 -6.263 409 1HD1 LEU 56 1HD1 LEU 56 0.179 3.627 -3.998 410 2HD1 LEU 56 2HD1 LEU 56 1.370 2.463 -3.418 411 3HD1 LEU 56 3HD1 LEU 56 1.758 3.517 -4.778 412 1HD2 LEU 56 1HD2 LEU 56 0.320 -0.127 -4.630 413 2HD2 LEU 56 2HD2 LEU 56 1.482 0.178 -5.921 414 3HD2 LEU 56 3HD2 LEU 56 1.852 0.667 -4.267 415 H GLN 57 H GLN 57 -4.020 1.635 -2.775 416 HA GLN 57 HA GLN 57 -5.688 3.021 -2.179 417 1HB GLN 57 1HB GLN 57 -3.623 5.202 -2.492 418 2HB GLN 57 2HB GLN 57 -5.216 5.412 -1.779 419 1HG GLN 57 1HG GLN 57 -4.573 3.679 -0.082 420 2HG GLN 57 2HG GLN 57 -2.935 3.766 -0.726 421 2HE2 GLN 57 2HE2 GLN 57 -2.336 6.262 -1.058 422 1HE2 GLN 57 1HE2 GLN 57 -2.522 7.197 0.383 423 H ILE 58 H ILE 58 -6.562 2.295 -4.352 424 HA ILE 58 HA ILE 58 -6.341 4.225 -6.482 425 HB ILE 58 HB ILE 58 -8.327 1.969 -6.389 426 1HG1 ILE 58 1HG1 ILE 58 -6.244 0.924 -5.794 427 2HG1 ILE 58 2HG1 ILE 58 -6.555 0.571 -7.490 428 1HG2 ILE 58 1HG2 ILE 58 -7.614 3.921 -8.295 429 2HG2 ILE 58 2HG2 ILE 58 -7.037 2.369 -8.901 430 3HG2 ILE 58 3HG2 ILE 58 -8.737 2.574 -8.481 431 1HD1 ILE 58 1HD1 ILE 58 -5.043 2.931 -7.449 432 2HD1 ILE 58 2HD1 ILE 58 -4.295 1.836 -6.286 433 3HD1 ILE 58 3HD1 ILE 58 -4.531 1.322 -7.957 434 H ASN 59 H ASN 59 -7.248 6.139 -5.860 435 HA ASN 59 HA ASN 59 -9.664 6.341 -4.411 436 1HB ASN 59 1HB ASN 59 -7.957 8.127 -4.486 437 2HB ASN 59 2HB ASN 59 -8.315 8.387 -6.191 438 2HD2 ASN 59 2HD2 ASN 59 -8.578 10.585 -5.061 439 1HD2 ASN 59 1HD2 ASN 59 -10.191 10.988 -4.590 440 H SER 60 H SER 60 -11.359 5.262 -5.334 441 HA SER 60 HA SER 60 -11.919 5.231 -8.096 442 1HB SER 60 1HB SER 60 -13.766 3.964 -7.548 443 2HB SER 60 2HB SER 60 -12.794 3.740 -6.094 444 HG SER 60 HG SER 60 -14.984 5.493 -6.476 445 H ARG 61 H ARG 61 -12.339 7.702 -5.783 446 HA ARG 61 HA ARG 61 -14.509 8.956 -7.292 447 1HB ARG 61 1HB ARG 61 -14.308 8.807 -4.680 448 2HB ARG 61 2HB ARG 61 -13.234 10.185 -4.877 449 1HG ARG 61 1HG ARG 61 -15.588 10.663 -6.395 450 2HG ARG 61 2HG ARG 61 -16.057 10.152 -4.772 451 1HD ARG 61 1HD ARG 61 -14.802 11.896 -3.768 452 2HD ARG 61 2HD ARG 61 -13.994 12.280 -5.286 453 HE ARG 61 HE ARG 61 -16.895 12.635 -5.084 454 1HH1 ARG 61 1HH1 ARG 61 -13.704 14.001 -5.401 455 2HH1 ARG 61 2HH1 ARG 61 -14.280 15.566 -5.867 456 1HH2 ARG 61 1HH2 ARG 61 -17.661 14.693 -5.697 457 2HH2 ARG 61 2HH2 ARG 61 -16.530 15.960 -6.035 458 H TRP 62 H TRP 62 -11.646 8.652 -8.157 459 HA TRP 62 HA TRP 62 -11.371 11.296 -9.251 460 1HB TRP 62 1HB TRP 62 -10.283 11.265 -6.889 461 2HB TRP 62 2HB TRP 62 -8.984 10.386 -7.688 462 HD1 TRP 62 HD1 TRP 62 -7.145 11.848 -8.705 463 HE1 TRP 62 HE1 TRP 62 -6.915 14.325 -9.365 464 HE3 TRP 62 HE3 TRP 62 -11.946 13.372 -7.826 465 HZ2 TRP 62 HZ2 TRP 62 -8.552 16.621 -9.495 466 HZ3 TRP 62 HZ3 TRP 62 -12.531 15.724 -8.244 467 HH2 TRP 62 HH2 TRP 62 -10.868 17.316 -9.060 468 H TRP 63 H TRP 63 -10.701 7.962 -9.339 469 HA TRP 63 HA TRP 63 -9.092 8.378 -11.762 470 1HB TRP 63 1HB TRP 63 -8.620 6.323 -9.595 471 2HB TRP 63 2HB TRP 63 -7.842 6.281 -11.174 472 HD1 TRP 63 HD1 TRP 63 -6.876 7.159 -7.884 473 HE1 TRP 63 HE1 TRP 63 -5.115 9.044 -7.833 474 HE3 TRP 63 HE3 TRP 63 -7.466 8.917 -12.616 475 HZ2 TRP 63 HZ2 TRP 63 -4.123 11.036 -9.597 476 HZ3 TRP 63 HZ3 TRP 63 -6.128 10.809 -13.371 477 HH2 TRP 63 HH2 TRP 63 -4.466 11.853 -11.896 478 H CYS 64 H CYS 64 -10.470 5.583 -10.086 479 HA CYS 64 HA CYS 64 -11.432 4.589 -12.647 480 1HB CYS 64 1HB CYS 64 -11.476 2.485 -11.710 481 2HB CYS 64 2HB CYS 64 -10.283 3.239 -10.658 482 H ASN 65 H ASN 65 -13.528 3.826 -13.021 483 HA ASN 65 HA ASN 65 -15.574 5.459 -11.711 484 1HB ASN 65 1HB ASN 65 -15.456 5.447 -14.188 485 2HB ASN 65 2HB ASN 65 -15.777 3.715 -14.179 486 2HD2 ASN 65 2HD2 ASN 65 -17.759 3.382 -14.865 487 1HD2 ASN 65 1HD2 ASN 65 -19.165 4.264 -14.386 488 H ASP 66 H ASP 66 -16.382 4.548 -9.927 489 HA ASP 66 HA ASP 66 -16.815 1.647 -9.886 490 1HB ASP 66 1HB ASP 66 -16.878 1.796 -7.494 491 2HB ASP 66 2HB ASP 66 -15.482 2.713 -8.053 492 H GLY 67 H GLY 67 -18.507 4.579 -10.221 493 1HA GLY 67 1HA GLY 67 -21.002 3.235 -10.474 494 2HA GLY 67 2HA GLY 67 -20.747 4.971 -10.550 495 H ARG 68 H ARG 68 -19.513 3.591 -7.703 496 HA ARG 68 HA ARG 68 -21.986 3.776 -6.210 497 1HB ARG 68 1HB ARG 68 -19.550 2.410 -5.885 498 2HB ARG 68 2HB ARG 68 -19.632 3.560 -4.557 499 1HG ARG 68 1HG ARG 68 -21.152 2.347 -3.489 500 2HG ARG 68 2HG ARG 68 -22.154 2.203 -4.934 501 1HD ARG 68 1HD ARG 68 -21.452 0.009 -4.164 502 2HD ARG 68 2HD ARG 68 -20.732 0.374 -5.731 503 HE ARG 68 HE ARG 68 -18.929 1.151 -3.746 504 1HH1 ARG 68 1HH1 ARG 68 -20.361 -1.763 -5.011 505 2HH1 ARG 68 2HH1 ARG 68 -19.005 -2.760 -4.601 506 1HH2 ARG 68 1HH2 ARG 68 -17.140 -0.154 -3.203 507 2HH2 ARG 68 2HH2 ARG 68 -17.174 -1.845 -3.573 508 H THR 69 H THR 69 -19.783 5.977 -7.307 509 HA THR 69 HA THR 69 -20.514 7.874 -5.184 510 HB THR 69 HB THR 69 -17.841 8.166 -6.476 511 HG1 THR 69 HG1 THR 69 -16.939 6.795 -4.883 512 1HG2 THR 69 1HG2 THR 69 -19.079 8.869 -3.825 513 2HG2 THR 69 2HG2 THR 69 -17.342 8.975 -4.110 514 3HG2 THR 69 3HG2 THR 69 -18.455 9.955 -5.066 515 HA PRO 70 HA PRO 70 -21.877 9.955 -8.942 516 1HB PRO 70 1HB PRO 70 -23.088 12.033 -7.671 517 2HB PRO 70 2HB PRO 70 -23.838 10.443 -7.852 518 1HG PRO 70 1HG PRO 70 -22.394 11.599 -5.498 519 2HG PRO 70 2HG PRO 70 -23.897 10.660 -5.537 520 1HD PRO 70 1HD PRO 70 -21.523 9.554 -4.879 521 2HD PRO 70 2HD PRO 70 -22.784 8.649 -5.740 522 H GLY 71 H GLY 71 -20.096 10.781 -9.927 523 1HA GLY 71 1HA GLY 71 -18.827 13.139 -8.681 524 2HA GLY 71 2HA GLY 71 -19.304 13.148 -10.372 525 H SER 72 H SER 72 -18.445 10.139 -10.230 526 HA SER 72 HA SER 72 -15.670 10.062 -9.835 527 1HB SER 72 1HB SER 72 -16.031 8.107 -11.676 528 2HB SER 72 2HB SER 72 -16.422 7.918 -9.966 529 HG SER 72 HG SER 72 -18.065 7.875 -12.090 530 H ARG 73 H ARG 73 -14.057 10.911 -10.957 531 HA ARG 73 HA ARG 73 -14.514 12.340 -13.381 532 1HB ARG 73 1HB ARG 73 -12.648 12.504 -11.409 533 2HB ARG 73 2HB ARG 73 -11.726 11.694 -12.668 534 1HG ARG 73 1HG ARG 73 -11.278 13.825 -13.258 535 2HG ARG 73 2HG ARG 73 -12.796 13.640 -14.140 536 1HD ARG 73 1HD ARG 73 -12.894 14.571 -11.314 537 2HD ARG 73 2HD ARG 73 -12.362 15.706 -12.553 538 HE ARG 73 HE ARG 73 -14.875 14.296 -13.007 539 1HH1 ARG 73 1HH1 ARG 73 -13.229 17.225 -12.079 540 2HH1 ARG 73 2HH1 ARG 73 -14.615 18.233 -12.327 541 1HH2 ARG 73 1HH2 ARG 73 -16.704 15.618 -13.336 542 2HH2 ARG 73 2HH2 ARG 73 -16.590 17.321 -13.041 543 H ASN 74 H ASN 74 -12.921 9.292 -12.571 544 HA ASN 74 HA ASN 74 -12.360 7.462 -13.825 545 1HB ASN 74 1HB ASN 74 -14.736 8.100 -14.816 546 2HB ASN 74 2HB ASN 74 -13.787 8.553 -16.229 547 2HD2 ASN 74 2HD2 ASN 74 -13.055 5.957 -13.982 548 1HD2 ASN 74 1HD2 ASN 74 -13.266 4.668 -15.113 549 H LEU 75 H LEU 75 -10.793 9.889 -13.761 550 HA LEU 75 HA LEU 75 -9.652 10.761 -16.104 551 1HB LEU 75 1HB LEU 75 -8.862 10.367 -13.294 552 2HB LEU 75 2HB LEU 75 -7.545 10.584 -14.422 553 HG LEU 75 HG LEU 75 -9.873 12.482 -13.991 554 1HD1 LEU 75 1HD1 LEU 75 -8.327 12.398 -12.084 555 2HD1 LEU 75 2HD1 LEU 75 -6.988 12.780 -13.166 556 3HD1 LEU 75 3HD1 LEU 75 -8.280 13.953 -12.913 557 1HD2 LEU 75 1HD2 LEU 75 -8.498 12.273 -16.279 558 2HD2 LEU 75 2HD2 LEU 75 -9.100 13.810 -15.657 559 3HD2 LEU 75 3HD2 LEU 75 -7.418 13.352 -15.396 560 H CYS 76 H CYS 76 -8.944 8.066 -14.118 561 HA CYS 76 HA CYS 76 -6.829 7.014 -15.738 562 1HB CYS 76 1HB CYS 76 -7.527 6.944 -13.135 563 2HB CYS 76 2HB CYS 76 -8.118 5.379 -13.673 564 H ASN 77 H ASN 77 -10.237 6.592 -15.311 565 HA ASN 77 HA ASN 77 -11.802 5.209 -16.252 566 1HB ASN 77 1HB ASN 77 -10.768 6.523 -18.241 567 2HB ASN 77 2HB ASN 77 -9.981 4.999 -18.640 568 2HD2 ASN 77 2HD2 ASN 77 -12.354 6.793 -19.635 569 1HD2 ASN 77 1HD2 ASN 77 -13.547 5.615 -20.053 570 H ILE 78 H ILE 78 -10.526 3.804 -14.519 571 HA ILE 78 HA ILE 78 -9.760 1.323 -15.880 572 HB ILE 78 HB ILE 78 -8.011 0.956 -14.511 573 1HG1 ILE 78 1HG1 ILE 78 -9.829 2.025 -12.432 574 2HG1 ILE 78 2HG1 ILE 78 -8.768 0.624 -12.384 575 1HG2 ILE 78 1HG2 ILE 78 -7.678 3.152 -15.551 576 2HG2 ILE 78 2HG2 ILE 78 -8.335 3.921 -14.107 577 3HG2 ILE 78 3HG2 ILE 78 -6.831 3.007 -14.011 578 1HD1 ILE 78 1HD1 ILE 78 -6.853 2.239 -12.112 579 2HD1 ILE 78 2HD1 ILE 78 -8.065 3.497 -11.875 580 3HD1 ILE 78 3HD1 ILE 78 -7.979 2.134 -10.759 581 HA PRO 79 HA PRO 79 -12.891 -0.626 -13.391 582 1HB PRO 79 1HB PRO 79 -12.241 -3.200 -13.744 583 2HB PRO 79 2HB PRO 79 -12.817 -2.217 -15.095 584 1HG PRO 79 1HG PRO 79 -10.058 -3.116 -14.448 585 2HG PRO 79 2HG PRO 79 -10.817 -2.860 -16.028 586 1HD PRO 79 1HD PRO 79 -9.096 -1.080 -14.683 587 2HD PRO 79 2HD PRO 79 -10.088 -0.715 -16.107 588 H CYS 80 H CYS 80 -12.601 -0.156 -11.225 589 HA CYS 80 HA CYS 80 -10.308 -0.744 -9.756 590 1HB CYS 80 1HB CYS 80 -13.067 0.100 -9.096 591 2HB CYS 80 2HB CYS 80 -12.127 -0.611 -7.786 592 H SER 81 H SER 81 -13.373 -2.584 -9.922 593 HA SER 81 HA SER 81 -12.737 -4.563 -8.102 594 1HB SER 81 1HB SER 81 -14.366 -5.969 -9.282 595 2HB SER 81 2HB SER 81 -14.959 -4.316 -9.130 596 HG SER 81 HG SER 81 -13.537 -4.651 -11.410 597 H ALA 82 H ALA 82 -11.556 -4.132 -11.362 598 HA ALA 82 HA ALA 82 -10.554 -6.787 -11.696 599 1HB ALA 82 1HB ALA 82 -10.920 -4.609 -13.347 600 2HB ALA 82 2HB ALA 82 -9.166 -4.758 -13.243 601 3HB ALA 82 3HB ALA 82 -10.135 -6.127 -13.784 602 H LEU 83 H LEU 83 -9.553 -4.203 -9.828 603 HA LEU 83 HA LEU 83 -6.749 -5.081 -9.787 604 1HB LEU 83 1HB LEU 83 -6.123 -2.994 -9.103 605 2HB LEU 83 2HB LEU 83 -7.556 -2.587 -10.025 606 HG LEU 83 HG LEU 83 -8.620 -2.942 -7.540 607 1HD1 LEU 83 1HD1 LEU 83 -5.882 -2.864 -7.066 608 2HD1 LEU 83 2HD1 LEU 83 -6.450 -1.239 -6.685 609 3HD1 LEU 83 3HD1 LEU 83 -7.170 -2.636 -5.884 610 1HD2 LEU 83 1HD2 LEU 83 -7.903 -0.727 -9.278 611 2HD2 LEU 83 2HD2 LEU 83 -9.365 -0.995 -8.330 612 3HD2 LEU 83 3HD2 LEU 83 -7.946 -0.268 -7.576 613 H LEU 84 H LEU 84 -9.639 -5.463 -8.157 614 HA LEU 84 HA LEU 84 -8.286 -6.076 -5.621 615 1HB LEU 84 1HB LEU 84 -11.252 -5.930 -5.837 616 2HB LEU 84 2HB LEU 84 -10.206 -5.518 -4.488 617 HG LEU 84 HG LEU 84 -10.062 -3.841 -6.943 618 1HD1 LEU 84 1HD1 LEU 84 -12.270 -3.679 -4.900 619 2HD1 LEU 84 2HD1 LEU 84 -11.894 -2.427 -6.084 620 3HD1 LEU 84 3HD1 LEU 84 -12.441 -4.015 -6.622 621 1HD2 LEU 84 1HD2 LEU 84 -8.716 -3.730 -4.658 622 2HD2 LEU 84 2HD2 LEU 84 -9.155 -2.281 -5.563 623 3HD2 LEU 84 3HD2 LEU 84 -10.121 -2.780 -4.175 624 H SER 85 H SER 85 -8.061 -7.851 -7.744 625 HA SER 85 HA SER 85 -9.579 -10.130 -6.697 626 1HB SER 85 1HB SER 85 -8.948 -10.720 -9.393 627 2HB SER 85 2HB SER 85 -10.549 -10.458 -8.701 628 HG SER 85 HG SER 85 -9.100 -8.860 -10.340 629 H SER 86 H SER 86 -7.104 -9.161 -5.978 630 HA SER 86 HA SER 86 -5.102 -10.005 -5.266 631 1HB SER 86 1HB SER 86 -5.587 -12.431 -7.008 632 2HB SER 86 2HB SER 86 -4.508 -12.299 -5.620 633 HG SER 86 HG SER 86 -6.679 -13.337 -5.342 634 H ASP 87 H ASP 87 -5.870 -8.631 -7.811 635 HA ASP 87 HA ASP 87 -3.378 -9.037 -9.313 636 1HB ASP 87 1HB ASP 87 -5.595 -9.700 -10.356 637 2HB ASP 87 2HB ASP 87 -5.995 -7.989 -10.357 638 H ILE 88 H ILE 88 -2.022 -7.354 -9.046 639 HA ILE 88 HA ILE 88 -3.081 -4.763 -8.255 640 HB ILE 88 HB ILE 88 -0.471 -4.254 -8.424 641 1HG1 ILE 88 1HG1 ILE 88 -0.390 -7.132 -7.579 642 2HG1 ILE 88 2HG1 ILE 88 -0.222 -6.706 -9.279 643 1HG2 ILE 88 1HG2 ILE 88 -2.252 -5.225 -6.330 644 2HG2 ILE 88 2HG2 ILE 88 -0.541 -5.482 -5.986 645 3HG2 ILE 88 3HG2 ILE 88 -1.137 -3.858 -6.334 646 1HD1 ILE 88 1HD1 ILE 88 1.508 -5.055 -7.732 647 2HD1 ILE 88 2HD1 ILE 88 1.759 -6.743 -7.288 648 3HD1 ILE 88 3HD1 ILE 88 1.914 -6.242 -8.972 649 H THR 89 H THR 89 -2.472 -6.327 -11.124 650 HA THR 89 HA THR 89 -1.121 -4.620 -12.763 651 HB THR 89 HB THR 89 -3.702 -5.894 -13.651 652 HG1 THR 89 HG1 THR 89 -2.453 -7.807 -13.942 653 1HG2 THR 89 1HG2 THR 89 -1.922 -4.413 -15.049 654 2HG2 THR 89 2HG2 THR 89 -1.241 -6.024 -15.269 655 3HG2 THR 89 3HG2 THR 89 -2.903 -5.695 -15.758 656 H ALA 90 H ALA 90 -4.657 -4.486 -12.238 657 HA ALA 90 HA ALA 90 -5.091 -2.177 -13.679 658 1HB ALA 90 1HB ALA 90 -6.606 -3.701 -11.661 659 2HB ALA 90 2HB ALA 90 -7.130 -2.047 -11.978 660 3HB ALA 90 3HB ALA 90 -7.059 -3.217 -13.294 661 H SER 91 H SER 91 -4.468 -2.579 -10.208 662 HA SER 91 HA SER 91 -4.768 0.136 -9.502 663 1HB SER 91 1HB SER 91 -2.902 -0.953 -7.725 664 2HB SER 91 2HB SER 91 -4.650 -0.872 -7.502 665 HG SER 91 HG SER 91 -4.067 -2.998 -7.310 666 H VAL 92 H VAL 92 -2.064 -1.692 -10.721 667 HA VAL 92 HA VAL 92 -0.186 0.399 -10.204 668 HB VAL 92 HB VAL 92 0.078 -2.028 -11.974 669 1HG1 VAL 92 1HG1 VAL 92 1.970 0.247 -11.437 670 2HG1 VAL 92 2HG1 VAL 92 2.566 -1.355 -11.876 671 3HG1 VAL 92 3HG1 VAL 92 1.514 -0.471 -12.982 672 1HG2 VAL 92 1HG2 VAL 92 0.620 -1.430 -9.153 673 2HG2 VAL 92 2HG2 VAL 92 0.357 -2.979 -9.954 674 3HG2 VAL 92 3HG2 VAL 92 1.949 -2.222 -10.000 675 H ASN 93 H ASN 93 -1.716 -0.808 -13.203 676 HA ASN 93 HA ASN 93 -0.644 0.840 -15.007 677 1HB ASN 93 1HB ASN 93 -2.152 -0.187 -16.251 678 2HB ASN 93 2HB ASN 93 -2.970 -0.708 -14.801 679 2HD2 ASN 93 2HD2 ASN 93 -2.853 1.692 -17.307 680 1HD2 ASN 93 1HD2 ASN 93 -4.426 2.352 -17.030 681 H CYS 94 H CYS 94 -3.262 1.579 -12.798 682 HA CYS 94 HA CYS 94 -3.760 4.202 -13.662 683 1HB CYS 94 1HB CYS 94 -5.051 2.652 -11.968 684 2HB CYS 94 2HB CYS 94 -4.050 3.479 -10.777 685 H ALA 95 H ALA 95 -1.648 2.968 -11.057 686 HA ALA 95 HA ALA 95 -0.708 5.568 -10.373 687 1HB ALA 95 1HB ALA 95 0.051 4.511 -8.615 688 2HB ALA 95 2HB ALA 95 1.227 3.663 -9.618 689 3HB ALA 95 3HB ALA 95 -0.372 2.965 -9.351 690 H LYS 96 H LYS 96 0.466 3.079 -12.581 691 HA LYS 96 HA LYS 96 2.995 3.991 -13.134 692 1HB LYS 96 1HB LYS 96 1.832 1.980 -14.161 693 2HB LYS 96 2HB LYS 96 1.026 3.099 -15.253 694 1HG LYS 96 1HG LYS 96 3.745 3.718 -15.426 695 2HG LYS 96 2HG LYS 96 3.654 1.955 -15.418 696 1HD LYS 96 1HD LYS 96 1.729 3.420 -17.138 697 2HD LYS 96 2HD LYS 96 3.418 3.389 -17.650 698 1HE LYS 96 1HE LYS 96 3.335 1.214 -18.197 699 2HE LYS 96 2HE LYS 96 2.385 0.795 -16.773 700 1HZ LYS 96 1HZ LYS 96 0.905 2.320 -18.699 701 2HZ LYS 96 2HZ LYS 96 1.470 0.855 -19.327 702 3HZ LYS 96 3HZ LYS 96 0.505 0.862 -17.939 703 H LYS 97 H LYS 97 -0.126 5.091 -13.999 704 HA LYS 97 HA LYS 97 0.748 7.275 -15.700 705 1HB LYS 97 1HB LYS 97 -1.474 5.962 -15.896 706 2HB LYS 97 2HB LYS 97 -2.025 6.975 -14.569 707 1HG LYS 97 1HG LYS 97 -1.833 8.941 -15.859 708 2HG LYS 97 2HG LYS 97 -0.913 8.113 -17.117 709 1HD LYS 97 1HD LYS 97 -3.403 6.764 -16.746 710 2HD LYS 97 2HD LYS 97 -3.711 8.490 -16.955 711 1HE LYS 97 1HE LYS 97 -3.724 7.648 -19.132 712 2HE LYS 97 2HE LYS 97 -2.111 8.338 -18.950 713 1HZ LYS 97 1HZ LYS 97 -2.520 5.500 -18.321 714 2HZ LYS 97 2HZ LYS 97 -2.432 5.968 -19.944 715 3HZ LYS 97 3HZ LYS 97 -1.137 6.285 -18.902 716 H ILE 98 H ILE 98 -0.331 6.770 -12.399 717 HA ILE 98 HA ILE 98 -0.669 9.445 -11.660 718 HB ILE 98 HB ILE 98 0.101 7.079 -9.976 719 1HG1 ILE 98 1HG1 ILE 98 -2.537 8.551 -10.180 720 2HG1 ILE 98 2HG1 ILE 98 -2.160 7.111 -11.121 721 1HG2 ILE 98 1HG2 ILE 98 -0.495 9.920 -9.217 722 2HG2 ILE 98 2HG2 ILE 98 -0.755 8.587 -8.093 723 3HG2 ILE 98 3HG2 ILE 98 0.861 8.906 -8.724 724 1HD1 ILE 98 1HD1 ILE 98 -1.720 6.811 -8.247 725 2HD1 ILE 98 2HD1 ILE 98 -3.393 7.127 -8.703 726 3HD1 ILE 98 3HD1 ILE 98 -2.537 5.749 -9.393 727 H VAL 99 H VAL 99 2.133 7.317 -11.342 728 HA VAL 99 HA VAL 99 3.867 9.316 -10.313 729 HB VAL 99 HB VAL 99 4.130 6.809 -10.033 730 1HG1 VAL 99 1HG1 VAL 99 3.907 6.457 -12.571 731 2HG1 VAL 99 2HG1 VAL 99 5.613 6.897 -12.633 732 3HG1 VAL 99 3HG1 VAL 99 5.097 5.497 -11.693 733 1HG2 VAL 99 1HG2 VAL 99 6.248 8.784 -10.614 734 2HG2 VAL 99 2HG2 VAL 99 5.934 7.852 -9.151 735 3HG2 VAL 99 3HG2 VAL 99 6.746 7.095 -10.521 736 H SER 100 H SER 100 2.951 8.309 -13.526 737 HA SER 100 HA SER 100 5.188 9.665 -14.781 738 1HB SER 100 1HB SER 100 2.886 8.018 -15.712 739 2HB SER 100 2HB SER 100 3.561 9.183 -16.852 740 HG SER 100 HG SER 100 5.657 8.093 -15.968 741 H ASP 101 H ASP 101 2.311 10.552 -13.390 742 HA ASP 101 HA ASP 101 1.608 12.690 -15.198 743 1HB ASP 101 1HB ASP 101 -0.016 11.370 -13.727 744 2HB ASP 101 2HB ASP 101 0.587 12.336 -12.384 745 H GLY 102 H GLY 102 4.033 12.314 -12.970 746 1HA GLY 102 1HA GLY 102 4.053 15.204 -12.350 747 2HA GLY 102 2HA GLY 102 5.487 14.363 -12.916 748 H ASN 103 H ASN 103 3.050 13.501 -10.461 749 HA ASN 103 HA ASN 103 5.003 13.831 -8.342 750 1HB ASN 103 1HB ASN 103 2.089 13.040 -8.350 751 2HB ASN 103 2HB ASN 103 3.068 13.067 -6.887 752 2HD2 ASN 103 2HD2 ASN 103 4.413 15.224 -6.785 753 1HD2 ASN 103 1HD2 ASN 103 3.462 16.652 -6.990 754 H GLY 104 H GLY 104 6.474 12.264 -8.082 755 1HA GLY 104 1HA GLY 104 7.221 10.031 -8.688 756 2HA GLY 104 2HA GLY 104 5.578 9.476 -8.417 757 H MET 105 H MET 105 4.920 8.919 -6.409 758 HA MET 105 HA MET 105 5.305 7.829 -4.420 759 1HB MET 105 1HB MET 105 8.009 9.186 -4.364 760 2HB MET 105 2HB MET 105 7.441 7.961 -3.240 761 1HG MET 105 1HG MET 105 8.543 7.686 -5.939 762 2HG MET 105 2HG MET 105 8.578 6.572 -4.575 763 1HE MET 105 1HE MET 105 6.988 4.684 -4.166 764 2HE MET 105 2HE MET 105 5.699 5.835 -3.815 765 3HE MET 105 3HE MET 105 5.405 4.491 -4.919 766 H ASN 106 H ASN 106 5.170 11.002 -5.214 767 HA ASN 106 HA ASN 106 5.103 12.066 -2.521 768 1HB ASN 106 1HB ASN 106 5.110 13.134 -5.287 769 2HB ASN 106 2HB ASN 106 4.283 14.092 -4.075 770 2HD2 ASN 106 2HD2 ASN 106 5.455 15.224 -2.608 771 1HD2 ASN 106 1HD2 ASN 106 7.182 15.272 -2.581 772 H ALA 107 H ALA 107 2.926 11.222 -5.149 773 HA ALA 107 HA ALA 107 0.579 12.399 -4.134 774 1HB ALA 107 1HB ALA 107 1.011 10.056 -5.974 775 2HB ALA 107 2HB ALA 107 -0.586 10.691 -5.579 776 3HB ALA 107 3HB ALA 107 0.590 11.713 -6.405 777 H TRP 108 H TRP 108 2.408 9.774 -3.056 778 HA TRP 108 HA TRP 108 0.156 8.695 -1.506 779 1HB TRP 108 1HB TRP 108 2.829 7.436 -2.163 780 2HB TRP 108 2HB TRP 108 1.558 6.681 -1.203 781 HD1 TRP 108 HD1 TRP 108 -0.682 5.919 -2.519 782 HE1 TRP 108 HE1 TRP 108 -1.078 5.336 -4.994 783 HE3 TRP 108 HE3 TRP 108 3.530 8.002 -4.527 784 HZ2 TRP 108 HZ2 TRP 108 0.223 5.712 -7.476 785 HZ3 TRP 108 HZ3 TRP 108 3.881 7.848 -6.957 786 HH2 TRP 108 HH2 TRP 108 2.262 6.727 -8.400 787 H VAL 109 H VAL 109 0.033 9.297 0.518 788 HA VAL 109 HA VAL 109 2.053 10.799 1.825 789 HB VAL 109 HB VAL 109 -0.002 9.669 3.498 790 1HG1 VAL 109 1HG1 VAL 109 1.469 12.148 3.159 791 2HG1 VAL 109 2HG1 VAL 109 -0.232 12.397 3.553 792 3HG1 VAL 109 3HG1 VAL 109 0.787 11.430 4.619 793 1HG2 VAL 109 1HG2 VAL 109 -0.684 11.031 0.959 794 2HG2 VAL 109 2HG2 VAL 109 -1.555 9.768 1.828 795 3HG2 VAL 109 3HG2 VAL 109 -1.627 11.437 2.392 796 H ALA 110 H ALA 110 1.339 7.414 1.792 797 HA ALA 110 HA ALA 110 2.508 6.799 4.310 798 1HB ALA 110 1HB ALA 110 1.550 5.267 1.972 799 2HB ALA 110 2HB ALA 110 1.246 5.023 3.691 800 3HB ALA 110 3HB ALA 110 2.765 4.480 2.979 801 H TRP 111 H TRP 111 3.757 7.404 1.148 802 HA TRP 111 HA TRP 111 6.346 6.266 1.754 803 1HB TRP 111 1HB TRP 111 5.557 6.185 -0.554 804 2HB TRP 111 2HB TRP 111 5.443 7.937 -0.600 805 HD1 TRP 111 HD1 TRP 111 7.919 5.093 -0.918 806 HE1 TRP 111 HE1 TRP 111 10.204 6.030 -1.642 807 HE3 TRP 111 HE3 TRP 111 6.961 10.088 -0.381 808 HZ2 TRP 111 HZ2 TRP 111 11.437 8.549 -1.947 809 HZ3 TRP 111 HZ3 TRP 111 8.747 11.695 -0.910 810 HH2 TRP 111 HH2 TRP 111 10.940 10.940 -1.676 811 H ARG 112 H ARG 112 4.792 9.449 1.715 812 HA ARG 112 HA ARG 112 7.305 10.740 2.421 813 1HB ARG 112 1HB ARG 112 4.679 11.572 1.417 814 2HB ARG 112 2HB ARG 112 5.363 12.644 2.631 815 1HG ARG 112 1HG ARG 112 7.508 12.427 1.106 816 2HG ARG 112 2HG ARG 112 6.298 12.051 -0.123 817 1HD ARG 112 1HD ARG 112 6.928 14.473 0.045 818 2HD ARG 112 2HD ARG 112 5.203 14.135 0.199 819 HE ARG 112 HE ARG 112 5.550 14.368 2.650 820 1HH1 ARG 112 1HH1 ARG 112 7.782 15.846 0.418 821 2HH1 ARG 112 2HH1 ARG 112 8.284 17.074 1.533 822 1HH2 ARG 112 1HH2 ARG 112 6.204 15.981 4.123 823 2HH2 ARG 112 2HH2 ARG 112 7.387 17.150 3.638 824 H ASN 113 H ASN 113 6.616 8.917 4.282 825 HA ASN 113 HA ASN 113 6.224 10.567 6.614 826 1HB ASN 113 1HB ASN 113 3.914 9.719 5.753 827 2HB ASN 113 2HB ASN 113 4.426 8.171 6.417 828 2HD2 ASN 113 2HD2 ASN 113 3.647 11.491 7.159 829 1HD2 ASN 113 1HD2 ASN 113 3.377 11.254 8.849 830 H ARG 114 H ARG 114 6.185 7.148 5.637 831 HA ARG 114 HA ARG 114 8.143 6.602 7.763 832 1HB ARG 114 1HB ARG 114 5.893 5.060 6.601 833 2HB ARG 114 2HB ARG 114 7.310 4.151 7.099 834 1HG ARG 114 1HG ARG 114 5.978 6.109 8.934 835 2HG ARG 114 2HG ARG 114 5.419 4.442 8.787 836 1HD ARG 114 1HD ARG 114 7.121 3.656 10.002 837 2HD ARG 114 2HD ARG 114 8.301 4.636 9.132 838 HE ARG 114 HE ARG 114 6.656 6.021 11.087 839 1HH1 ARG 114 1HH1 ARG 114 9.692 4.478 10.351 840 2HH1 ARG 114 2HH1 ARG 114 10.545 5.249 11.645 841 1HH2 ARG 114 1HH2 ARG 114 7.771 7.043 12.793 842 2HH2 ARG 114 2HH2 ARG 114 9.454 6.707 13.034 843 H CYS 115 H CYS 115 8.239 7.274 4.615 844 HA CYS 115 HA CYS 115 10.298 5.240 4.058 845 1HB CYS 115 1HB CYS 115 8.648 6.773 2.047 846 2HB CYS 115 2HB CYS 115 9.836 5.526 1.684 847 H LYS 116 H LYS 116 9.443 8.642 3.362 848 HA LYS 116 HA LYS 116 12.000 9.331 2.383 849 1HB LYS 116 1HB LYS 116 9.684 10.567 2.225 850 2HB LYS 116 2HB LYS 116 10.228 11.348 3.703 851 1HG LYS 116 1HG LYS 116 12.416 11.678 2.182 852 2HG LYS 116 2HG LYS 116 11.171 11.665 0.932 853 1HD LYS 116 1HD LYS 116 10.817 13.813 1.408 854 2HD LYS 116 2HD LYS 116 10.128 13.278 2.942 855 1HE LYS 116 1HE LYS 116 13.067 13.451 2.852 856 2HE LYS 116 2HE LYS 116 12.211 14.987 2.727 857 1HZ LYS 116 1HZ LYS 116 11.230 13.223 4.796 858 2HZ LYS 116 2HZ LYS 116 12.814 13.767 5.037 859 3HZ LYS 116 3HZ LYS 116 11.556 14.882 4.851 860 H GLY 117 H GLY 117 13.461 8.434 3.918 861 1HA GLY 117 1HA GLY 117 13.488 9.673 6.574 862 2HA GLY 117 2HA GLY 117 14.878 9.933 5.532 863 H THR 118 H THR 118 13.636 6.912 4.864 864 HA THR 118 HA THR 118 15.467 5.639 6.788 865 HB THR 118 HB THR 118 14.050 3.603 6.582 866 HG1 THR 118 HG1 THR 118 11.808 4.800 5.702 867 1HG2 THR 118 1HG2 THR 118 12.765 6.140 7.581 868 2HG2 THR 118 2HG2 THR 118 12.085 4.538 7.865 869 3HG2 THR 118 3HG2 THR 118 13.676 4.947 8.507 870 H ASP 119 H ASP 119 14.955 3.052 5.341 871 HA ASP 119 HA ASP 119 16.455 3.566 2.884 872 1HB ASP 119 1HB ASP 119 17.766 2.717 4.962 873 2HB ASP 119 2HB ASP 119 17.110 1.183 4.438 874 H VAL 120 H VAL 120 14.926 3.094 1.417 875 HA VAL 120 HA VAL 120 13.102 0.919 1.683 876 HB VAL 120 HB VAL 120 12.512 1.438 -0.689 877 1HG1 VAL 120 1HG1 VAL 120 11.767 2.709 1.528 878 2HG1 VAL 120 2HG1 VAL 120 12.515 4.064 0.682 879 3HG1 VAL 120 3HG1 VAL 120 11.189 3.177 -0.071 880 1HG2 VAL 120 1HG2 VAL 120 14.733 3.442 -0.361 881 2HG2 VAL 120 2HG2 VAL 120 14.563 2.198 -1.598 882 3HG2 VAL 120 3HG2 VAL 120 13.480 3.589 -1.594 883 H GLN 121 H GLN 121 16.201 1.433 0.143 884 HA GLN 121 HA GLN 121 16.242 -0.804 -1.551 885 1HB GLN 121 1HB GLN 121 17.945 1.210 -1.182 886 2HB GLN 121 2HB GLN 121 18.743 0.029 -0.153 887 1HG GLN 121 1HG GLN 121 18.048 -1.179 -2.653 888 2HG GLN 121 2HG GLN 121 18.944 0.314 -2.934 889 2HE2 GLN 121 2HE2 GLN 121 20.987 0.554 -1.765 890 1HE2 GLN 121 1HE2 GLN 121 21.943 -0.854 -1.469 891 H ALA 122 H ALA 122 16.449 -0.455 1.846 892 HA ALA 122 HA ALA 122 17.535 -3.119 2.279 893 1HB ALA 122 1HB ALA 122 18.194 -1.169 3.708 894 2HB ALA 122 2HB ALA 122 17.586 -2.562 4.602 895 3HB ALA 122 3HB ALA 122 16.551 -1.158 4.346 896 H TRP 123 H TRP 123 14.503 -1.493 2.051 897 HA TRP 123 HA TRP 123 12.907 -3.181 3.647 898 1HB TRP 123 1HB TRP 123 12.404 -1.291 1.407 899 2HB TRP 123 2HB TRP 123 11.137 -2.454 1.779 900 HD1 TRP 123 HD1 TRP 123 11.487 0.907 2.364 901 HE1 TRP 123 HE1 TRP 123 10.663 1.692 4.673 902 HE3 TRP 123 HE3 TRP 123 11.441 -3.564 4.813 903 HZ2 TRP 123 HZ2 TRP 123 10.083 0.531 7.169 904 HZ3 TRP 123 HZ3 TRP 123 10.741 -3.649 7.150 905 HH2 TRP 123 HH2 TRP 123 10.069 -1.619 8.316 906 H ILE 124 H ILE 124 14.520 -3.766 0.712 907 HA ILE 124 HA ILE 124 13.006 -6.270 0.355 908 HB ILE 124 HB ILE 124 13.623 -6.126 -2.081 909 1HG1 ILE 124 1HG1 ILE 124 13.866 -3.175 -1.813 910 2HG1 ILE 124 2HG1 ILE 124 15.280 -4.133 -1.384 911 1HG2 ILE 124 1HG2 ILE 124 11.458 -5.140 -0.714 912 2HG2 ILE 124 2HG2 ILE 124 11.919 -3.787 -1.747 913 3HG2 ILE 124 3HG2 ILE 124 11.560 -5.358 -2.461 914 1HD1 ILE 124 1HD1 ILE 124 13.875 -4.567 -3.986 915 2HD1 ILE 124 2HD1 ILE 124 15.045 -3.262 -3.789 916 3HD1 ILE 124 3HD1 ILE 124 15.541 -4.936 -3.540 917 H ARG 125 H ARG 125 15.655 -5.289 1.638 918 HA ARG 125 HA ARG 125 17.780 -6.515 0.241 919 1HB ARG 125 1HB ARG 125 17.447 -5.071 2.654 920 2HB ARG 125 2HB ARG 125 18.253 -6.577 3.068 921 1HG ARG 125 1HG ARG 125 19.226 -4.899 0.791 922 2HG ARG 125 2HG ARG 125 19.681 -4.528 2.456 923 1HD ARG 125 1HD ARG 125 19.980 -7.349 1.785 924 2HD ARG 125 2HD ARG 125 20.969 -6.291 0.779 925 HE ARG 125 HE ARG 125 21.141 -5.715 3.590 926 1HH1 ARG 125 1HH1 ARG 125 22.400 -7.646 0.977 927 2HH1 ARG 125 2HH1 ARG 125 23.925 -7.928 1.750 928 1HH2 ARG 125 1HH2 ARG 125 23.144 -6.082 4.615 929 2HH2 ARG 125 2HH2 ARG 125 24.347 -7.041 3.818 930 H GLY 126 H GLY 126 17.419 -8.597 -0.385 931 1HA GLY 126 1HA GLY 126 17.018 -10.554 1.794 932 2HA GLY 126 2HA GLY 126 18.056 -10.844 0.408 933 H CYS 127 H CYS 127 15.391 -9.198 -0.666 934 HA CYS 127 HA CYS 127 13.446 -11.222 -0.778 935 1HB CYS 127 1HB CYS 127 13.844 -8.609 -1.995 936 2HB CYS 127 2HB CYS 127 12.727 -9.675 -2.824 937 H ARG 128 H ARG 128 12.595 -11.401 -3.366 938 HA ARG 128 HA ARG 128 14.840 -12.665 -4.786 939 1HB ARG 128 1HB ARG 128 12.941 -14.127 -3.555 940 2HB ARG 128 2HB ARG 128 12.153 -13.873 -5.107 941 1HG ARG 128 1HG ARG 128 13.269 -15.705 -5.729 942 2HG ARG 128 2HG ARG 128 14.645 -14.611 -5.893 943 1HD ARG 128 1HD ARG 128 15.700 -15.936 -4.443 944 2HD ARG 128 2HD ARG 128 14.648 -15.248 -3.209 945 HE ARG 128 HE ARG 128 13.343 -17.399 -4.480 946 1HH1 ARG 128 1HH1 ARG 128 15.948 -16.739 -2.262 947 2HH1 ARG 128 2HH1 ARG 128 15.812 -18.261 -1.446 948 1HH2 ARG 128 1HH2 ARG 128 13.155 -19.404 -3.411 949 2HH2 ARG 128 2HH2 ARG 128 14.224 -19.776 -2.100 950 H LEU 129 H LEU 129 14.828 -10.553 -5.887 951 HA LEU 129 HA LEU 129 12.652 -10.295 -7.848 952 1HB LEU 129 1HB LEU 129 14.689 -8.288 -6.883 953 2HB LEU 129 2HB LEU 129 13.550 -7.985 -8.182 954 HG LEU 129 HG LEU 129 12.343 -8.884 -5.647 955 1HD1 LEU 129 1HD1 LEU 129 13.741 -6.227 -5.889 956 2HD1 LEU 129 2HD1 LEU 129 12.509 -6.593 -4.680 957 3HD1 LEU 129 3HD1 LEU 129 14.029 -7.487 -4.689 958 1HD2 LEU 129 1HD2 LEU 129 11.779 -6.821 -7.755 959 2HD2 LEU 129 2HD2 LEU 129 10.860 -8.273 -7.360 960 3HD2 LEU 129 3HD2 LEU 129 10.862 -6.901 -6.251 No H/Q in entry = 960 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -6.486 -10.262 2.912 2 H2 LYS 1 H2 LYS 1 -7.424 -9.435 1.775 3 H3 LYS 1 H3 LYS 1 -7.706 -11.076 2.071 4 HA LYS 1 HA LYS 1 -5.570 -11.666 1.168 5 1HB LYS 1 1HB LYS 1 -7.565 -10.092 -0.390 6 2HB LYS 1 2HB LYS 1 -6.069 -10.540 -1.200 7 1HG LYS 1 1HG LYS 1 -6.702 -12.918 -0.184 8 2HG LYS 1 2HG LYS 1 -8.323 -12.230 -0.300 9 1HD LYS 1 1HD LYS 1 -6.488 -11.994 -2.638 10 2HD LYS 1 2HD LYS 1 -7.261 -13.549 -2.315 11 1HE LYS 1 1HE LYS 1 -9.047 -12.783 -3.398 12 2HE LYS 1 2HE LYS 1 -9.299 -11.673 -2.051 13 1HZ LYS 1 1HZ LYS 1 -7.649 -10.187 -3.307 14 2HZ LYS 1 2HZ LYS 1 -7.999 -11.159 -4.646 15 3HZ LYS 1 3HZ LYS 1 -9.235 -10.290 -3.885 16 H VAL 2 H VAL 2 -3.881 -10.570 2.316 17 HA VAL 2 HA VAL 2 -3.000 -8.035 1.113 18 HB VAL 2 HB VAL 2 -2.291 -9.319 3.753 19 1HG1 VAL 2 1HG1 VAL 2 -0.522 -7.873 2.290 20 2HG1 VAL 2 2HG1 VAL 2 -1.326 -6.597 3.200 21 3HG1 VAL 2 3HG1 VAL 2 -0.542 -7.926 4.053 22 1HG2 VAL 2 1HG2 VAL 2 -4.390 -7.654 3.040 23 2HG2 VAL 2 2HG2 VAL 2 -3.815 -7.983 4.674 24 3HG2 VAL 2 3HG2 VAL 2 -3.215 -6.578 3.795 25 H PHE 3 H PHE 3 -1.016 -7.860 0.128 26 HA PHE 3 HA PHE 3 0.285 -10.279 -0.699 27 1HB PHE 3 1HB PHE 3 0.964 -7.360 -1.123 28 2HB PHE 3 2HB PHE 3 1.884 -8.687 -1.815 29 HD1 PHE 3 HD1 PHE 3 -0.587 -10.424 -2.451 30 HD2 PHE 3 HD2 PHE 3 0.368 -6.338 -3.149 31 HE1 PHE 3 HE1 PHE 3 -2.058 -10.418 -4.421 32 HE2 PHE 3 HE2 PHE 3 -1.095 -6.326 -5.116 33 HZ PHE 3 HZ PHE 3 -2.312 -8.366 -5.761 34 H GLY 4 H GLY 4 2.766 -10.298 -0.584 35 1HA GLY 4 1HA GLY 4 4.351 -10.935 1.057 36 2HA GLY 4 2HA GLY 4 3.513 -9.915 2.221 37 H ARG 5 H ARG 5 6.368 -9.970 1.563 38 HA ARG 5 HA ARG 5 6.656 -7.123 1.021 39 1HB ARG 5 1HB ARG 5 8.667 -9.176 1.962 40 2HB ARG 5 2HB ARG 5 9.006 -7.462 1.757 41 1HG ARG 5 1HG ARG 5 7.466 -6.886 3.498 42 2HG ARG 5 2HG ARG 5 6.919 -8.559 3.627 43 1HD ARG 5 1HD ARG 5 9.771 -8.434 3.903 44 2HD ARG 5 2HD ARG 5 9.011 -7.314 5.032 45 HE ARG 5 HE ARG 5 8.081 -9.106 6.161 46 1HH1 ARG 5 1HH1 ARG 5 9.624 -10.185 3.229 47 2HH1 ARG 5 2HH1 ARG 5 9.556 -11.862 3.657 48 1HH2 ARG 5 1HH2 ARG 5 7.987 -11.312 6.733 49 2HH2 ARG 5 2HH2 ARG 5 8.625 -12.503 5.648 50 H CYS 6 H CYS 6 8.274 -10.113 -0.079 51 HA CYS 6 HA CYS 6 9.258 -8.689 -2.392 52 1HB CYS 6 1HB CYS 6 9.514 -11.649 -2.024 53 2HB CYS 6 2HB CYS 6 10.581 -10.521 -2.853 54 H GLU 7 H GLU 7 6.825 -11.155 -1.682 55 HA GLU 7 HA GLU 7 6.181 -12.038 -4.201 56 1HB GLU 7 1HB GLU 7 4.177 -11.224 -2.081 57 2HB GLU 7 2HB GLU 7 3.881 -12.333 -3.413 58 1HG GLU 7 1HG GLU 7 5.949 -13.585 -2.306 59 2HG GLU 7 2HG GLU 7 5.337 -12.757 -0.875 60 H LEU 8 H LEU 8 4.989 -9.131 -2.587 61 HA LEU 8 HA LEU 8 3.581 -8.092 -4.799 62 1HB LEU 8 1HB LEU 8 3.165 -7.379 -2.489 63 2HB LEU 8 2HB LEU 8 4.766 -6.677 -2.407 64 HG LEU 8 HG LEU 8 2.666 -5.169 -2.812 65 1HD1 LEU 8 1HD1 LEU 8 5.091 -4.517 -2.795 66 2HD1 LEU 8 2HD1 LEU 8 5.084 -4.738 -4.544 67 3HD1 LEU 8 3HD1 LEU 8 4.042 -3.522 -3.805 68 1HD2 LEU 8 1HD2 LEU 8 2.215 -6.692 -4.932 69 2HD2 LEU 8 2HD2 LEU 8 1.819 -4.974 -4.916 70 3HD2 LEU 8 3HD2 LEU 8 3.305 -5.529 -5.688 71 H ALA 9 H ALA 9 6.910 -7.636 -3.613 72 HA ALA 9 HA ALA 9 7.623 -5.565 -5.378 73 1HB ALA 9 1HB ALA 9 9.219 -7.612 -3.897 74 2HB ALA 9 2HB ALA 9 9.102 -5.872 -3.627 75 3HB ALA 9 3HB ALA 9 9.991 -6.492 -5.019 76 H ALA 10 H ALA 10 8.137 -9.087 -5.718 77 HA ALA 10 HA ALA 10 9.380 -9.107 -8.173 78 1HB ALA 10 1HB ALA 10 8.076 -11.352 -8.446 79 2HB ALA 10 2HB ALA 10 9.280 -11.188 -7.168 80 3HB ALA 10 3HB ALA 10 7.565 -11.039 -6.787 81 H ALA 11 H ALA 11 5.962 -8.820 -7.362 82 HA ALA 11 HA ALA 11 4.985 -8.964 -9.993 83 1HB ALA 11 1HB ALA 11 2.933 -8.594 -9.107 84 2HB ALA 11 2HB ALA 11 3.783 -8.954 -7.604 85 3HB ALA 11 3HB ALA 11 3.511 -7.278 -8.084 86 H MET 12 H MET 12 6.167 -6.423 -8.036 87 HA MET 12 HA MET 12 5.453 -4.218 -9.653 88 1HB MET 12 1HB MET 12 7.989 -4.304 -8.048 89 2HB MET 12 2HB MET 12 6.968 -2.927 -8.383 90 1HG MET 12 1HG MET 12 6.102 -5.234 -6.685 91 2HG MET 12 2HG MET 12 6.870 -3.785 -6.046 92 1HE MET 12 1HE MET 12 6.067 -1.440 -6.857 93 2HE MET 12 2HE MET 12 5.233 -1.691 -8.389 94 3HE MET 12 3HE MET 12 4.366 -1.000 -7.018 95 H LYS 13 H LYS 13 8.458 -6.100 -9.472 96 HA LYS 13 HA LYS 13 9.954 -4.794 -11.385 97 1HB LYS 13 1HB LYS 13 10.174 -7.168 -9.925 98 2HB LYS 13 2HB LYS 13 10.274 -7.670 -11.608 99 1HG LYS 13 1HG LYS 13 12.037 -5.870 -11.891 100 2HG LYS 13 2HG LYS 13 12.054 -5.758 -10.129 101 1HD LYS 13 1HD LYS 13 13.495 -7.453 -10.097 102 2HD LYS 13 2HD LYS 13 12.214 -8.493 -10.724 103 1HE LYS 13 1HE LYS 13 13.012 -7.311 -13.004 104 2HE LYS 13 2HE LYS 13 14.527 -7.279 -12.103 105 1HZ LYS 13 1HZ LYS 13 13.419 -9.809 -11.772 106 2HZ LYS 13 2HZ LYS 13 13.315 -9.449 -13.421 107 3HZ LYS 13 3HZ LYS 13 14.813 -9.393 -12.637 108 H ARG 14 H ARG 14 7.715 -7.511 -11.850 109 HA ARG 14 HA ARG 14 7.978 -7.655 -14.645 110 1HB ARG 14 1HB ARG 14 6.893 -9.334 -13.007 111 2HB ARG 14 2HB ARG 14 5.446 -8.351 -13.177 112 1HG ARG 14 1HG ARG 14 5.115 -9.999 -14.752 113 2HG ARG 14 2HG ARG 14 5.803 -8.691 -15.716 114 1HD ARG 14 1HD ARG 14 7.015 -10.530 -16.430 115 2HD ARG 14 2HD ARG 14 8.069 -9.830 -15.203 116 HE ARG 14 HE ARG 14 6.491 -12.285 -14.946 117 1HH1 ARG 14 1HH1 ARG 14 8.820 -10.050 -13.635 118 2HH1 ARG 14 2HH1 ARG 14 9.358 -11.136 -12.398 119 1HH2 ARG 14 1HH2 ARG 14 7.192 -13.722 -13.321 120 2HH2 ARG 14 2HH2 ARG 14 8.434 -13.223 -12.219 121 H HIS 15 H HIS 15 5.871 -5.765 -12.532 122 HA HIS 15 HA HIS 15 4.280 -4.740 -14.658 123 1HB HIS 15 1HB HIS 15 4.509 -4.302 -11.730 124 2HB HIS 15 2HB HIS 15 3.770 -3.015 -12.678 125 HD1 HIS 15 HD1 HIS 15 2.384 -5.064 -10.574 126 HD2 HIS 15 HD2 HIS 15 2.090 -5.089 -14.719 127 HE1 HIS 15 HE1 HIS 15 0.237 -6.269 -11.089 128 HE2 HIS 15 HE2 HIS 15 0.125 -6.349 -13.604 129 H GLY 16 H GLY 16 7.471 -4.082 -13.891 130 1HA GLY 16 1HA GLY 16 7.473 -1.823 -15.586 131 2HA GLY 16 2HA GLY 16 8.851 -2.518 -14.761 132 H LEU 17 H LEU 17 7.417 -2.046 -12.042 133 HA LEU 17 HA LEU 17 7.432 0.855 -12.053 134 1HB LEU 17 1HB LEU 17 7.101 -0.816 -9.594 135 2HB LEU 17 2HB LEU 17 6.512 0.804 -9.899 136 HG LEU 17 HG LEU 17 5.314 -1.807 -10.562 137 1HD1 LEU 17 1HD1 LEU 17 4.662 0.377 -9.020 138 2HD1 LEU 17 2HD1 LEU 17 3.633 0.571 -10.439 139 3HD1 LEU 17 3HD1 LEU 17 3.562 -0.917 -9.495 140 1HD2 LEU 17 1HD2 LEU 17 5.153 0.553 -12.432 141 2HD2 LEU 17 2HD2 LEU 17 5.616 -1.105 -12.815 142 3HD2 LEU 17 3HD2 LEU 17 3.947 -0.732 -12.390 143 H ASP 18 H ASP 18 9.671 -1.473 -11.823 144 HA ASP 18 HA ASP 18 11.308 -0.413 -9.735 145 1HB ASP 18 1HB ASP 18 11.857 -2.609 -10.064 146 2HB ASP 18 2HB ASP 18 11.617 -2.528 -11.799 147 H ASN 19 H ASN 19 11.767 1.661 -9.991 148 HA ASN 19 HA ASN 19 12.800 3.550 -10.686 149 1HB ASN 19 1HB ASN 19 14.689 1.729 -10.959 150 2HB ASN 19 2HB ASN 19 14.442 2.027 -12.678 151 2HD2 ASN 19 2HD2 ASN 19 16.840 2.543 -11.405 152 1HD2 ASN 19 1HD2 ASN 19 17.114 4.249 -11.389 153 H TYR 20 H TYR 20 10.430 2.681 -11.969 154 HA TYR 20 HA TYR 20 10.566 3.180 -14.771 155 1HB TYR 20 1HB TYR 20 8.641 2.055 -13.589 156 2HB TYR 20 2HB TYR 20 8.195 3.625 -12.933 157 HD1 TYR 20 HD1 TYR 20 8.864 1.971 -16.217 158 HD2 TYR 20 HD2 TYR 20 6.635 4.893 -14.074 159 HE1 TYR 20 HE1 TYR 20 7.531 2.425 -18.233 160 HE2 TYR 20 HE2 TYR 20 5.296 5.356 -16.083 161 HH TYR 20 HH TYR 20 5.020 3.421 -18.595 162 H ARG 21 H ARG 21 9.372 5.209 -15.689 163 HA ARG 21 HA ARG 21 10.696 7.440 -15.566 164 1HB ARG 21 1HB ARG 21 7.717 7.121 -15.576 165 2HB ARG 21 2HB ARG 21 8.415 8.735 -15.566 166 1HG ARG 21 1HG ARG 21 9.579 8.293 -17.631 167 2HG ARG 21 2HG ARG 21 9.023 6.618 -17.620 168 1HD ARG 21 1HD ARG 21 7.605 7.762 -19.120 169 2HD ARG 21 2HD ARG 21 6.668 7.537 -17.643 170 HE ARG 21 HE ARG 21 7.247 9.897 -17.118 171 1HH1 ARG 21 1HH1 ARG 21 7.323 8.764 -20.412 172 2HH1 ARG 21 2HH1 ARG 21 7.050 10.333 -21.094 173 1HH2 ARG 21 1HH2 ARG 21 6.887 11.966 -18.007 174 2HH2 ARG 21 2HH2 ARG 21 6.803 12.153 -19.727 175 H GLY 22 H GLY 22 8.476 6.444 -13.044 176 1HA GLY 22 1HA GLY 22 8.029 7.310 -10.953 177 2HA GLY 22 2HA GLY 22 8.920 8.757 -11.398 178 H TYR 23 H TYR 23 8.992 5.808 -9.672 179 HA TYR 23 HA TYR 23 11.863 6.180 -9.165 180 1HB TYR 23 1HB TYR 23 9.628 5.999 -7.181 181 2HB TYR 23 2HB TYR 23 11.266 5.541 -6.729 182 HD1 TYR 23 HD1 TYR 23 9.430 8.357 -8.358 183 HD2 TYR 23 HD2 TYR 23 12.655 7.173 -5.849 184 HE1 TYR 23 HE1 TYR 23 9.959 10.719 -7.939 185 HE2 TYR 23 HE2 TYR 23 13.192 9.534 -5.421 186 HH TYR 23 HH TYR 23 12.253 11.689 -5.526 187 H SER 24 H SER 24 12.611 4.392 -7.529 188 HA SER 24 HA SER 24 12.406 1.938 -9.009 189 1HB SER 24 1HB SER 24 14.281 1.195 -7.704 190 2HB SER 24 2HB SER 24 14.575 2.867 -8.180 191 HG SER 24 HG SER 24 14.960 2.261 -5.894 192 H LEU 25 H LEU 25 12.315 -0.127 -7.888 193 HA LEU 25 HA LEU 25 9.940 -0.762 -6.820 194 1HB LEU 25 1HB LEU 25 12.588 -1.965 -6.892 195 2HB LEU 25 2HB LEU 25 11.632 -2.524 -5.533 196 HG LEU 25 HG LEU 25 10.349 -2.506 -8.204 197 1HD1 LEU 25 1HD1 LEU 25 12.468 -4.468 -7.350 198 2HD1 LEU 25 2HD1 LEU 25 11.304 -4.772 -8.640 199 3HD1 LEU 25 3HD1 LEU 25 12.461 -3.449 -8.790 200 1HD2 LEU 25 1HD2 LEU 25 10.273 -4.261 -5.759 201 2HD2 LEU 25 2HD2 LEU 25 9.011 -3.186 -6.359 202 3HD2 LEU 25 3HD2 LEU 25 9.427 -4.646 -7.257 203 H GLY 26 H GLY 26 12.843 -0.225 -4.792 204 1HA GLY 26 1HA GLY 26 13.013 0.687 -2.679 205 2HA GLY 26 2HA GLY 26 11.868 -0.588 -2.304 206 H ASN 27 H ASN 27 11.236 2.264 -4.286 207 HA ASN 27 HA ASN 27 9.951 3.729 -2.201 208 1HB ASN 27 1HB ASN 27 9.552 4.144 -5.161 209 2HB ASN 27 2HB ASN 27 9.409 5.335 -3.871 210 2HD2 ASN 27 2HD2 ASN 27 11.301 6.103 -2.866 211 1HD2 ASN 27 1HD2 ASN 27 12.836 6.003 -3.652 212 H TRP 28 H TRP 28 8.854 1.559 -4.728 213 HA TRP 28 HA TRP 28 6.069 2.029 -4.392 214 1HB TRP 28 1HB TRP 28 7.549 -0.303 -5.603 215 2HB TRP 28 2HB TRP 28 5.809 -0.037 -5.721 216 HD1 TRP 28 HD1 TRP 28 9.083 1.027 -7.217 217 HE1 TRP 28 HE1 TRP 28 8.661 2.698 -9.117 218 HE3 TRP 28 HE3 TRP 28 4.104 1.839 -6.466 219 HZ2 TRP 28 HZ2 TRP 28 6.489 4.159 -10.187 220 HZ3 TRP 28 HZ3 TRP 28 2.906 3.375 -7.964 221 HH2 TRP 28 HH2 TRP 28 4.078 4.517 -9.794 222 H VAL 29 H VAL 29 8.273 -0.504 -3.189 223 HA VAL 29 HA VAL 29 6.301 -1.998 -1.871 224 HB VAL 29 HB VAL 29 9.259 -1.785 -1.309 225 1HG1 VAL 29 1HG1 VAL 29 7.247 -3.069 0.191 226 2HG1 VAL 29 2HG1 VAL 29 8.151 -4.330 -0.646 227 3HG1 VAL 29 3HG1 VAL 29 8.995 -3.181 0.391 228 1HG2 VAL 29 1HG2 VAL 29 8.336 -2.549 -3.624 229 2HG2 VAL 29 2HG2 VAL 29 9.625 -3.465 -2.844 230 3HG2 VAL 29 3HG2 VAL 29 7.961 -4.044 -2.767 231 H CYS 30 H CYS 30 8.590 0.423 -0.638 232 HA CYS 30 HA CYS 30 7.735 0.304 2.023 233 1HB CYS 30 1HB CYS 30 9.848 1.352 1.296 234 2HB CYS 30 2HB CYS 30 8.929 2.669 0.570 235 H ALA 31 H ALA 31 6.672 2.437 -0.645 236 HA ALA 31 HA ALA 31 4.938 4.015 0.896 237 1HB ALA 31 1HB ALA 31 4.690 3.334 -2.030 238 2HB ALA 31 2HB ALA 31 3.977 4.718 -1.203 239 3HB ALA 31 3HB ALA 31 5.728 4.597 -1.368 240 H ALA 32 H ALA 32 4.324 1.088 -1.023 241 HA ALA 32 HA ALA 32 1.543 1.000 -0.490 242 1HB ALA 32 1HB ALA 32 2.128 -0.195 -2.371 243 2HB ALA 32 2HB ALA 32 1.906 -1.480 -1.185 244 3HB ALA 32 3HB ALA 32 3.530 -0.931 -1.598 245 H LYS 33 H LYS 33 4.303 -0.733 0.947 246 HA LYS 33 HA LYS 33 3.041 -2.446 2.643 247 1HB LYS 33 1HB LYS 33 5.365 -2.622 2.582 248 2HB LYS 33 2HB LYS 33 5.602 -0.906 2.872 249 1HG LYS 33 1HG LYS 33 6.279 -2.046 4.831 250 2HG LYS 33 2HG LYS 33 4.735 -1.274 5.196 251 1HD LYS 33 1HD LYS 33 3.603 -3.432 4.737 252 2HD LYS 33 2HD LYS 33 5.187 -4.177 4.511 253 1HE LYS 33 1HE LYS 33 4.342 -4.595 6.757 254 2HE LYS 33 2HE LYS 33 5.791 -3.593 6.806 255 1HZ LYS 33 1HZ LYS 33 3.067 -2.437 6.875 256 2HZ LYS 33 2HZ LYS 33 3.888 -2.896 8.280 257 3HZ LYS 33 3HZ LYS 33 4.529 -1.690 7.282 258 H PHE 34 H PHE 34 4.051 0.862 3.522 259 HA PHE 34 HA PHE 34 2.609 0.718 5.970 260 1HB PHE 34 1HB PHE 34 4.319 2.669 4.668 261 2HB PHE 34 2HB PHE 34 3.172 3.322 5.819 262 HD1 PHE 34 HD1 PHE 34 3.202 2.409 8.171 263 HD2 PHE 34 HD2 PHE 34 6.294 1.625 5.354 264 HE1 PHE 34 HE1 PHE 34 4.711 1.779 10.010 265 HE2 PHE 34 HE2 PHE 34 7.809 0.994 7.188 266 HZ PHE 34 HZ PHE 34 7.018 1.070 9.518 267 H GLU 35 H GLU 35 1.746 1.638 2.792 268 HA GLU 35 HA GLU 35 -0.263 3.514 3.399 269 1HB GLU 35 1HB GLU 35 0.867 2.317 1.116 270 2HB GLU 35 2HB GLU 35 -0.852 1.956 1.050 271 1HG GLU 35 1HG GLU 35 -1.426 4.257 1.087 272 2HG GLU 35 2HG GLU 35 0.230 4.727 1.471 273 H SER 36 H SER 36 -0.502 0.081 2.521 274 HA SER 36 HA SER 36 -3.067 -0.047 3.976 275 1HB SER 36 1HB SER 36 -3.740 -1.712 2.130 276 2HB SER 36 2HB SER 36 -3.696 -0.006 1.688 277 HG SER 36 HG SER 36 -1.414 -1.604 1.337 278 H ASN 37 H ASN 37 -0.086 -1.047 4.286 279 HA ASN 37 HA ASN 37 0.954 -2.857 5.229 280 1HB ASN 37 1HB ASN 37 -1.528 -2.659 6.501 281 2HB ASN 37 2HB ASN 37 -1.406 -4.355 6.045 282 2HD2 ASN 37 2HD2 ASN 37 0.481 -1.762 7.547 283 1HD2 ASN 37 1HD2 ASN 37 1.266 -2.771 8.708 284 H PHE 38 H PHE 38 0.015 -2.835 2.502 285 HA PHE 38 HA PHE 38 0.128 -4.073 0.665 286 1HB PHE 38 1HB PHE 38 0.964 -6.174 2.649 287 2HB PHE 38 2HB PHE 38 0.778 -6.539 0.936 288 HD1 PHE 38 HD1 PHE 38 1.797 -4.183 -0.382 289 HD2 PHE 38 HD2 PHE 38 3.236 -6.159 3.099 290 HE1 PHE 38 HE1 PHE 38 4.045 -3.298 -0.822 291 HE2 PHE 38 HE2 PHE 38 5.491 -5.278 2.666 292 HZ PHE 38 HZ PHE 38 5.901 -3.850 0.702 293 H ASN 39 H ASN 39 -2.332 -3.757 2.320 294 HA ASN 39 HA ASN 39 -3.865 -6.142 1.753 295 1HB ASN 39 1HB ASN 39 -4.251 -4.634 3.758 296 2HB ASN 39 2HB ASN 39 -4.924 -3.455 2.637 297 2HD2 ASN 39 2HD2 ASN 39 -6.410 -4.456 4.706 298 1HD2 ASN 39 1HD2 ASN 39 -7.669 -5.460 4.082 299 H THR 40 H THR 40 -4.343 -6.540 -0.293 300 HA THR 40 HA THR 40 -4.512 -4.524 -2.298 301 HB THR 40 HB THR 40 -4.655 -6.242 -3.813 302 HG1 THR 40 HG1 THR 40 -5.718 -8.318 -3.108 303 1HG2 THR 40 1HG2 THR 40 -3.651 -7.550 -1.294 304 2HG2 THR 40 2HG2 THR 40 -3.549 -8.306 -2.883 305 3HG2 THR 40 3HG2 THR 40 -2.703 -6.790 -2.572 306 H GLN 41 H GLN 41 -6.685 -6.087 -0.171 307 HA GLN 41 HA GLN 41 -9.052 -5.134 -1.574 308 1HB GLN 41 1HB GLN 41 -8.443 -7.143 0.515 309 2HB GLN 41 2HB GLN 41 -10.004 -6.362 0.613 310 1HG GLN 41 1HG GLN 41 -10.234 -6.997 -1.874 311 2HG GLN 41 2HG GLN 41 -8.908 -8.111 -1.542 312 2HE2 GLN 41 2HE2 GLN 41 -9.907 -10.028 -1.636 313 1HE2 GLN 41 1HE2 GLN 41 -11.236 -10.499 -0.637 314 H ALA 42 H ALA 42 -6.907 -3.722 0.329 315 HA ALA 42 HA ALA 42 -8.357 -2.670 2.495 316 1HB ALA 42 1HB ALA 42 -5.815 -2.009 1.132 317 2HB ALA 42 2HB ALA 42 -6.137 -2.361 2.829 318 3HB ALA 42 3HB ALA 42 -6.529 -0.774 2.168 319 H THR 43 H THR 43 -9.889 -1.210 2.606 320 HA THR 43 HA THR 43 -10.102 0.871 0.541 321 HB THR 43 HB THR 43 -12.453 0.626 0.332 322 HG1 THR 43 HG1 THR 43 -13.268 0.153 2.280 323 1HG2 THR 43 1HG2 THR 43 -10.792 -1.312 -0.548 324 2HG2 THR 43 2HG2 THR 43 -11.912 -2.275 0.415 325 3HG2 THR 43 3HG2 THR 43 -12.520 -1.272 -0.902 326 H ASN 44 H ASN 44 -10.101 2.847 1.529 327 HA ASN 44 HA ASN 44 -11.292 3.056 4.203 328 1HB ASN 44 1HB ASN 44 -8.573 2.968 3.859 329 2HB ASN 44 2HB ASN 44 -8.887 4.700 3.846 330 2HD2 ASN 44 2HD2 ASN 44 -10.256 5.509 5.646 331 1HD2 ASN 44 1HD2 ASN 44 -10.016 4.812 7.208 332 H ARG 45 H ARG 45 -12.828 4.526 4.123 333 HA ARG 45 HA ARG 45 -12.922 6.521 2.054 334 1HB ARG 45 1HB ARG 45 -15.032 7.220 3.198 335 2HB ARG 45 2HB ARG 45 -14.997 5.526 2.728 336 1HG ARG 45 1HG ARG 45 -15.401 4.907 4.812 337 2HG ARG 45 2HG ARG 45 -13.974 5.775 5.380 338 1HD ARG 45 1HD ARG 45 -15.905 6.614 6.539 339 2HD ARG 45 2HD ARG 45 -15.324 7.855 5.430 340 HE ARG 45 HE ARG 45 -17.616 6.112 4.797 341 1HH1 ARG 45 1HH1 ARG 45 -16.098 9.245 4.945 342 2HH1 ARG 45 2HH1 ARG 45 -17.424 10.065 4.191 343 1HH2 ARG 45 1HH2 ARG 45 -19.367 7.184 3.804 344 2HH2 ARG 45 2HH2 ARG 45 -19.281 8.894 3.544 345 H ASN 46 H ASN 46 -12.783 8.740 2.277 346 HA ASN 46 HA ASN 46 -11.432 9.660 4.726 347 1HB ASN 46 1HB ASN 46 -11.382 11.124 2.102 348 2HB ASN 46 2HB ASN 46 -10.254 11.240 3.448 349 2HD2 ASN 46 2HD2 ASN 46 -10.359 10.324 0.423 350 1HD2 ASN 46 1HD2 ASN 46 -9.292 8.964 0.433 351 H THR 47 H THR 47 -11.702 12.181 4.908 352 HA THR 47 HA THR 47 -14.534 12.613 5.319 353 HB THR 47 HB THR 47 -13.859 14.691 6.446 354 HG1 THR 47 HG1 THR 47 -11.819 15.415 6.364 355 1HG2 THR 47 1HG2 THR 47 -13.450 12.130 7.327 356 2HG2 THR 47 2HG2 THR 47 -11.878 12.878 7.615 357 3HG2 THR 47 3HG2 THR 47 -13.332 13.579 8.327 358 H ASP 48 H ASP 48 -12.068 13.613 3.090 359 HA ASP 48 HA ASP 48 -13.373 15.942 2.109 360 1HB ASP 48 1HB ASP 48 -11.822 15.625 0.136 361 2HB ASP 48 2HB ASP 48 -11.038 15.760 1.706 362 H GLY 49 H GLY 49 -14.053 12.656 1.780 363 1HA GLY 49 1HA GLY 49 -15.807 13.242 -0.524 364 2HA GLY 49 2HA GLY 49 -16.201 12.107 0.757 365 H SER 50 H SER 50 -12.997 12.231 -0.614 366 HA SER 50 HA SER 50 -13.468 10.168 -2.548 367 1HB SER 50 1HB SER 50 -10.798 10.144 -2.364 368 2HB SER 50 2HB SER 50 -11.669 11.391 -3.254 369 HG SER 50 HG SER 50 -10.062 12.173 -1.734 370 H THR 51 H THR 51 -11.490 8.385 -2.355 371 HA THR 51 HA THR 51 -11.306 7.214 0.268 372 HB THR 51 HB THR 51 -12.853 5.688 -1.832 373 HG1 THR 51 HG1 THR 51 -14.231 7.254 -1.073 374 1HG2 THR 51 1HG2 THR 51 -11.457 4.826 0.440 375 2HG2 THR 51 2HG2 THR 51 -13.164 4.793 0.885 376 3HG2 THR 51 3HG2 THR 51 -12.603 3.899 -0.527 377 H ASP 52 H ASP 52 -9.943 5.270 0.278 378 HA ASP 52 HA ASP 52 -8.209 5.136 -2.098 379 1HB ASP 52 1HB ASP 52 -7.594 4.581 0.812 380 2HB ASP 52 2HB ASP 52 -6.468 4.305 -0.514 381 H TYR 53 H TYR 53 -9.101 3.521 -3.260 382 HA TYR 53 HA TYR 53 -9.704 1.017 -1.876 383 1HB TYR 53 1HB TYR 53 -10.424 1.916 -4.667 384 2HB TYR 53 2HB TYR 53 -10.850 0.363 -3.960 385 HD1 TYR 53 HD1 TYR 53 -12.231 0.449 -1.756 386 HD2 TYR 53 HD2 TYR 53 -11.903 3.695 -4.485 387 HE1 TYR 53 HE1 TYR 53 -14.308 1.409 -0.855 388 HE2 TYR 53 HE2 TYR 53 -13.980 4.662 -3.594 389 HH TYR 53 HH TYR 53 -16.029 3.839 -2.394 390 H GLY 54 H GLY 54 -7.394 0.576 -1.658 391 1HA GLY 54 1HA GLY 54 -5.924 -0.005 -4.086 392 2HA GLY 54 2HA GLY 54 -6.517 -1.446 -3.289 393 H ILE 55 H ILE 55 -4.197 -1.881 -3.413 394 HA ILE 55 HA ILE 55 -2.976 -1.567 -0.851 395 HB ILE 55 HB ILE 55 -2.620 -3.552 -2.386 396 1HG1 ILE 55 1HG1 ILE 55 -0.087 -2.111 -1.567 397 2HG1 ILE 55 2HG1 ILE 55 -1.114 -3.033 -0.473 398 1HG2 ILE 55 1HG2 ILE 55 -2.378 -2.324 -4.475 399 2HG2 ILE 55 2HG2 ILE 55 -0.882 -1.596 -3.889 400 3HG2 ILE 55 3HG2 ILE 55 -0.963 -3.334 -4.176 401 1HD1 ILE 55 1HD1 ILE 55 -0.382 -4.599 -2.778 402 2HD1 ILE 55 2HD1 ILE 55 1.040 -3.973 -1.942 403 3HD1 ILE 55 3HD1 ILE 55 -0.148 -4.935 -1.062 404 H LEU 56 H LEU 56 -3.056 0.170 -3.781 405 HA LEU 56 HA LEU 56 -0.840 1.903 -2.927 406 1HB LEU 56 1HB LEU 56 -1.453 0.749 -5.484 407 2HB LEU 56 2HB LEU 56 -1.603 2.491 -5.604 408 HG LEU 56 HG LEU 56 0.615 2.141 -6.215 409 1HD1 LEU 56 1HD1 LEU 56 0.193 3.574 -4.012 410 2HD1 LEU 56 2HD1 LEU 56 1.264 2.348 -3.333 411 3HD1 LEU 56 3HD1 LEU 56 1.800 3.330 -4.696 412 1HD2 LEU 56 1HD2 LEU 56 0.289 -0.290 -4.813 413 2HD2 LEU 56 2HD2 LEU 56 1.613 0.191 -5.875 414 3HD2 LEU 56 3HD2 LEU 56 1.709 0.513 -4.143 415 H GLN 57 H GLN 57 -4.027 1.611 -2.690 416 HA GLN 57 HA GLN 57 -5.700 3.013 -2.144 417 1HB GLN 57 1HB GLN 57 -3.581 5.150 -2.390 418 2HB GLN 57 2HB GLN 57 -5.196 5.407 -1.745 419 1HG GLN 57 1HG GLN 57 -4.704 3.728 0.012 420 2HG GLN 57 2HG GLN 57 -3.051 3.640 -0.596 421 2HE2 GLN 57 2HE2 GLN 57 -2.247 6.084 -1.004 422 1HE2 GLN 57 1HE2 GLN 57 -2.359 7.065 0.413 423 H ILE 58 H ILE 58 -6.519 2.303 -4.354 424 HA ILE 58 HA ILE 58 -6.242 4.253 -6.458 425 HB ILE 58 HB ILE 58 -8.249 2.013 -6.423 426 1HG1 ILE 58 1HG1 ILE 58 -6.206 0.920 -5.820 427 2HG1 ILE 58 2HG1 ILE 58 -6.454 0.631 -7.538 428 1HG2 ILE 58 1HG2 ILE 58 -6.880 3.648 -8.521 429 2HG2 ILE 58 2HG2 ILE 58 -7.552 2.064 -8.909 430 3HG2 ILE 58 3HG2 ILE 58 -8.601 3.341 -8.291 431 1HD1 ILE 58 1HD1 ILE 58 -4.935 2.952 -7.429 432 2HD1 ILE 58 2HD1 ILE 58 -4.257 1.904 -6.183 433 3HD1 ILE 58 3HD1 ILE 58 -4.378 1.333 -7.847 434 H ASN 59 H ASN 59 -7.178 6.171 -5.952 435 HA ASN 59 HA ASN 59 -9.587 6.395 -4.485 436 1HB ASN 59 1HB ASN 59 -7.852 8.168 -4.607 437 2HB ASN 59 2HB ASN 59 -8.267 8.429 -6.298 438 2HD2 ASN 59 2HD2 ASN 59 -8.455 10.611 -5.024 439 1HD2 ASN 59 1HD2 ASN 59 -10.065 11.020 -4.548 440 H SER 60 H SER 60 -11.272 5.292 -5.396 441 HA SER 60 HA SER 60 -11.860 5.259 -8.155 442 1HB SER 60 1HB SER 60 -13.695 3.982 -7.589 443 2HB SER 60 2HB SER 60 -12.713 3.765 -6.142 444 HG SER 60 HG SER 60 -14.847 4.320 -5.601 445 H ARG 61 H ARG 61 -12.212 7.739 -5.872 446 HA ARG 61 HA ARG 61 -14.407 9.000 -7.351 447 1HB ARG 61 1HB ARG 61 -14.184 8.819 -4.727 448 2HB ARG 61 2HB ARG 61 -13.153 10.230 -4.930 449 1HG ARG 61 1HG ARG 61 -15.503 10.677 -6.437 450 2HG ARG 61 2HG ARG 61 -15.990 10.086 -4.847 451 1HD ARG 61 1HD ARG 61 -15.073 11.882 -3.748 452 2HD ARG 61 2HD ARG 61 -13.883 12.184 -5.014 453 HE ARG 61 HE ARG 61 -16.741 12.773 -5.416 454 1HH1 ARG 61 1HH1 ARG 61 -13.392 13.735 -5.438 455 2HH1 ARG 61 2HH1 ARG 61 -13.706 15.276 -6.166 456 1HH2 ARG 61 1HH2 ARG 61 -17.163 14.799 -6.374 457 2HH2 ARG 61 2HH2 ARG 61 -15.849 15.880 -6.696 458 H TRP 62 H TRP 62 -11.557 8.696 -8.218 459 HA TRP 62 HA TRP 62 -11.252 11.353 -9.272 460 1HB TRP 62 1HB TRP 62 -9.936 10.785 -6.863 461 2HB TRP 62 2HB TRP 62 -8.692 10.717 -8.107 462 HD1 TRP 62 HD1 TRP 62 -11.285 13.153 -6.623 463 HE1 TRP 62 HE1 TRP 62 -10.512 15.556 -7.124 464 HE3 TRP 62 HE3 TRP 62 -7.262 12.109 -9.603 465 HZ2 TRP 62 HZ2 TRP 62 -8.468 16.840 -8.588 466 HZ3 TRP 62 HZ3 TRP 62 -5.952 13.981 -10.513 467 HH2 TRP 62 HH2 TRP 62 -6.544 16.298 -10.016 468 H TRP 63 H TRP 63 -10.561 8.006 -9.354 469 HA TRP 63 HA TRP 63 -8.998 8.425 -11.806 470 1HB TRP 63 1HB TRP 63 -8.495 6.383 -9.634 471 2HB TRP 63 2HB TRP 63 -7.747 6.318 -11.227 472 HD1 TRP 63 HD1 TRP 63 -6.739 7.260 -7.954 473 HE1 TRP 63 HE1 TRP 63 -4.967 9.136 -7.969 474 HE3 TRP 63 HE3 TRP 63 -7.364 8.897 -12.721 475 HZ2 TRP 63 HZ2 TRP 63 -3.981 11.076 -9.794 476 HZ3 TRP 63 HZ3 TRP 63 -6.026 10.760 -13.541 477 HH2 TRP 63 HH2 TRP 63 -4.341 11.835 -12.110 478 H CYS 64 H CYS 64 -10.306 5.603 -10.130 479 HA CYS 64 HA CYS 64 -11.313 4.607 -12.667 480 1HB CYS 64 1HB CYS 64 -11.361 2.512 -11.709 481 2HB CYS 64 2HB CYS 64 -10.163 3.271 -10.666 482 H ASN 65 H ASN 65 -13.412 3.933 -13.078 483 HA ASN 65 HA ASN 65 -15.436 5.572 -11.760 484 1HB ASN 65 1HB ASN 65 -15.368 5.523 -14.224 485 2HB ASN 65 2HB ASN 65 -15.640 3.784 -14.197 486 2HD2 ASN 65 2HD2 ASN 65 -17.090 6.588 -12.568 487 1HD2 ASN 65 1HD2 ASN 65 -18.721 6.195 -12.978 488 H ASP 66 H ASP 66 -16.211 4.705 -9.934 489 HA ASP 66 HA ASP 66 -16.653 1.812 -9.810 490 1HB ASP 66 1HB ASP 66 -16.722 2.039 -7.423 491 2HB ASP 66 2HB ASP 66 -15.330 2.944 -8.011 492 H GLY 67 H GLY 67 -18.369 4.738 -10.207 493 1HA GLY 67 1HA GLY 67 -20.849 3.380 -10.465 494 2HA GLY 67 2HA GLY 67 -20.609 5.118 -10.519 495 H ARG 68 H ARG 68 -19.355 3.781 -7.680 496 HA ARG 68 HA ARG 68 -21.839 3.894 -6.193 497 1HB ARG 68 1HB ARG 68 -18.993 3.308 -5.377 498 2HB ARG 68 2HB ARG 68 -20.333 3.354 -4.240 499 1HG ARG 68 1HG ARG 68 -21.419 1.526 -5.395 500 2HG ARG 68 2HG ARG 68 -20.143 1.512 -6.615 501 1HD ARG 68 1HD ARG 68 -19.710 1.020 -3.672 502 2HD ARG 68 2HD ARG 68 -19.890 -0.250 -4.882 503 HE ARG 68 HE ARG 68 -17.618 1.574 -4.595 504 1HH1 ARG 68 1HH1 ARG 68 -19.125 -1.125 -6.203 505 2HH1 ARG 68 2HH1 ARG 68 -17.660 -1.657 -6.959 506 1HH2 ARG 68 1HH2 ARG 68 -15.685 0.881 -5.588 507 2HH2 ARG 68 2HH2 ARG 68 -15.706 -0.517 -6.610 508 H THR 69 H THR 69 -19.726 6.158 -7.295 509 HA THR 69 HA THR 69 -20.504 8.033 -5.176 510 HB THR 69 HB THR 69 -17.794 8.356 -6.382 511 HG1 THR 69 HG1 THR 69 -17.603 7.029 -4.052 512 1HG2 THR 69 1HG2 THR 69 -19.311 9.301 -4.041 513 2HG2 THR 69 2HG2 THR 69 -17.609 8.946 -3.743 514 3HG2 THR 69 3HG2 THR 69 -18.063 10.112 -4.986 515 HA PRO 70 HA PRO 70 -21.764 10.135 -8.948 516 1HB PRO 70 1HB PRO 70 -22.970 12.233 -7.712 517 2HB PRO 70 2HB PRO 70 -23.732 10.646 -7.879 518 1HG PRO 70 1HG PRO 70 -22.300 11.822 -5.527 519 2HG PRO 70 2HG PRO 70 -23.811 10.895 -5.568 520 1HD PRO 70 1HD PRO 70 -21.446 9.781 -4.877 521 2HD PRO 70 2HD PRO 70 -22.713 8.872 -5.725 522 H GLY 71 H GLY 71 -19.980 10.952 -9.928 523 1HA GLY 71 1HA GLY 71 -18.671 13.276 -8.666 524 2HA GLY 71 2HA GLY 71 -19.161 13.320 -10.352 525 H SER 72 H SER 72 -18.337 10.279 -10.197 526 HA SER 72 HA SER 72 -15.557 10.184 -9.861 527 1HB SER 72 1HB SER 72 -17.258 8.462 -11.681 528 2HB SER 72 2HB SER 72 -15.651 8.065 -11.072 529 HG SER 72 HG SER 72 -17.254 8.692 -9.021 530 H ARG 73 H ARG 73 -13.939 10.932 -11.046 531 HA ARG 73 HA ARG 73 -14.437 12.355 -13.479 532 1HB ARG 73 1HB ARG 73 -11.804 11.622 -12.185 533 2HB ARG 73 2HB ARG 73 -12.030 12.807 -13.464 534 1HG ARG 73 1HG ARG 73 -13.481 13.097 -10.868 535 2HG ARG 73 2HG ARG 73 -11.798 13.606 -11.021 536 1HD ARG 73 1HD ARG 73 -14.123 14.570 -12.683 537 2HD ARG 73 2HD ARG 73 -13.289 15.480 -11.425 538 HE ARG 73 HE ARG 73 -11.434 14.659 -13.376 539 1HH1 ARG 73 1HH1 ARG 73 -14.082 16.881 -12.934 540 2HH1 ARG 73 2HH1 ARG 73 -13.485 18.024 -14.089 541 1HH2 ARG 73 1HH2 ARG 73 -10.640 16.160 -14.899 542 2HH2 ARG 73 2HH2 ARG 73 -11.528 17.614 -15.207 543 H ASN 74 H ASN 74 -12.824 9.323 -12.636 544 HA ASN 74 HA ASN 74 -12.302 7.463 -13.861 545 1HB ASN 74 1HB ASN 74 -14.686 8.123 -14.849 546 2HB ASN 74 2HB ASN 74 -13.733 8.495 -16.282 547 2HD2 ASN 74 2HD2 ASN 74 -14.657 6.832 -17.458 548 1HD2 ASN 74 1HD2 ASN 74 -14.279 5.172 -17.166 549 H LEU 75 H LEU 75 -10.704 9.864 -13.856 550 HA LEU 75 HA LEU 75 -9.591 10.688 -16.228 551 1HB LEU 75 1HB LEU 75 -8.760 10.323 -13.427 552 2HB LEU 75 2HB LEU 75 -7.457 10.504 -14.578 553 HG LEU 75 HG LEU 75 -9.757 12.441 -14.170 554 1HD1 LEU 75 1HD1 LEU 75 -8.050 12.216 -12.292 555 2HD1 LEU 75 2HD1 LEU 75 -6.890 12.923 -13.417 556 3HD1 LEU 75 3HD1 LEU 75 -8.325 13.831 -12.944 557 1HD2 LEU 75 1HD2 LEU 75 -8.396 12.194 -16.444 558 2HD2 LEU 75 2HD2 LEU 75 -8.920 13.760 -15.824 559 3HD2 LEU 75 3HD2 LEU 75 -7.260 13.221 -15.570 560 H CYS 76 H CYS 76 -8.782 8.066 -14.173 561 HA CYS 76 HA CYS 76 -6.737 6.942 -15.804 562 1HB CYS 76 1HB CYS 76 -7.473 6.878 -13.204 563 2HB CYS 76 2HB CYS 76 -8.070 5.322 -13.758 564 H ASN 77 H ASN 77 -10.152 6.556 -15.352 565 HA ASN 77 HA ASN 77 -11.748 5.224 -16.311 566 1HB ASN 77 1HB ASN 77 -10.639 6.509 -18.302 567 2HB ASN 77 2HB ASN 77 -9.960 4.935 -18.708 568 2HD2 ASN 77 2HD2 ASN 77 -12.171 6.853 -19.751 569 1HD2 ASN 77 1HD2 ASN 77 -13.462 5.768 -20.125 570 H ILE 78 H ILE 78 -10.457 3.807 -14.575 571 HA ILE 78 HA ILE 78 -9.790 1.295 -15.931 572 HB ILE 78 HB ILE 78 -8.020 0.889 -14.590 573 1HG1 ILE 78 1HG1 ILE 78 -9.718 2.131 -12.492 574 2HG1 ILE 78 2HG1 ILE 78 -8.778 0.645 -12.442 575 1HG2 ILE 78 1HG2 ILE 78 -7.621 3.028 -15.705 576 2HG2 ILE 78 2HG2 ILE 78 -8.245 3.876 -14.290 577 3HG2 ILE 78 3HG2 ILE 78 -6.765 2.924 -14.167 578 1HD1 ILE 78 1HD1 ILE 78 -6.725 2.102 -12.279 579 2HD1 ILE 78 2HD1 ILE 78 -7.823 3.457 -12.018 580 3HD1 ILE 78 3HD1 ILE 78 -7.802 2.108 -10.883 581 HA PRO 79 HA PRO 79 -12.904 -0.543 -13.339 582 1HB PRO 79 1HB PRO 79 -12.334 -3.137 -13.675 583 2HB PRO 79 2HB PRO 79 -12.912 -2.153 -15.027 584 1HG PRO 79 1HG PRO 79 -10.161 -3.114 -14.421 585 2HG PRO 79 2HG PRO 79 -10.949 -2.874 -15.988 586 1HD PRO 79 1HD PRO 79 -9.156 -1.107 -14.733 587 2HD PRO 79 2HD PRO 79 -10.189 -0.742 -16.129 588 H CYS 80 H CYS 80 -12.586 -0.099 -11.178 589 HA CYS 80 HA CYS 80 -10.265 -0.711 -9.755 590 1HB CYS 80 1HB CYS 80 -12.996 0.182 -9.040 591 2HB CYS 80 2HB CYS 80 -12.039 -0.539 -7.749 592 H SER 81 H SER 81 -13.376 -2.487 -9.817 593 HA SER 81 HA SER 81 -12.756 -4.469 -8.014 594 1HB SER 81 1HB SER 81 -14.458 -5.810 -9.068 595 2HB SER 81 2HB SER 81 -14.968 -4.122 -9.142 596 HG SER 81 HG SER 81 -13.992 -4.149 -11.314 597 H ALA 82 H ALA 82 -11.642 -4.127 -11.320 598 HA ALA 82 HA ALA 82 -10.663 -6.787 -11.617 599 1HB ALA 82 1HB ALA 82 -11.126 -4.813 -13.359 600 2HB ALA 82 2HB ALA 82 -10.041 -6.161 -13.701 601 3HB ALA 82 3HB ALA 82 -9.386 -4.615 -13.163 602 H LEU 83 H LEU 83 -9.618 -4.269 -9.724 603 HA LEU 83 HA LEU 83 -6.827 -5.204 -9.731 604 1HB LEU 83 1HB LEU 83 -6.109 -3.119 -9.102 605 2HB LEU 83 2HB LEU 83 -7.499 -2.704 -10.086 606 HG LEU 83 HG LEU 83 -8.670 -2.847 -7.650 607 1HD1 LEU 83 1HD1 LEU 83 -5.882 -2.820 -7.109 608 2HD1 LEU 83 2HD1 LEU 83 -6.559 -1.265 -6.623 609 3HD1 LEU 83 3HD1 LEU 83 -7.229 -2.761 -5.972 610 1HD2 LEU 83 1HD2 LEU 83 -8.680 -1.020 -9.398 611 2HD2 LEU 83 2HD2 LEU 83 -8.766 -0.489 -7.719 612 3HD2 LEU 83 3HD2 LEU 83 -7.244 -0.378 -8.602 613 H LEU 84 H LEU 84 -9.707 -5.343 -7.999 614 HA LEU 84 HA LEU 84 -8.330 -5.851 -5.461 615 1HB LEU 84 1HB LEU 84 -11.297 -5.803 -5.671 616 2HB LEU 84 2HB LEU 84 -10.257 -5.273 -4.358 617 HG LEU 84 HG LEU 84 -10.218 -3.761 -6.930 618 1HD1 LEU 84 1HD1 LEU 84 -12.609 -4.222 -5.613 619 2HD1 LEU 84 2HD1 LEU 84 -12.082 -2.647 -5.022 620 3HD1 LEU 84 3HD1 LEU 84 -12.266 -2.923 -6.754 621 1HD2 LEU 84 1HD2 LEU 84 -8.715 -3.430 -4.833 622 2HD2 LEU 84 2HD2 LEU 84 -9.398 -2.026 -5.653 623 3HD2 LEU 84 3HD2 LEU 84 -10.137 -2.625 -4.169 624 H SER 85 H SER 85 -8.062 -7.736 -7.484 625 HA SER 85 HA SER 85 -9.468 -10.002 -6.273 626 1HB SER 85 1HB SER 85 -8.860 -9.928 -9.227 627 2HB SER 85 2HB SER 85 -9.935 -11.026 -8.362 628 HG SER 85 HG SER 85 -10.477 -8.625 -9.459 629 H SER 86 H SER 86 -7.003 -8.932 -5.707 630 HA SER 86 HA SER 86 -4.932 -9.665 -5.078 631 1HB SER 86 1HB SER 86 -6.122 -11.991 -5.133 632 2HB SER 86 2HB SER 86 -5.278 -12.199 -6.667 633 HG SER 86 HG SER 86 -3.457 -12.440 -5.631 634 H ASP 87 H ASP 87 -5.859 -8.439 -7.635 635 HA ASP 87 HA ASP 87 -3.477 -8.912 -9.286 636 1HB ASP 87 1HB ASP 87 -5.767 -9.564 -10.150 637 2HB ASP 87 2HB ASP 87 -6.149 -7.849 -10.157 638 H ILE 88 H ILE 88 -2.062 -7.269 -8.942 639 HA ILE 88 HA ILE 88 -3.121 -4.594 -8.444 640 HB ILE 88 HB ILE 88 -0.495 -4.172 -8.301 641 1HG1 ILE 88 1HG1 ILE 88 -0.423 -6.806 -6.992 642 2HG1 ILE 88 2HG1 ILE 88 -0.474 -6.869 -8.750 643 1HG2 ILE 88 1HG2 ILE 88 -2.410 -5.205 -6.254 644 2HG2 ILE 88 2HG2 ILE 88 -0.745 -4.827 -5.814 645 3HG2 ILE 88 3HG2 ILE 88 -1.787 -3.571 -6.484 646 1HD1 ILE 88 1HD1 ILE 88 1.439 -4.927 -7.739 647 2HD1 ILE 88 2HD1 ILE 88 1.771 -6.577 -7.212 648 3HD1 ILE 88 3HD1 ILE 88 1.643 -6.210 -8.931 649 H THR 89 H THR 89 -3.317 -5.855 -11.055 650 HA THR 89 HA THR 89 -1.357 -4.560 -12.735 651 HB THR 89 HB THR 89 -3.960 -5.772 -13.671 652 HG1 THR 89 HG1 THR 89 -1.517 -7.200 -13.410 653 1HG2 THR 89 1HG2 THR 89 -1.262 -5.320 -14.941 654 2HG2 THR 89 2HG2 THR 89 -2.526 -6.313 -15.666 655 3HG2 THR 89 3HG2 THR 89 -2.802 -4.592 -15.394 656 H ALA 90 H ALA 90 -4.844 -4.252 -12.127 657 HA ALA 90 HA ALA 90 -5.180 -1.950 -13.673 658 1HB ALA 90 1HB ALA 90 -6.819 -3.644 -12.069 659 2HB ALA 90 2HB ALA 90 -7.165 -1.957 -11.687 660 3HB ALA 90 3HB ALA 90 -7.294 -2.529 -13.351 661 H SER 91 H SER 91 -4.578 -2.463 -10.230 662 HA SER 91 HA SER 91 -4.812 0.235 -9.423 663 1HB SER 91 1HB SER 91 -2.995 -0.925 -7.671 664 2HB SER 91 2HB SER 91 -4.748 -0.891 -7.477 665 HG SER 91 HG SER 91 -4.704 -2.881 -8.796 666 H VAL 92 H VAL 92 -2.085 -1.686 -10.524 667 HA VAL 92 HA VAL 92 -0.212 0.414 -10.033 668 HB VAL 92 HB VAL 92 0.047 -2.116 -11.641 669 1HG1 VAL 92 1HG1 VAL 92 1.907 0.247 -11.502 670 2HG1 VAL 92 2HG1 VAL 92 2.517 -1.380 -11.806 671 3HG1 VAL 92 3HG1 VAL 92 1.363 -0.647 -12.921 672 1HG2 VAL 92 1HG2 VAL 92 0.351 -1.556 -8.951 673 2HG2 VAL 92 2HG2 VAL 92 0.998 -2.961 -9.798 674 3HG2 VAL 92 3HG2 VAL 92 2.004 -1.530 -9.566 675 H ASN 93 H ASN 93 -1.702 -0.832 -13.033 676 HA ASN 93 HA ASN 93 -0.593 0.757 -14.862 677 1HB ASN 93 1HB ASN 93 -2.112 -0.265 -16.094 678 2HB ASN 93 2HB ASN 93 -2.947 -0.741 -14.639 679 2HD2 ASN 93 2HD2 ASN 93 -2.760 1.626 -17.177 680 1HD2 ASN 93 1HD2 ASN 93 -4.327 2.311 -16.929 681 H CYS 94 H CYS 94 -3.200 1.601 -12.680 682 HA CYS 94 HA CYS 94 -3.652 4.208 -13.611 683 1HB CYS 94 1HB CYS 94 -4.955 2.697 -11.868 684 2HB CYS 94 2HB CYS 94 -3.976 3.594 -10.710 685 H ALA 95 H ALA 95 -1.564 2.992 -10.981 686 HA ALA 95 HA ALA 95 -0.588 5.590 -10.335 687 1HB ALA 95 1HB ALA 95 -0.266 4.269 -8.551 688 2HB ALA 95 2HB ALA 95 1.323 4.104 -9.297 689 3HB ALA 95 3HB ALA 95 0.109 2.846 -9.523 690 H LYS 96 H LYS 96 0.564 3.020 -12.472 691 HA LYS 96 HA LYS 96 3.099 3.901 -13.054 692 1HB LYS 96 1HB LYS 96 1.476 1.978 -14.091 693 2HB LYS 96 2HB LYS 96 1.461 3.147 -15.405 694 1HG LYS 96 1HG LYS 96 3.607 2.752 -15.964 695 2HG LYS 96 2HG LYS 96 4.110 2.502 -14.291 696 1HD LYS 96 1HD LYS 96 4.214 0.330 -14.820 697 2HD LYS 96 2HD LYS 96 2.451 0.362 -14.751 698 1HE LYS 96 1HE LYS 96 2.954 -0.614 -16.824 699 2HE LYS 96 2HE LYS 96 2.532 1.055 -17.201 700 1HZ LYS 96 1HZ LYS 96 5.305 0.840 -16.691 701 2HZ LYS 96 2HZ LYS 96 4.857 -0.281 -17.876 702 3HZ LYS 96 3HZ LYS 96 4.520 1.362 -18.095 703 H LYS 97 H LYS 97 -0.009 4.987 -13.930 704 HA LYS 97 HA LYS 97 0.851 7.110 -15.715 705 1HB LYS 97 1HB LYS 97 -1.426 5.743 -15.695 706 2HB LYS 97 2HB LYS 97 -1.914 7.021 -14.591 707 1HG LYS 97 1HG LYS 97 -2.571 7.991 -16.520 708 2HG LYS 97 2HG LYS 97 -0.891 8.530 -16.536 709 1HD LYS 97 1HD LYS 97 -0.968 7.660 -18.631 710 2HD LYS 97 2HD LYS 97 -0.589 6.173 -17.759 711 1HE LYS 97 1HE LYS 97 -3.230 6.059 -17.564 712 2HE LYS 97 2HE LYS 97 -3.133 7.048 -19.020 713 1HZ LYS 97 1HZ LYS 97 -1.805 4.415 -18.666 714 2HZ LYS 97 2HZ LYS 97 -3.253 4.662 -19.504 715 3HZ LYS 97 3HZ LYS 97 -1.817 5.348 -20.077 716 H ILE 98 H ILE 98 -0.236 6.723 -12.396 717 HA ILE 98 HA ILE 98 -0.550 9.420 -11.747 718 HB ILE 98 HB ILE 98 0.199 7.108 -9.985 719 1HG1 ILE 98 1HG1 ILE 98 -2.425 8.601 -10.209 720 2HG1 ILE 98 2HG1 ILE 98 -2.069 7.149 -11.139 721 1HG2 ILE 98 1HG2 ILE 98 0.032 9.979 -9.418 722 2HG2 ILE 98 2HG2 ILE 98 -0.891 8.955 -8.318 723 3HG2 ILE 98 3HG2 ILE 98 0.841 8.690 -8.527 724 1HD1 ILE 98 1HD1 ILE 98 -1.798 7.102 -8.170 725 2HD1 ILE 98 2HD1 ILE 98 -3.392 6.985 -8.916 726 3HD1 ILE 98 3HD1 ILE 98 -2.154 5.787 -9.290 727 H VAL 99 H VAL 99 2.238 7.289 -11.369 728 HA VAL 99 HA VAL 99 3.975 9.320 -10.410 729 HB VAL 99 HB VAL 99 4.132 6.732 -10.157 730 1HG1 VAL 99 1HG1 VAL 99 4.319 6.284 -12.576 731 2HG1 VAL 99 2HG1 VAL 99 5.854 7.152 -12.595 732 3HG1 VAL 99 3HG1 VAL 99 5.694 5.664 -11.663 733 1HG2 VAL 99 1HG2 VAL 99 6.502 8.553 -10.507 734 2HG2 VAL 99 2HG2 VAL 99 5.607 8.228 -9.022 735 3HG2 VAL 99 3HG2 VAL 99 6.581 6.957 -9.761 736 H SER 100 H SER 100 3.073 8.182 -13.578 737 HA SER 100 HA SER 100 5.325 9.444 -14.891 738 1HB SER 100 1HB SER 100 4.262 7.415 -15.850 739 2HB SER 100 2HB SER 100 2.769 8.326 -16.079 740 HG SER 100 HG SER 100 4.897 9.618 -17.148 741 H ASP 101 H ASP 101 2.470 10.432 -13.516 742 HA ASP 101 HA ASP 101 2.041 12.684 -15.328 743 1HB ASP 101 1HB ASP 101 0.370 11.161 -13.572 744 2HB ASP 101 2HB ASP 101 0.317 12.852 -13.080 745 H GLY 102 H GLY 102 3.975 12.021 -12.724 746 1HA GLY 102 1HA GLY 102 3.832 14.791 -11.716 747 2HA GLY 102 2HA GLY 102 5.363 14.105 -12.233 748 H ASN 103 H ASN 103 2.672 12.916 -10.215 749 HA ASN 103 HA ASN 103 3.960 13.088 -7.756 750 1HB ASN 103 1HB ASN 103 1.989 10.918 -8.461 751 2HB ASN 103 2HB ASN 103 2.246 11.686 -6.897 752 2HD2 ASN 103 2HD2 ASN 103 1.411 13.734 -6.520 753 1HD2 ASN 103 1HD2 ASN 103 0.200 14.434 -7.533 754 H GLY 104 H GLY 104 6.061 12.364 -7.756 755 1HA GLY 104 1HA GLY 104 7.796 10.820 -8.227 756 2HA GLY 104 2HA GLY 104 6.582 9.593 -8.541 757 H MET 105 H MET 105 5.200 9.090 -6.500 758 HA MET 105 HA MET 105 5.304 7.811 -4.602 759 1HB MET 105 1HB MET 105 8.105 8.849 -4.140 760 2HB MET 105 2HB MET 105 7.331 7.489 -3.341 761 1HG MET 105 1HG MET 105 8.437 7.682 -6.103 762 2HG MET 105 2HG MET 105 8.719 6.461 -4.863 763 1HE MET 105 1HE MET 105 6.876 5.039 -3.926 764 2HE MET 105 2HE MET 105 5.311 5.816 -4.168 765 3HE MET 105 3HE MET 105 5.648 4.257 -4.922 766 H ASN 106 H ASN 106 5.270 10.960 -5.092 767 HA ASN 106 HA ASN 106 5.334 11.848 -2.332 768 1HB ASN 106 1HB ASN 106 5.308 13.107 -5.015 769 2HB ASN 106 2HB ASN 106 4.553 14.008 -3.715 770 2HD2 ASN 106 2HD2 ASN 106 5.831 15.282 -2.574 771 1HD2 ASN 106 1HD2 ASN 106 7.549 15.147 -2.452 772 H ALA 107 H ALA 107 3.043 11.147 -4.889 773 HA ALA 107 HA ALA 107 0.773 12.413 -3.830 774 1HB ALA 107 1HB ALA 107 1.286 10.293 -5.810 775 2HB ALA 107 2HB ALA 107 -0.316 10.278 -5.074 776 3HB ALA 107 3HB ALA 107 0.254 11.720 -5.914 777 H TRP 108 H TRP 108 2.332 9.394 -3.081 778 HA TRP 108 HA TRP 108 0.177 8.572 -1.307 779 1HB TRP 108 1HB TRP 108 2.806 7.206 -1.925 780 2HB TRP 108 2HB TRP 108 1.448 6.503 -1.050 781 HD1 TRP 108 HD1 TRP 108 -0.673 5.730 -2.480 782 HE1 TRP 108 HE1 TRP 108 -0.997 5.273 -4.993 783 HE3 TRP 108 HE3 TRP 108 3.550 7.987 -4.267 784 HZ2 TRP 108 HZ2 TRP 108 0.358 5.802 -7.420 785 HZ3 TRP 108 HZ3 TRP 108 3.962 7.970 -6.692 786 HH2 TRP 108 HH2 TRP 108 2.400 6.899 -8.233 787 H VAL 109 H VAL 109 0.119 9.170 0.724 788 HA VAL 109 HA VAL 109 2.179 10.668 1.962 789 HB VAL 109 HB VAL 109 0.196 9.528 3.713 790 1HG1 VAL 109 1HG1 VAL 109 1.490 12.127 3.203 791 2HG1 VAL 109 2HG1 VAL 109 -0.108 12.161 3.948 792 3HG1 VAL 109 3HG1 VAL 109 1.209 11.283 4.725 793 1HG2 VAL 109 1HG2 VAL 109 -0.599 10.961 1.229 794 2HG2 VAL 109 2HG2 VAL 109 -1.374 9.592 2.027 795 3HG2 VAL 109 3HG2 VAL 109 -1.526 11.212 2.709 796 H ALA 110 H ALA 110 1.459 7.281 1.969 797 HA ALA 110 HA ALA 110 2.721 6.656 4.432 798 1HB ALA 110 1HB ALA 110 1.895 5.071 2.036 799 2HB ALA 110 2HB ALA 110 1.330 4.961 3.702 800 3HB ALA 110 3HB ALA 110 2.919 4.332 3.267 801 H TRP 111 H TRP 111 3.890 7.346 1.262 802 HA TRP 111 HA TRP 111 6.496 6.203 1.780 803 1HB TRP 111 1HB TRP 111 5.634 6.170 -0.512 804 2HB TRP 111 2HB TRP 111 5.549 7.923 -0.521 805 HD1 TRP 111 HD1 TRP 111 7.974 5.047 -0.939 806 HE1 TRP 111 HE1 TRP 111 10.258 5.962 -1.693 807 HE3 TRP 111 HE3 TRP 111 7.103 10.047 -0.305 808 HZ2 TRP 111 HZ2 TRP 111 11.523 8.466 -1.985 809 HZ3 TRP 111 HZ3 TRP 111 8.903 11.634 -0.845 810 HH2 TRP 111 HH2 TRP 111 11.067 10.859 -1.666 811 H ARG 112 H ARG 112 4.942 9.397 1.823 812 HA ARG 112 HA ARG 112 7.476 10.664 2.491 813 1HB ARG 112 1HB ARG 112 4.805 11.535 1.607 814 2HB ARG 112 2HB ARG 112 5.607 12.599 2.756 815 1HG ARG 112 1HG ARG 112 7.544 11.947 0.841 816 2HG ARG 112 2HG ARG 112 6.062 12.284 -0.058 817 1HD ARG 112 1HD ARG 112 7.131 14.099 2.091 818 2HD ARG 112 2HD ARG 112 7.566 14.264 0.390 819 HE ARG 112 HE ARG 112 4.726 14.252 1.004 820 1HH1 ARG 112 1HH1 ARG 112 7.589 16.122 0.331 821 2HH1 ARG 112 2HH1 ARG 112 6.709 17.541 -0.128 822 1HH2 ARG 112 1HH2 ARG 112 3.560 16.116 0.402 823 2HH2 ARG 112 2HH2 ARG 112 4.420 17.539 -0.088 824 H ASN 113 H ASN 113 6.806 8.819 4.346 825 HA ASN 113 HA ASN 113 6.474 10.450 6.703 826 1HB ASN 113 1HB ASN 113 4.138 9.759 6.022 827 2HB ASN 113 2HB ASN 113 4.621 8.093 6.329 828 2HD2 ASN 113 2HD2 ASN 113 4.847 11.250 7.941 829 1HD2 ASN 113 1HD2 ASN 113 4.365 10.678 9.498 830 H ARG 114 H ARG 114 6.381 7.036 5.723 831 HA ARG 114 HA ARG 114 8.400 6.465 7.783 832 1HB ARG 114 1HB ARG 114 6.118 4.942 6.658 833 2HB ARG 114 2HB ARG 114 7.543 4.025 7.113 834 1HG ARG 114 1HG ARG 114 6.244 5.963 8.995 835 2HG ARG 114 2HG ARG 114 5.704 4.289 8.852 836 1HD ARG 114 1HD ARG 114 7.332 3.644 10.214 837 2HD ARG 114 2HD ARG 114 8.531 4.278 9.088 838 HE ARG 114 HE ARG 114 8.195 6.459 10.284 839 1HH1 ARG 114 1HH1 ARG 114 7.583 3.407 11.849 840 2HH1 ARG 114 2HH1 ARG 114 7.882 4.017 13.442 841 1HH2 ARG 114 1HH2 ARG 114 8.592 7.271 12.378 842 2HH2 ARG 114 2HH2 ARG 114 8.455 6.214 13.743 843 H CYS 115 H CYS 115 8.437 7.184 4.651 844 HA CYS 115 HA CYS 115 10.472 5.147 4.021 845 1HB CYS 115 1HB CYS 115 8.777 6.696 2.060 846 2HB CYS 115 2HB CYS 115 9.948 5.443 1.665 847 H LYS 116 H LYS 116 9.604 8.554 3.351 848 HA LYS 116 HA LYS 116 12.142 9.238 2.322 849 1HB LYS 116 1HB LYS 116 9.876 10.485 2.131 850 2HB LYS 116 2HB LYS 116 10.319 11.209 3.671 851 1HG LYS 116 1HG LYS 116 12.507 11.867 2.514 852 2HG LYS 116 2HG LYS 116 11.666 11.489 1.011 853 1HD LYS 116 1HD LYS 116 11.029 13.648 1.111 854 2HD LYS 116 2HD LYS 116 9.822 13.041 2.246 855 1HE LYS 116 1HE LYS 116 10.656 14.512 3.701 856 2HE LYS 116 2HE LYS 116 12.041 13.428 3.832 857 1HZ LYS 116 1HZ LYS 116 12.639 14.861 1.634 858 2HZ LYS 116 2HZ LYS 116 11.845 16.017 2.579 859 3HZ LYS 116 3HZ LYS 116 13.200 15.211 3.193 860 H GLY 117 H GLY 117 13.640 8.352 3.823 861 1HA GLY 117 1HA GLY 117 13.719 9.596 6.476 862 2HA GLY 117 2HA GLY 117 15.090 9.843 5.406 863 H THR 118 H THR 118 13.781 6.825 4.810 864 HA THR 118 HA THR 118 15.636 5.546 6.707 865 HB THR 118 HB THR 118 14.224 3.533 6.559 866 HG1 THR 118 HG1 THR 118 12.932 5.096 4.652 867 1HG2 THR 118 1HG2 THR 118 13.527 6.010 7.804 868 2HG2 THR 118 2HG2 THR 118 12.051 5.164 7.336 869 3HG2 THR 118 3HG2 THR 118 13.235 4.366 8.371 870 H ASP 119 H ASP 119 15.129 2.962 5.265 871 HA ASP 119 HA ASP 119 16.644 3.476 2.814 872 1HB ASP 119 1HB ASP 119 17.921 2.587 4.897 873 2HB ASP 119 2HB ASP 119 17.246 1.070 4.353 874 H VAL 120 H VAL 120 15.113 3.045 1.334 875 HA VAL 120 HA VAL 120 13.270 0.878 1.568 876 HB VAL 120 HB VAL 120 12.687 1.453 -0.802 877 1HG1 VAL 120 1HG1 VAL 120 12.464 3.181 1.543 878 2HG1 VAL 120 2HG1 VAL 120 12.220 4.020 0.012 879 3HG1 VAL 120 3HG1 VAL 120 11.223 2.624 0.420 880 1HG2 VAL 120 1HG2 VAL 120 15.127 2.407 -1.101 881 2HG2 VAL 120 2HG2 VAL 120 13.769 3.066 -2.014 882 3HG2 VAL 120 3HG2 VAL 120 14.357 3.906 -0.578 883 H GLN 121 H GLN 121 16.366 1.411 0.036 884 HA GLN 121 HA GLN 121 16.390 -0.783 -1.715 885 1HB GLN 121 1HB GLN 121 18.189 1.217 -0.958 886 2HB GLN 121 2HB GLN 121 18.983 -0.282 -0.497 887 1HG GLN 121 1HG GLN 121 18.869 -1.113 -2.730 888 2HG GLN 121 2HG GLN 121 17.849 0.234 -3.234 889 2HE2 GLN 121 2HE2 GLN 121 18.768 2.146 -3.783 890 1HE2 GLN 121 1HE2 GLN 121 20.473 2.416 -3.841 891 H ALA 122 H ALA 122 16.616 -0.514 1.690 892 HA ALA 122 HA ALA 122 17.684 -3.196 2.054 893 1HB ALA 122 1HB ALA 122 17.860 -0.888 3.550 894 2HB ALA 122 2HB ALA 122 16.691 -1.862 4.443 895 3HB ALA 122 3HB ALA 122 18.294 -2.510 4.092 896 H TRP 123 H TRP 123 14.666 -1.551 1.863 897 HA TRP 123 HA TRP 123 13.060 -3.259 3.431 898 1HB TRP 123 1HB TRP 123 12.566 -1.320 1.230 899 2HB TRP 123 2HB TRP 123 11.293 -2.483 1.581 900 HD1 TRP 123 HD1 TRP 123 11.610 0.856 2.212 901 HE1 TRP 123 HE1 TRP 123 10.813 1.607 4.542 902 HE3 TRP 123 HE3 TRP 123 11.666 -3.638 4.619 903 HZ2 TRP 123 HZ2 TRP 123 10.290 0.415 7.035 904 HZ3 TRP 123 HZ3 TRP 123 11.005 -3.755 6.965 905 HH2 TRP 123 HH2 TRP 123 10.324 -1.746 8.162 906 H ILE 124 H ILE 124 14.646 -3.770 0.461 907 HA ILE 124 HA ILE 124 13.125 -6.262 0.059 908 HB ILE 124 HB ILE 124 13.697 -6.071 -2.373 909 1HG1 ILE 124 1HG1 ILE 124 13.960 -3.201 -2.411 910 2HG1 ILE 124 2HG1 ILE 124 15.258 -3.909 -1.454 911 1HG2 ILE 124 1HG2 ILE 124 11.916 -4.029 -1.071 912 2HG2 ILE 124 2HG2 ILE 124 11.969 -4.276 -2.816 913 3HG2 ILE 124 3HG2 ILE 124 11.471 -5.594 -1.754 914 1HD1 ILE 124 1HD1 ILE 124 14.564 -4.802 -4.238 915 2HD1 ILE 124 2HD1 ILE 124 15.781 -3.581 -3.866 916 3HD1 ILE 124 3HD1 ILE 124 15.985 -5.235 -3.288 917 H ARG 125 H ARG 125 15.822 -5.292 1.317 918 HA ARG 125 HA ARG 125 17.895 -6.550 -0.130 919 1HB ARG 125 1HB ARG 125 17.791 -4.926 2.057 920 2HB ARG 125 2HB ARG 125 18.188 -6.469 2.799 921 1HG ARG 125 1HG ARG 125 19.912 -6.388 0.679 922 2HG ARG 125 2HG ARG 125 19.827 -4.695 1.168 923 1HD ARG 125 1HD ARG 125 21.626 -5.817 2.344 924 2HD ARG 125 2HD ARG 125 20.358 -5.350 3.475 925 HE ARG 125 HE ARG 125 19.628 -7.823 3.047 926 1HH1 ARG 125 1HH1 ARG 125 22.867 -6.588 3.395 927 2HH1 ARG 125 2HH1 ARG 125 23.496 -8.061 4.053 928 1HH2 ARG 125 1HH2 ARG 125 20.447 -9.766 3.913 929 2HH2 ARG 125 2HH2 ARG 125 22.121 -9.868 4.347 930 H GLY 126 H GLY 126 17.750 -8.645 -0.672 931 1HA GLY 126 1HA GLY 126 17.320 -10.572 1.519 932 2HA GLY 126 2HA GLY 126 18.287 -10.882 0.086 933 H CYS 127 H CYS 127 15.587 -9.227 -0.873 934 HA CYS 127 HA CYS 127 13.600 -11.196 -0.857 935 1HB CYS 127 1HB CYS 127 14.035 -8.657 -2.208 936 2HB CYS 127 2HB CYS 127 12.860 -9.723 -2.949 937 H ARG 128 H ARG 128 12.612 -11.670 -3.251 938 HA ARG 128 HA ARG 128 14.766 -12.810 -4.888 939 1HB ARG 128 1HB ARG 128 12.352 -14.252 -3.805 940 2HB ARG 128 2HB ARG 128 13.237 -14.834 -5.208 941 1HG ARG 128 1HG ARG 128 14.601 -15.904 -3.835 942 2HG ARG 128 2HG ARG 128 15.169 -14.341 -3.243 943 1HD ARG 128 1HD ARG 128 14.457 -15.169 -1.263 944 2HD ARG 128 2HD ARG 128 12.907 -14.547 -1.827 945 HE ARG 128 HE ARG 128 12.971 -17.080 -2.795 946 1HH1 ARG 128 1HH1 ARG 128 13.402 -15.693 0.373 947 2HH1 ARG 128 2HH1 ARG 128 12.786 -17.082 1.205 948 1HH2 ARG 128 1HH2 ARG 128 12.158 -18.913 -1.706 949 2HH2 ARG 128 2HH2 ARG 128 12.079 -18.911 0.024 950 H LEU 129 H LEU 129 14.382 -11.077 -6.335 951 HA LEU 129 HA LEU 129 12.065 -11.540 -8.067 952 1HB LEU 129 1HB LEU 129 11.932 -8.996 -8.330 953 2HB LEU 129 2HB LEU 129 11.247 -9.710 -6.883 954 HG LEU 129 HG LEU 129 13.926 -9.076 -6.262 955 1HD1 LEU 129 1HD1 LEU 129 13.398 -7.542 -8.378 956 2HD1 LEU 129 2HD1 LEU 129 12.669 -6.542 -7.122 957 3HD1 LEU 129 3HD1 LEU 129 14.372 -6.988 -7.015 958 1HD2 LEU 129 1HD2 LEU 129 11.243 -8.538 -5.343 959 2HD2 LEU 129 2HD2 LEU 129 12.740 -8.681 -4.424 960 3HD2 LEU 129 3HD2 LEU 129 12.288 -7.133 -5.135 No H/Q in entry = 960 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -7.526 -8.918 0.433 2 H2 LYS 1 H2 LYS 1 -8.260 -10.423 0.681 3 H3 LYS 1 H3 LYS 1 -7.520 -9.619 1.972 4 HA LYS 1 HA LYS 1 -5.992 -11.250 1.389 5 1HB LYS 1 1HB LYS 1 -7.315 -11.513 -0.857 6 2HB LYS 1 2HB LYS 1 -6.081 -10.437 -1.497 7 1HG LYS 1 1HG LYS 1 -4.355 -12.035 -0.695 8 2HG LYS 1 2HG LYS 1 -5.656 -13.136 -0.236 9 1HD LYS 1 1HD LYS 1 -6.334 -13.427 -2.478 10 2HD LYS 1 2HD LYS 1 -5.381 -12.045 -3.025 11 1HE LYS 1 1HE LYS 1 -4.259 -14.619 -1.922 12 2HE LYS 1 2HE LYS 1 -4.348 -14.195 -3.631 13 1HZ LYS 1 1HZ LYS 1 -3.091 -12.085 -2.336 14 2HZ LYS 1 2HZ LYS 1 -2.376 -13.499 -1.741 15 3HZ LYS 1 3HZ LYS 1 -2.400 -13.197 -3.406 16 H VAL 2 H VAL 2 -4.076 -10.555 2.055 17 HA VAL 2 HA VAL 2 -3.055 -7.998 1.011 18 HB VAL 2 HB VAL 2 -2.473 -9.389 3.630 19 1HG1 VAL 2 1HG1 VAL 2 -0.644 -7.928 2.290 20 2HG1 VAL 2 2HG1 VAL 2 -1.484 -6.650 3.167 21 3HG1 VAL 2 3HG1 VAL 2 -0.748 -7.986 4.049 22 1HG2 VAL 2 1HG2 VAL 2 -4.456 -7.507 2.840 23 2HG2 VAL 2 2HG2 VAL 2 -4.160 -8.196 4.438 24 3HG2 VAL 2 3HG2 VAL 2 -3.336 -6.715 3.948 25 H PHE 3 H PHE 3 -1.163 -7.954 -0.091 26 HA PHE 3 HA PHE 3 0.150 -10.409 -0.763 27 1HB PHE 3 1HB PHE 3 0.898 -7.523 -1.294 28 2HB PHE 3 2HB PHE 3 1.767 -8.904 -1.942 29 HD1 PHE 3 HD1 PHE 3 -0.807 -10.554 -2.485 30 HD2 PHE 3 HD2 PHE 3 0.372 -6.568 -3.382 31 HE1 PHE 3 HE1 PHE 3 -2.284 -10.561 -4.449 32 HE2 PHE 3 HE2 PHE 3 -1.096 -6.569 -5.344 33 HZ PHE 3 HZ PHE 3 -2.428 -8.564 -5.886 34 H GLY 4 H GLY 4 2.671 -10.343 -0.646 35 1HA GLY 4 1HA GLY 4 4.235 -10.937 1.033 36 2HA GLY 4 2HA GLY 4 3.353 -9.927 2.172 37 H ARG 5 H ARG 5 6.220 -9.925 1.570 38 HA ARG 5 HA ARG 5 6.460 -7.077 1.010 39 1HB ARG 5 1HB ARG 5 8.655 -8.972 1.848 40 2HB ARG 5 2HB ARG 5 8.664 -7.217 1.943 41 1HG ARG 5 1HG ARG 5 7.673 -7.223 3.932 42 2HG ARG 5 2HG ARG 5 6.448 -8.381 3.407 43 1HD ARG 5 1HD ARG 5 9.242 -9.010 4.351 44 2HD ARG 5 2HD ARG 5 7.742 -9.319 5.224 45 HE ARG 5 HE ARG 5 7.377 -10.690 2.938 46 1HH1 ARG 5 1HH1 ARG 5 10.002 -10.591 5.228 47 2HH1 ARG 5 2HH1 ARG 5 10.483 -12.230 4.943 48 1HH2 ARG 5 1HH2 ARG 5 8.004 -12.849 2.557 49 2HH2 ARG 5 2HH2 ARG 5 9.348 -13.513 3.424 50 H CYS 6 H CYS 6 8.132 -10.053 -0.042 51 HA CYS 6 HA CYS 6 9.136 -8.627 -2.349 52 1HB CYS 6 1HB CYS 6 9.445 -11.579 -1.949 53 2HB CYS 6 2HB CYS 6 10.503 -10.437 -2.772 54 H GLU 7 H GLU 7 6.718 -11.096 -1.635 55 HA GLU 7 HA GLU 7 6.133 -12.045 -4.149 56 1HB GLU 7 1HB GLU 7 4.930 -12.299 -1.745 57 2HB GLU 7 2HB GLU 7 3.783 -11.219 -2.529 58 1HG GLU 7 1HG GLU 7 3.538 -12.817 -4.363 59 2HG GLU 7 2HG GLU 7 4.675 -13.901 -3.563 60 H LEU 8 H LEU 8 4.863 -9.119 -2.622 61 HA LEU 8 HA LEU 8 3.511 -8.152 -4.901 62 1HB LEU 8 1HB LEU 8 3.012 -7.409 -2.611 63 2HB LEU 8 2HB LEU 8 4.589 -6.654 -2.509 64 HG LEU 8 HG LEU 8 2.441 -5.231 -3.013 65 1HD1 LEU 8 1HD1 LEU 8 5.115 -4.922 -4.349 66 2HD1 LEU 8 2HD1 LEU 8 3.871 -3.673 -4.373 67 3HD1 LEU 8 3HD1 LEU 8 4.559 -4.201 -2.838 68 1HD2 LEU 8 1HD2 LEU 8 2.033 -6.772 -5.075 69 2HD2 LEU 8 2HD2 LEU 8 1.746 -5.035 -5.200 70 3HD2 LEU 8 3HD2 LEU 8 3.230 -5.733 -5.849 71 H ALA 9 H ALA 9 6.795 -7.622 -3.612 72 HA ALA 9 HA ALA 9 7.536 -5.566 -5.377 73 1HB ALA 9 1HB ALA 9 9.305 -7.657 -4.131 74 2HB ALA 9 2HB ALA 9 8.839 -6.119 -3.402 75 3HB ALA 9 3HB ALA 9 9.840 -6.140 -4.855 76 H ALA 10 H ALA 10 8.103 -9.084 -5.675 77 HA ALA 10 HA ALA 10 9.396 -9.112 -8.103 78 1HB ALA 10 1HB ALA 10 8.214 -11.378 -8.402 79 2HB ALA 10 2HB ALA 10 9.257 -11.169 -6.995 80 3HB ALA 10 3HB ALA 10 7.507 -11.061 -6.818 81 H ALA 11 H ALA 11 5.955 -8.871 -7.369 82 HA ALA 11 HA ALA 11 5.038 -9.033 -10.020 83 1HB ALA 11 1HB ALA 11 3.696 -7.526 -7.801 84 2HB ALA 11 2HB ALA 11 3.619 -9.280 -7.969 85 3HB ALA 11 3HB ALA 11 2.938 -8.243 -9.222 86 H MET 12 H MET 12 6.133 -6.457 -8.050 87 HA MET 12 HA MET 12 5.436 -4.276 -9.699 88 1HB MET 12 1HB MET 12 7.925 -4.333 -8.019 89 2HB MET 12 2HB MET 12 6.915 -2.960 -8.402 90 1HG MET 12 1HG MET 12 5.968 -5.250 -6.727 91 2HG MET 12 2HG MET 12 6.749 -3.822 -6.058 92 1HE MET 12 1HE MET 12 6.010 -1.447 -6.822 93 2HE MET 12 2HE MET 12 5.285 -1.674 -8.412 94 3HE MET 12 3HE MET 12 4.333 -0.980 -7.099 95 H LYS 13 H LYS 13 8.460 -6.117 -9.431 96 HA LYS 13 HA LYS 13 9.986 -4.798 -11.314 97 1HB LYS 13 1HB LYS 13 10.413 -6.947 -9.766 98 2HB LYS 13 2HB LYS 13 10.147 -7.767 -11.298 99 1HG LYS 13 1HG LYS 13 11.887 -5.783 -12.006 100 2HG LYS 13 2HG LYS 13 12.428 -6.201 -10.378 101 1HD LYS 13 1HD LYS 13 12.875 -8.415 -10.967 102 2HD LYS 13 2HD LYS 13 11.868 -8.331 -12.414 103 1HE LYS 13 1HE LYS 13 14.112 -6.438 -12.354 104 2HE LYS 13 2HE LYS 13 14.579 -8.137 -12.399 105 1HZ LYS 13 1HZ LYS 13 12.504 -7.239 -14.256 106 2HZ LYS 13 2HZ LYS 13 14.100 -6.784 -14.583 107 3HZ LYS 13 3HZ LYS 13 13.695 -8.423 -14.459 108 H ARG 14 H ARG 14 7.799 -7.549 -11.818 109 HA ARG 14 HA ARG 14 8.122 -7.707 -14.602 110 1HB ARG 14 1HB ARG 14 5.945 -8.585 -12.719 111 2HB ARG 14 2HB ARG 14 5.777 -8.794 -14.458 112 1HG ARG 14 1HG ARG 14 8.240 -9.854 -14.036 113 2HG ARG 14 2HG ARG 14 7.418 -10.265 -12.530 114 1HD ARG 14 1HD ARG 14 5.649 -10.758 -14.712 115 2HD ARG 14 2HD ARG 14 7.199 -11.527 -15.052 116 HE ARG 14 HE ARG 14 5.317 -12.234 -12.975 117 1HH1 ARG 14 1HH1 ARG 14 8.590 -12.494 -14.144 118 2HH1 ARG 14 2HH1 ARG 14 8.931 -13.937 -13.248 119 1HH2 ARG 14 1HH2 ARG 14 5.758 -14.133 -11.793 120 2HH2 ARG 14 2HH2 ARG 14 7.322 -14.868 -11.912 121 H HIS 15 H HIS 15 5.962 -5.801 -12.553 122 HA HIS 15 HA HIS 15 4.417 -4.802 -14.724 123 1HB HIS 15 1HB HIS 15 4.582 -4.333 -11.795 124 2HB HIS 15 2HB HIS 15 3.851 -3.066 -12.775 125 HD1 HIS 15 HD1 HIS 15 2.379 -4.995 -10.677 126 HD2 HIS 15 HD2 HIS 15 2.294 -5.287 -14.821 127 HE1 HIS 15 HE1 HIS 15 0.272 -6.255 -11.219 128 HE2 HIS 15 HE2 HIS 15 0.287 -6.497 -13.727 129 H GLY 16 H GLY 16 7.589 -4.120 -13.881 130 1HA GLY 16 1HA GLY 16 7.606 -1.866 -15.592 131 2HA GLY 16 2HA GLY 16 8.975 -2.561 -14.755 132 H LEU 17 H LEU 17 7.538 -2.087 -12.040 133 HA LEU 17 HA LEU 17 7.578 0.822 -12.069 134 1HB LEU 17 1HB LEU 17 7.167 -0.798 -9.592 135 2HB LEU 17 2HB LEU 17 6.580 0.808 -9.962 136 HG LEU 17 HG LEU 17 5.415 -1.830 -10.585 137 1HD1 LEU 17 1HD1 LEU 17 4.720 0.426 -9.134 138 2HD1 LEU 17 2HD1 LEU 17 3.680 0.492 -10.557 139 3HD1 LEU 17 3HD1 LEU 17 3.671 -0.937 -9.524 140 1HD2 LEU 17 1HD2 LEU 17 5.313 0.483 -12.515 141 2HD2 LEU 17 2HD2 LEU 17 5.725 -1.200 -12.847 142 3HD2 LEU 17 3HD2 LEU 17 4.064 -0.761 -12.452 143 H ASP 18 H ASP 18 9.791 -1.503 -11.839 144 HA ASP 18 HA ASP 18 11.384 -0.500 -9.680 145 1HB ASP 18 1HB ASP 18 11.901 -2.707 -10.047 146 2HB ASP 18 2HB ASP 18 11.746 -2.573 -11.788 147 H ASN 19 H ASN 19 11.826 1.591 -9.916 148 HA ASN 19 HA ASN 19 12.888 3.481 -10.564 149 1HB ASN 19 1HB ASN 19 14.721 1.492 -10.981 150 2HB ASN 19 2HB ASN 19 14.630 2.222 -12.582 151 2HD2 ASN 19 2HD2 ASN 19 15.908 2.453 -9.472 152 1HD2 ASN 19 1HD2 ASN 19 16.623 4.019 -9.612 153 H TYR 20 H TYR 20 10.554 2.646 -11.900 154 HA TYR 20 HA TYR 20 10.755 3.140 -14.699 155 1HB TYR 20 1HB TYR 20 8.801 2.013 -13.594 156 2HB TYR 20 2HB TYR 20 8.357 3.563 -12.891 157 HD1 TYR 20 HD1 TYR 20 9.017 1.985 -16.211 158 HD2 TYR 20 HD2 TYR 20 6.845 4.909 -14.013 159 HE1 TYR 20 HE1 TYR 20 7.706 2.515 -18.223 160 HE2 TYR 20 HE2 TYR 20 5.526 5.446 -16.017 161 HH TYR 20 HH TYR 20 5.327 3.528 -18.656 162 H ARG 21 H ARG 21 9.633 5.171 -15.662 163 HA ARG 21 HA ARG 21 10.949 7.400 -15.489 164 1HB ARG 21 1HB ARG 21 8.631 6.948 -16.620 165 2HB ARG 21 2HB ARG 21 7.990 7.780 -15.209 166 1HG ARG 21 1HG ARG 21 9.316 9.746 -15.742 167 2HG ARG 21 2HG ARG 21 10.013 8.912 -17.133 168 1HD ARG 21 1HD ARG 21 7.190 8.712 -17.318 169 2HD ARG 21 2HD ARG 21 7.589 10.394 -16.971 170 HE ARG 21 HE ARG 21 9.287 9.884 -18.944 171 1HH1 ARG 21 1HH1 ARG 21 5.909 9.091 -18.633 172 2HH1 ARG 21 2HH1 ARG 21 5.605 9.154 -20.336 173 1HH2 ARG 21 1HH2 ARG 21 8.896 9.969 -21.189 174 2HH2 ARG 21 2HH2 ARG 21 7.303 9.652 -21.789 175 H GLY 22 H GLY 22 8.656 6.400 -13.039 176 1HA GLY 22 1HA GLY 22 8.131 7.282 -10.969 177 2HA GLY 22 2HA GLY 22 9.033 8.730 -11.394 178 H TYR 23 H TYR 23 9.065 5.771 -9.675 179 HA TYR 23 HA TYR 23 11.915 6.159 -9.072 180 1HB TYR 23 1HB TYR 23 9.622 5.955 -7.158 181 2HB TYR 23 2HB TYR 23 11.249 5.508 -6.658 182 HD1 TYR 23 HD1 TYR 23 9.426 8.315 -8.315 183 HD2 TYR 23 HD2 TYR 23 12.611 7.148 -5.748 184 HE1 TYR 23 HE1 TYR 23 9.925 10.680 -7.874 185 HE2 TYR 23 HE2 TYR 23 13.118 9.511 -5.296 186 HH TYR 23 HH TYR 23 12.404 11.906 -7.001 187 H SER 24 H SER 24 12.659 4.377 -7.458 188 HA SER 24 HA SER 24 12.515 1.931 -8.945 189 1HB SER 24 1HB SER 24 14.349 1.196 -7.589 190 2HB SER 24 2HB SER 24 14.640 2.881 -8.017 191 HG SER 24 HG SER 24 15.029 2.651 -5.839 192 H LEU 25 H LEU 25 12.399 -0.145 -7.840 193 HA LEU 25 HA LEU 25 9.985 -0.796 -6.863 194 1HB LEU 25 1HB LEU 25 12.636 -1.997 -6.859 195 2HB LEU 25 2HB LEU 25 11.637 -2.567 -5.535 196 HG LEU 25 HG LEU 25 10.483 -2.535 -8.276 197 1HD1 LEU 25 1HD1 LEU 25 12.919 -3.812 -7.732 198 2HD1 LEU 25 2HD1 LEU 25 11.689 -5.075 -7.711 199 3HD1 LEU 25 3HD1 LEU 25 11.868 -4.042 -9.129 200 1HD2 LEU 25 1HD2 LEU 25 10.152 -4.114 -5.749 201 2HD2 LEU 25 2HD2 LEU 25 8.951 -3.185 -6.645 202 3HD2 LEU 25 3HD2 LEU 25 9.541 -4.717 -7.290 203 H GLY 26 H GLY 26 12.819 -0.281 -4.733 204 1HA GLY 26 1HA GLY 26 12.924 0.602 -2.607 205 2HA GLY 26 2HA GLY 26 11.749 -0.659 -2.285 206 H ASN 27 H ASN 27 11.265 2.252 -4.238 207 HA ASN 27 HA ASN 27 9.934 3.718 -2.202 208 1HB ASN 27 1HB ASN 27 9.572 4.120 -5.168 209 2HB ASN 27 2HB ASN 27 9.434 5.320 -3.887 210 2HD2 ASN 27 2HD2 ASN 27 11.322 6.087 -2.886 211 1HD2 ASN 27 1HD2 ASN 27 12.864 5.952 -3.654 212 H TRP 28 H TRP 28 8.862 1.515 -4.702 213 HA TRP 28 HA TRP 28 6.072 2.019 -4.406 214 1HB TRP 28 1HB TRP 28 7.541 -0.329 -5.598 215 2HB TRP 28 2HB TRP 28 5.805 -0.044 -5.734 216 HD1 TRP 28 HD1 TRP 28 9.106 0.989 -7.190 217 HE1 TRP 28 HE1 TRP 28 8.721 2.651 -9.105 218 HE3 TRP 28 HE3 TRP 28 4.122 1.831 -6.516 219 HZ2 TRP 28 HZ2 TRP 28 6.573 4.118 -10.214 220 HZ3 TRP 28 HZ3 TRP 28 2.955 3.366 -8.041 221 HH2 TRP 28 HH2 TRP 28 4.160 4.492 -9.858 222 H VAL 29 H VAL 29 8.281 -0.463 -3.106 223 HA VAL 29 HA VAL 29 6.280 -1.972 -1.840 224 HB VAL 29 HB VAL 29 9.224 -1.738 -1.214 225 1HG1 VAL 29 1HG1 VAL 29 7.118 -3.639 -0.238 226 2HG1 VAL 29 2HG1 VAL 29 8.826 -4.078 -0.265 227 3HG1 VAL 29 3HG1 VAL 29 8.284 -2.703 0.697 228 1HG2 VAL 29 1HG2 VAL 29 7.648 -3.448 -3.100 229 2HG2 VAL 29 2HG2 VAL 29 9.118 -2.521 -3.397 230 3HG2 VAL 29 3HG2 VAL 29 9.189 -4.005 -2.448 231 H CYS 30 H CYS 30 8.539 0.459 -0.557 232 HA CYS 30 HA CYS 30 7.612 0.355 2.077 233 1HB CYS 30 1HB CYS 30 9.734 1.422 1.380 234 2HB CYS 30 2HB CYS 30 8.812 2.734 0.651 235 H ALA 31 H ALA 31 6.616 2.466 -0.629 236 HA ALA 31 HA ALA 31 4.811 4.032 0.847 237 1HB ALA 31 1HB ALA 31 4.870 3.348 -2.087 238 2HB ALA 31 2HB ALA 31 3.825 4.572 -1.369 239 3HB ALA 31 3HB ALA 31 5.576 4.763 -1.306 240 H ALA 32 H ALA 32 4.306 1.093 -1.083 241 HA ALA 32 HA ALA 32 1.506 0.974 -0.654 242 1HB ALA 32 1HB ALA 32 2.933 -0.171 -2.469 243 2HB ALA 32 2HB ALA 32 3.175 -1.436 -1.264 244 3HB ALA 32 3HB ALA 32 1.546 -1.039 -1.811 245 H LYS 33 H LYS 33 4.233 -0.736 0.885 246 HA LYS 33 HA LYS 33 2.922 -2.460 2.529 247 1HB LYS 33 1HB LYS 33 5.356 -2.361 2.328 248 2HB LYS 33 2HB LYS 33 5.375 -0.828 3.189 249 1HG LYS 33 1HG LYS 33 4.835 -1.820 5.222 250 2HG LYS 33 2HG LYS 33 4.226 -3.286 4.451 251 1HD LYS 33 1HD LYS 33 6.233 -4.239 4.568 252 2HD LYS 33 2HD LYS 33 6.973 -2.872 3.732 253 1HE LYS 33 1HE LYS 33 6.316 -2.833 6.669 254 2HE LYS 33 2HE LYS 33 7.866 -3.397 6.044 255 1HZ LYS 33 1HZ LYS 33 6.820 -0.740 5.302 256 2HZ LYS 33 2HZ LYS 33 7.648 -0.961 6.759 257 3HZ LYS 33 3HZ LYS 33 8.419 -1.292 5.291 258 H PHE 34 H PHE 34 3.901 0.842 3.462 259 HA PHE 34 HA PHE 34 2.393 0.696 5.863 260 1HB PHE 34 1HB PHE 34 4.091 2.671 4.581 261 2HB PHE 34 2HB PHE 34 2.904 3.310 5.701 262 HD1 PHE 34 HD1 PHE 34 2.932 2.503 8.067 263 HD2 PHE 34 HD2 PHE 34 6.047 1.597 5.314 264 HE1 PHE 34 HE1 PHE 34 4.416 1.928 9.943 265 HE2 PHE 34 HE2 PHE 34 7.538 1.020 7.185 266 HZ PHE 34 HZ PHE 34 6.722 1.186 9.503 267 H GLU 35 H GLU 35 1.634 1.617 2.654 268 HA GLU 35 HA GLU 35 -0.428 3.449 3.151 269 1HB GLU 35 1HB GLU 35 0.706 2.026 0.929 270 2HB GLU 35 2HB GLU 35 -1.047 1.965 0.831 271 1HG GLU 35 1HG GLU 35 -1.240 4.279 0.675 272 2HG GLU 35 2HG GLU 35 0.383 4.550 1.309 273 H SER 36 H SER 36 -0.618 -0.007 2.351 274 HA SER 36 HA SER 36 -3.224 -0.116 3.735 275 1HB SER 36 1HB SER 36 -3.818 -1.841 1.912 276 2HB SER 36 2HB SER 36 -3.788 -0.145 1.435 277 HG SER 36 HG SER 36 -1.653 -0.513 0.651 278 H ASN 37 H ASN 37 -0.234 -1.104 4.129 279 HA ASN 37 HA ASN 37 0.783 -2.880 5.156 280 1HB ASN 37 1HB ASN 37 -1.858 -2.765 6.250 281 2HB ASN 37 2HB ASN 37 -1.433 -4.459 6.021 282 2HD2 ASN 37 2HD2 ASN 37 1.049 -4.769 6.633 283 1HD2 ASN 37 1HD2 ASN 37 1.435 -4.202 8.218 284 H PHE 38 H PHE 38 -0.106 -2.918 2.411 285 HA PHE 38 HA PHE 38 0.065 -4.185 0.602 286 1HB PHE 38 1HB PHE 38 0.860 -6.250 2.638 287 2HB PHE 38 2HB PHE 38 0.707 -6.647 0.928 288 HD1 PHE 38 HD1 PHE 38 1.759 -4.403 -0.470 289 HD2 PHE 38 HD2 PHE 38 3.099 -6.118 3.186 290 HE1 PHE 38 HE1 PHE 38 4.006 -3.502 -0.883 291 HE2 PHE 38 HE2 PHE 38 5.354 -5.222 2.777 292 HZ PHE 38 HZ PHE 38 5.813 -3.917 0.741 293 H ASN 39 H ASN 39 -2.418 -3.872 2.251 294 HA ASN 39 HA ASN 39 -3.942 -6.242 1.574 295 1HB ASN 39 1HB ASN 39 -4.370 -4.942 3.673 296 2HB ASN 39 2HB ASN 39 -4.936 -3.607 2.676 297 2HD2 ASN 39 2HD2 ASN 39 -6.807 -4.122 4.194 298 1HD2 ASN 39 1HD2 ASN 39 -8.001 -5.208 3.579 299 H THR 40 H THR 40 -4.451 -6.514 -0.474 300 HA THR 40 HA THR 40 -4.579 -4.395 -2.367 301 HB THR 40 HB THR 40 -4.758 -6.027 -3.969 302 HG1 THR 40 HG1 THR 40 -6.081 -7.837 -2.232 303 1HG2 THR 40 1HG2 THR 40 -3.764 -7.459 -1.519 304 2HG2 THR 40 2HG2 THR 40 -3.710 -8.172 -3.132 305 3HG2 THR 40 3HG2 THR 40 -2.817 -6.691 -2.793 306 H GLN 41 H GLN 41 -6.709 -5.674 -0.130 307 HA GLN 41 HA GLN 41 -9.072 -4.668 -1.546 308 1HB GLN 41 1HB GLN 41 -8.555 -6.863 0.370 309 2HB GLN 41 2HB GLN 41 -10.080 -6.027 0.538 310 1HG GLN 41 1HG GLN 41 -10.710 -6.578 -1.704 311 2HG GLN 41 2HG GLN 41 -9.106 -7.232 -2.033 312 2HE2 GLN 41 2HE2 GLN 41 -8.768 -9.325 -1.699 313 1HE2 GLN 41 1HE2 GLN 41 -9.849 -10.397 -0.882 314 H ALA 42 H ALA 42 -6.880 -3.545 0.554 315 HA ALA 42 HA ALA 42 -8.414 -2.577 2.716 316 1HB ALA 42 1HB ALA 42 -5.695 -2.300 1.749 317 2HB ALA 42 2HB ALA 42 -6.317 -2.315 3.400 318 3HB ALA 42 3HB ALA 42 -6.314 -0.815 2.472 319 H THR 43 H THR 43 -9.587 -0.824 3.005 320 HA THR 43 HA THR 43 -9.709 1.192 0.856 321 HB THR 43 HB THR 43 -12.008 1.312 0.963 322 HG1 THR 43 HG1 THR 43 -12.063 0.008 3.491 323 1HG2 THR 43 1HG2 THR 43 -11.290 -1.524 1.674 324 2HG2 THR 43 2HG2 THR 43 -12.936 -1.038 1.267 325 3HG2 THR 43 3HG2 THR 43 -11.642 -0.851 0.083 326 H ASN 44 H ASN 44 -9.492 3.312 1.515 327 HA ASN 44 HA ASN 44 -9.540 3.816 4.416 328 1HB ASN 44 1HB ASN 44 -7.325 4.052 2.607 329 2HB ASN 44 2HB ASN 44 -7.742 5.648 3.228 330 2HD2 ASN 44 2HD2 ASN 44 -6.493 6.146 4.864 331 1HD2 ASN 44 1HD2 ASN 44 -6.003 5.086 6.138 332 H ARG 45 H ARG 45 -11.422 4.896 4.611 333 HA ARG 45 HA ARG 45 -12.260 6.860 2.676 334 1HB ARG 45 1HB ARG 45 -13.454 5.413 4.874 335 2HB ARG 45 2HB ARG 45 -13.835 7.126 4.983 336 1HG ARG 45 1HG ARG 45 -15.090 7.115 3.087 337 2HG ARG 45 2HG ARG 45 -14.156 5.815 2.344 338 1HD ARG 45 1HD ARG 45 -15.384 4.178 3.335 339 2HD ARG 45 2HD ARG 45 -15.698 5.140 4.780 340 HE ARG 45 HE ARG 45 -17.240 5.137 2.309 341 1HH1 ARG 45 1HH1 ARG 45 -16.667 6.545 5.445 342 2HH1 ARG 45 2HH1 ARG 45 -18.222 7.301 5.532 343 1HH2 ARG 45 1HH2 ARG 45 -19.290 6.128 2.415 344 2HH2 ARG 45 2HH2 ARG 45 -19.713 7.064 3.810 345 H ASN 46 H ASN 46 -11.914 8.983 2.723 346 HA ASN 46 HA ASN 46 -10.626 10.121 5.113 347 1HB ASN 46 1HB ASN 46 -10.581 11.444 2.421 348 2HB ASN 46 2HB ASN 46 -9.432 11.587 3.746 349 2HD2 ASN 46 2HD2 ASN 46 -8.668 9.154 4.346 350 1HD2 ASN 46 1HD2 ASN 46 -7.974 8.336 2.991 351 H THR 47 H THR 47 -10.987 12.623 5.159 352 HA THR 47 HA THR 47 -13.829 12.998 5.490 353 HB THR 47 HB THR 47 -13.182 15.251 6.362 354 HG1 THR 47 HG1 THR 47 -11.130 15.895 6.285 355 1HG2 THR 47 1HG2 THR 47 -12.259 12.668 7.460 356 2HG2 THR 47 2HG2 THR 47 -11.585 14.115 8.208 357 3HG2 THR 47 3HG2 THR 47 -13.332 13.880 8.161 358 H ASP 48 H ASP 48 -11.514 13.649 3.068 359 HA ASP 48 HA ASP 48 -12.735 15.953 1.918 360 1HB ASP 48 1HB ASP 48 -11.341 15.302 -0.099 361 2HB ASP 48 2HB ASP 48 -10.452 15.597 1.392 362 H GLY 49 H GLY 49 -13.648 12.721 2.034 363 1HA GLY 49 1HA GLY 49 -15.561 13.172 -0.162 364 2HA GLY 49 2HA GLY 49 -15.827 12.105 1.208 365 H SER 50 H SER 50 -12.784 12.144 -0.489 366 HA SER 50 HA SER 50 -13.474 9.917 -2.188 367 1HB SER 50 1HB SER 50 -10.815 10.032 -2.465 368 2HB SER 50 2HB SER 50 -11.897 11.147 -3.298 369 HG SER 50 HG SER 50 -11.140 12.727 -2.133 370 H THR 51 H THR 51 -11.807 8.052 -2.227 371 HA THR 51 HA THR 51 -11.085 7.196 0.483 372 HB THR 51 HB THR 51 -12.468 5.240 -1.318 373 HG1 THR 51 HG1 THR 51 -13.676 7.176 0.375 374 1HG2 THR 51 1HG2 THR 51 -11.184 4.882 1.011 375 2HG2 THR 51 2HG2 THR 51 -12.795 5.260 1.622 376 3HG2 THR 51 3HG2 THR 51 -12.567 3.906 0.516 377 H ASP 52 H ASP 52 -9.787 5.137 0.434 378 HA ASP 52 HA ASP 52 -8.074 5.055 -1.966 379 1HB ASP 52 1HB ASP 52 -7.354 4.618 0.940 380 2HB ASP 52 2HB ASP 52 -6.262 4.312 -0.407 381 H TYR 53 H TYR 53 -9.291 3.441 -2.953 382 HA TYR 53 HA TYR 53 -9.552 0.906 -1.531 383 1HB TYR 53 1HB TYR 53 -10.586 1.699 -4.259 384 2HB TYR 53 2HB TYR 53 -10.946 0.202 -3.410 385 HD1 TYR 53 HD1 TYR 53 -12.010 0.547 -1.004 386 HD2 TYR 53 HD2 TYR 53 -12.120 3.412 -4.144 387 HE1 TYR 53 HE1 TYR 53 -13.984 1.590 0.026 388 HE2 TYR 53 HE2 TYR 53 -14.097 4.462 -3.127 389 HH TYR 53 HH TYR 53 -15.340 3.395 -0.001 390 H GLY 54 H GLY 54 -7.157 0.517 -1.606 391 1HA GLY 54 1HA GLY 54 -5.914 0.158 -4.141 392 2HA GLY 54 2HA GLY 54 -6.493 -1.376 -3.516 393 H ILE 55 H ILE 55 -4.195 -1.938 -3.618 394 HA ILE 55 HA ILE 55 -2.971 -1.748 -1.048 395 HB ILE 55 HB ILE 55 -2.615 -3.677 -2.641 396 1HG1 ILE 55 1HG1 ILE 55 -0.009 -2.342 -1.897 397 2HG1 ILE 55 2HG1 ILE 55 -1.080 -3.067 -0.701 398 1HG2 ILE 55 1HG2 ILE 55 -0.898 -1.666 -4.094 399 2HG2 ILE 55 2HG2 ILE 55 -0.932 -3.400 -4.416 400 3HG2 ILE 55 3HG2 ILE 55 -2.371 -2.424 -4.700 401 1HD1 ILE 55 1HD1 ILE 55 -0.397 -4.796 -2.969 402 2HD1 ILE 55 2HD1 ILE 55 0.948 -4.357 -1.917 403 3HD1 ILE 55 3HD1 ILE 55 -0.474 -5.154 -1.244 404 H LEU 56 H LEU 56 -2.959 0.056 -3.950 405 HA LEU 56 HA LEU 56 -0.767 1.764 -2.996 406 1HB LEU 56 1HB LEU 56 -1.347 0.693 -5.588 407 2HB LEU 56 2HB LEU 56 -1.517 2.435 -5.662 408 HG LEU 56 HG LEU 56 0.711 2.088 -6.277 409 1HD1 LEU 56 1HD1 LEU 56 0.208 3.475 -4.006 410 2HD1 LEU 56 2HD1 LEU 56 1.429 2.335 -3.439 411 3HD1 LEU 56 3HD1 LEU 56 1.780 3.397 -4.803 412 1HD2 LEU 56 1HD2 LEU 56 0.528 -0.367 -5.398 413 2HD2 LEU 56 2HD2 LEU 56 2.103 0.411 -5.545 414 3HD2 LEU 56 3HD2 LEU 56 1.322 0.295 -3.969 415 H GLN 57 H GLN 57 -3.912 1.513 -2.663 416 HA GLN 57 HA GLN 57 -5.560 2.922 -2.064 417 1HB GLN 57 1HB GLN 57 -3.703 5.240 -2.566 418 2HB GLN 57 2HB GLN 57 -5.092 5.177 -1.490 419 1HG GLN 57 1HG GLN 57 -2.664 3.466 -1.076 420 2HG GLN 57 2HG GLN 57 -2.794 5.099 -0.427 421 2HE2 GLN 57 2HE2 GLN 57 -4.224 1.894 -0.387 422 1HE2 GLN 57 1HE2 GLN 57 -4.964 2.037 1.167 423 H ILE 58 H ILE 58 -6.485 2.150 -4.204 424 HA ILE 58 HA ILE 58 -6.300 4.065 -6.360 425 HB ILE 58 HB ILE 58 -8.184 1.722 -6.237 426 1HG1 ILE 58 1HG1 ILE 58 -6.058 0.760 -5.731 427 2HG1 ILE 58 2HG1 ILE 58 -6.346 0.466 -7.442 428 1HG2 ILE 58 1HG2 ILE 58 -7.117 3.523 -8.348 429 2HG2 ILE 58 2HG2 ILE 58 -7.474 1.849 -8.775 430 3HG2 ILE 58 3HG2 ILE 58 -8.745 2.883 -8.122 431 1HD1 ILE 58 1HD1 ILE 58 -4.881 2.348 -7.998 432 2HD1 ILE 58 2HD1 ILE 58 -4.577 2.607 -6.281 433 3HD1 ILE 58 3HD1 ILE 58 -4.049 1.113 -7.053 434 H ASN 59 H ASN 59 -7.249 5.944 -5.725 435 HA ASN 59 HA ASN 59 -9.662 6.137 -4.297 436 1HB ASN 59 1HB ASN 59 -7.993 7.967 -4.518 437 2HB ASN 59 2HB ASN 59 -8.446 8.148 -6.210 438 2HD2 ASN 59 2HD2 ASN 59 -8.662 10.356 -4.918 439 1HD2 ASN 59 1HD2 ASN 59 -10.287 10.734 -4.466 440 H SER 60 H SER 60 -11.346 4.971 -5.131 441 HA SER 60 HA SER 60 -11.939 4.744 -7.870 442 1HB SER 60 1HB SER 60 -13.787 3.512 -7.214 443 2HB SER 60 2HB SER 60 -12.753 3.356 -5.794 444 HG SER 60 HG SER 60 -13.935 5.156 -4.904 445 H ARG 61 H ARG 61 -12.337 7.384 -5.779 446 HA ARG 61 HA ARG 61 -14.505 8.493 -7.425 447 1HB ARG 61 1HB ARG 61 -14.521 8.415 -4.803 448 2HB ARG 61 2HB ARG 61 -13.468 9.816 -4.945 449 1HG ARG 61 1HG ARG 61 -15.413 10.596 -6.595 450 2HG ARG 61 2HG ARG 61 -16.349 9.536 -5.539 451 1HD ARG 61 1HD ARG 61 -15.805 10.798 -3.623 452 2HD ARG 61 2HD ARG 61 -14.515 11.660 -4.462 453 HE ARG 61 HE ARG 61 -17.300 12.027 -5.311 454 1HH1 ARG 61 1HH1 ARG 61 -14.359 13.305 -3.948 455 2HH1 ARG 61 2HH1 ARG 61 -14.864 14.957 -4.080 456 1HH2 ARG 61 1HH2 ARG 61 -17.973 14.198 -5.489 457 2HH2 ARG 61 2HH2 ARG 61 -16.918 15.464 -4.956 458 H TRP 62 H TRP 62 -11.658 8.252 -8.174 459 HA TRP 62 HA TRP 62 -11.347 10.916 -9.205 460 1HB TRP 62 1HB TRP 62 -10.308 10.730 -6.775 461 2HB TRP 62 2HB TRP 62 -8.952 10.047 -7.667 462 HD1 TRP 62 HD1 TRP 62 -7.488 11.690 -9.118 463 HE1 TRP 62 HE1 TRP 62 -7.390 14.255 -9.313 464 HE3 TRP 62 HE3 TRP 62 -11.842 12.855 -6.704 465 HZ2 TRP 62 HZ2 TRP 62 -8.953 16.476 -8.545 466 HZ3 TRP 62 HZ3 TRP 62 -12.468 15.223 -6.477 467 HH2 TRP 62 HH2 TRP 62 -11.051 16.996 -7.379 468 H TRP 63 H TRP 63 -10.606 7.576 -9.320 469 HA TRP 63 HA TRP 63 -9.015 8.082 -11.734 470 1HB TRP 63 1HB TRP 63 -8.330 6.083 -9.573 471 2HB TRP 63 2HB TRP 63 -7.547 6.160 -11.145 472 HD1 TRP 63 HD1 TRP 63 -6.777 7.070 -7.798 473 HE1 TRP 63 HE1 TRP 63 -5.146 9.059 -7.670 474 HE3 TRP 63 HE3 TRP 63 -7.289 8.831 -12.554 475 HZ2 TRP 63 HZ2 TRP 63 -4.203 11.112 -9.374 476 HZ3 TRP 63 HZ3 TRP 63 -6.019 10.809 -13.231 477 HH2 TRP 63 HH2 TRP 63 -4.496 11.932 -11.675 478 H CYS 64 H CYS 64 -11.537 6.278 -10.235 479 HA CYS 64 HA CYS 64 -11.793 4.770 -12.729 480 1HB CYS 64 1HB CYS 64 -11.784 2.673 -11.789 481 2HB CYS 64 2HB CYS 64 -10.649 3.476 -10.713 482 H ASN 65 H ASN 65 -13.856 3.935 -13.188 483 HA ASN 65 HA ASN 65 -15.992 5.466 -11.900 484 1HB ASN 65 1HB ASN 65 -15.607 5.254 -14.466 485 2HB ASN 65 2HB ASN 65 -16.358 3.672 -14.286 486 2HD2 ASN 65 2HD2 ASN 65 -18.524 3.522 -13.890 487 1HD2 ASN 65 1HD2 ASN 65 -19.595 4.877 -13.951 488 H ASP 66 H ASP 66 -16.692 4.474 -10.103 489 HA ASP 66 HA ASP 66 -17.086 1.569 -10.147 490 1HB ASP 66 1HB ASP 66 -17.106 1.636 -7.757 491 2HB ASP 66 2HB ASP 66 -15.752 2.622 -8.299 492 H GLY 67 H GLY 67 -18.830 4.484 -10.363 493 1HA GLY 67 1HA GLY 67 -21.306 3.097 -10.629 494 2HA GLY 67 2HA GLY 67 -21.081 4.837 -10.676 495 H ARG 68 H ARG 68 -19.847 3.301 -7.871 496 HA ARG 68 HA ARG 68 -22.313 3.559 -6.371 497 1HB ARG 68 1HB ARG 68 -19.559 2.540 -5.754 498 2HB ARG 68 2HB ARG 68 -20.683 2.893 -4.449 499 1HG ARG 68 1HG ARG 68 -21.734 0.970 -4.754 500 2HG ARG 68 2HG ARG 68 -21.979 1.316 -6.466 501 1HD ARG 68 1HD ARG 68 -20.732 -0.709 -6.317 502 2HD ARG 68 2HD ARG 68 -19.631 0.553 -6.869 503 HE ARG 68 HE ARG 68 -19.158 0.617 -4.268 504 1HH1 ARG 68 1HH1 ARG 68 -19.531 -2.123 -6.389 505 2HH1 ARG 68 2HH1 ARG 68 -18.478 -3.143 -5.466 506 1HH2 ARG 68 1HH2 ARG 68 -17.771 -0.718 -3.048 507 2HH2 ARG 68 2HH2 ARG 68 -17.478 -2.345 -3.567 508 H THR 69 H THR 69 -19.864 5.614 -7.299 509 HA THR 69 HA THR 69 -20.509 7.461 -5.103 510 HB THR 69 HB THR 69 -17.788 7.594 -6.319 511 HG1 THR 69 HG1 THR 69 -17.404 6.163 -4.231 512 1HG2 THR 69 1HG2 THR 69 -18.898 9.198 -4.586 513 2HG2 THR 69 2HG2 THR 69 -18.488 7.930 -3.430 514 3HG2 THR 69 3HG2 THR 69 -17.217 8.709 -4.371 515 HA PRO 70 HA PRO 70 -21.587 9.820 -8.796 516 1HB PRO 70 1HB PRO 70 -22.739 11.888 -7.459 517 2HB PRO 70 2HB PRO 70 -23.567 10.357 -7.764 518 1HG PRO 70 1HG PRO 70 -22.170 11.297 -5.287 519 2HG PRO 70 2HG PRO 70 -23.721 10.450 -5.445 520 1HD PRO 70 1HD PRO 70 -21.442 9.174 -4.751 521 2HD PRO 70 2HD PRO 70 -22.713 8.392 -5.711 522 H GLY 71 H GLY 71 -19.981 10.856 -9.799 523 1HA GLY 71 1HA GLY 71 -18.475 12.893 -8.277 524 2HA GLY 71 2HA GLY 71 -19.010 13.165 -9.928 525 H SER 72 H SER 72 -18.284 10.045 -10.019 526 HA SER 72 HA SER 72 -15.496 9.870 -9.861 527 1HB SER 72 1HB SER 72 -16.011 8.013 -11.733 528 2HB SER 72 2HB SER 72 -16.384 7.770 -10.026 529 HG SER 72 HG SER 72 -18.301 9.019 -11.627 530 H ARG 73 H ARG 73 -14.040 10.988 -10.961 531 HA ARG 73 HA ARG 73 -14.644 12.390 -13.362 532 1HB ARG 73 1HB ARG 73 -12.203 11.967 -11.696 533 2HB ARG 73 2HB ARG 73 -12.006 12.587 -13.329 534 1HG ARG 73 1HG ARG 73 -13.966 14.207 -12.423 535 2HG ARG 73 2HG ARG 73 -13.085 13.888 -10.928 536 1HD ARG 73 1HD ARG 73 -10.983 14.439 -12.320 537 2HD ARG 73 2HD ARG 73 -12.115 15.173 -13.456 538 HE ARG 73 HE ARG 73 -12.866 16.444 -11.323 539 1HH1 ARG 73 1HH1 ARG 73 -9.607 15.532 -12.151 540 2HH1 ARG 73 2HH1 ARG 73 -8.884 16.860 -11.306 541 1HH2 ARG 73 1HH2 ARG 73 -11.923 18.195 -10.209 542 2HH2 ARG 73 2HH2 ARG 73 -10.200 18.374 -10.202 543 H ASN 74 H ASN 74 -12.855 9.434 -12.626 544 HA ASN 74 HA ASN 74 -12.244 7.652 -13.918 545 1HB ASN 74 1HB ASN 74 -14.625 8.257 -14.938 546 2HB ASN 74 2HB ASN 74 -13.654 8.731 -16.329 547 2HD2 ASN 74 2HD2 ASN 74 -12.903 6.139 -14.085 548 1HD2 ASN 74 1HD2 ASN 74 -13.080 4.852 -15.223 549 H LEU 75 H LEU 75 -10.594 9.862 -13.677 550 HA LEU 75 HA LEU 75 -9.491 10.906 -16.030 551 1HB LEU 75 1HB LEU 75 -8.735 10.514 -13.208 552 2HB LEU 75 2HB LEU 75 -7.408 10.771 -14.316 553 HG LEU 75 HG LEU 75 -9.775 12.616 -13.877 554 1HD1 LEU 75 1HD1 LEU 75 -6.913 12.746 -12.953 555 2HD1 LEU 75 2HD1 LEU 75 -7.992 14.141 -12.961 556 3HD1 LEU 75 3HD1 LEU 75 -8.377 12.735 -11.969 557 1HD2 LEU 75 1HD2 LEU 75 -7.533 12.632 -15.835 558 2HD2 LEU 75 2HD2 LEU 75 -9.211 13.138 -16.031 559 3HD2 LEU 75 3HD2 LEU 75 -8.073 14.173 -15.167 560 H CYS 76 H CYS 76 -8.702 8.239 -14.033 561 HA CYS 76 HA CYS 76 -6.539 7.259 -15.637 562 1HB CYS 76 1HB CYS 76 -7.183 7.182 -13.051 563 2HB CYS 76 2HB CYS 76 -7.833 5.631 -13.550 564 H ASN 77 H ASN 77 -9.928 6.635 -15.170 565 HA ASN 77 HA ASN 77 -11.435 5.243 -16.172 566 1HB ASN 77 1HB ASN 77 -10.190 6.537 -18.155 567 2HB ASN 77 2HB ASN 77 -9.685 4.899 -18.558 568 2HD2 ASN 77 2HD2 ASN 77 -11.714 3.329 -18.173 569 1HD2 ASN 77 1HD2 ASN 77 -13.112 3.814 -19.061 570 H ILE 78 H ILE 78 -10.071 3.899 -14.398 571 HA ILE 78 HA ILE 78 -9.225 1.433 -15.717 572 HB ILE 78 HB ILE 78 -7.388 1.510 -14.486 573 1HG1 ILE 78 1HG1 ILE 78 -9.185 0.452 -12.763 574 2HG1 ILE 78 2HG1 ILE 78 -7.481 0.649 -12.388 575 1HG2 ILE 78 1HG2 ILE 78 -8.684 3.920 -13.252 576 2HG2 ILE 78 2HG2 ILE 78 -7.039 3.410 -12.873 577 3HG2 ILE 78 3HG2 ILE 78 -7.463 3.868 -14.523 578 1HD1 ILE 78 1HD1 ILE 78 -9.363 2.860 -11.754 579 2HD1 ILE 78 2HD1 ILE 78 -9.316 1.435 -10.716 580 3HD1 ILE 78 3HD1 ILE 78 -7.858 2.398 -10.960 581 HA PRO 79 HA PRO 79 -12.623 -0.465 -13.549 582 1HB PRO 79 1HB PRO 79 -11.967 -3.065 -13.782 583 2HB PRO 79 2HB PRO 79 -12.452 -2.112 -15.190 584 1HG PRO 79 1HG PRO 79 -9.723 -2.945 -14.313 585 2HG PRO 79 2HG PRO 79 -10.392 -2.836 -15.951 586 1HD PRO 79 1HD PRO 79 -8.760 -0.932 -14.761 587 2HD PRO 79 2HD PRO 79 -9.832 -0.635 -16.143 588 H CYS 80 H CYS 80 -12.605 -0.063 -11.375 589 HA CYS 80 HA CYS 80 -10.432 -0.536 -9.688 590 1HB CYS 80 1HB CYS 80 -13.275 0.206 -9.313 591 2HB CYS 80 2HB CYS 80 -12.434 -0.438 -7.906 592 H SER 81 H SER 81 -13.476 -2.426 -9.903 593 HA SER 81 HA SER 81 -12.806 -4.375 -8.059 594 1HB SER 81 1HB SER 81 -14.546 -5.702 -8.999 595 2HB SER 81 2HB SER 81 -15.037 -4.023 -9.216 596 HG SER 81 HG SER 81 -14.303 -5.923 -11.099 597 H ALA 82 H ALA 82 -11.701 -4.040 -11.365 598 HA ALA 82 HA ALA 82 -10.732 -6.716 -11.629 599 1HB ALA 82 1HB ALA 82 -10.589 -4.228 -13.217 600 2HB ALA 82 2HB ALA 82 -9.325 -5.425 -13.496 601 3HB ALA 82 3HB ALA 82 -11.019 -5.866 -13.706 602 H LEU 83 H LEU 83 -9.627 -4.054 -9.925 603 HA LEU 83 HA LEU 83 -6.829 -4.947 -9.993 604 1HB LEU 83 1HB LEU 83 -6.165 -2.853 -9.326 605 2HB LEU 83 2HB LEU 83 -7.593 -2.475 -10.269 606 HG LEU 83 HG LEU 83 -8.694 -2.702 -7.806 607 1HD1 LEU 83 1HD1 LEU 83 -5.836 -2.361 -7.410 608 2HD1 LEU 83 2HD1 LEU 83 -6.787 -1.081 -6.659 609 3HD1 LEU 83 3HD1 LEU 83 -7.101 -2.766 -6.250 610 1HD2 LEU 83 1HD2 LEU 83 -8.842 -0.855 -9.512 611 2HD2 LEU 83 2HD2 LEU 83 -8.865 -0.340 -7.825 612 3HD2 LEU 83 3HD2 LEU 83 -7.391 -0.172 -8.779 613 H LEU 84 H LEU 84 -9.578 -5.450 -8.214 614 HA LEU 84 HA LEU 84 -8.132 -5.739 -5.685 615 1HB LEU 84 1HB LEU 84 -11.088 -6.088 -6.037 616 2HB LEU 84 2HB LEU 84 -10.197 -5.645 -4.591 617 HG LEU 84 HG LEU 84 -10.495 -3.876 -7.018 618 1HD1 LEU 84 1HD1 LEU 84 -12.275 -4.388 -4.798 619 2HD1 LEU 84 2HD1 LEU 84 -11.787 -2.695 -4.882 620 3HD1 LEU 84 3HD1 LEU 84 -12.544 -3.465 -6.277 621 1HD2 LEU 84 1HD2 LEU 84 -8.453 -3.575 -5.592 622 2HD2 LEU 84 2HD2 LEU 84 -9.502 -2.162 -5.706 623 3HD2 LEU 84 3HD2 LEU 84 -9.531 -3.167 -4.257 624 H SER 85 H SER 85 -9.238 -7.633 -8.291 625 HA SER 85 HA SER 85 -9.806 -9.998 -6.799 626 1HB SER 85 1HB SER 85 -9.385 -10.988 -9.260 627 2HB SER 85 2HB SER 85 -10.882 -10.171 -8.811 628 HG SER 85 HG SER 85 -8.726 -8.661 -9.784 629 H SER 86 H SER 86 -7.401 -8.956 -6.042 630 HA SER 86 HA SER 86 -5.350 -9.661 -5.341 631 1HB SER 86 1HB SER 86 -6.491 -11.959 -5.347 632 2HB SER 86 2HB SER 86 -5.751 -12.202 -6.930 633 HG SER 86 HG SER 86 -4.491 -13.018 -5.157 634 H ASP 87 H ASP 87 -6.084 -8.394 -7.901 635 HA ASP 87 HA ASP 87 -3.630 -8.921 -9.426 636 1HB ASP 87 1HB ASP 87 -5.871 -9.540 -10.423 637 2HB ASP 87 2HB ASP 87 -6.245 -7.824 -10.433 638 H ILE 88 H ILE 88 -2.208 -7.271 -9.094 639 HA ILE 88 HA ILE 88 -3.209 -4.643 -8.392 640 HB ILE 88 HB ILE 88 -0.587 -4.197 -8.560 641 1HG1 ILE 88 1HG1 ILE 88 -0.564 -7.049 -7.636 642 2HG1 ILE 88 2HG1 ILE 88 -0.406 -6.686 -9.351 643 1HG2 ILE 88 1HG2 ILE 88 -2.342 -5.225 -6.421 644 2HG2 ILE 88 2HG2 ILE 88 -0.607 -5.234 -6.101 645 3HG2 ILE 88 3HG2 ILE 88 -1.418 -3.725 -6.516 646 1HD1 ILE 88 1HD1 ILE 88 1.369 -5.053 -7.773 647 2HD1 ILE 88 2HD1 ILE 88 1.620 -6.771 -7.464 648 3HD1 ILE 88 3HD1 ILE 88 1.728 -6.147 -9.110 649 H THR 89 H THR 89 -2.602 -6.263 -11.241 650 HA THR 89 HA THR 89 -1.218 -4.612 -12.898 651 HB THR 89 HB THR 89 -3.843 -5.786 -13.789 652 HG1 THR 89 HG1 THR 89 -2.904 -7.779 -13.826 653 1HG2 THR 89 1HG2 THR 89 -1.762 -4.496 -15.124 654 2HG2 THR 89 2HG2 THR 89 -1.520 -6.210 -15.461 655 3HG2 THR 89 3HG2 THR 89 -3.059 -5.444 -15.852 656 H ALA 90 H ALA 90 -4.737 -4.342 -12.332 657 HA ALA 90 HA ALA 90 -5.070 -2.012 -13.792 658 1HB ALA 90 1HB ALA 90 -6.686 -3.557 -11.891 659 2HB ALA 90 2HB ALA 90 -7.134 -1.862 -12.082 660 3HB ALA 90 3HB ALA 90 -7.097 -2.928 -13.487 661 H SER 91 H SER 91 -4.496 -2.483 -10.317 662 HA SER 91 HA SER 91 -4.748 0.229 -9.570 663 1HB SER 91 1HB SER 91 -2.895 -0.935 -7.818 664 2HB SER 91 2HB SER 91 -4.638 -0.801 -7.580 665 HG SER 91 HG SER 91 -3.715 -2.979 -7.464 666 H VAL 92 H VAL 92 -2.056 -1.658 -10.738 667 HA VAL 92 HA VAL 92 -0.143 0.390 -10.226 668 HB VAL 92 HB VAL 92 0.066 -2.047 -11.989 669 1HG1 VAL 92 1HG1 VAL 92 1.953 0.235 -11.537 670 2HG1 VAL 92 2HG1 VAL 92 2.594 -1.384 -11.817 671 3HG1 VAL 92 3HG1 VAL 92 1.569 -0.618 -13.031 672 1HG2 VAL 92 1HG2 VAL 92 0.730 -1.403 -9.180 673 2HG2 VAL 92 2HG2 VAL 92 0.251 -2.935 -9.910 674 3HG2 VAL 92 3HG2 VAL 92 1.913 -2.366 -10.066 675 H ASN 93 H ASN 93 -1.631 -0.804 -13.249 676 HA ASN 93 HA ASN 93 -0.524 0.834 -15.038 677 1HB ASN 93 1HB ASN 93 -2.023 -0.176 -16.306 678 2HB ASN 93 2HB ASN 93 -2.863 -0.695 -14.868 679 2HD2 ASN 93 2HD2 ASN 93 -2.707 1.691 -17.380 680 1HD2 ASN 93 1HD2 ASN 93 -4.274 2.369 -17.117 681 H CYS 94 H CYS 94 -3.085 1.599 -12.796 682 HA CYS 94 HA CYS 94 -3.596 4.221 -13.679 683 1HB CYS 94 1HB CYS 94 -4.904 2.704 -11.997 684 2HB CYS 94 2HB CYS 94 -3.861 3.459 -10.795 685 H ALA 95 H ALA 95 -1.482 2.991 -11.073 686 HA ALA 95 HA ALA 95 -0.501 5.587 -10.415 687 1HB ALA 95 1HB ALA 95 0.004 4.406 -8.625 688 2HB ALA 95 2HB ALA 95 1.434 3.888 -9.519 689 3HB ALA 95 3HB ALA 95 -0.013 2.880 -9.511 690 H LYS 96 H LYS 96 0.669 3.008 -12.539 691 HA LYS 96 HA LYS 96 3.193 3.896 -13.134 692 1HB LYS 96 1HB LYS 96 1.915 1.877 -14.107 693 2HB LYS 96 2HB LYS 96 1.270 3.010 -15.287 694 1HG LYS 96 1HG LYS 96 3.490 3.502 -16.093 695 2HG LYS 96 2HG LYS 96 4.200 2.480 -14.841 696 1HD LYS 96 1HD LYS 96 3.952 0.673 -16.114 697 2HD LYS 96 2HD LYS 96 2.227 0.996 -16.299 698 1HE LYS 96 1HE LYS 96 2.507 2.098 -18.288 699 2HE LYS 96 2HE LYS 96 4.148 2.608 -17.898 700 1HZ LYS 96 1HZ LYS 96 4.626 0.076 -18.060 701 2HZ LYS 96 2HZ LYS 96 3.209 0.045 -18.986 702 3HZ LYS 96 3HZ LYS 96 4.517 1.002 -19.470 703 H LYS 97 H LYS 97 0.076 4.986 -14.010 704 HA LYS 97 HA LYS 97 0.946 7.128 -15.766 705 1HB LYS 97 1HB LYS 97 -1.265 5.823 -15.961 706 2HB LYS 97 2HB LYS 97 -1.824 6.819 -14.624 707 1HG LYS 97 1HG LYS 97 -1.479 8.826 -15.935 708 2HG LYS 97 2HG LYS 97 -0.829 7.867 -17.266 709 1HD LYS 97 1HD LYS 97 -3.389 6.837 -16.477 710 2HD LYS 97 2HD LYS 97 -3.510 8.567 -16.799 711 1HE LYS 97 1HE LYS 97 -2.737 8.320 -19.003 712 2HE LYS 97 2HE LYS 97 -2.125 6.695 -18.694 713 1HZ LYS 97 1HZ LYS 97 -4.884 6.761 -18.157 714 2HZ LYS 97 2HZ LYS 97 -4.620 7.419 -19.693 715 3HZ LYS 97 3HZ LYS 97 -4.059 5.864 -19.330 716 H ILE 98 H ILE 98 -0.209 6.724 -12.458 717 HA ILE 98 HA ILE 98 -0.520 9.410 -11.794 718 HB ILE 98 HB ILE 98 0.289 7.136 -9.998 719 1HG1 ILE 98 1HG1 ILE 98 -2.409 8.463 -10.353 720 2HG1 ILE 98 2HG1 ILE 98 -1.939 6.980 -11.176 721 1HG2 ILE 98 1HG2 ILE 98 -0.702 9.899 -9.298 722 2HG2 ILE 98 2HG2 ILE 98 -0.459 8.580 -8.154 723 3HG2 ILE 98 3HG2 ILE 98 0.920 9.269 -9.010 724 1HD1 ILE 98 1HD1 ILE 98 -1.478 6.752 -8.350 725 2HD1 ILE 98 2HD1 ILE 98 -3.143 7.227 -8.681 726 3HD1 ILE 98 3HD1 ILE 98 -2.482 5.764 -9.411 727 H VAL 99 H VAL 99 2.280 7.296 -11.398 728 HA VAL 99 HA VAL 99 4.003 9.343 -10.450 729 HB VAL 99 HB VAL 99 4.193 6.775 -10.156 730 1HG1 VAL 99 1HG1 VAL 99 4.310 6.278 -12.572 731 2HG1 VAL 99 2HG1 VAL 99 5.851 7.132 -12.647 732 3HG1 VAL 99 3HG1 VAL 99 5.701 5.665 -11.680 733 1HG2 VAL 99 1HG2 VAL 99 6.348 8.803 -10.425 734 2HG2 VAL 99 2HG2 VAL 99 5.759 7.961 -8.992 735 3HG2 VAL 99 3HG2 VAL 99 6.801 7.123 -10.141 736 H SER 100 H SER 100 3.108 8.195 -13.617 737 HA SER 100 HA SER 100 5.357 9.476 -14.923 738 1HB SER 100 1HB SER 100 3.069 7.787 -15.761 739 2HB SER 100 2HB SER 100 3.621 8.969 -16.947 740 HG SER 100 HG SER 100 5.542 7.417 -15.642 741 H ASP 101 H ASP 101 2.544 10.466 -13.519 742 HA ASP 101 HA ASP 101 2.067 12.691 -15.360 743 1HB ASP 101 1HB ASP 101 0.434 11.193 -13.496 744 2HB ASP 101 2HB ASP 101 0.306 12.924 -13.196 745 H GLY 102 H GLY 102 3.995 12.050 -12.741 746 1HA GLY 102 1HA GLY 102 3.838 14.827 -11.757 747 2HA GLY 102 2HA GLY 102 5.374 14.136 -12.252 748 H ASN 103 H ASN 103 2.676 12.899 -10.278 749 HA ASN 103 HA ASN 103 3.939 13.115 -7.798 750 1HB ASN 103 1HB ASN 103 1.863 11.096 -8.671 751 2HB ASN 103 2HB ASN 103 2.268 11.495 -7.004 752 2HD2 ASN 103 2HD2 ASN 103 1.833 13.651 -6.268 753 1HD2 ASN 103 1HD2 ASN 103 0.548 14.561 -6.979 754 H GLY 104 H GLY 104 6.032 12.381 -7.759 755 1HA GLY 104 1HA GLY 104 7.766 10.823 -8.215 756 2HA GLY 104 2HA GLY 104 6.546 9.597 -8.513 757 H MET 105 H MET 105 5.179 9.078 -6.493 758 HA MET 105 HA MET 105 5.276 7.834 -4.572 759 1HB MET 105 1HB MET 105 8.054 8.922 -4.086 760 2HB MET 105 2HB MET 105 7.292 7.554 -3.289 761 1HG MET 105 1HG MET 105 8.461 7.747 -6.020 762 2HG MET 105 2HG MET 105 8.702 6.522 -4.777 763 1HE MET 105 1HE MET 105 5.837 5.906 -3.864 764 2HE MET 105 2HE MET 105 5.235 4.643 -4.938 765 3HE MET 105 3HE MET 105 6.867 4.535 -4.277 766 H ASN 106 H ASN 106 5.191 10.965 -5.114 767 HA ASN 106 HA ASN 106 5.207 11.903 -2.367 768 1HB ASN 106 1HB ASN 106 5.216 13.117 -5.070 769 2HB ASN 106 2HB ASN 106 4.429 14.032 -3.799 770 2HD2 ASN 106 2HD2 ASN 106 5.703 15.442 -2.847 771 1HD2 ASN 106 1HD2 ASN 106 7.408 15.287 -2.618 772 H ALA 107 H ALA 107 2.966 11.116 -4.938 773 HA ALA 107 HA ALA 107 0.668 12.383 -3.918 774 1HB ALA 107 1HB ALA 107 1.277 10.453 -5.991 775 2HB ALA 107 2HB ALA 107 -0.254 10.099 -5.189 776 3HB ALA 107 3HB ALA 107 0.010 11.678 -5.927 777 H TRP 108 H TRP 108 2.283 9.428 -3.097 778 HA TRP 108 HA TRP 108 0.087 8.551 -1.395 779 1HB TRP 108 1HB TRP 108 2.753 7.236 -1.967 780 2HB TRP 108 2HB TRP 108 1.400 6.507 -1.101 781 HD1 TRP 108 HD1 TRP 108 -0.695 5.692 -2.548 782 HE1 TRP 108 HE1 TRP 108 -0.985 5.217 -5.060 783 HE3 TRP 108 HE3 TRP 108 3.508 8.011 -4.303 784 HZ2 TRP 108 HZ2 TRP 108 0.384 5.757 -7.477 785 HZ3 TRP 108 HZ3 TRP 108 3.945 7.988 -6.725 786 HH2 TRP 108 HH2 TRP 108 2.416 6.883 -8.275 787 H VAL 109 H VAL 109 -0.036 9.166 0.623 788 HA VAL 109 HA VAL 109 1.969 10.687 1.920 789 HB VAL 109 HB VAL 109 -0.056 9.528 3.610 790 1HG1 VAL 109 1HG1 VAL 109 0.884 12.313 3.015 791 2HG1 VAL 109 2HG1 VAL 109 -0.386 11.943 4.181 792 3HG1 VAL 109 3HG1 VAL 109 1.249 11.334 4.435 793 1HG2 VAL 109 1HG2 VAL 109 -1.285 9.631 1.478 794 2HG2 VAL 109 2HG2 VAL 109 -1.928 10.751 2.679 795 3HG2 VAL 109 3HG2 VAL 109 -0.906 11.350 1.373 796 H ALA 110 H ALA 110 1.307 7.288 1.907 797 HA ALA 110 HA ALA 110 2.507 6.704 4.418 798 1HB ALA 110 1HB ALA 110 2.438 4.752 2.145 799 2HB ALA 110 2HB ALA 110 2.256 4.457 3.874 800 3HB ALA 110 3HB ALA 110 0.952 5.225 2.968 801 H TRP 111 H TRP 111 3.713 7.308 1.234 802 HA TRP 111 HA TRP 111 6.327 6.226 1.808 803 1HB TRP 111 1HB TRP 111 5.457 6.182 -0.495 804 2HB TRP 111 2HB TRP 111 5.420 7.937 -0.515 805 HD1 TRP 111 HD1 TRP 111 7.758 4.996 -0.925 806 HE1 TRP 111 HE1 TRP 111 10.078 5.843 -1.650 807 HE3 TRP 111 HE3 TRP 111 7.044 10.015 -0.248 808 HZ2 TRP 111 HZ2 TRP 111 11.425 8.308 -1.904 809 HZ3 TRP 111 HZ3 TRP 111 8.899 11.548 -0.756 810 HH2 TRP 111 HH2 TRP 111 11.044 10.712 -1.565 811 H ARG 112 H ARG 112 4.739 9.405 1.792 812 HA ARG 112 HA ARG 112 7.250 10.703 2.486 813 1HB ARG 112 1HB ARG 112 4.558 11.556 1.610 814 2HB ARG 112 2HB ARG 112 5.414 12.646 2.691 815 1HG ARG 112 1HG ARG 112 7.372 12.422 1.051 816 2HG ARG 112 2HG ARG 112 6.178 11.754 -0.064 817 1HD ARG 112 1HD ARG 112 6.144 13.997 -0.611 818 2HD ARG 112 2HD ARG 112 4.811 13.877 0.538 819 HE ARG 112 HE ARG 112 7.472 14.714 1.455 820 1HH1 ARG 112 1HH1 ARG 112 4.087 15.376 0.963 821 2HH1 ARG 112 2HH1 ARG 112 4.099 16.821 1.919 822 1HH2 ARG 112 1HH2 ARG 112 7.497 16.615 2.715 823 2HH2 ARG 112 2HH2 ARG 112 6.037 17.525 2.914 824 H ASN 113 H ASN 113 6.580 8.875 4.354 825 HA ASN 113 HA ASN 113 6.175 10.534 6.684 826 1HB ASN 113 1HB ASN 113 3.908 9.458 5.753 827 2HB ASN 113 2HB ASN 113 4.489 8.082 6.685 828 2HD2 ASN 113 2HD2 ASN 113 3.593 8.009 8.600 829 1HD2 ASN 113 1HD2 ASN 113 3.223 9.361 9.611 830 H ARG 114 H ARG 114 6.209 7.107 5.744 831 HA ARG 114 HA ARG 114 8.246 6.643 7.818 832 1HB ARG 114 1HB ARG 114 5.973 5.040 6.788 833 2HB ARG 114 2HB ARG 114 7.421 4.165 7.253 834 1HG ARG 114 1HG ARG 114 6.174 6.162 9.099 835 2HG ARG 114 2HG ARG 114 5.567 4.508 8.998 836 1HD ARG 114 1HD ARG 114 8.284 4.153 9.210 837 2HD ARG 114 2HD ARG 114 7.991 5.546 10.250 838 HE ARG 114 HE ARG 114 6.093 3.544 10.807 839 1HH1 ARG 114 1HH1 ARG 114 9.487 4.228 11.197 840 2HH1 ARG 114 2HH1 ARG 114 9.650 3.258 12.623 841 1HH2 ARG 114 1HH2 ARG 114 6.298 2.265 12.683 842 2HH2 ARG 114 2HH2 ARG 114 7.837 2.142 13.466 843 H CYS 115 H CYS 115 8.256 7.277 4.684 844 HA CYS 115 HA CYS 115 10.284 5.227 4.076 845 1HB CYS 115 1HB CYS 115 8.555 6.730 2.107 846 2HB CYS 115 2HB CYS 115 9.738 5.488 1.714 847 H LYS 116 H LYS 116 9.407 8.608 3.272 848 HA LYS 116 HA LYS 116 11.949 9.263 2.244 849 1HB LYS 116 1HB LYS 116 9.814 10.529 1.847 850 2HB LYS 116 2HB LYS 116 9.950 11.160 3.482 851 1HG LYS 116 1HG LYS 116 11.835 12.428 2.966 852 2HG LYS 116 2HG LYS 116 12.166 11.507 1.498 853 1HD LYS 116 1HD LYS 116 10.047 12.411 0.541 854 2HD LYS 116 2HD LYS 116 9.897 13.438 1.967 855 1HE LYS 116 1HE LYS 116 11.534 14.843 1.291 856 2HE LYS 116 2HE LYS 116 12.489 13.549 0.568 857 1HZ LYS 116 1HZ LYS 116 9.988 14.177 -0.768 858 2HZ LYS 116 2HZ LYS 116 11.182 15.374 -0.849 859 3HZ LYS 116 3HZ LYS 116 11.506 13.817 -1.422 860 H GLY 117 H GLY 117 13.467 8.466 3.755 861 1HA GLY 117 1HA GLY 117 13.512 9.745 6.389 862 2HA GLY 117 2HA GLY 117 14.869 10.038 5.314 863 H THR 118 H THR 118 13.724 6.967 4.709 864 HA THR 118 HA THR 118 15.659 5.790 6.591 865 HB THR 118 HB THR 118 14.298 3.713 6.505 866 HG1 THR 118 HG1 THR 118 12.790 3.609 5.034 867 1HG2 THR 118 1HG2 THR 118 12.907 6.215 7.459 868 2HG2 THR 118 2HG2 THR 118 12.396 4.580 7.877 869 3HG2 THR 118 3HG2 THR 118 13.978 5.167 8.389 870 H ASP 119 H ASP 119 15.134 3.159 5.211 871 HA ASP 119 HA ASP 119 16.537 3.663 2.692 872 1HB ASP 119 1HB ASP 119 17.923 2.842 4.734 873 2HB ASP 119 2HB ASP 119 17.263 1.300 4.244 874 H VAL 120 H VAL 120 14.994 3.149 1.260 875 HA VAL 120 HA VAL 120 13.188 0.967 1.615 876 HB VAL 120 HB VAL 120 12.544 1.452 -0.763 877 1HG1 VAL 120 1HG1 VAL 120 12.231 3.105 1.568 878 2HG1 VAL 120 2HG1 VAL 120 12.166 4.085 0.103 879 3HG1 VAL 120 3HG1 VAL 120 11.065 2.722 0.301 880 1HG2 VAL 120 1HG2 VAL 120 14.959 3.104 -0.566 881 2HG2 VAL 120 2HG2 VAL 120 14.168 2.411 -1.983 882 3HG2 VAL 120 3HG2 VAL 120 13.570 3.918 -1.288 883 H GLN 121 H GLN 121 16.251 1.479 0.020 884 HA GLN 121 HA GLN 121 16.269 -0.756 -1.677 885 1HB GLN 121 1HB GLN 121 18.262 1.092 -0.550 886 2HB GLN 121 2HB GLN 121 18.891 -0.511 -0.906 887 1HG GLN 121 1HG GLN 121 19.285 0.598 -2.873 888 2HG GLN 121 2HG GLN 121 17.734 -0.174 -3.202 889 2HE2 GLN 121 2HE2 GLN 121 15.978 1.061 -3.599 890 1HE2 GLN 121 1HE2 GLN 121 15.996 2.788 -3.653 891 H ALA 122 H ALA 122 16.512 -0.404 1.715 892 HA ALA 122 HA ALA 122 17.594 -3.070 2.144 893 1HB ALA 122 1HB ALA 122 17.057 -0.701 3.855 894 2HB ALA 122 2HB ALA 122 17.040 -2.292 4.617 895 3HB ALA 122 3HB ALA 122 18.483 -1.736 3.769 896 H TRP 123 H TRP 123 14.566 -1.439 1.925 897 HA TRP 123 HA TRP 123 12.977 -3.116 3.545 898 1HB TRP 123 1HB TRP 123 12.461 -1.233 1.302 899 2HB TRP 123 2HB TRP 123 11.194 -2.392 1.688 900 HD1 TRP 123 HD1 TRP 123 11.520 0.965 2.244 901 HE1 TRP 123 HE1 TRP 123 10.731 1.766 4.560 902 HE3 TRP 123 HE3 TRP 123 11.571 -3.478 4.743 903 HZ2 TRP 123 HZ2 TRP 123 10.211 0.627 7.079 904 HZ3 TRP 123 HZ3 TRP 123 10.916 -3.545 7.094 905 HH2 TRP 123 HH2 TRP 123 10.243 -1.509 8.250 906 H ILE 124 H ILE 124 14.569 -3.706 0.601 907 HA ILE 124 HA ILE 124 13.063 -6.217 0.268 908 HB ILE 124 HB ILE 124 13.619 -6.080 -2.177 909 1HG1 ILE 124 1HG1 ILE 124 13.900 -3.133 -1.955 910 2HG1 ILE 124 2HG1 ILE 124 15.310 -4.092 -1.511 911 1HG2 ILE 124 1HG2 ILE 124 11.702 -4.328 -0.752 912 2HG2 ILE 124 2HG2 ILE 124 11.904 -4.072 -2.485 913 3HG2 ILE 124 3HG2 ILE 124 11.409 -5.652 -1.880 914 1HD1 ILE 124 1HD1 ILE 124 14.878 -5.272 -3.787 915 2HD1 ILE 124 2HD1 ILE 124 13.969 -3.806 -4.154 916 3HD1 ILE 124 3HD1 ILE 124 15.680 -3.702 -3.739 917 H ARG 125 H ARG 125 15.732 -5.196 1.494 918 HA ARG 125 HA ARG 125 17.841 -6.413 0.072 919 1HB ARG 125 1HB ARG 125 17.598 -4.879 2.381 920 2HB ARG 125 2HB ARG 125 18.237 -6.415 2.952 921 1HG ARG 125 1HG ARG 125 20.074 -6.246 1.350 922 2HG ARG 125 2HG ARG 125 19.435 -4.702 0.784 923 1HD ARG 125 1HD ARG 125 19.607 -3.981 3.254 924 2HD ARG 125 2HD ARG 125 20.667 -5.379 3.432 925 HE ARG 125 HE ARG 125 21.576 -3.910 1.251 926 1HH1 ARG 125 1HH1 ARG 125 21.229 -3.526 4.697 927 2HH1 ARG 125 2HH1 ARG 125 22.571 -2.440 4.841 928 1HH2 ARG 125 1HH2 ARG 125 23.344 -2.481 1.431 929 2HH2 ARG 125 2HH2 ARG 125 23.773 -1.846 2.984 930 H GLY 126 H GLY 126 17.533 -8.501 -0.533 931 1HA GLY 126 1HA GLY 126 17.202 -10.455 1.657 932 2HA GLY 126 2HA GLY 126 18.173 -10.742 0.221 933 H CYS 127 H CYS 127 15.478 -9.112 -0.760 934 HA CYS 127 HA CYS 127 13.494 -11.086 -0.748 935 1HB CYS 127 1HB CYS 127 13.932 -8.553 -2.110 936 2HB CYS 127 2HB CYS 127 12.766 -9.627 -2.855 937 H ARG 128 H ARG 128 12.532 -11.530 -3.181 938 HA ARG 128 HA ARG 128 14.683 -12.620 -4.837 939 1HB ARG 128 1HB ARG 128 13.778 -14.359 -3.188 940 2HB ARG 128 2HB ARG 128 12.292 -14.307 -4.125 941 1HG ARG 128 1HG ARG 128 13.199 -15.402 -5.890 942 2HG ARG 128 2HG ARG 128 14.810 -14.735 -5.619 943 1HD ARG 128 1HD ARG 128 15.404 -16.392 -4.193 944 2HD ARG 128 2HD ARG 128 13.776 -16.555 -3.535 945 HE ARG 128 HE ARG 128 14.563 -17.645 -6.162 946 1HH1 ARG 128 1HH1 ARG 128 12.911 -17.902 -3.105 947 2HH1 ARG 128 2HH1 ARG 128 12.240 -19.460 -3.452 948 1HH2 ARG 128 1HH2 ARG 128 13.686 -19.697 -6.627 949 2HH2 ARG 128 2HH2 ARG 128 12.681 -20.481 -5.454 950 H LEU 129 H LEU 129 14.187 -11.051 -6.379 951 HA LEU 129 HA LEU 129 11.700 -11.563 -7.857 952 1HB LEU 129 1HB LEU 129 11.661 -9.086 -8.379 953 2HB LEU 129 2HB LEU 129 11.200 -9.549 -6.752 954 HG LEU 129 HG LEU 129 13.973 -9.053 -6.667 955 1HD1 LEU 129 1HD1 LEU 129 13.038 -7.723 -8.859 956 2HD1 LEU 129 2HD1 LEU 129 12.867 -6.511 -7.590 957 3HD1 LEU 129 3HD1 LEU 129 14.439 -7.246 -7.899 958 1HD2 LEU 129 1HD2 LEU 129 11.799 -8.559 -5.144 959 2HD2 LEU 129 2HD2 LEU 129 13.382 -7.827 -4.874 960 3HD2 LEU 129 3HD2 LEU 129 12.138 -6.941 -5.756 No H/Q in entry = 960 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -6.999 -9.218 2.165 2 H2 LYS 1 H2 LYS 1 -7.881 -10.401 1.336 3 H3 LYS 1 H3 LYS 1 -7.399 -10.671 2.935 4 HA LYS 1 HA LYS 1 -5.496 -11.539 2.293 5 1HB LYS 1 1HB LYS 1 -7.080 -12.134 0.355 6 2HB LYS 1 2HB LYS 1 -6.224 -10.901 -0.561 7 1HG LYS 1 1HG LYS 1 -4.409 -12.190 -0.847 8 2HG LYS 1 2HG LYS 1 -4.506 -12.870 0.779 9 1HD LYS 1 1HD LYS 1 -5.438 -14.722 -0.024 10 2HD LYS 1 2HD LYS 1 -6.745 -13.778 -0.742 11 1HE LYS 1 1HE LYS 1 -5.509 -13.464 -2.758 12 2HE LYS 1 2HE LYS 1 -4.050 -14.142 -2.036 13 1HZ LYS 1 1HZ LYS 1 -5.929 -16.103 -1.748 14 2HZ LYS 1 2HZ LYS 1 -6.240 -15.479 -3.288 15 3HZ LYS 1 3HZ LYS 1 -4.700 -16.064 -2.908 16 H VAL 2 H VAL 2 -3.711 -10.468 2.838 17 HA VAL 2 HA VAL 2 -3.012 -7.996 1.422 18 HB VAL 2 HB VAL 2 -2.080 -9.149 4.052 19 1HG1 VAL 2 1HG1 VAL 2 -0.403 -7.781 2.440 20 2HG1 VAL 2 2HG1 VAL 2 -1.186 -6.448 3.288 21 3HG1 VAL 2 3HG1 VAL 2 -0.350 -7.703 4.202 22 1HG2 VAL 2 1HG2 VAL 2 -4.223 -7.494 3.373 23 2HG2 VAL 2 2HG2 VAL 2 -3.597 -7.823 4.988 24 3HG2 VAL 2 3HG2 VAL 2 -3.013 -6.427 4.082 25 H PHE 3 H PHE 3 -0.952 -7.705 0.475 26 HA PHE 3 HA PHE 3 0.288 -10.095 -0.532 27 1HB PHE 3 1HB PHE 3 0.891 -7.151 -0.871 28 2HB PHE 3 2HB PHE 3 1.853 -8.418 -1.616 29 HD1 PHE 3 HD1 PHE 3 -0.173 -10.291 -2.562 30 HD2 PHE 3 HD2 PHE 3 -0.155 -6.038 -2.566 31 HE1 PHE 3 HE1 PHE 3 -1.669 -10.288 -4.512 32 HE2 PHE 3 HE2 PHE 3 -1.652 -6.026 -4.507 33 HZ PHE 3 HZ PHE 3 -2.414 -8.153 -5.489 34 H GLY 4 H GLY 4 2.711 -10.252 -0.482 35 1HA GLY 4 1HA GLY 4 4.377 -10.913 1.052 36 2HA GLY 4 2HA GLY 4 3.630 -9.884 2.268 37 H ARG 5 H ARG 5 6.437 -9.981 1.530 38 HA ARG 5 HA ARG 5 6.769 -7.148 0.939 39 1HB ARG 5 1HB ARG 5 8.810 -9.199 1.815 40 2HB ARG 5 2HB ARG 5 9.088 -7.468 1.679 41 1HG ARG 5 1HG ARG 5 7.365 -7.096 3.414 42 2HG ARG 5 2HG ARG 5 7.218 -8.846 3.594 43 1HD ARG 5 1HD ARG 5 9.977 -8.084 3.734 44 2HD ARG 5 2HD ARG 5 9.037 -7.118 4.870 45 HE ARG 5 HE ARG 5 8.145 -9.390 5.622 46 1HH1 ARG 5 1HH1 ARG 5 11.359 -8.861 4.382 47 2HH1 ARG 5 2HH1 ARG 5 12.055 -10.178 5.265 48 1HH2 ARG 5 1HH2 ARG 5 9.055 -11.126 6.788 49 2HH2 ARG 5 2HH2 ARG 5 10.746 -11.466 6.633 50 H CYS 6 H CYS 6 8.345 -10.167 -0.140 51 HA CYS 6 HA CYS 6 9.347 -8.812 -2.475 52 1HB CYS 6 1HB CYS 6 9.423 -11.783 -2.058 53 2HB CYS 6 2HB CYS 6 10.522 -10.759 -2.975 54 H GLU 7 H GLU 7 6.790 -11.132 -1.745 55 HA GLU 7 HA GLU 7 6.060 -12.006 -4.229 56 1HB GLU 7 1HB GLU 7 4.730 -11.652 -1.697 57 2HB GLU 7 2HB GLU 7 3.629 -11.242 -3.004 58 1HG GLU 7 1HG GLU 7 4.917 -13.620 -3.765 59 2HG GLU 7 2HG GLU 7 4.457 -13.810 -2.074 60 H LEU 8 H LEU 8 5.032 -8.973 -2.709 61 HA LEU 8 HA LEU 8 3.771 -7.978 -5.052 62 1HB LEU 8 1HB LEU 8 3.036 -7.092 -2.969 63 2HB LEU 8 2HB LEU 8 4.668 -6.635 -2.512 64 HG LEU 8 HG LEU 8 4.322 -5.212 -4.826 65 1HD1 LEU 8 1HD1 LEU 8 1.730 -6.003 -4.039 66 2HD1 LEU 8 2HD1 LEU 8 1.891 -4.285 -3.679 67 3HD1 LEU 8 3HD1 LEU 8 2.193 -4.874 -5.313 68 1HD2 LEU 8 1HD2 LEU 8 4.306 -4.671 -1.951 69 2HD2 LEU 8 2HD2 LEU 8 5.197 -3.884 -3.254 70 3HD2 LEU 8 3HD2 LEU 8 3.525 -3.430 -2.929 71 H ALA 9 H ALA 9 7.055 -7.675 -3.681 72 HA ALA 9 HA ALA 9 7.903 -5.570 -5.347 73 1HB ALA 9 1HB ALA 9 9.221 -7.590 -3.669 74 2HB ALA 9 2HB ALA 9 9.471 -5.847 -3.769 75 3HB ALA 9 3HB ALA 9 10.197 -6.912 -4.974 76 H ALA 10 H ALA 10 8.356 -9.095 -5.757 77 HA ALA 10 HA ALA 10 9.599 -9.071 -8.215 78 1HB ALA 10 1HB ALA 10 7.816 -11.233 -8.303 79 2HB ALA 10 2HB ALA 10 9.496 -11.254 -7.768 80 3HB ALA 10 3HB ALA 10 8.202 -11.002 -6.597 81 H ALA 11 H ALA 11 6.198 -8.738 -7.368 82 HA ALA 11 HA ALA 11 5.200 -8.806 -10.000 83 1HB ALA 11 1HB ALA 11 3.817 -7.206 -7.921 84 2HB ALA 11 2HB ALA 11 3.966 -8.948 -7.691 85 3HB ALA 11 3HB ALA 11 3.142 -8.313 -9.115 86 H MET 12 H MET 12 6.398 -6.304 -7.988 87 HA MET 12 HA MET 12 5.675 -4.045 -9.477 88 1HB MET 12 1HB MET 12 8.316 -4.262 -8.059 89 2HB MET 12 2HB MET 12 7.334 -2.838 -8.288 90 1HG MET 12 1HG MET 12 6.800 -5.134 -6.445 91 2HG MET 12 2HG MET 12 7.163 -3.464 -6.017 92 1HE MET 12 1HE MET 12 5.897 -1.713 -7.522 93 2HE MET 12 2HE MET 12 4.146 -1.707 -7.731 94 3HE MET 12 3HE MET 12 4.845 -1.421 -6.137 95 H LYS 13 H LYS 13 8.691 -5.920 -9.561 96 HA LYS 13 HA LYS 13 9.978 -4.552 -11.602 97 1HB LYS 13 1HB LYS 13 10.787 -6.514 -10.083 98 2HB LYS 13 2HB LYS 13 10.182 -7.538 -11.378 99 1HG LYS 13 1HG LYS 13 11.665 -5.818 -12.813 100 2HG LYS 13 2HG LYS 13 12.554 -5.796 -11.288 101 1HD LYS 13 1HD LYS 13 13.110 -8.030 -11.428 102 2HD LYS 13 2HD LYS 13 11.733 -8.415 -12.461 103 1HE LYS 13 1HE LYS 13 12.787 -7.310 -14.337 104 2HE LYS 13 2HE LYS 13 14.126 -6.790 -13.315 105 1HZ LYS 13 1HZ LYS 13 14.549 -9.220 -12.914 106 2HZ LYS 13 2HZ LYS 13 13.456 -9.548 -14.162 107 3HZ LYS 13 3HZ LYS 13 14.869 -8.675 -14.483 108 H ARG 14 H ARG 14 7.749 -7.294 -11.787 109 HA ARG 14 HA ARG 14 7.830 -7.602 -14.582 110 1HB ARG 14 1HB ARG 14 6.244 -8.621 -12.360 111 2HB ARG 14 2HB ARG 14 5.276 -8.384 -13.810 112 1HG ARG 14 1HG ARG 14 7.179 -9.669 -15.000 113 2HG ARG 14 2HG ARG 14 7.606 -10.202 -13.372 114 1HD ARG 14 1HD ARG 14 4.759 -10.411 -14.168 115 2HD ARG 14 2HD ARG 14 5.891 -11.532 -14.923 116 HE ARG 14 HE ARG 14 6.321 -12.483 -12.818 117 1HH1 ARG 14 1HH1 ARG 14 3.970 -9.916 -12.664 118 2HH1 ARG 14 2HH1 ARG 14 3.386 -10.371 -11.098 119 1HH2 ARG 14 1HH2 ARG 14 5.559 -13.088 -10.756 120 2HH2 ARG 14 2HH2 ARG 14 4.290 -12.174 -10.013 121 H HIS 15 H HIS 15 5.769 -5.659 -12.453 122 HA HIS 15 HA HIS 15 4.105 -4.712 -14.552 123 1HB HIS 15 1HB HIS 15 4.465 -4.133 -11.648 124 2HB HIS 15 2HB HIS 15 3.584 -2.964 -12.630 125 HD1 HIS 15 HD1 HIS 15 2.223 -4.589 -10.366 126 HD2 HIS 15 HD2 HIS 15 2.192 -5.649 -14.384 127 HE1 HIS 15 HE1 HIS 15 0.206 -6.059 -10.657 128 HE2 HIS 15 HE2 HIS 15 0.160 -6.620 -13.113 129 H GLY 16 H GLY 16 7.296 -3.999 -13.875 130 1HA GLY 16 1HA GLY 16 7.164 -1.694 -15.563 131 2HA GLY 16 2HA GLY 16 8.609 -2.459 -14.937 132 H LEU 17 H LEU 17 7.384 -2.077 -12.061 133 HA LEU 17 HA LEU 17 7.584 0.821 -11.929 134 1HB LEU 17 1HB LEU 17 7.380 -0.920 -9.509 135 2HB LEU 17 2HB LEU 17 6.796 0.713 -9.742 136 HG LEU 17 HG LEU 17 5.492 -1.862 -10.291 137 1HD1 LEU 17 1HD1 LEU 17 4.960 0.062 -8.602 138 2HD1 LEU 17 2HD1 LEU 17 4.133 0.776 -9.987 139 3HD1 LEU 17 3HD1 LEU 17 3.651 -0.815 -9.397 140 1HD2 LEU 17 1HD2 LEU 17 5.420 0.389 -12.267 141 2HD2 LEU 17 2HD2 LEU 17 5.480 -1.349 -12.555 142 3HD2 LEU 17 3HD2 LEU 17 3.985 -0.599 -11.996 143 H ASP 18 H ASP 18 9.664 -1.527 -12.239 144 HA ASP 18 HA ASP 18 11.597 -0.996 -10.212 145 1HB ASP 18 1HB ASP 18 11.622 -3.141 -11.311 146 2HB ASP 18 2HB ASP 18 11.810 -2.384 -12.889 147 H ASN 19 H ASN 19 11.744 1.282 -10.270 148 HA ASN 19 HA ASN 19 12.781 3.241 -10.743 149 1HB ASN 19 1HB ASN 19 14.644 1.326 -11.415 150 2HB ASN 19 2HB ASN 19 14.522 2.270 -12.897 151 2HD2 ASN 19 2HD2 ASN 19 14.845 4.580 -12.729 152 1HD2 ASN 19 1HD2 ASN 19 15.912 5.200 -11.520 153 H TYR 20 H TYR 20 10.420 2.603 -12.034 154 HA TYR 20 HA TYR 20 10.519 3.229 -14.810 155 1HB TYR 20 1HB TYR 20 8.580 2.125 -13.608 156 2HB TYR 20 2HB TYR 20 8.197 3.699 -12.923 157 HD1 TYR 20 HD1 TYR 20 8.736 2.041 -16.225 158 HD2 TYR 20 HD2 TYR 20 6.709 5.079 -14.041 159 HE1 TYR 20 HE1 TYR 20 7.400 2.577 -18.219 160 HE2 TYR 20 HE2 TYR 20 5.368 5.622 -16.029 161 HH TYR 20 HH TYR 20 5.323 5.365 -18.347 162 H ARG 21 H ARG 21 9.429 5.329 -15.629 163 HA ARG 21 HA ARG 21 10.821 7.506 -15.431 164 1HB ARG 21 1HB ARG 21 8.526 7.238 -16.547 165 2HB ARG 21 2HB ARG 21 7.855 7.842 -15.039 166 1HG ARG 21 1HG ARG 21 8.002 9.784 -16.216 167 2HG ARG 21 2HG ARG 21 9.583 9.786 -15.432 168 1HD ARG 21 1HD ARG 21 10.547 8.750 -17.459 169 2HD ARG 21 2HD ARG 21 8.969 8.863 -18.238 170 HE ARG 21 HE ARG 21 10.043 11.357 -17.235 171 1HH1 ARG 21 1HH1 ARG 21 9.724 9.199 -19.951 172 2HH1 ARG 21 2HH1 ARG 21 10.039 10.428 -21.129 173 1HH2 ARG 21 1HH2 ARG 21 10.460 12.982 -18.779 174 2HH2 ARG 21 2HH2 ARG 21 10.459 12.578 -20.463 175 H GLY 22 H GLY 22 8.620 6.482 -12.905 176 1HA GLY 22 1HA GLY 22 8.211 7.334 -10.791 177 2HA GLY 22 2HA GLY 22 9.168 8.748 -11.207 178 H TYR 23 H TYR 23 9.155 5.644 -9.699 179 HA TYR 23 HA TYR 23 12.029 5.902 -9.141 180 1HB TYR 23 1HB TYR 23 9.808 5.566 -7.142 181 2HB TYR 23 2HB TYR 23 11.493 5.246 -6.754 182 HD1 TYR 23 HD1 TYR 23 9.166 7.890 -7.918 183 HD2 TYR 23 HD2 TYR 23 12.936 7.015 -6.154 184 HE1 TYR 23 HE1 TYR 23 9.475 10.276 -7.419 185 HE2 TYR 23 HE2 TYR 23 13.257 9.400 -5.648 186 HH TYR 23 HH TYR 23 10.760 11.673 -5.835 187 H SER 24 H SER 24 12.777 3.997 -7.709 188 HA SER 24 HA SER 24 12.585 1.661 -9.278 189 1HB SER 24 1HB SER 24 14.134 0.688 -7.726 190 2HB SER 24 2HB SER 24 14.595 2.375 -7.947 191 HG SER 24 HG SER 24 14.126 2.768 -5.926 192 H LEU 25 H LEU 25 11.876 -0.414 -8.625 193 HA LEU 25 HA LEU 25 9.294 -0.609 -7.804 194 1HB LEU 25 1HB LEU 25 9.524 -2.869 -7.877 195 2HB LEU 25 2HB LEU 25 10.926 -2.367 -8.797 196 HG LEU 25 HG LEU 25 12.100 -2.523 -6.433 197 1HD1 LEU 25 1HD1 LEU 25 9.693 -3.202 -5.575 198 2HD1 LEU 25 2HD1 LEU 25 10.215 -4.799 -6.111 199 3HD1 LEU 25 3HD1 LEU 25 11.153 -3.926 -4.899 200 1HD2 LEU 25 1HD2 LEU 25 12.309 -3.857 -8.688 201 2HD2 LEU 25 2HD2 LEU 25 13.072 -4.441 -7.209 202 3HD2 LEU 25 3HD2 LEU 25 11.539 -5.132 -7.744 203 H GLY 26 H GLY 26 12.169 -0.987 -5.697 204 1HA GLY 26 1HA GLY 26 12.407 -0.654 -3.450 205 2HA GLY 26 2HA GLY 26 10.988 -1.679 -3.341 206 H ASN 27 H ASN 27 11.194 1.626 -4.647 207 HA ASN 27 HA ASN 27 10.239 2.950 -2.365 208 1HB ASN 27 1HB ASN 27 9.988 3.677 -5.287 209 2HB ASN 27 2HB ASN 27 9.558 4.758 -3.964 210 2HD2 ASN 27 2HD2 ASN 27 12.026 3.631 -5.961 211 1HD2 ASN 27 1HD2 ASN 27 13.356 4.398 -5.170 212 H TRP 28 H TRP 28 8.665 1.090 -4.790 213 HA TRP 28 HA TRP 28 5.990 1.985 -4.281 214 1HB TRP 28 1HB TRP 28 7.009 -0.493 -5.658 215 2HB TRP 28 2HB TRP 28 5.346 0.098 -5.692 216 HD1 TRP 28 HD1 TRP 28 8.798 0.803 -7.108 217 HE1 TRP 28 HE1 TRP 28 8.580 2.525 -9.008 218 HE3 TRP 28 HE3 TRP 28 3.894 2.015 -6.493 219 HZ2 TRP 28 HZ2 TRP 28 6.558 4.176 -10.120 220 HZ3 TRP 28 HZ3 TRP 28 2.864 3.664 -7.996 221 HH2 TRP 28 HH2 TRP 28 4.176 4.731 -9.779 222 H VAL 29 H VAL 29 8.049 -0.669 -3.193 223 HA VAL 29 HA VAL 29 6.032 -2.088 -1.823 224 HB VAL 29 HB VAL 29 9.031 -2.042 -1.481 225 1HG1 VAL 29 1HG1 VAL 29 7.934 -2.792 0.583 226 2HG1 VAL 29 2HG1 VAL 29 7.066 -4.022 -0.336 227 3HG1 VAL 29 3HG1 VAL 29 8.823 -4.095 -0.207 228 1HG2 VAL 29 1HG2 VAL 29 7.252 -3.285 -3.377 229 2HG2 VAL 29 2HG2 VAL 29 9.013 -3.204 -3.373 230 3HG2 VAL 29 3HG2 VAL 29 8.188 -4.497 -2.501 231 H CYS 30 H CYS 30 8.514 0.189 -0.736 232 HA CYS 30 HA CYS 30 7.835 0.193 1.971 233 1HB CYS 30 1HB CYS 30 9.921 1.127 0.945 234 2HB CYS 30 2HB CYS 30 8.973 2.502 0.391 235 H ALA 31 H ALA 31 6.759 2.346 -0.666 236 HA ALA 31 HA ALA 31 5.153 4.019 0.919 237 1HB ALA 31 1HB ALA 31 5.260 3.389 -1.999 238 2HB ALA 31 2HB ALA 31 3.961 4.393 -1.356 239 3HB ALA 31 3HB ALA 31 5.641 4.893 -1.163 240 H ALA 32 H ALA 32 4.345 1.111 -0.950 241 HA ALA 32 HA ALA 32 1.576 1.168 -0.347 242 1HB ALA 32 1HB ALA 32 1.898 -0.138 -2.169 243 2HB ALA 32 2HB ALA 32 3.449 -0.751 -1.595 244 3HB ALA 32 3HB ALA 32 1.947 -1.409 -0.946 245 H LYS 33 H LYS 33 4.323 -0.565 1.097 246 HA LYS 33 HA LYS 33 3.056 -2.238 2.835 247 1HB LYS 33 1HB LYS 33 5.527 -2.045 2.450 248 2HB LYS 33 2HB LYS 33 5.525 -0.640 3.507 249 1HG LYS 33 1HG LYS 33 4.970 -1.924 5.394 250 2HG LYS 33 2HG LYS 33 4.505 -3.313 4.409 251 1HD LYS 33 1HD LYS 33 6.887 -3.471 3.657 252 2HD LYS 33 2HD LYS 33 7.282 -2.221 4.838 253 1HE LYS 33 1HE LYS 33 6.771 -3.604 6.648 254 2HE LYS 33 2HE LYS 33 5.839 -4.720 5.651 255 1HZ LYS 33 1HZ LYS 33 8.499 -4.595 4.717 256 2HZ LYS 33 2HZ LYS 33 8.505 -4.928 6.376 257 3HZ LYS 33 3HZ LYS 33 7.647 -5.928 5.315 258 H PHE 34 H PHE 34 4.135 1.070 3.631 259 HA PHE 34 HA PHE 34 2.733 0.993 6.101 260 1HB PHE 34 1HB PHE 34 4.429 2.906 4.725 261 2HB PHE 34 2HB PHE 34 3.309 3.588 5.887 262 HD1 PHE 34 HD1 PHE 34 3.317 2.485 8.235 263 HD2 PHE 34 HD2 PHE 34 6.477 2.094 5.410 264 HE1 PHE 34 HE1 PHE 34 4.861 1.877 10.052 265 HE2 PHE 34 HE2 PHE 34 8.026 1.485 7.221 266 HZ PHE 34 HZ PHE 34 7.219 1.375 9.546 267 H GLU 35 H GLU 35 1.835 1.876 2.917 268 HA GLU 35 HA GLU 35 -0.175 3.746 3.551 269 1HB GLU 35 1HB GLU 35 0.959 2.610 1.249 270 2HB GLU 35 2HB GLU 35 -0.749 2.205 1.178 271 1HG GLU 35 1HG GLU 35 0.562 4.887 1.154 272 2HG GLU 35 2HG GLU 35 -0.644 4.219 0.055 273 H SER 36 H SER 36 -0.398 0.313 2.661 274 HA SER 36 HA SER 36 -2.956 0.175 4.126 275 1HB SER 36 1HB SER 36 -3.631 -1.486 2.269 276 2HB SER 36 2HB SER 36 -3.623 0.229 1.860 277 HG SER 36 HG SER 36 -1.195 -0.860 1.443 278 H ASN 37 H ASN 37 0.043 -0.858 4.340 279 HA ASN 37 HA ASN 37 1.086 -2.674 5.259 280 1HB ASN 37 1HB ASN 37 -0.985 -2.336 6.846 281 2HB ASN 37 2HB ASN 37 -1.561 -3.818 6.089 282 2HD2 ASN 37 2HD2 ASN 37 1.528 -2.588 7.340 283 1HD2 ASN 37 1HD2 ASN 37 1.900 -3.992 8.276 284 H PHE 38 H PHE 38 0.070 -2.670 2.559 285 HA PHE 38 HA PHE 38 0.096 -3.938 0.736 286 1HB PHE 38 1HB PHE 38 0.943 -6.071 2.692 287 2HB PHE 38 2HB PHE 38 0.810 -6.351 0.958 288 HD1 PHE 38 HD1 PHE 38 1.804 -3.720 -0.034 289 HD2 PHE 38 HD2 PHE 38 3.252 -6.282 3.039 290 HE1 PHE 38 HE1 PHE 38 4.063 -2.815 -0.359 291 HE2 PHE 38 HE2 PHE 38 5.518 -5.377 2.722 292 HZ PHE 38 HZ PHE 38 5.927 -3.649 1.018 293 H ASN 39 H ASN 39 -2.306 -3.601 2.474 294 HA ASN 39 HA ASN 39 -3.845 -6.002 2.052 295 1HB ASN 39 1HB ASN 39 -4.266 -4.494 3.981 296 2HB ASN 39 2HB ASN 39 -4.790 -3.242 2.859 297 2HD2 ASN 39 2HD2 ASN 39 -6.676 -3.542 4.412 298 1HD2 ASN 39 1HD2 ASN 39 -7.906 -4.645 3.906 299 H THR 40 H THR 40 -4.366 -6.534 0.052 300 HA THR 40 HA THR 40 -4.550 -4.686 -2.095 301 HB THR 40 HB THR 40 -4.783 -6.516 -3.459 302 HG1 THR 40 HG1 THR 40 -6.502 -7.717 -3.179 303 1HG2 THR 40 1HG2 THR 40 -3.843 -7.755 -0.877 304 2HG2 THR 40 2HG2 THR 40 -3.689 -8.504 -2.466 305 3HG2 THR 40 3HG2 THR 40 -2.840 -7.000 -2.114 306 H GLN 41 H GLN 41 -6.731 -6.118 0.132 307 HA GLN 41 HA GLN 41 -9.103 -5.162 -1.244 308 1HB GLN 41 1HB GLN 41 -8.481 -7.026 0.972 309 2HB GLN 41 2HB GLN 41 -10.018 -6.199 1.053 310 1HG GLN 41 1HG GLN 41 -10.859 -7.734 -0.302 311 2HG GLN 41 2HG GLN 41 -9.801 -7.128 -1.574 312 2HE2 GLN 41 2HE2 GLN 41 -10.783 -9.865 -0.755 313 1HE2 GLN 41 1HE2 GLN 41 -9.348 -10.824 -0.683 314 H ALA 42 H ALA 42 -6.874 -3.648 0.454 315 HA ALA 42 HA ALA 42 -8.186 -2.420 2.607 316 1HB ALA 42 1HB ALA 42 -6.281 -1.256 2.892 317 2HB ALA 42 2HB ALA 42 -5.652 -2.419 1.724 318 3HB ALA 42 3HB ALA 42 -6.162 -0.818 1.187 319 H THR 43 H THR 43 -9.843 -1.104 2.626 320 HA THR 43 HA THR 43 -10.125 0.942 0.537 321 HB THR 43 HB THR 43 -12.482 0.585 0.323 322 HG1 THR 43 HG1 THR 43 -13.534 -1.068 1.548 323 1HG2 THR 43 1HG2 THR 43 -10.736 -1.802 0.008 324 2HG2 THR 43 2HG2 THR 43 -12.473 -2.016 -0.205 325 3HG2 THR 43 3HG2 THR 43 -11.597 -0.863 -1.211 326 H ASN 44 H ASN 44 -10.204 2.908 1.547 327 HA ASN 44 HA ASN 44 -11.513 3.057 4.170 328 1HB ASN 44 1HB ASN 44 -8.697 3.359 3.668 329 2HB ASN 44 2HB ASN 44 -9.363 4.877 4.262 330 2HD2 ASN 44 2HD2 ASN 44 -7.695 2.486 5.344 331 1HD2 ASN 44 1HD2 ASN 44 -8.390 2.218 6.903 332 H ARG 45 H ARG 45 -13.083 4.486 4.057 333 HA ARG 45 HA ARG 45 -13.199 6.468 1.984 334 1HB ARG 45 1HB ARG 45 -14.984 5.734 4.289 335 2HB ARG 45 2HB ARG 45 -15.293 7.174 3.328 336 1HG ARG 45 1HG ARG 45 -15.892 5.979 1.473 337 2HG ARG 45 2HG ARG 45 -14.909 4.583 1.919 338 1HD ARG 45 1HD ARG 45 -16.513 3.725 3.307 339 2HD ARG 45 2HD ARG 45 -17.200 5.307 3.670 340 HE ARG 45 HE ARG 45 -18.484 5.178 1.726 341 1HH1 ARG 45 1HH1 ARG 45 -16.399 2.408 2.070 342 2HH1 ARG 45 2HH1 ARG 45 -17.237 1.469 0.881 343 1HH2 ARG 45 1HH2 ARG 45 -19.593 3.948 0.160 344 2HH2 ARG 45 2HH2 ARG 45 -19.052 2.344 -0.206 345 H ASN 46 H ASN 46 -13.149 8.700 2.197 346 HA ASN 46 HA ASN 46 -11.821 9.677 4.637 347 1HB ASN 46 1HB ASN 46 -11.783 11.115 1.999 348 2HB ASN 46 2HB ASN 46 -10.664 11.263 3.350 349 2HD2 ASN 46 2HD2 ASN 46 -9.659 9.005 3.907 350 1HD2 ASN 46 1HD2 ASN 46 -8.985 8.175 2.549 351 H THR 47 H THR 47 -12.151 12.191 4.791 352 HA THR 47 HA THR 47 -14.999 12.565 5.159 353 HB THR 47 HB THR 47 -14.339 14.717 6.229 354 HG1 THR 47 HG1 THR 47 -12.429 15.428 5.657 355 1HG2 THR 47 1HG2 THR 47 -14.217 12.229 7.256 356 2HG2 THR 47 2HG2 THR 47 -12.553 12.752 7.522 357 3HG2 THR 47 3HG2 THR 47 -13.889 13.686 8.196 358 H ASP 48 H ASP 48 -12.516 13.603 2.967 359 HA ASP 48 HA ASP 48 -13.839 15.904 1.954 360 1HB ASP 48 1HB ASP 48 -12.262 15.593 0.000 361 2HB ASP 48 2HB ASP 48 -11.498 15.750 1.578 362 H GLY 49 H GLY 49 -14.455 12.600 1.623 363 1HA GLY 49 1HA GLY 49 -16.192 13.152 -0.703 364 2HA GLY 49 2HA GLY 49 -16.593 12.024 0.582 365 H SER 50 H SER 50 -13.364 12.151 -0.714 366 HA SER 50 HA SER 50 -13.799 10.050 -2.629 367 1HB SER 50 1HB SER 50 -11.129 10.098 -2.458 368 2HB SER 50 2HB SER 50 -12.036 11.305 -3.371 369 HG SER 50 HG SER 50 -10.818 12.537 -2.101 370 H THR 51 H THR 51 -11.730 8.350 -2.381 371 HA THR 51 HA THR 51 -11.548 7.230 0.263 372 HB THR 51 HB THR 51 -13.025 5.652 -1.851 373 HG1 THR 51 HG1 THR 51 -14.798 5.901 -0.329 374 1HG2 THR 51 1HG2 THR 51 -11.568 4.403 -0.188 375 2HG2 THR 51 2HG2 THR 51 -12.674 4.973 1.061 376 3HG2 THR 51 3HG2 THR 51 -13.269 3.938 -0.237 377 H ASP 52 H ASP 52 -10.093 5.354 0.329 378 HA ASP 52 HA ASP 52 -8.298 5.282 -2.001 379 1HB ASP 52 1HB ASP 52 -7.521 4.308 0.725 380 2HB ASP 52 2HB ASP 52 -6.497 4.932 -0.563 381 H TYR 53 H TYR 53 -9.115 3.662 -3.216 382 HA TYR 53 HA TYR 53 -9.685 1.124 -1.882 383 1HB TYR 53 1HB TYR 53 -10.336 2.027 -4.689 384 2HB TYR 53 2HB TYR 53 -10.743 0.459 -4.003 385 HD1 TYR 53 HD1 TYR 53 -12.178 0.513 -1.820 386 HD2 TYR 53 HD2 TYR 53 -11.888 3.744 -4.572 387 HE1 TYR 53 HE1 TYR 53 -14.311 1.407 -0.985 388 HE2 TYR 53 HE2 TYR 53 -14.021 4.646 -3.745 389 HH TYR 53 HH TYR 53 -15.543 4.520 -2.053 390 H GLY 54 H GLY 54 -7.403 0.725 -1.582 391 1HA GLY 54 1HA GLY 54 -5.824 0.205 -3.963 392 2HA GLY 54 2HA GLY 54 -6.401 -1.252 -3.190 393 H ILE 55 H ILE 55 -4.054 -1.569 -3.309 394 HA ILE 55 HA ILE 55 -2.892 -1.267 -0.705 395 HB ILE 55 HB ILE 55 -2.494 -3.249 -2.235 396 1HG1 ILE 55 1HG1 ILE 55 -0.032 -1.740 -1.317 397 2HG1 ILE 55 2HG1 ILE 55 -1.025 -2.795 -0.316 398 1HG2 ILE 55 1HG2 ILE 55 -2.232 -1.918 -4.301 399 2HG2 ILE 55 2HG2 ILE 55 -0.685 -1.326 -3.697 400 3HG2 ILE 55 3HG2 ILE 55 -0.899 -3.043 -4.038 401 1HD1 ILE 55 1HD1 ILE 55 -0.161 -4.183 -2.674 402 2HD1 ILE 55 2HD1 ILE 55 1.216 -3.488 -1.819 403 3HD1 ILE 55 3HD1 ILE 55 0.111 -4.573 -0.975 404 H LEU 56 H LEU 56 -2.997 0.492 -3.605 405 HA LEU 56 HA LEU 56 -0.806 2.246 -2.734 406 1HB LEU 56 1HB LEU 56 -1.312 1.047 -5.286 407 2HB LEU 56 2HB LEU 56 -1.507 2.781 -5.442 408 HG LEU 56 HG LEU 56 0.734 2.505 -5.981 409 1HD1 LEU 56 1HD1 LEU 56 0.208 3.887 -3.743 410 2HD1 LEU 56 2HD1 LEU 56 1.348 2.705 -3.098 411 3HD1 LEU 56 3HD1 LEU 56 1.821 3.746 -4.442 412 1HD2 LEU 56 1HD2 LEU 56 0.578 0.035 -5.182 413 2HD2 LEU 56 2HD2 LEU 56 2.147 0.838 -5.232 414 3HD2 LEU 56 3HD2 LEU 56 1.298 0.655 -3.696 415 H GLN 57 H GLN 57 -3.976 1.942 -2.507 416 HA GLN 57 HA GLN 57 -5.673 3.346 -2.045 417 1HB GLN 57 1HB GLN 57 -3.524 5.447 -2.304 418 2HB GLN 57 2HB GLN 57 -5.172 5.793 -1.800 419 1HG GLN 57 1HG GLN 57 -4.640 3.895 -0.038 420 2HG GLN 57 2HG GLN 57 -2.986 4.421 -0.345 421 2HE2 GLN 57 2HE2 GLN 57 -5.051 4.700 1.919 422 1HE2 GLN 57 1HE2 GLN 57 -4.937 6.369 2.351 423 H ILE 58 H ILE 58 -6.437 2.541 -4.251 424 HA ILE 58 HA ILE 58 -6.172 4.480 -6.385 425 HB ILE 58 HB ILE 58 -8.001 2.090 -6.403 426 1HG1 ILE 58 1HG1 ILE 58 -5.909 1.153 -5.745 427 2HG1 ILE 58 2HG1 ILE 58 -6.052 0.878 -7.478 428 1HG2 ILE 58 1HG2 ILE 58 -6.678 3.794 -8.485 429 2HG2 ILE 58 2HG2 ILE 58 -7.289 2.184 -8.862 430 3HG2 ILE 58 3HG2 ILE 58 -8.390 3.431 -8.274 431 1HD1 ILE 58 1HD1 ILE 58 -4.742 3.311 -7.278 432 2HD1 ILE 58 2HD1 ILE 58 -4.043 2.322 -5.996 433 3HD1 ILE 58 3HD1 ILE 58 -4.023 1.746 -7.663 434 H ASN 59 H ASN 59 -7.208 6.324 -5.676 435 HA ASN 59 HA ASN 59 -9.725 6.357 -4.427 436 1HB ASN 59 1HB ASN 59 -8.180 8.252 -4.311 437 2HB ASN 59 2HB ASN 59 -8.333 8.503 -6.048 438 2HD2 ASN 59 2HD2 ASN 59 -11.065 7.572 -4.120 439 1HD2 ASN 59 1HD2 ASN 59 -11.887 9.089 -4.187 440 H SER 60 H SER 60 -11.304 5.226 -5.458 441 HA SER 60 HA SER 60 -11.729 5.153 -8.226 442 1HB SER 60 1HB SER 60 -13.674 3.964 -7.759 443 2HB SER 60 2HB SER 60 -12.713 3.680 -6.307 444 HG SER 60 HG SER 60 -14.880 5.463 -6.664 445 H ARG 61 H ARG 61 -12.038 7.787 -6.220 446 HA ARG 61 HA ARG 61 -14.327 8.957 -7.604 447 1HB ARG 61 1HB ARG 61 -13.784 9.196 -5.079 448 2HB ARG 61 2HB ARG 61 -12.600 10.387 -5.601 449 1HG ARG 61 1HG ARG 61 -15.175 10.855 -6.824 450 2HG ARG 61 2HG ARG 61 -15.284 10.823 -5.063 451 1HD ARG 61 1HD ARG 61 -13.059 12.315 -5.389 452 2HD ARG 61 2HD ARG 61 -13.945 12.746 -6.850 453 HE ARG 61 HE ARG 61 -15.197 12.961 -4.197 454 1HH1 ARG 61 1HH1 ARG 61 -14.216 14.373 -7.226 455 2HH1 ARG 61 2HH1 ARG 61 -15.052 15.864 -6.950 456 1HH2 ARG 61 1HH2 ARG 61 -16.301 14.921 -3.824 457 2HH2 ARG 61 2HH2 ARG 61 -16.237 16.176 -5.016 458 H TRP 62 H TRP 62 -10.854 9.576 -7.171 459 HA TRP 62 HA TRP 62 -10.938 11.620 -9.253 460 1HB TRP 62 1HB TRP 62 -9.288 11.120 -6.965 461 2HB TRP 62 2HB TRP 62 -8.272 11.143 -8.402 462 HD1 TRP 62 HD1 TRP 62 -11.034 13.389 -6.837 463 HE1 TRP 62 HE1 TRP 62 -10.391 15.843 -7.272 464 HE3 TRP 62 HE3 TRP 62 -6.777 12.640 -9.567 465 HZ2 TRP 62 HZ2 TRP 62 -8.348 17.271 -8.597 466 HZ3 TRP 62 HZ3 TRP 62 -5.537 14.603 -10.381 467 HH2 TRP 62 HH2 TRP 62 -6.308 16.870 -9.906 468 H TRP 63 H TRP 63 -10.425 8.313 -8.962 469 HA TRP 63 HA TRP 63 -9.315 8.194 -11.670 470 1HB TRP 63 1HB TRP 63 -8.308 6.428 -9.424 471 2HB TRP 63 2HB TRP 63 -7.736 6.457 -11.087 472 HD1 TRP 63 HD1 TRP 63 -6.740 7.644 -7.801 473 HE1 TRP 63 HE1 TRP 63 -5.018 9.553 -7.992 474 HE3 TRP 63 HE3 TRP 63 -7.377 8.794 -12.715 475 HZ2 TRP 63 HZ2 TRP 63 -4.060 11.322 -9.989 476 HZ3 TRP 63 HZ3 TRP 63 -6.062 10.600 -13.699 477 HH2 TRP 63 HH2 TRP 63 -4.419 11.845 -12.369 478 H CYS 64 H CYS 64 -9.699 6.166 -12.725 479 HA CYS 64 HA CYS 64 -11.145 4.603 -13.485 480 1HB CYS 64 1HB CYS 64 -11.054 2.641 -12.262 481 2HB CYS 64 2HB CYS 64 -9.708 3.546 -11.584 482 H ASN 65 H ASN 65 -13.216 3.824 -13.690 483 HA ASN 65 HA ASN 65 -15.226 5.409 -12.271 484 1HB ASN 65 1HB ASN 65 -15.035 5.034 -14.881 485 2HB ASN 65 2HB ASN 65 -15.910 3.551 -14.512 486 2HD2 ASN 65 2HD2 ASN 65 -16.364 6.509 -15.615 487 1HD2 ASN 65 1HD2 ASN 65 -17.946 6.852 -15.011 488 H ASP 66 H ASP 66 -15.772 4.477 -10.393 489 HA ASP 66 HA ASP 66 -16.032 1.581 -10.209 490 1HB ASP 66 1HB ASP 66 -16.246 1.919 -7.819 491 2HB ASP 66 2HB ASP 66 -14.876 2.852 -8.414 492 H GLY 67 H GLY 67 -18.012 4.386 -10.532 493 1HA GLY 67 1HA GLY 67 -20.370 2.732 -10.774 494 2HA GLY 67 2HA GLY 67 -20.276 4.465 -11.053 495 H ARG 68 H ARG 68 -18.936 3.457 -8.093 496 HA ARG 68 HA ARG 68 -21.401 3.655 -6.587 497 1HB ARG 68 1HB ARG 68 -18.546 3.421 -5.614 498 2HB ARG 68 2HB ARG 68 -19.989 3.249 -4.625 499 1HG ARG 68 1HG ARG 68 -20.500 1.394 -6.498 500 2HG ARG 68 2HG ARG 68 -18.735 1.353 -6.498 501 1HD ARG 68 1HD ARG 68 -18.668 0.847 -4.174 502 2HD ARG 68 2HD ARG 68 -20.391 1.174 -3.990 503 HE ARG 68 HE ARG 68 -19.324 -1.108 -5.526 504 1HH1 ARG 68 1HH1 ARG 68 -21.652 0.309 -3.354 505 2HH1 ARG 68 2HH1 ARG 68 -22.576 -1.148 -3.189 506 1HH2 ARG 68 1HH2 ARG 68 -20.534 -3.029 -5.314 507 2HH2 ARG 68 2HH2 ARG 68 -21.940 -3.045 -4.303 508 H THR 69 H THR 69 -19.577 5.863 -8.056 509 HA THR 69 HA THR 69 -19.877 7.877 -5.925 510 HB THR 69 HB THR 69 -18.184 8.411 -8.326 511 HG1 THR 69 HG1 THR 69 -16.736 7.324 -6.294 512 1HG2 THR 69 1HG2 THR 69 -17.971 9.119 -5.398 513 2HG2 THR 69 2HG2 THR 69 -16.836 9.628 -6.648 514 3HG2 THR 69 3HG2 THR 69 -18.509 10.180 -6.700 515 HA PRO 70 HA PRO 70 -23.186 9.861 -8.092 516 1HB PRO 70 1HB PRO 70 -21.613 12.335 -7.502 517 2HB PRO 70 2HB PRO 70 -23.333 12.012 -7.255 518 1HG PRO 70 1HG PRO 70 -21.639 11.948 -5.206 519 2HG PRO 70 2HG PRO 70 -22.959 10.770 -5.331 520 1HD PRO 70 1HD PRO 70 -20.043 10.407 -5.800 521 2HD PRO 70 2HD PRO 70 -21.245 9.249 -5.195 522 H GLY 71 H GLY 71 -19.839 10.375 -8.922 523 1HA GLY 71 1HA GLY 71 -19.826 12.029 -11.060 524 2HA GLY 71 2HA GLY 71 -20.546 10.568 -11.719 525 H SER 72 H SER 72 -17.754 11.565 -9.755 526 HA SER 72 HA SER 72 -15.598 10.806 -9.664 527 1HB SER 72 1HB SER 72 -16.061 8.544 -9.439 528 2HB SER 72 2HB SER 72 -16.925 8.459 -10.974 529 HG SER 72 HG SER 72 -14.471 7.743 -10.550 530 H ARG 73 H ARG 73 -13.722 11.060 -10.917 531 HA ARG 73 HA ARG 73 -14.098 12.527 -13.329 532 1HB ARG 73 1HB ARG 73 -11.511 11.471 -12.183 533 2HB ARG 73 2HB ARG 73 -11.694 12.783 -13.339 534 1HG ARG 73 1HG ARG 73 -13.259 13.579 -11.211 535 2HG ARG 73 2HG ARG 73 -11.864 12.815 -10.445 536 1HD ARG 73 1HD ARG 73 -10.394 14.221 -11.888 537 2HD ARG 73 2HD ARG 73 -11.836 15.058 -12.459 538 HE ARG 73 HE ARG 73 -11.283 15.007 -9.585 539 1HH1 ARG 73 1HH1 ARG 73 -11.466 16.776 -12.582 540 2HH1 ARG 73 2HH1 ARG 73 -11.432 18.329 -11.816 541 1HH2 ARG 73 1HH2 ARG 73 -11.238 17.047 -8.569 542 2HH2 ARG 73 2HH2 ARG 73 -11.302 18.483 -9.535 543 H ASN 74 H ASN 74 -12.753 9.323 -12.603 544 HA ASN 74 HA ASN 74 -12.412 7.472 -13.908 545 1HB ASN 74 1HB ASN 74 -14.785 8.071 -14.678 546 2HB ASN 74 2HB ASN 74 -14.029 8.835 -16.073 547 2HD2 ASN 74 2HD2 ASN 74 -15.090 7.365 -17.436 548 1HD2 ASN 74 1HD2 ASN 74 -14.539 5.736 -17.605 549 H LEU 75 H LEU 75 -10.701 9.778 -13.908 550 HA LEU 75 HA LEU 75 -9.646 10.548 -16.354 551 1HB LEU 75 1HB LEU 75 -8.783 10.294 -13.550 552 2HB LEU 75 2HB LEU 75 -7.492 10.407 -14.723 553 HG LEU 75 HG LEU 75 -9.757 12.392 -14.348 554 1HD1 LEU 75 1HD1 LEU 75 -8.117 12.332 -12.486 555 2HD1 LEU 75 2HD1 LEU 75 -6.844 12.719 -13.643 556 3HD1 LEU 75 3HD1 LEU 75 -8.150 13.867 -13.353 557 1HD2 LEU 75 1HD2 LEU 75 -7.462 12.264 -16.269 558 2HD2 LEU 75 2HD2 LEU 75 -9.158 12.636 -16.575 559 3HD2 LEU 75 3HD2 LEU 75 -8.128 13.820 -15.773 560 H CYS 76 H CYS 76 -8.467 8.238 -14.123 561 HA CYS 76 HA CYS 76 -6.489 7.000 -15.605 562 1HB CYS 76 1HB CYS 76 -7.613 6.800 -13.119 563 2HB CYS 76 2HB CYS 76 -7.992 5.243 -13.843 564 H ASN 77 H ASN 77 -9.932 6.457 -15.411 565 HA ASN 77 HA ASN 77 -11.415 5.219 -16.630 566 1HB ASN 77 1HB ASN 77 -10.244 6.649 -18.438 567 2HB ASN 77 2HB ASN 77 -9.382 5.172 -18.855 568 2HD2 ASN 77 2HD2 ASN 77 -10.231 4.508 -20.700 569 1HD2 ASN 77 1HD2 ASN 77 -11.917 4.288 -21.011 570 H ILE 78 H ILE 78 -10.123 3.752 -14.875 571 HA ILE 78 HA ILE 78 -9.447 1.292 -16.316 572 HB ILE 78 HB ILE 78 -7.626 0.902 -15.064 573 1HG1 ILE 78 1HG1 ILE 78 -9.369 1.824 -12.845 574 2HG1 ILE 78 2HG1 ILE 78 -8.342 0.400 -12.949 575 1HG2 ILE 78 1HG2 ILE 78 -7.625 3.356 -15.883 576 2HG2 ILE 78 2HG2 ILE 78 -7.746 3.748 -14.169 577 3HG2 ILE 78 3HG2 ILE 78 -6.370 2.818 -14.766 578 1HD1 ILE 78 1HD1 ILE 78 -6.379 1.897 -12.591 579 2HD1 ILE 78 2HD1 ILE 78 -7.515 3.211 -12.289 580 3HD1 ILE 78 3HD1 ILE 78 -7.496 1.801 -11.230 581 HA PRO 79 HA PRO 79 -12.552 -0.670 -13.826 582 1HB PRO 79 1HB PRO 79 -11.676 -3.215 -13.711 583 2HB PRO 79 2HB PRO 79 -12.252 -2.506 -15.223 584 1HG PRO 79 1HG PRO 79 -9.452 -2.962 -14.289 585 2HG PRO 79 2HG PRO 79 -10.141 -3.157 -15.911 586 1HD PRO 79 1HD PRO 79 -8.677 -0.969 -15.081 587 2HD PRO 79 2HD PRO 79 -9.832 -0.956 -16.428 588 H CYS 80 H CYS 80 -12.609 -0.014 -11.731 589 HA CYS 80 HA CYS 80 -10.428 -0.054 -9.979 590 1HB CYS 80 1HB CYS 80 -13.243 -0.082 -8.962 591 2HB CYS 80 2HB CYS 80 -11.863 0.857 -8.402 592 H SER 81 H SER 81 -13.379 -2.074 -9.752 593 HA SER 81 HA SER 81 -12.537 -3.752 -7.737 594 1HB SER 81 1HB SER 81 -14.151 -5.407 -8.647 595 2HB SER 81 2HB SER 81 -14.823 -3.779 -8.562 596 HG SER 81 HG SER 81 -15.062 -3.806 -10.643 597 H ALA 82 H ALA 82 -11.522 -3.740 -11.059 598 HA ALA 82 HA ALA 82 -10.534 -6.391 -11.203 599 1HB ALA 82 1HB ALA 82 -10.980 -4.896 -13.154 600 2HB ALA 82 2HB ALA 82 -9.421 -5.721 -13.201 601 3HB ALA 82 3HB ALA 82 -9.505 -4.019 -12.745 602 H LEU 83 H LEU 83 -9.550 -3.945 -9.243 603 HA LEU 83 HA LEU 83 -6.745 -4.837 -9.221 604 1HB LEU 83 1HB LEU 83 -6.078 -2.767 -8.488 605 2HB LEU 83 2HB LEU 83 -7.440 -2.336 -9.501 606 HG LEU 83 HG LEU 83 -8.672 -2.604 -7.093 607 1HD1 LEU 83 1HD1 LEU 83 -5.890 -2.480 -6.508 608 2HD1 LEU 83 2HD1 LEU 83 -6.648 -0.979 -5.974 609 3HD1 LEU 83 3HD1 LEU 83 -7.255 -2.529 -5.392 610 1HD2 LEU 83 1HD2 LEU 83 -8.834 -0.740 -8.714 611 2HD2 LEU 83 2HD2 LEU 83 -8.732 -0.196 -7.039 612 3HD2 LEU 83 3HD2 LEU 83 -7.316 -0.101 -8.086 613 H LEU 84 H LEU 84 -9.680 -5.022 -7.559 614 HA LEU 84 HA LEU 84 -8.385 -5.607 -5.001 615 1HB LEU 84 1HB LEU 84 -11.342 -5.601 -5.358 616 2HB LEU 84 2HB LEU 84 -10.383 -5.111 -3.973 617 HG LEU 84 HG LEU 84 -10.257 -3.509 -6.490 618 1HD1 LEU 84 1HD1 LEU 84 -12.657 -3.991 -5.094 619 2HD1 LEU 84 2HD1 LEU 84 -12.133 -2.360 -4.678 620 3HD1 LEU 84 3HD1 LEU 84 -12.353 -2.811 -6.368 621 1HD2 LEU 84 1HD2 LEU 84 -8.959 -3.329 -4.108 622 2HD2 LEU 84 2HD2 LEU 84 -9.220 -1.984 -5.218 623 3HD2 LEU 84 3HD2 LEU 84 -10.314 -2.228 -3.855 624 H SER 85 H SER 85 -8.014 -7.445 -7.076 625 HA SER 85 HA SER 85 -9.451 -9.752 -5.977 626 1HB SER 85 1HB SER 85 -9.619 -10.778 -8.180 627 2HB SER 85 2HB SER 85 -10.365 -9.181 -8.230 628 HG SER 85 HG SER 85 -8.410 -10.104 -9.745 629 H SER 86 H SER 86 -7.026 -8.721 -5.223 630 HA SER 86 HA SER 86 -4.969 -9.441 -4.541 631 1HB SER 86 1HB SER 86 -5.645 -11.989 -6.045 632 2HB SER 86 2HB SER 86 -4.306 -11.781 -4.915 633 HG SER 86 HG SER 86 -5.698 -11.707 -3.253 634 H ASP 87 H ASP 87 -5.716 -8.154 -7.059 635 HA ASP 87 HA ASP 87 -3.304 -8.713 -8.642 636 1HB ASP 87 1HB ASP 87 -5.554 -9.366 -9.597 637 2HB ASP 87 2HB ASP 87 -5.940 -7.652 -9.633 638 H ILE 88 H ILE 88 -1.892 -7.058 -8.509 639 HA ILE 88 HA ILE 88 -2.839 -4.416 -7.761 640 HB ILE 88 HB ILE 88 -0.235 -3.976 -8.122 641 1HG1 ILE 88 1HG1 ILE 88 -0.203 -6.842 -7.211 642 2HG1 ILE 88 2HG1 ILE 88 -0.044 -6.427 -8.914 643 1HG2 ILE 88 1HG2 ILE 88 -1.914 -4.759 -5.893 644 2HG2 ILE 88 2HG2 ILE 88 -0.215 -5.156 -5.633 645 3HG2 ILE 88 3HG2 ILE 88 -0.686 -3.496 -6.001 646 1HD1 ILE 88 1HD1 ILE 88 1.741 -4.992 -7.062 647 2HD1 ILE 88 2HD1 ILE 88 2.034 -6.720 -7.258 648 3HD1 ILE 88 3HD1 ILE 88 2.056 -5.657 -8.665 649 H THR 89 H THR 89 -2.472 -6.078 -10.616 650 HA THR 89 HA THR 89 -1.190 -4.422 -12.376 651 HB THR 89 HB THR 89 -3.809 -5.739 -13.075 652 HG1 THR 89 HG1 THR 89 -2.107 -7.506 -13.608 653 1HG2 THR 89 1HG2 THR 89 -1.963 -4.316 -14.583 654 2HG2 THR 89 2HG2 THR 89 -1.583 -6.006 -14.916 655 3HG2 THR 89 3HG2 THR 89 -3.213 -5.396 -15.202 656 H ALA 90 H ALA 90 -4.692 -4.257 -11.641 657 HA ALA 90 HA ALA 90 -5.152 -1.966 -13.131 658 1HB ALA 90 1HB ALA 90 -6.661 -3.694 -11.439 659 2HB ALA 90 2HB ALA 90 -7.066 -2.014 -11.088 660 3HB ALA 90 3HB ALA 90 -7.220 -2.633 -12.732 661 H SER 91 H SER 91 -4.542 -2.352 -9.651 662 HA SER 91 HA SER 91 -4.831 0.368 -8.961 663 1HB SER 91 1HB SER 91 -2.983 -0.698 -7.166 664 2HB SER 91 2HB SER 91 -4.734 -0.653 -6.963 665 HG SER 91 HG SER 91 -3.467 -2.724 -8.403 666 H VAL 92 H VAL 92 -2.130 -1.482 -10.121 667 HA VAL 92 HA VAL 92 -0.255 0.635 -9.659 668 HB VAL 92 HB VAL 92 0.045 -1.891 -11.278 669 1HG1 VAL 92 1HG1 VAL 92 1.991 0.374 -10.822 670 2HG1 VAL 92 2HG1 VAL 92 2.484 -1.231 -11.359 671 3HG1 VAL 92 3HG1 VAL 92 1.411 -0.257 -12.364 672 1HG2 VAL 92 1HG2 VAL 92 0.588 -1.091 -8.508 673 2HG2 VAL 92 2HG2 VAL 92 0.351 -2.696 -9.200 674 3HG2 VAL 92 3HG2 VAL 92 1.929 -1.916 -9.304 675 H ASN 93 H ASN 93 -1.795 -0.707 -12.581 676 HA ASN 93 HA ASN 93 -0.683 0.847 -14.456 677 1HB ASN 93 1HB ASN 93 -2.141 -0.263 -15.685 678 2HB ASN 93 2HB ASN 93 -2.960 -0.754 -14.225 679 2HD2 ASN 93 2HD2 ASN 93 -4.924 0.050 -13.773 680 1HD2 ASN 93 1HD2 ASN 93 -5.736 1.242 -14.724 681 H CYS 94 H CYS 94 -3.181 1.687 -12.182 682 HA CYS 94 HA CYS 94 -3.766 4.237 -13.274 683 1HB CYS 94 1HB CYS 94 -5.039 2.755 -11.474 684 2HB CYS 94 2HB CYS 94 -4.105 3.744 -10.354 685 H ALA 95 H ALA 95 -1.681 3.179 -10.574 686 HA ALA 95 HA ALA 95 -0.748 5.821 -10.025 687 1HB ALA 95 1HB ALA 95 -0.317 4.644 -8.193 688 2HB ALA 95 2HB ALA 95 1.214 4.320 -9.004 689 3HB ALA 95 3HB ALA 95 -0.091 3.134 -9.078 690 H LYS 96 H LYS 96 0.375 3.221 -12.101 691 HA LYS 96 HA LYS 96 2.913 4.109 -12.735 692 1HB LYS 96 1HB LYS 96 1.449 2.042 -13.588 693 2HB LYS 96 2HB LYS 96 1.167 3.120 -14.949 694 1HG LYS 96 1HG LYS 96 3.592 3.308 -15.283 695 2HG LYS 96 2HG LYS 96 3.849 2.187 -13.945 696 1HD LYS 96 1HD LYS 96 2.680 0.437 -15.142 697 2HD LYS 96 2HD LYS 96 2.291 1.556 -16.451 698 1HE LYS 96 1HE LYS 96 4.590 1.750 -17.064 699 2HE LYS 96 2HE LYS 96 5.105 0.868 -15.625 700 1HZ LYS 96 1HZ LYS 96 3.256 -0.571 -17.312 701 2HZ LYS 96 2HZ LYS 96 4.744 -0.235 -18.046 702 3HZ LYS 96 3HZ LYS 96 4.694 -1.092 -16.590 703 H LYS 97 H LYS 97 -0.247 4.994 -13.760 704 HA LYS 97 HA LYS 97 0.552 7.024 -15.653 705 1HB LYS 97 1HB LYS 97 -1.879 5.686 -14.957 706 2HB LYS 97 2HB LYS 97 -2.142 7.419 -14.819 707 1HG LYS 97 1HG LYS 97 -0.789 7.170 -17.206 708 2HG LYS 97 2HG LYS 97 -1.850 5.762 -17.181 709 1HD LYS 97 1HD LYS 97 -3.718 7.365 -16.552 710 2HD LYS 97 2HD LYS 97 -2.605 8.667 -16.980 711 1HE LYS 97 1HE LYS 97 -2.998 8.381 -19.150 712 2HE LYS 97 2HE LYS 97 -2.666 6.654 -19.040 713 1HZ LYS 97 1HZ LYS 97 -4.947 6.314 -18.287 714 2HZ LYS 97 2HZ LYS 97 -5.258 7.970 -18.434 715 3HZ LYS 97 3HZ LYS 97 -4.908 7.049 -19.810 716 H ILE 98 H ILE 98 -0.317 6.810 -12.279 717 HA ILE 98 HA ILE 98 -0.761 9.535 -11.787 718 HB ILE 98 HB ILE 98 0.154 7.363 -9.926 719 1HG1 ILE 98 1HG1 ILE 98 -2.512 8.777 -10.201 720 2HG1 ILE 98 2HG1 ILE 98 -2.148 7.202 -10.897 721 1HG2 ILE 98 1HG2 ILE 98 0.936 9.521 -9.094 722 2HG2 ILE 98 2HG2 ILE 98 -0.689 10.185 -9.263 723 3HG2 ILE 98 3HG2 ILE 98 -0.379 8.901 -8.093 724 1HD1 ILE 98 1HD1 ILE 98 -1.483 6.791 -8.304 725 2HD1 ILE 98 2HD1 ILE 98 -2.809 7.944 -8.145 726 3HD1 ILE 98 3HD1 ILE 98 -3.058 6.427 -9.010 727 H VAL 99 H VAL 99 2.111 7.539 -11.433 728 HA VAL 99 HA VAL 99 3.827 9.698 -10.711 729 HB VAL 99 HB VAL 99 4.152 7.215 -10.171 730 1HG1 VAL 99 1HG1 VAL 99 4.143 6.861 -12.845 731 2HG1 VAL 99 2HG1 VAL 99 5.877 6.980 -12.544 732 3HG1 VAL 99 3HG1 VAL 99 4.919 5.757 -11.710 733 1HG2 VAL 99 1HG2 VAL 99 6.455 8.880 -11.172 734 2HG2 VAL 99 2HG2 VAL 99 5.751 8.923 -9.556 735 3HG2 VAL 99 3HG2 VAL 99 6.598 7.478 -10.111 736 H SER 100 H SER 100 2.689 8.421 -13.698 737 HA SER 100 HA SER 100 4.859 9.580 -15.254 738 1HB SER 100 1HB SER 100 3.939 8.506 -17.117 739 2HB SER 100 2HB SER 100 3.525 7.402 -15.805 740 HG SER 100 HG SER 100 1.890 9.088 -17.306 741 H ASP 101 H ASP 101 2.022 10.573 -13.823 742 HA ASP 101 HA ASP 101 1.496 12.702 -15.769 743 1HB ASP 101 1HB ASP 101 -0.097 11.320 -13.717 744 2HB ASP 101 2HB ASP 101 -0.359 13.060 -13.790 745 H GLY 102 H GLY 102 3.315 12.174 -13.040 746 1HA GLY 102 1HA GLY 102 3.378 15.069 -12.454 747 2HA GLY 102 2HA GLY 102 4.774 14.007 -12.349 748 H ASN 103 H ASN 103 4.221 12.008 -10.823 749 HA ASN 103 HA ASN 103 3.854 13.148 -8.227 750 1HB ASN 103 1HB ASN 103 1.593 11.832 -9.539 751 2HB ASN 103 2HB ASN 103 1.990 11.126 -7.976 752 2HD2 ASN 103 2HD2 ASN 103 -0.127 13.053 -9.203 753 1HD2 ASN 103 1HD2 ASN 103 -0.278 14.265 -7.982 754 H GLY 104 H GLY 104 5.795 12.290 -7.639 755 1HA GLY 104 1HA GLY 104 7.400 10.691 -7.173 756 2HA GLY 104 2HA GLY 104 6.518 9.569 -8.199 757 H MET 105 H MET 105 7.758 9.329 -5.472 758 HA MET 105 HA MET 105 5.642 7.786 -4.283 759 1HB MET 105 1HB MET 105 8.197 8.329 -2.843 760 2HB MET 105 2HB MET 105 7.271 6.838 -2.953 761 1HG MET 105 1HG MET 105 8.976 8.023 -5.132 762 2HG MET 105 2HG MET 105 9.407 6.659 -4.101 763 1HE MET 105 1HE MET 105 7.165 5.113 -3.647 764 2HE MET 105 2HE MET 105 5.760 5.633 -4.578 765 3HE MET 105 3HE MET 105 6.591 4.136 -4.999 766 H ASN 106 H ASN 106 6.395 10.962 -4.323 767 HA ASN 106 HA ASN 106 6.055 11.660 -1.581 768 1HB ASN 106 1HB ASN 106 5.528 13.612 -3.772 769 2HB ASN 106 2HB ASN 106 6.433 13.810 -2.279 770 2HD2 ASN 106 2HD2 ASN 106 8.410 12.256 -2.201 771 1HD2 ASN 106 1HD2 ASN 106 9.407 12.298 -3.612 772 H ALA 107 H ALA 107 3.943 11.374 -4.386 773 HA ALA 107 HA ALA 107 1.700 12.734 -3.537 774 1HB ALA 107 1HB ALA 107 1.941 10.199 -5.141 775 2HB ALA 107 2HB ALA 107 0.409 11.036 -4.887 776 3HB ALA 107 3HB ALA 107 1.726 11.845 -5.734 777 H TRP 108 H TRP 108 2.594 9.374 -2.858 778 HA TRP 108 HA TRP 108 0.352 8.989 -1.096 779 1HB TRP 108 1HB TRP 108 2.776 7.249 -1.619 780 2HB TRP 108 2HB TRP 108 1.354 6.763 -0.696 781 HD1 TRP 108 HD1 TRP 108 -0.949 6.413 -2.092 782 HE1 TRP 108 HE1 TRP 108 -1.360 5.860 -4.574 783 HE3 TRP 108 HE3 TRP 108 3.664 7.582 -3.962 784 HZ2 TRP 108 HZ2 TRP 108 0.079 5.914 -7.014 785 HZ3 TRP 108 HZ3 TRP 108 4.063 7.306 -6.372 786 HH2 TRP 108 HH2 TRP 108 2.312 6.488 -7.862 787 H VAL 109 H VAL 109 0.269 9.335 1.008 788 HA VAL 109 HA VAL 109 2.338 10.759 2.325 789 HB VAL 109 HB VAL 109 0.274 9.670 4.008 790 1HG1 VAL 109 1HG1 VAL 109 1.977 11.697 4.227 791 2HG1 VAL 109 2HG1 VAL 109 0.601 12.565 3.549 792 3HG1 VAL 109 3HG1 VAL 109 0.423 11.672 5.059 793 1HG2 VAL 109 1HG2 VAL 109 -0.974 9.817 1.900 794 2HG2 VAL 109 2HG2 VAL 109 -1.550 10.985 3.090 795 3HG2 VAL 109 3HG2 VAL 109 -0.512 11.514 1.767 796 H ALA 110 H ALA 110 1.493 7.384 2.305 797 HA ALA 110 HA ALA 110 2.676 6.729 4.801 798 1HB ALA 110 1HB ALA 110 1.590 5.267 2.504 799 2HB ALA 110 2HB ALA 110 1.432 4.948 4.231 800 3HB ALA 110 3HB ALA 110 2.878 4.426 3.366 801 H TRP 111 H TRP 111 3.949 7.419 1.703 802 HA TRP 111 HA TRP 111 6.504 6.163 2.290 803 1HB TRP 111 1HB TRP 111 5.685 6.061 -0.013 804 2HB TRP 111 2HB TRP 111 5.659 7.815 -0.100 805 HD1 TRP 111 HD1 TRP 111 7.953 4.852 -0.462 806 HE1 TRP 111 HE1 TRP 111 10.292 5.653 -1.178 807 HE3 TRP 111 HE3 TRP 111 7.335 9.884 0.213 808 HZ2 TRP 111 HZ2 TRP 111 11.690 8.092 -1.424 809 HZ3 TRP 111 HZ3 TRP 111 9.223 11.380 -0.285 810 HH2 TRP 111 HH2 TRP 111 11.355 10.501 -1.086 811 H ARG 112 H ARG 112 5.058 9.404 2.186 812 HA ARG 112 HA ARG 112 7.622 10.610 2.863 813 1HB ARG 112 1HB ARG 112 5.054 11.517 1.787 814 2HB ARG 112 2HB ARG 112 5.760 12.603 2.975 815 1HG ARG 112 1HG ARG 112 7.764 11.754 1.106 816 2HG ARG 112 2HG ARG 112 6.369 12.417 0.251 817 1HD ARG 112 1HD ARG 112 6.589 14.274 2.140 818 2HD ARG 112 2HD ARG 112 8.268 13.735 2.116 819 HE ARG 112 HE ARG 112 8.501 14.609 -0.020 820 1HH1 ARG 112 1HH1 ARG 112 5.190 14.820 1.043 821 2HH1 ARG 112 2HH1 ARG 112 4.717 15.901 -0.226 822 1HH2 ARG 112 1HH2 ARG 112 7.888 16.032 -1.692 823 2HH2 ARG 112 2HH2 ARG 112 6.250 16.589 -1.780 824 H ASN 113 H ASN 113 6.749 8.874 4.791 825 HA ASN 113 HA ASN 113 6.432 10.672 7.039 826 1HB ASN 113 1HB ASN 113 4.135 9.523 6.018 827 2HB ASN 113 2HB ASN 113 4.572 8.435 7.333 828 2HD2 ASN 113 2HD2 ASN 113 3.281 11.467 6.471 829 1HD2 ASN 113 1HD2 ASN 113 3.007 12.065 8.069 830 H ARG 114 H ARG 114 6.084 7.200 6.382 831 HA ARG 114 HA ARG 114 7.986 6.662 8.546 832 1HB ARG 114 1HB ARG 114 5.710 5.191 7.340 833 2HB ARG 114 2HB ARG 114 7.054 4.233 7.935 834 1HG ARG 114 1HG ARG 114 6.008 4.317 9.903 835 2HG ARG 114 2HG ARG 114 6.624 5.968 10.003 836 1HD ARG 114 1HD ARG 114 4.266 6.003 8.424 837 2HD ARG 114 2HD ARG 114 3.926 5.079 9.886 838 HE ARG 114 HE ARG 114 4.480 7.907 9.699 839 1HH1 ARG 114 1HH1 ARG 114 4.343 5.110 11.770 840 2HH1 ARG 114 2HH1 ARG 114 4.159 6.034 13.222 841 1HH2 ARG 114 1HH2 ARG 114 4.239 9.133 11.606 842 2HH2 ARG 114 2HH2 ARG 114 4.099 8.321 13.130 843 H CYS 115 H CYS 115 8.089 7.086 5.308 844 HA CYS 115 HA CYS 115 10.152 5.017 4.941 845 1HB CYS 115 1HB CYS 115 8.048 5.042 3.450 846 2HB CYS 115 2HB CYS 115 8.788 6.440 2.676 847 H LYS 116 H LYS 116 9.348 8.391 4.112 848 HA LYS 116 HA LYS 116 11.735 9.082 2.888 849 1HB LYS 116 1HB LYS 116 9.500 10.412 3.263 850 2HB LYS 116 2HB LYS 116 10.346 11.044 4.669 851 1HG LYS 116 1HG LYS 116 12.020 11.163 2.328 852 2HG LYS 116 2HG LYS 116 10.481 11.984 2.055 853 1HD LYS 116 1HD LYS 116 11.365 12.696 4.644 854 2HD LYS 116 2HD LYS 116 12.746 12.863 3.558 855 1HE LYS 116 1HE LYS 116 10.386 13.909 2.309 856 2HE LYS 116 2HE LYS 116 10.590 14.637 3.901 857 1HZ LYS 116 1HZ LYS 116 13.088 14.572 2.648 858 2HZ LYS 116 2HZ LYS 116 11.980 15.210 1.539 859 3HZ LYS 116 3HZ LYS 116 12.160 15.926 3.060 860 H GLY 117 H GLY 117 13.570 8.304 3.861 861 1HA GLY 117 1HA GLY 117 14.123 9.294 6.586 862 2HA GLY 117 2HA GLY 117 15.302 9.467 5.295 863 H THR 118 H THR 118 13.997 6.603 4.558 864 HA THR 118 HA THR 118 15.837 5.130 6.323 865 HB THR 118 HB THR 118 14.375 3.170 6.085 866 HG1 THR 118 HG1 THR 118 13.282 3.433 4.211 867 1HG2 THR 118 1HG2 THR 118 13.945 5.347 7.689 868 2HG2 THR 118 2HG2 THR 118 12.363 5.119 6.944 869 3HG2 THR 118 3HG2 THR 118 13.116 3.798 7.838 870 H ASP 119 H ASP 119 15.232 2.678 4.700 871 HA ASP 119 HA ASP 119 16.566 3.351 2.192 872 1HB ASP 119 1HB ASP 119 18.080 2.506 4.133 873 2HB ASP 119 2HB ASP 119 17.461 0.958 3.605 874 H VAL 120 H VAL 120 15.130 2.750 0.705 875 HA VAL 120 HA VAL 120 13.341 0.550 1.060 876 HB VAL 120 HB VAL 120 12.699 1.008 -1.313 877 1HG1 VAL 120 1HG1 VAL 120 12.601 3.020 0.866 878 2HG1 VAL 120 2HG1 VAL 120 12.047 3.514 -0.734 879 3HG1 VAL 120 3HG1 VAL 120 11.293 2.140 0.075 880 1HG2 VAL 120 1HG2 VAL 120 15.123 2.641 -1.158 881 2HG2 VAL 120 2HG2 VAL 120 14.309 1.947 -2.560 882 3HG2 VAL 120 3HG2 VAL 120 13.739 3.468 -1.873 883 H GLN 121 H GLN 121 16.418 1.092 -0.493 884 HA GLN 121 HA GLN 121 16.493 -1.142 -2.187 885 1HB GLN 121 1HB GLN 121 18.151 0.811 -2.040 886 2HB GLN 121 2HB GLN 121 18.887 -0.063 -0.703 887 1HG GLN 121 1HG GLN 121 19.050 -2.029 -2.342 888 2HG GLN 121 2HG GLN 121 18.745 -0.825 -3.593 889 2HE2 GLN 121 2HE2 GLN 121 20.400 0.330 -4.333 890 1HE2 GLN 121 1HE2 GLN 121 21.986 0.358 -3.649 891 H ALA 122 H ALA 122 16.703 -0.793 1.218 892 HA ALA 122 HA ALA 122 17.784 -3.460 1.642 893 1HB ALA 122 1HB ALA 122 18.622 -1.845 3.159 894 2HB ALA 122 2HB ALA 122 17.490 -2.840 4.075 895 3HB ALA 122 3HB ALA 122 17.005 -1.238 3.517 896 H TRP 123 H TRP 123 14.762 -1.831 1.411 897 HA TRP 123 HA TRP 123 13.171 -3.545 3.005 898 1HB TRP 123 1HB TRP 123 12.655 -1.579 0.834 899 2HB TRP 123 2HB TRP 123 11.383 -2.744 1.185 900 HD1 TRP 123 HD1 TRP 123 11.796 0.598 1.884 901 HE1 TRP 123 HE1 TRP 123 11.001 1.311 4.226 902 HE3 TRP 123 HE3 TRP 123 11.684 -3.960 4.164 903 HZ2 TRP 123 HZ2 TRP 123 10.414 0.068 6.680 904 HZ3 TRP 123 HZ3 TRP 123 10.997 -4.120 6.501 905 HH2 TRP 123 HH2 TRP 123 10.369 -2.124 7.747 906 H ILE 124 H ILE 124 14.740 -4.027 0.028 907 HA ILE 124 HA ILE 124 13.227 -6.521 -0.387 908 HB ILE 124 HB ILE 124 13.743 -6.295 -2.827 909 1HG1 ILE 124 1HG1 ILE 124 13.964 -3.497 -3.040 910 2HG1 ILE 124 2HG1 ILE 124 15.166 -3.982 -1.848 911 1HG2 ILE 124 1HG2 ILE 124 11.971 -4.292 -1.458 912 2HG2 ILE 124 2HG2 ILE 124 11.994 -4.500 -3.208 913 3HG2 ILE 124 3HG2 ILE 124 11.527 -5.844 -2.166 914 1HD1 ILE 124 1HD1 ILE 124 15.136 -5.686 -4.206 915 2HD1 ILE 124 2HD1 ILE 124 15.501 -3.997 -4.559 916 3HD1 ILE 124 3HD1 ILE 124 16.483 -4.887 -3.396 917 H ARG 125 H ARG 125 15.936 -5.528 0.827 918 HA ARG 125 HA ARG 125 17.996 -6.744 -0.675 919 1HB ARG 125 1HB ARG 125 17.780 -5.288 1.739 920 2HB ARG 125 2HB ARG 125 18.594 -6.796 2.132 921 1HG ARG 125 1HG ARG 125 20.150 -6.312 0.203 922 2HG ARG 125 2HG ARG 125 19.437 -4.698 0.157 923 1HD ARG 125 1HD ARG 125 20.867 -4.075 1.737 924 2HD ARG 125 2HD ARG 125 20.066 -5.189 2.845 925 HE ARG 125 HE ARG 125 22.356 -5.964 1.155 926 1HH1 ARG 125 1HH1 ARG 125 20.617 -6.014 4.173 927 2HH1 ARG 125 2HH1 ARG 125 21.751 -7.062 4.957 928 1HH2 ARG 125 1HH2 ARG 125 23.854 -7.344 2.179 929 2HH2 ARG 125 2HH2 ARG 125 23.590 -7.818 3.823 930 H GLY 126 H GLY 126 17.782 -8.833 -1.251 931 1HA GLY 126 1HA GLY 126 17.515 -10.789 0.940 932 2HA GLY 126 2HA GLY 126 18.365 -11.079 -0.570 933 H CYS 127 H CYS 127 15.626 -9.419 -1.335 934 HA CYS 127 HA CYS 127 13.631 -11.384 -1.177 935 1HB CYS 127 1HB CYS 127 13.969 -8.829 -2.526 936 2HB CYS 127 2HB CYS 127 12.741 -9.886 -3.192 937 H ARG 128 H ARG 128 12.467 -11.798 -3.517 938 HA ARG 128 HA ARG 128 14.510 -13.043 -5.233 939 1HB ARG 128 1HB ARG 128 12.415 -14.324 -3.723 940 2HB ARG 128 2HB ARG 128 12.173 -14.597 -5.442 941 1HG ARG 128 1HG ARG 128 14.741 -15.182 -5.365 942 2HG ARG 128 2HG ARG 128 14.375 -15.498 -3.667 943 1HD ARG 128 1HD ARG 128 12.382 -16.637 -5.436 944 2HD ARG 128 2HD ARG 128 14.001 -17.232 -5.804 945 HE ARG 128 HE ARG 128 13.818 -17.456 -3.100 946 1HH1 ARG 128 1HH1 ARG 128 11.881 -18.577 -5.770 947 2HH1 ARG 128 2HH1 ARG 128 11.329 -19.995 -4.942 948 1HH2 ARG 128 1HH2 ARG 128 13.098 -19.321 -2.003 949 2HH2 ARG 128 2HH2 ARG 128 12.022 -20.418 -2.801 950 H LEU 129 H LEU 129 14.224 -11.046 -6.468 951 HA LEU 129 HA LEU 129 11.900 -11.244 -8.261 952 1HB LEU 129 1HB LEU 129 12.057 -8.717 -8.457 953 2HB LEU 129 2HB LEU 129 11.380 -9.356 -6.970 954 HG LEU 129 HG LEU 129 14.030 -9.112 -6.320 955 1HD1 LEU 129 1HD1 LEU 129 13.987 -7.795 -8.656 956 2HD1 LEU 129 2HD1 LEU 129 13.526 -6.487 -7.566 957 3HD1 LEU 129 3HD1 LEU 129 15.040 -7.354 -7.311 958 1HD2 LEU 129 1HD2 LEU 129 11.532 -7.694 -5.784 959 2HD2 LEU 129 2HD2 LEU 129 12.776 -8.263 -4.672 960 3HD2 LEU 129 3HD2 LEU 129 12.979 -6.724 -5.510 No H/Q in entry = 960 Start of MODEL 21 1 H1 LYS 1 H1 LYS 1 -6.694 -9.301 -1.138 2 H2 LYS 1 H2 LYS 1 -7.756 -10.327 -0.313 3 H3 LYS 1 H3 LYS 1 -7.428 -8.783 0.296 4 HA LYS 1 HA LYS 1 -6.220 -10.358 1.587 5 1HB LYS 1 1HB LYS 1 -5.282 -11.286 -1.129 6 2HB LYS 1 2HB LYS 1 -4.487 -11.761 0.366 7 1HG LYS 1 1HG LYS 1 -5.873 -13.525 0.191 8 2HG LYS 1 2HG LYS 1 -7.004 -12.428 0.984 9 1HD LYS 1 1HD LYS 1 -8.364 -12.834 -0.745 10 2HD LYS 1 2HD LYS 1 -7.289 -11.790 -1.676 11 1HE LYS 1 1HE LYS 1 -6.326 -13.528 -2.773 12 2HE LYS 1 2HE LYS 1 -6.481 -14.621 -1.399 13 1HZ LYS 1 1HZ LYS 1 -9.010 -14.402 -1.988 14 2HZ LYS 1 2HZ LYS 1 -8.408 -14.018 -3.521 15 3HZ LYS 1 3HZ LYS 1 -8.020 -15.502 -2.807 16 H VAL 2 H VAL 2 -3.846 -10.238 2.081 17 HA VAL 2 HA VAL 2 -2.772 -7.670 1.115 18 HB VAL 2 HB VAL 2 -2.329 -9.090 3.745 19 1HG1 VAL 2 1HG1 VAL 2 -0.411 -7.655 2.526 20 2HG1 VAL 2 2HG1 VAL 2 -1.289 -6.356 3.333 21 3HG1 VAL 2 3HG1 VAL 2 -0.626 -7.690 4.276 22 1HG2 VAL 2 1HG2 VAL 2 -4.176 -7.062 2.844 23 2HG2 VAL 2 2HG2 VAL 2 -4.130 -7.943 4.371 24 3HG2 VAL 2 3HG2 VAL 2 -3.173 -6.476 4.172 25 H PHE 3 H PHE 3 -0.841 -7.646 0.061 26 HA PHE 3 HA PHE 3 0.480 -10.148 -0.480 27 1HB PHE 3 1HB PHE 3 1.249 -7.313 -1.214 28 2HB PHE 3 2HB PHE 3 2.041 -8.760 -1.815 29 HD1 PHE 3 HD1 PHE 3 -1.140 -9.867 -1.749 30 HD2 PHE 3 HD2 PHE 3 1.196 -6.928 -3.749 31 HE1 PHE 3 HE1 PHE 3 -2.703 -9.917 -3.644 32 HE2 PHE 3 HE2 PHE 3 -0.359 -6.972 -5.646 33 HZ PHE 3 HZ PHE 3 -2.314 -8.470 -5.601 34 H GLY 4 H GLY 4 3.065 -9.854 -0.472 35 1HA GLY 4 1HA GLY 4 4.583 -10.417 1.315 36 2HA GLY 4 2HA GLY 4 3.745 -9.249 2.328 37 H ARG 5 H ARG 5 6.620 -9.506 1.558 38 HA ARG 5 HA ARG 5 6.984 -6.712 0.824 39 1HB ARG 5 1HB ARG 5 8.757 -8.808 2.034 40 2HB ARG 5 2HB ARG 5 9.454 -7.352 1.338 41 1HG ARG 5 1HG ARG 5 8.461 -5.967 2.922 42 2HG ARG 5 2HG ARG 5 7.274 -7.190 3.382 43 1HD ARG 5 1HD ARG 5 10.166 -7.778 3.777 44 2HD ARG 5 2HD ARG 5 9.366 -6.676 4.897 45 HE ARG 5 HE ARG 5 8.953 -9.527 4.658 46 1HH1 ARG 5 1HH1 ARG 5 7.714 -6.499 5.857 47 2HH1 ARG 5 2HH1 ARG 5 6.712 -7.239 7.061 48 1HH2 ARG 5 1HH2 ARG 5 7.636 -10.508 6.240 49 2HH2 ARG 5 2HH2 ARG 5 6.668 -9.517 7.279 50 H CYS 6 H CYS 6 8.497 -9.802 -0.152 51 HA CYS 6 HA CYS 6 9.444 -8.559 -2.573 52 1HB CYS 6 1HB CYS 6 9.561 -11.513 -2.161 53 2HB CYS 6 2HB CYS 6 10.708 -10.430 -2.940 54 H GLU 7 H GLU 7 6.913 -10.854 -1.675 55 HA GLU 7 HA GLU 7 6.134 -11.830 -4.111 56 1HB GLU 7 1HB GLU 7 5.006 -11.797 -1.615 57 2HB GLU 7 2HB GLU 7 3.874 -10.803 -2.521 58 1HG GLU 7 1HG GLU 7 4.750 -13.499 -3.497 59 2HG GLU 7 2HG GLU 7 3.405 -13.298 -2.375 60 H LEU 8 H LEU 8 5.146 -8.749 -2.673 61 HA LEU 8 HA LEU 8 3.813 -7.830 -5.006 62 1HB LEU 8 1HB LEU 8 3.157 -6.852 -2.941 63 2HB LEU 8 2HB LEU 8 4.809 -6.409 -2.545 64 HG LEU 8 HG LEU 8 4.724 -4.869 -4.583 65 1HD1 LEU 8 1HD1 LEU 8 2.149 -6.073 -4.791 66 2HD1 LEU 8 2HD1 LEU 8 1.956 -4.344 -4.507 67 3HD1 LEU 8 3HD1 LEU 8 2.924 -4.910 -5.867 68 1HD2 LEU 8 1HD2 LEU 8 3.011 -4.356 -2.161 69 2HD2 LEU 8 2HD2 LEU 8 4.714 -3.950 -2.380 70 3HD2 LEU 8 3HD2 LEU 8 3.480 -3.116 -3.324 71 H ALA 9 H ALA 9 7.140 -7.485 -3.751 72 HA ALA 9 HA ALA 9 7.963 -5.467 -5.524 73 1HB ALA 9 1HB ALA 9 9.191 -7.141 -3.599 74 2HB ALA 9 2HB ALA 9 10.143 -7.213 -5.081 75 3HB ALA 9 3HB ALA 9 9.803 -5.656 -4.326 76 H ALA 10 H ALA 10 8.313 -9.013 -5.836 77 HA ALA 10 HA ALA 10 9.483 -9.107 -8.329 78 1HB ALA 10 1HB ALA 10 9.212 -11.307 -8.064 79 2HB ALA 10 2HB ALA 10 7.456 -11.152 -8.096 80 3HB ALA 10 3HB ALA 10 8.331 -10.956 -6.578 81 H ALA 11 H ALA 11 6.108 -8.699 -7.399 82 HA ALA 11 HA ALA 11 5.042 -8.785 -9.997 83 1HB ALA 11 1HB ALA 11 3.023 -8.252 -9.065 84 2HB ALA 11 2HB ALA 11 3.881 -8.832 -7.637 85 3HB ALA 11 3HB ALA 11 3.741 -7.100 -7.940 86 H MET 12 H MET 12 6.346 -6.267 -8.072 87 HA MET 12 HA MET 12 5.643 -4.043 -9.640 88 1HB MET 12 1HB MET 12 8.264 -4.233 -8.183 89 2HB MET 12 2HB MET 12 7.294 -2.811 -8.470 90 1HG MET 12 1HG MET 12 6.745 -5.034 -6.545 91 2HG MET 12 2HG MET 12 7.086 -3.344 -6.185 92 1HE MET 12 1HE MET 12 5.815 -1.701 -7.852 93 2HE MET 12 2HE MET 12 4.064 -1.723 -8.055 94 3HE MET 12 3HE MET 12 4.765 -1.316 -6.490 95 H LYS 13 H LYS 13 8.624 -5.978 -9.616 96 HA LYS 13 HA LYS 13 9.959 -4.684 -11.685 97 1HB LYS 13 1HB LYS 13 10.661 -6.658 -10.065 98 2HB LYS 13 2HB LYS 13 10.185 -7.652 -11.436 99 1HG LYS 13 1HG LYS 13 11.740 -6.146 -12.812 100 2HG LYS 13 2HG LYS 13 12.390 -5.635 -11.253 101 1HD LYS 13 1HD LYS 13 13.792 -7.382 -11.660 102 2HD LYS 13 2HD LYS 13 12.483 -8.265 -10.872 103 1HE LYS 13 1HE LYS 13 12.052 -7.947 -13.727 104 2HE LYS 13 2HE LYS 13 13.555 -8.793 -13.366 105 1HZ LYS 13 1HZ LYS 13 10.893 -9.536 -12.275 106 2HZ LYS 13 2HZ LYS 13 11.639 -10.291 -13.591 107 3HZ LYS 13 3HZ LYS 13 12.341 -10.382 -12.055 108 H ARG 14 H ARG 14 7.744 -7.432 -11.787 109 HA ARG 14 HA ARG 14 7.843 -7.837 -14.573 110 1HB ARG 14 1HB ARG 14 6.832 -9.299 -12.630 111 2HB ARG 14 2HB ARG 14 5.359 -8.416 -13.007 112 1HG ARG 14 1HG ARG 14 6.755 -9.556 -15.325 113 2HG ARG 14 2HG ARG 14 6.095 -10.730 -14.183 114 1HD ARG 14 1HD ARG 14 4.078 -10.420 -15.055 115 2HD ARG 14 2HD ARG 14 4.136 -8.730 -14.555 116 HE ARG 14 HE ARG 14 4.992 -8.175 -16.724 117 1HH1 ARG 14 1HH1 ARG 14 3.863 -11.453 -16.375 118 2HH1 ARG 14 2HH1 ARG 14 3.661 -11.701 -18.077 119 1HH2 ARG 14 1HH2 ARG 14 4.729 -8.493 -18.966 120 2HH2 ARG 14 2HH2 ARG 14 4.154 -10.019 -19.549 121 H HIS 15 H HIS 15 5.761 -5.842 -12.521 122 HA HIS 15 HA HIS 15 4.085 -4.998 -14.665 123 1HB HIS 15 1HB HIS 15 4.394 -4.339 -11.777 124 2HB HIS 15 2HB HIS 15 3.551 -3.176 -12.796 125 HD1 HIS 15 HD1 HIS 15 2.194 -4.855 -10.506 126 HD2 HIS 15 HD2 HIS 15 2.079 -5.756 -14.560 127 HE1 HIS 15 HE1 HIS 15 0.142 -6.271 -10.822 128 HE2 HIS 15 HE2 HIS 15 0.142 -6.879 -13.267 129 H GLY 16 H GLY 16 7.252 -4.250 -14.017 130 1HA GLY 16 1HA GLY 16 7.133 -2.005 -15.778 131 2HA GLY 16 2HA GLY 16 8.573 -2.733 -15.100 132 H LEU 17 H LEU 17 7.252 -2.253 -12.272 133 HA LEU 17 HA LEU 17 7.465 0.645 -12.231 134 1HB LEU 17 1HB LEU 17 7.147 -1.025 -9.773 135 2HB LEU 17 2HB LEU 17 6.599 0.610 -10.069 136 HG LEU 17 HG LEU 17 5.279 -1.960 -10.619 137 1HD1 LEU 17 1HD1 LEU 17 4.731 0.041 -8.990 138 2HD1 LEU 17 2HD1 LEU 17 3.908 0.672 -10.416 139 3HD1 LEU 17 3HD1 LEU 17 3.448 -0.897 -9.755 140 1HD2 LEU 17 1HD2 LEU 17 5.350 0.247 -12.635 141 2HD2 LEU 17 2HD2 LEU 17 5.314 -1.499 -12.881 142 3HD2 LEU 17 3HD2 LEU 17 3.852 -0.648 -12.384 143 H ASP 18 H ASP 18 9.536 -1.747 -12.337 144 HA ASP 18 HA ASP 18 11.369 -1.100 -10.248 145 1HB ASP 18 1HB ASP 18 11.678 -3.267 -10.973 146 2HB ASP 18 2HB ASP 18 11.423 -2.855 -12.662 147 H ASN 19 H ASN 19 11.715 1.090 -10.351 148 HA ASN 19 HA ASN 19 12.834 2.990 -10.862 149 1HB ASN 19 1HB ASN 19 14.502 0.883 -11.847 150 2HB ASN 19 2HB ASN 19 14.566 2.225 -12.985 151 2HD2 ASN 19 2HD2 ASN 19 14.579 4.430 -11.658 152 1HD2 ASN 19 1HD2 ASN 19 15.837 4.506 -10.475 153 H TYR 20 H TYR 20 10.426 2.320 -12.205 154 HA TYR 20 HA TYR 20 10.553 2.981 -14.970 155 1HB TYR 20 1HB TYR 20 8.635 1.812 -13.830 156 2HB TYR 20 2HB TYR 20 8.211 3.348 -13.085 157 HD1 TYR 20 HD1 TYR 20 8.880 1.940 -16.488 158 HD2 TYR 20 HD2 TYR 20 6.582 4.614 -14.106 159 HE1 TYR 20 HE1 TYR 20 7.518 2.512 -18.454 160 HE2 TYR 20 HE2 TYR 20 5.212 5.193 -16.065 161 HH TYR 20 HH TYR 20 5.913 4.957 -18.933 162 H ARG 21 H ARG 21 9.270 5.024 -15.747 163 HA ARG 21 HA ARG 21 10.622 7.270 -15.554 164 1HB ARG 21 1HB ARG 21 8.133 6.676 -16.508 165 2HB ARG 21 2HB ARG 21 7.759 7.868 -15.270 166 1HG ARG 21 1HG ARG 21 9.121 9.507 -16.319 167 2HG ARG 21 2HG ARG 21 9.800 8.317 -17.431 168 1HD ARG 21 1HD ARG 21 6.888 8.453 -17.518 169 2HD ARG 21 2HD ARG 21 7.669 9.974 -17.948 170 HE ARG 21 HE ARG 21 8.717 7.618 -19.266 171 1HH1 ARG 21 1HH1 ARG 21 6.487 10.292 -19.403 172 2HH1 ARG 21 2HH1 ARG 21 6.340 10.248 -21.128 173 1HH2 ARG 21 1HH2 ARG 21 8.528 7.552 -21.537 174 2HH2 ARG 21 2HH2 ARG 21 7.500 8.690 -22.342 175 H GLY 22 H GLY 22 8.718 5.964 -13.020 176 1HA GLY 22 1HA GLY 22 8.045 6.909 -10.958 177 2HA GLY 22 2HA GLY 22 8.959 8.359 -11.353 178 H TYR 23 H TYR 23 9.003 5.300 -9.813 179 HA TYR 23 HA TYR 23 11.875 5.567 -9.247 180 1HB TYR 23 1HB TYR 23 9.627 5.338 -7.268 181 2HB TYR 23 2HB TYR 23 11.275 4.895 -6.846 182 HD1 TYR 23 HD1 TYR 23 9.194 7.708 -8.090 183 HD2 TYR 23 HD2 TYR 23 12.820 6.545 -6.193 184 HE1 TYR 23 HE1 TYR 23 9.679 10.064 -7.589 185 HE2 TYR 23 HE2 TYR 23 13.315 8.899 -5.686 186 HH TYR 23 HH TYR 23 12.125 11.380 -7.115 187 H SER 24 H SER 24 12.465 3.625 -7.638 188 HA SER 24 HA SER 24 12.148 1.263 -9.244 189 1HB SER 24 1HB SER 24 13.849 0.294 -7.855 190 2HB SER 24 2HB SER 24 14.323 1.957 -8.195 191 HG SER 24 HG SER 24 14.022 2.479 -6.153 192 H LEU 25 H LEU 25 11.604 -0.816 -8.314 193 HA LEU 25 HA LEU 25 9.092 -0.984 -7.265 194 1HB LEU 25 1HB LEU 25 9.773 -3.295 -6.470 195 2HB LEU 25 2HB LEU 25 9.928 -2.937 -8.178 196 HG LEU 25 HG LEU 25 12.299 -2.610 -6.390 197 1HD1 LEU 25 1HD1 LEU 25 10.854 -5.049 -6.805 198 2HD1 LEU 25 2HD1 LEU 25 12.436 -5.144 -7.577 199 3HD1 LEU 25 3HD1 LEU 25 12.313 -4.763 -5.859 200 1HD2 LEU 25 1HD2 LEU 25 11.768 -2.291 -9.111 201 2HD2 LEU 25 2HD2 LEU 25 13.347 -2.304 -8.328 202 3HD2 LEU 25 3HD2 LEU 25 12.678 -3.796 -8.989 203 H GLY 26 H GLY 26 12.137 -1.187 -5.361 204 1HA GLY 26 1HA GLY 26 12.522 -0.537 -3.194 205 2HA GLY 26 2HA GLY 26 11.161 -1.596 -2.866 206 H ASN 27 H ASN 27 11.115 1.498 -4.602 207 HA ASN 27 HA ASN 27 10.127 3.016 -2.407 208 1HB ASN 27 1HB ASN 27 9.793 3.627 -5.350 209 2HB ASN 27 2HB ASN 27 9.722 4.772 -4.013 210 2HD2 ASN 27 2HD2 ASN 27 11.718 4.950 -2.702 211 1HD2 ASN 27 1HD2 ASN 27 13.233 4.867 -3.528 212 H TRP 28 H TRP 28 8.694 1.151 -4.970 213 HA TRP 28 HA TRP 28 5.990 1.950 -4.598 214 1HB TRP 28 1HB TRP 28 7.185 -0.551 -5.792 215 2HB TRP 28 2HB TRP 28 5.479 -0.110 -5.884 216 HD1 TRP 28 HD1 TRP 28 8.845 0.644 -7.431 217 HE1 TRP 28 HE1 TRP 28 8.527 2.282 -9.378 218 HE3 TRP 28 HE3 TRP 28 3.931 1.819 -6.696 219 HZ2 TRP 28 HZ2 TRP 28 6.453 3.853 -10.493 220 HZ3 TRP 28 HZ3 TRP 28 2.834 3.383 -8.240 221 HH2 TRP 28 HH2 TRP 28 4.074 4.388 -10.106 222 H VAL 29 H VAL 29 8.090 -0.453 -3.186 223 HA VAL 29 HA VAL 29 6.059 -1.896 -1.817 224 HB VAL 29 HB VAL 29 9.047 -1.774 -1.402 225 1HG1 VAL 29 1HG1 VAL 29 7.052 -2.885 0.284 226 2HG1 VAL 29 2HG1 VAL 29 7.951 -4.209 -0.456 227 3HG1 VAL 29 3HG1 VAL 29 8.806 -2.962 0.451 228 1HG2 VAL 29 1HG2 VAL 29 7.248 -3.471 -3.069 229 2HG2 VAL 29 2HG2 VAL 29 8.792 -2.726 -3.479 230 3HG2 VAL 29 3HG2 VAL 29 8.750 -4.150 -2.440 231 H CYS 30 H CYS 30 8.463 0.504 -0.835 232 HA CYS 30 HA CYS 30 7.826 0.629 1.866 233 1HB CYS 30 1HB CYS 30 9.762 1.712 0.538 234 2HB CYS 30 2HB CYS 30 8.646 3.047 0.278 235 H ALA 31 H ALA 31 6.584 2.602 -0.828 236 HA ALA 31 HA ALA 31 4.841 4.185 0.700 237 1HB ALA 31 1HB ALA 31 5.632 4.107 -1.926 238 2HB ALA 31 2HB ALA 31 4.409 5.184 -1.249 239 3HB ALA 31 3HB ALA 31 3.925 3.671 -2.017 240 H ALA 32 H ALA 32 4.260 1.183 -1.114 241 HA ALA 32 HA ALA 32 1.490 1.055 -0.554 242 1HB ALA 32 1HB ALA 32 2.908 -0.189 -2.343 243 2HB ALA 32 2HB ALA 32 3.113 -1.397 -1.075 244 3HB ALA 32 3HB ALA 32 1.496 -0.979 -1.641 245 H LYS 33 H LYS 33 4.279 -0.587 0.934 246 HA LYS 33 HA LYS 33 3.099 -2.225 2.730 247 1HB LYS 33 1HB LYS 33 5.538 -1.990 2.408 248 2HB LYS 33 2HB LYS 33 5.492 -0.467 3.284 249 1HG LYS 33 1HG LYS 33 5.021 -1.514 5.318 250 2HG LYS 33 2HG LYS 33 4.532 -3.016 4.531 251 1HD LYS 33 1HD LYS 33 6.658 -3.754 4.334 252 2HD LYS 33 2HD LYS 33 7.294 -2.143 3.995 253 1HE LYS 33 1HE LYS 33 8.018 -1.990 6.087 254 2HE LYS 33 2HE LYS 33 6.365 -2.162 6.672 255 1HZ LYS 33 1HZ LYS 33 7.775 -4.595 5.877 256 2HZ LYS 33 2HZ LYS 33 8.255 -3.857 7.322 257 3HZ LYS 33 3HZ LYS 33 6.650 -4.354 7.119 258 H PHE 34 H PHE 34 4.033 1.132 3.457 259 HA PHE 34 HA PHE 34 2.593 1.080 5.903 260 1HB PHE 34 1HB PHE 34 4.212 3.025 4.478 261 2HB PHE 34 2HB PHE 34 3.046 3.691 5.602 262 HD1 PHE 34 HD1 PHE 34 3.048 2.440 7.958 263 HD2 PHE 34 HD2 PHE 34 6.323 2.584 5.244 264 HE1 PHE 34 HE1 PHE 34 4.600 1.982 9.812 265 HE2 PHE 34 HE2 PHE 34 7.880 2.126 7.092 266 HZ PHE 34 HZ PHE 34 7.019 1.825 9.380 267 H GLU 35 H GLU 35 1.763 1.952 2.666 268 HA GLU 35 HA GLU 35 -0.325 3.718 3.153 269 1HB GLU 35 1HB GLU 35 0.773 2.222 0.967 270 2HB GLU 35 2HB GLU 35 -0.981 2.118 0.917 271 1HG GLU 35 1HG GLU 35 -1.239 4.405 0.641 272 2HG GLU 35 2HG GLU 35 0.367 4.762 1.273 273 H SER 36 H SER 36 -0.530 0.241 2.467 274 HA SER 36 HA SER 36 -3.077 0.164 3.961 275 1HB SER 36 1HB SER 36 -3.751 -1.588 2.199 276 2HB SER 36 2HB SER 36 -3.716 0.095 1.678 277 HG SER 36 HG SER 36 -1.709 -0.280 0.738 278 H ASN 37 H ASN 37 -0.109 -0.795 4.362 279 HA ASN 37 HA ASN 37 0.934 -2.567 5.369 280 1HB ASN 37 1HB ASN 37 -1.932 -3.045 6.176 281 2HB ASN 37 2HB ASN 37 -0.659 -4.167 6.643 282 2HD2 ASN 37 2HD2 ASN 37 -0.297 -3.843 8.721 283 1HD2 ASN 37 1HD2 ASN 37 -0.022 -2.313 9.472 284 H PHE 38 H PHE 38 0.090 -2.628 2.639 285 HA PHE 38 HA PHE 38 0.276 -3.903 0.848 286 1HB PHE 38 1HB PHE 38 0.961 -5.988 2.897 287 2HB PHE 38 2HB PHE 38 0.869 -6.366 1.178 288 HD1 PHE 38 HD1 PHE 38 1.955 -3.964 -0.051 289 HD2 PHE 38 HD2 PHE 38 3.227 -6.052 3.430 290 HE1 PHE 38 HE1 PHE 38 4.225 -3.087 -0.371 291 HE2 PHE 38 HE2 PHE 38 5.503 -5.172 3.120 292 HZ PHE 38 HZ PHE 38 6.010 -3.701 1.215 293 H ASN 39 H ASN 39 -2.260 -3.509 2.363 294 HA ASN 39 HA ASN 39 -3.816 -5.852 1.618 295 1HB ASN 39 1HB ASN 39 -4.163 -4.208 3.671 296 2HB ASN 39 2HB ASN 39 -5.110 -3.306 2.491 297 2HD2 ASN 39 2HD2 ASN 39 -5.834 -4.854 4.938 298 1HD2 ASN 39 1HD2 ASN 39 -7.060 -5.955 4.417 299 H THR 40 H THR 40 -4.210 -6.083 -0.464 300 HA THR 40 HA THR 40 -4.434 -3.765 -2.200 301 HB THR 40 HB THR 40 -3.927 -5.160 -3.946 302 HG1 THR 40 HG1 THR 40 -5.662 -6.552 -3.909 303 1HG2 THR 40 1HG2 THR 40 -2.465 -5.596 -1.671 304 2HG2 THR 40 2HG2 THR 40 -2.876 -7.233 -2.184 305 3HG2 THR 40 3HG2 THR 40 -2.029 -6.150 -3.289 306 H GLN 41 H GLN 41 -6.449 -6.189 -0.771 307 HA GLN 41 HA GLN 41 -8.687 -5.573 -2.525 308 1HB GLN 41 1HB GLN 41 -8.013 -7.694 -0.571 309 2HB GLN 41 2HB GLN 41 -9.711 -7.311 -0.764 310 1HG GLN 41 1HG GLN 41 -9.241 -7.570 -3.292 311 2HG GLN 41 2HG GLN 41 -7.790 -8.418 -2.761 312 2HE2 GLN 41 2HE2 GLN 41 -8.274 -10.458 -3.320 313 1HE2 GLN 41 1HE2 GLN 41 -9.626 -11.348 -2.719 314 H ALA 42 H ALA 42 -7.416 -4.135 0.126 315 HA ALA 42 HA ALA 42 -9.960 -3.624 1.461 316 1HB ALA 42 1HB ALA 42 -8.325 -2.205 2.950 317 2HB ALA 42 2HB ALA 42 -7.107 -3.220 2.179 318 3HB ALA 42 3HB ALA 42 -8.415 -3.960 3.102 319 H THR 43 H THR 43 -10.177 -1.327 2.316 320 HA THR 43 HA THR 43 -9.575 0.679 0.243 321 HB THR 43 HB THR 43 -11.790 1.570 0.295 322 HG1 THR 43 HG1 THR 43 -12.311 1.270 2.474 323 1HG2 THR 43 1HG2 THR 43 -11.719 -1.421 0.016 324 2HG2 THR 43 2HG2 THR 43 -13.192 -0.501 -0.287 325 3HG2 THR 43 3HG2 THR 43 -11.748 -0.194 -1.250 326 H ASN 44 H ASN 44 -9.402 2.851 1.079 327 HA ASN 44 HA ASN 44 -9.347 3.016 4.023 328 1HB ASN 44 1HB ASN 44 -7.151 3.249 2.241 329 2HB ASN 44 2HB ASN 44 -7.462 4.851 2.903 330 2HD2 ASN 44 2HD2 ASN 44 -6.544 1.581 3.614 331 1HD2 ASN 44 1HD2 ASN 44 -5.975 1.874 5.218 332 H ARG 45 H ARG 45 -11.201 4.146 4.350 333 HA ARG 45 HA ARG 45 -12.083 6.284 2.715 334 1HB ARG 45 1HB ARG 45 -12.877 5.128 5.338 335 2HB ARG 45 2HB ARG 45 -13.431 6.756 4.971 336 1HG ARG 45 1HG ARG 45 -14.054 5.481 2.668 337 2HG ARG 45 2HG ARG 45 -14.258 4.179 3.842 338 1HD ARG 45 1HD ARG 45 -15.401 6.692 4.750 339 2HD ARG 45 2HD ARG 45 -16.105 6.141 3.231 340 HE ARG 45 HE ARG 45 -17.039 4.341 4.335 341 1HH1 ARG 45 1HH1 ARG 45 -14.842 6.036 6.443 342 2HH1 ARG 45 2HH1 ARG 45 -15.363 5.203 7.869 343 1HH2 ARG 45 1HH2 ARG 45 -17.731 3.240 6.207 344 2HH2 ARG 45 2HH2 ARG 45 -17.005 3.614 7.736 345 H ASN 46 H ASN 46 -11.358 8.283 2.603 346 HA ASN 46 HA ASN 46 -9.590 9.317 4.683 347 1HB ASN 46 1HB ASN 46 -10.268 10.616 2.046 348 2HB ASN 46 2HB ASN 46 -8.893 10.954 3.092 349 2HD2 ASN 46 2HD2 ASN 46 -7.252 9.337 3.293 350 1HD2 ASN 46 1HD2 ASN 46 -6.974 8.221 2.002 351 H THR 47 H THR 47 -9.828 11.890 4.744 352 HA THR 47 HA THR 47 -12.602 12.372 5.606 353 HB THR 47 HB THR 47 -11.691 14.100 7.107 354 HG1 THR 47 HG1 THR 47 -9.617 14.048 5.601 355 1HG2 THR 47 1HG2 THR 47 -11.157 11.249 7.294 356 2HG2 THR 47 2HG2 THR 47 -10.031 12.205 8.258 357 3HG2 THR 47 3HG2 THR 47 -11.768 12.363 8.516 358 H ASP 48 H ASP 48 -11.241 12.824 2.892 359 HA ASP 48 HA ASP 48 -11.888 15.690 2.658 360 1HB ASP 48 1HB ASP 48 -10.357 15.857 0.821 361 2HB ASP 48 2HB ASP 48 -9.515 15.051 2.140 362 H GLY 49 H GLY 49 -12.989 12.643 1.983 363 1HA GLY 49 1HA GLY 49 -14.749 13.693 -0.139 364 2HA GLY 49 2HA GLY 49 -15.179 12.409 0.980 365 H SER 50 H SER 50 -12.569 11.088 0.657 366 HA SER 50 HA SER 50 -13.230 9.630 -1.771 367 1HB SER 50 1HB SER 50 -10.590 9.682 -2.194 368 2HB SER 50 2HB SER 50 -11.676 10.880 -2.897 369 HG SER 50 HG SER 50 -9.686 11.218 -1.104 370 H THR 51 H THR 51 -11.680 7.699 -1.997 371 HA THR 51 HA THR 51 -10.789 6.701 0.610 372 HB THR 51 HB THR 51 -12.661 5.167 -1.200 373 HG1 THR 51 HG1 THR 51 -13.883 5.332 0.957 374 1HG2 THR 51 1HG2 THR 51 -10.870 3.871 0.092 375 2HG2 THR 51 2HG2 THR 51 -11.746 4.353 1.545 376 3HG2 THR 51 3HG2 THR 51 -12.548 3.374 0.316 377 H ASP 52 H ASP 52 -9.296 4.950 0.494 378 HA ASP 52 HA ASP 52 -7.816 4.863 -2.032 379 1HB ASP 52 1HB ASP 52 -6.993 3.899 0.711 380 2HB ASP 52 2HB ASP 52 -5.958 4.012 -0.709 381 H TYR 53 H TYR 53 -8.878 3.425 -3.264 382 HA TYR 53 HA TYR 53 -9.570 0.860 -2.132 383 1HB TYR 53 1HB TYR 53 -9.913 1.836 -4.967 384 2HB TYR 53 2HB TYR 53 -10.585 0.364 -4.272 385 HD1 TYR 53 HD1 TYR 53 -10.711 4.062 -4.072 386 HD2 TYR 53 HD2 TYR 53 -12.627 0.390 -3.108 387 HE1 TYR 53 HE1 TYR 53 -12.722 5.298 -3.389 388 HE2 TYR 53 HE2 TYR 53 -14.645 1.615 -2.421 389 HH TYR 53 HH TYR 53 -14.693 4.903 -1.849 390 H GLY 54 H GLY 54 -7.571 0.097 -1.656 391 1HA GLY 54 1HA GLY 54 -5.863 -0.616 -3.965 392 2HA GLY 54 2HA GLY 54 -6.482 -1.904 -2.958 393 H ILE 55 H ILE 55 -3.987 -1.983 -3.343 394 HA ILE 55 HA ILE 55 -2.801 -1.554 -0.746 395 HB ILE 55 HB ILE 55 -2.465 -3.641 -2.136 396 1HG1 ILE 55 1HG1 ILE 55 0.035 -2.112 -1.368 397 2HG1 ILE 55 2HG1 ILE 55 -0.954 -3.081 -0.280 398 1HG2 ILE 55 1HG2 ILE 55 -2.229 -2.548 -4.305 399 2HG2 ILE 55 2HG2 ILE 55 -0.714 -1.814 -3.779 400 3HG2 ILE 55 3HG2 ILE 55 -0.832 -3.565 -3.950 401 1HD1 ILE 55 1HD1 ILE 55 -0.405 -4.924 -2.142 402 2HD1 ILE 55 2HD1 ILE 55 1.033 -3.914 -2.286 403 3HD1 ILE 55 3HD1 ILE 55 0.611 -4.631 -0.731 404 H LEU 56 H LEU 56 -2.919 0.043 -3.770 405 HA LEU 56 HA LEU 56 -0.618 1.726 -3.043 406 1HB LEU 56 1HB LEU 56 -1.156 0.439 -5.469 407 2HB LEU 56 2HB LEU 56 -1.589 2.112 -5.754 408 HG LEU 56 HG LEU 56 0.641 2.055 -6.426 409 1HD1 LEU 56 1HD1 LEU 56 0.041 3.606 -4.325 410 2HD1 LEU 56 2HD1 LEU 56 1.360 2.667 -3.628 411 3HD1 LEU 56 3HD1 LEU 56 1.624 3.595 -5.103 412 1HD2 LEU 56 1HD2 LEU 56 0.772 -0.296 -5.062 413 2HD2 LEU 56 2HD2 LEU 56 2.148 0.517 -5.806 414 3HD2 LEU 56 3HD2 LEU 56 1.820 0.734 -4.087 415 H GLN 57 H GLN 57 -3.748 1.611 -2.593 416 HA GLN 57 HA GLN 57 -5.360 3.110 -2.102 417 1HB GLN 57 1HB GLN 57 -3.153 5.140 -2.471 418 2HB GLN 57 2HB GLN 57 -4.716 5.457 -1.732 419 1HG GLN 57 1HG GLN 57 -4.055 3.548 -0.110 420 2HG GLN 57 2HG GLN 57 -2.419 3.866 -0.685 421 2HE2 GLN 57 2HE2 GLN 57 -3.954 4.316 1.913 422 1HE2 GLN 57 1HE2 GLN 57 -3.582 5.951 2.328 423 H ILE 58 H ILE 58 -6.176 2.357 -4.326 424 HA ILE 58 HA ILE 58 -5.902 4.376 -6.394 425 HB ILE 58 HB ILE 58 -7.741 2.003 -6.524 426 1HG1 ILE 58 1HG1 ILE 58 -5.672 1.006 -5.885 427 2HG1 ILE 58 2HG1 ILE 58 -5.802 0.805 -7.627 428 1HG2 ILE 58 1HG2 ILE 58 -6.405 3.815 -8.494 429 2HG2 ILE 58 2HG2 ILE 58 -6.949 2.208 -8.975 430 3HG2 ILE 58 3HG2 ILE 58 -8.109 3.382 -8.351 431 1HD1 ILE 58 1HD1 ILE 58 -4.410 3.021 -7.674 432 2HD1 ILE 58 2HD1 ILE 58 -3.956 2.513 -6.047 433 3HD1 ILE 58 3HD1 ILE 58 -3.627 1.461 -7.423 434 H ASN 59 H ASN 59 -6.938 6.172 -5.536 435 HA ASN 59 HA ASN 59 -9.442 6.137 -4.288 436 1HB ASN 59 1HB ASN 59 -7.870 8.051 -4.198 437 2HB ASN 59 2HB ASN 59 -8.183 8.371 -5.901 438 2HD2 ASN 59 2HD2 ASN 59 -8.770 10.494 -5.025 439 1HD2 ASN 59 1HD2 ASN 59 -10.388 10.735 -4.469 440 H SER 60 H SER 60 -11.058 5.063 -5.311 441 HA SER 60 HA SER 60 -11.487 5.040 -8.092 442 1HB SER 60 1HB SER 60 -13.324 3.720 -7.648 443 2HB SER 60 2HB SER 60 -12.429 3.515 -6.143 444 HG SER 60 HG SER 60 -14.608 4.019 -5.738 445 H ARG 61 H ARG 61 -11.855 7.564 -5.959 446 HA ARG 61 HA ARG 61 -14.176 8.746 -7.266 447 1HB ARG 61 1HB ARG 61 -13.667 8.918 -4.760 448 2HB ARG 61 2HB ARG 61 -12.410 10.063 -5.207 449 1HG ARG 61 1HG ARG 61 -14.710 10.926 -6.538 450 2HG ARG 61 2HG ARG 61 -15.237 10.473 -4.915 451 1HD ARG 61 1HD ARG 61 -14.008 12.105 -3.911 452 2HD ARG 61 2HD ARG 61 -12.746 12.063 -5.141 453 HE ARG 61 HE ARG 61 -15.190 13.096 -6.175 454 1HH1 ARG 61 1HH1 ARG 61 -12.404 13.922 -4.251 455 2HH1 ARG 61 2HH1 ARG 61 -12.495 15.614 -4.614 456 1HH2 ARG 61 1HH2 ARG 61 -15.316 15.320 -6.658 457 2HH2 ARG 61 2HH2 ARG 61 -14.150 16.408 -5.982 458 H TRP 62 H TRP 62 -10.724 9.458 -6.803 459 HA TRP 62 HA TRP 62 -10.834 11.545 -8.830 460 1HB TRP 62 1HB TRP 62 -8.934 10.727 -6.718 461 2HB TRP 62 2HB TRP 62 -8.202 11.356 -8.191 462 HD1 TRP 62 HD1 TRP 62 -10.504 12.422 -5.309 463 HE1 TRP 62 HE1 TRP 62 -10.541 14.993 -5.204 464 HE3 TRP 62 HE3 TRP 62 -7.854 13.446 -9.560 465 HZ2 TRP 62 HZ2 TRP 62 -9.573 17.168 -6.722 466 HZ3 TRP 62 HZ3 TRP 62 -7.454 15.798 -10.162 467 HH2 TRP 62 HH2 TRP 62 -8.298 17.619 -8.772 468 H TRP 63 H TRP 63 -10.361 8.234 -8.693 469 HA TRP 63 HA TRP 63 -9.212 8.233 -11.387 470 1HB TRP 63 1HB TRP 63 -8.283 6.420 -9.146 471 2HB TRP 63 2HB TRP 63 -7.782 6.305 -10.827 472 HD1 TRP 63 HD1 TRP 63 -6.552 7.630 -7.674 473 HE1 TRP 63 HE1 TRP 63 -4.737 9.419 -8.069 474 HE3 TRP 63 HE3 TRP 63 -7.371 8.500 -12.612 475 HZ2 TRP 63 HZ2 TRP 63 -3.787 11.002 -10.226 476 HZ3 TRP 63 HZ3 TRP 63 -6.016 10.156 -13.780 477 HH2 TRP 63 HH2 TRP 63 -4.238 11.389 -12.617 478 H CYS 64 H CYS 64 -9.691 6.357 -12.606 479 HA CYS 64 HA CYS 64 -11.215 4.947 -13.516 480 1HB CYS 64 1HB CYS 64 -11.258 2.861 -12.458 481 2HB CYS 64 2HB CYS 64 -9.790 3.608 -11.842 482 H ASN 65 H ASN 65 -13.320 3.992 -13.556 483 HA ASN 65 HA ASN 65 -15.257 5.648 -12.107 484 1HB ASN 65 1HB ASN 65 -15.278 5.431 -14.651 485 2HB ASN 65 2HB ASN 65 -15.838 3.780 -14.407 486 2HD2 ASN 65 2HD2 ASN 65 -16.611 7.157 -14.018 487 1HD2 ASN 65 1HD2 ASN 65 -18.314 6.947 -13.816 488 H ASP 66 H ASP 66 -15.760 4.755 -10.203 489 HA ASP 66 HA ASP 66 -16.017 1.866 -9.945 490 1HB ASP 66 1HB ASP 66 -16.134 2.236 -7.574 491 2HB ASP 66 2HB ASP 66 -14.837 3.239 -8.216 492 H GLY 67 H GLY 67 -18.021 4.668 -10.243 493 1HA GLY 67 1HA GLY 67 -20.372 3.001 -10.443 494 2HA GLY 67 2HA GLY 67 -20.297 4.737 -10.708 495 H ARG 68 H ARG 68 -18.912 3.612 -7.787 496 HA ARG 68 HA ARG 68 -21.337 3.830 -6.228 497 1HB ARG 68 1HB ARG 68 -18.928 2.521 -5.874 498 2HB ARG 68 2HB ARG 68 -18.817 3.862 -4.743 499 1HG ARG 68 1HG ARG 68 -21.232 3.074 -4.073 500 2HG ARG 68 2HG ARG 68 -20.683 1.547 -4.769 501 1HD ARG 68 1HD ARG 68 -19.266 3.091 -2.599 502 2HD ARG 68 2HD ARG 68 -20.281 1.672 -2.344 503 HE ARG 68 HE ARG 68 -17.616 1.726 -3.533 504 1HH1 ARG 68 1HH1 ARG 68 -20.444 -0.098 -2.629 505 2HH1 ARG 68 2HH1 ARG 68 -19.643 -1.631 -2.722 506 1HH2 ARG 68 1HH2 ARG 68 -16.554 -0.287 -3.659 507 2HH2 ARG 68 2HH2 ARG 68 -17.431 -1.738 -3.306 508 H THR 69 H THR 69 -19.430 6.027 -7.663 509 HA THR 69 HA THR 69 -19.932 8.056 -5.585 510 HB THR 69 HB THR 69 -17.719 8.462 -7.548 511 HG1 THR 69 HG1 THR 69 -16.607 6.850 -6.766 512 1HG2 THR 69 1HG2 THR 69 -18.102 9.193 -4.642 513 2HG2 THR 69 2HG2 THR 69 -16.720 9.652 -5.637 514 3HG2 THR 69 3HG2 THR 69 -18.328 10.264 -6.025 515 HA PRO 70 HA PRO 70 -22.512 10.067 -8.572 516 1HB PRO 70 1HB PRO 70 -21.900 12.690 -7.839 517 2HB PRO 70 2HB PRO 70 -23.169 11.689 -7.130 518 1HG PRO 70 1HG PRO 70 -20.407 12.235 -6.141 519 2HG PRO 70 2HG PRO 70 -21.914 12.050 -5.225 520 1HD PRO 70 1HD PRO 70 -20.100 10.087 -5.316 521 2HD PRO 70 2HD PRO 70 -21.841 9.728 -5.337 522 H GLY 71 H GLY 71 -21.172 9.392 -10.361 523 1HA GLY 71 1HA GLY 71 -20.028 11.650 -11.744 524 2HA GLY 71 2HA GLY 71 -20.240 10.030 -12.385 525 H SER 72 H SER 72 -18.616 10.395 -9.355 526 HA SER 72 HA SER 72 -16.431 10.170 -8.715 527 1HB SER 72 1HB SER 72 -16.968 8.144 -10.742 528 2HB SER 72 2HB SER 72 -15.260 8.576 -10.674 529 HG SER 72 HG SER 72 -15.669 6.937 -9.195 530 H ARG 73 H ARG 73 -14.925 9.548 -11.687 531 HA ARG 73 HA ARG 73 -14.552 12.282 -12.489 532 1HB ARG 73 1HB ARG 73 -12.694 11.023 -10.656 533 2HB ARG 73 2HB ARG 73 -11.898 11.443 -12.166 534 1HG ARG 73 1HG ARG 73 -13.620 13.485 -10.868 535 2HG ARG 73 2HG ARG 73 -12.040 13.140 -10.163 536 1HD ARG 73 1HD ARG 73 -10.930 13.700 -12.200 537 2HD ARG 73 2HD ARG 73 -12.458 13.802 -13.072 538 HE ARG 73 HE ARG 73 -11.284 15.815 -11.374 539 1HH1 ARG 73 1HH1 ARG 73 -14.207 14.635 -12.860 540 2HH1 ARG 73 2HH1 ARG 73 -15.011 16.167 -12.794 541 1HH2 ARG 73 1HH2 ARG 73 -12.336 17.836 -11.283 542 2HH2 ARG 73 2HH2 ARG 73 -13.948 17.986 -11.899 543 H ASN 74 H ASN 74 -13.025 9.073 -12.643 544 HA ASN 74 HA ASN 74 -12.575 7.667 -14.379 545 1HB ASN 74 1HB ASN 74 -14.901 8.680 -15.179 546 2HB ASN 74 2HB ASN 74 -13.886 9.456 -16.391 547 2HD2 ASN 74 2HD2 ASN 74 -14.770 8.292 -18.074 548 1HD2 ASN 74 1HD2 ASN 74 -14.453 6.610 -18.309 549 H LEU 75 H LEU 75 -10.803 9.625 -13.556 550 HA LEU 75 HA LEU 75 -9.575 11.046 -15.679 551 1HB LEU 75 1HB LEU 75 -9.095 10.313 -12.866 552 2HB LEU 75 2HB LEU 75 -7.666 10.658 -13.803 553 HG LEU 75 HG LEU 75 -10.016 12.494 -13.279 554 1HD1 LEU 75 1HD1 LEU 75 -7.159 12.488 -12.332 555 2HD1 LEU 75 2HD1 LEU 75 -8.223 13.887 -12.192 556 3HD1 LEU 75 3HD1 LEU 75 -8.628 12.384 -11.361 557 1HD2 LEU 75 1HD2 LEU 75 -7.623 12.834 -15.069 558 2HD2 LEU 75 2HD2 LEU 75 -9.330 13.039 -15.463 559 3HD2 LEU 75 3HD2 LEU 75 -8.518 14.208 -14.422 560 H CYS 76 H CYS 76 -8.881 8.210 -13.856 561 HA CYS 76 HA CYS 76 -6.646 7.341 -15.372 562 1HB CYS 76 1HB CYS 76 -7.671 6.876 -12.911 563 2HB CYS 76 2HB CYS 76 -8.120 5.400 -13.756 564 H ASN 77 H ASN 77 -10.078 6.695 -15.305 565 HA ASN 77 HA ASN 77 -11.493 5.542 -16.670 566 1HB ASN 77 1HB ASN 77 -10.342 7.058 -18.360 567 2HB ASN 77 2HB ASN 77 -9.307 5.688 -18.755 568 2HD2 ASN 77 2HD2 ASN 77 -12.770 5.906 -18.042 569 1HD2 ASN 77 1HD2 ASN 77 -13.296 5.199 -19.528 570 H ILE 78 H ILE 78 -10.293 3.982 -14.925 571 HA ILE 78 HA ILE 78 -9.591 1.584 -16.455 572 HB ILE 78 HB ILE 78 -7.764 1.143 -15.231 573 1HG1 ILE 78 1HG1 ILE 78 -9.498 1.971 -12.965 574 2HG1 ILE 78 2HG1 ILE 78 -8.481 0.547 -13.140 575 1HG2 ILE 78 1HG2 ILE 78 -7.439 3.429 -16.010 576 2HG2 ILE 78 2HG2 ILE 78 -8.118 4.044 -14.503 577 3HG2 ILE 78 3HG2 ILE 78 -6.598 3.151 -14.484 578 1HD1 ILE 78 1HD1 ILE 78 -6.506 2.018 -12.725 579 2HD1 ILE 78 2HD1 ILE 78 -7.636 3.317 -12.347 580 3HD1 ILE 78 3HD1 ILE 78 -7.614 1.854 -11.363 581 HA PRO 79 HA PRO 79 -12.656 -0.477 -13.983 582 1HB PRO 79 1HB PRO 79 -11.291 -2.995 -13.924 583 2HB PRO 79 2HB PRO 79 -12.577 -2.497 -15.022 584 1HG PRO 79 1HG PRO 79 -9.961 -2.994 -15.771 585 2HG PRO 79 2HG PRO 79 -11.115 -2.020 -16.696 586 1HD PRO 79 1HD PRO 79 -8.917 -1.138 -14.873 587 2HD PRO 79 2HD PRO 79 -9.490 -0.410 -16.391 588 H CYS 80 H CYS 80 -12.710 0.148 -11.877 589 HA CYS 80 HA CYS 80 -10.533 0.056 -10.120 590 1HB CYS 80 1HB CYS 80 -13.364 0.042 -9.135 591 2HB CYS 80 2HB CYS 80 -11.973 0.924 -8.512 592 H SER 81 H SER 81 -13.506 -1.934 -9.940 593 HA SER 81 HA SER 81 -12.700 -3.655 -7.951 594 1HB SER 81 1HB SER 81 -14.420 -5.145 -8.677 595 2HB SER 81 2HB SER 81 -14.981 -3.512 -9.036 596 HG SER 81 HG SER 81 -13.805 -4.112 -11.187 597 H ALA 82 H ALA 82 -11.658 -3.613 -11.267 598 HA ALA 82 HA ALA 82 -10.711 -6.274 -11.441 599 1HB ALA 82 1HB ALA 82 -11.093 -4.912 -13.418 600 2HB ALA 82 2HB ALA 82 -9.429 -5.492 -13.374 601 3HB ALA 82 3HB ALA 82 -9.793 -3.822 -12.937 602 H LEU 83 H LEU 83 -9.697 -3.879 -9.430 603 HA LEU 83 HA LEU 83 -6.920 -4.862 -9.391 604 1HB LEU 83 1HB LEU 83 -6.164 -2.803 -8.704 605 2HB LEU 83 2HB LEU 83 -7.482 -2.352 -9.766 606 HG LEU 83 HG LEU 83 -8.785 -2.457 -7.388 607 1HD1 LEU 83 1HD1 LEU 83 -6.381 -2.864 -6.425 608 2HD1 LEU 83 2HD1 LEU 83 -6.240 -1.116 -6.613 609 3HD1 LEU 83 3HD1 LEU 83 -7.514 -1.792 -5.600 610 1HD2 LEU 83 1HD2 LEU 83 -7.632 -0.391 -9.101 611 2HD2 LEU 83 2HD2 LEU 83 -9.240 -0.507 -8.384 612 3HD2 LEU 83 3HD2 LEU 83 -7.895 0.131 -7.437 613 H LEU 84 H LEU 84 -9.860 -4.865 -7.698 614 HA LEU 84 HA LEU 84 -8.567 -5.367 -5.128 615 1HB LEU 84 1HB LEU 84 -11.521 -5.374 -5.467 616 2HB LEU 84 2HB LEU 84 -10.549 -4.791 -4.127 617 HG LEU 84 HG LEU 84 -10.459 -3.359 -6.748 618 1HD1 LEU 84 1HD1 LEU 84 -12.615 -3.123 -4.664 619 2HD1 LEU 84 2HD1 LEU 84 -12.278 -1.882 -5.870 620 3HD1 LEU 84 3HD1 LEU 84 -12.802 -3.486 -6.380 621 1HD2 LEU 84 1HD2 LEU 84 -9.096 -3.016 -4.442 622 2HD2 LEU 84 2HD2 LEU 84 -9.441 -1.723 -5.591 623 3HD2 LEU 84 3HD2 LEU 84 -10.467 -1.939 -4.173 624 H SER 85 H SER 85 -8.226 -7.318 -7.124 625 HA SER 85 HA SER 85 -9.672 -9.550 -5.886 626 1HB SER 85 1HB SER 85 -9.842 -10.694 -8.040 627 2HB SER 85 2HB SER 85 -10.611 -9.112 -8.146 628 HG SER 85 HG SER 85 -8.031 -8.864 -8.781 629 H SER 86 H SER 86 -7.247 -8.564 -5.143 630 HA SER 86 HA SER 86 -5.181 -9.271 -4.471 631 1HB SER 86 1HB SER 86 -6.525 -11.750 -5.275 632 2HB SER 86 2HB SER 86 -4.777 -11.819 -5.496 633 HG SER 86 HG SER 86 -5.074 -12.415 -3.425 634 H ASP 87 H ASP 87 -5.935 -8.103 -7.022 635 HA ASP 87 HA ASP 87 -3.575 -8.792 -8.632 636 1HB ASP 87 1HB ASP 87 -5.865 -9.420 -9.511 637 2HB ASP 87 2HB ASP 87 -6.204 -7.699 -9.609 638 H ILE 88 H ILE 88 -2.115 -7.166 -8.504 639 HA ILE 88 HA ILE 88 -3.013 -4.481 -7.877 640 HB ILE 88 HB ILE 88 -0.441 -4.044 -8.161 641 1HG1 ILE 88 1HG1 ILE 88 -0.239 -6.905 -7.316 642 2HG1 ILE 88 2HG1 ILE 88 -0.297 -6.532 -9.036 643 1HG2 ILE 88 1HG2 ILE 88 -1.695 -5.533 -5.867 644 2HG2 ILE 88 2HG2 ILE 88 -0.121 -4.739 -5.793 645 3HG2 ILE 88 3HG2 ILE 88 -1.578 -3.787 -6.079 646 1HD1 ILE 88 1HD1 ILE 88 1.593 -4.849 -7.639 647 2HD1 ILE 88 2HD1 ILE 88 1.944 -6.564 -7.424 648 3HD1 ILE 88 3HD1 ILE 88 1.823 -5.885 -9.046 649 H THR 89 H THR 89 -2.651 -6.261 -10.664 650 HA THR 89 HA THR 89 -1.340 -4.713 -12.488 651 HB THR 89 HB THR 89 -4.003 -5.957 -13.143 652 HG1 THR 89 HG1 THR 89 -2.925 -7.934 -13.284 653 1HG2 THR 89 1HG2 THR 89 -2.259 -4.632 -14.734 654 2HG2 THR 89 2HG2 THR 89 -1.646 -6.278 -14.883 655 3HG2 THR 89 3HG2 THR 89 -3.322 -5.921 -15.299 656 H ALA 90 H ALA 90 -4.846 -4.433 -11.811 657 HA ALA 90 HA ALA 90 -5.213 -2.158 -13.351 658 1HB ALA 90 1HB ALA 90 -7.199 -3.186 -12.969 659 2HB ALA 90 2HB ALA 90 -7.284 -1.936 -11.729 660 3HB ALA 90 3HB ALA 90 -6.797 -3.575 -11.296 661 H SER 91 H SER 91 -4.641 -2.516 -9.866 662 HA SER 91 HA SER 91 -4.889 0.204 -9.184 663 1HB SER 91 1HB SER 91 -3.014 -0.868 -7.419 664 2HB SER 91 2HB SER 91 -4.761 -0.813 -7.184 665 HG SER 91 HG SER 91 -4.752 -2.858 -8.427 666 H VAL 92 H VAL 92 -2.248 -1.660 -10.431 667 HA VAL 92 HA VAL 92 -0.324 0.415 -9.990 668 HB VAL 92 HB VAL 92 -0.124 -2.088 -11.661 669 1HG1 VAL 92 1HG1 VAL 92 1.729 0.247 -11.389 670 2HG1 VAL 92 2HG1 VAL 92 2.400 -1.371 -11.589 671 3HG1 VAL 92 3HG1 VAL 92 1.327 -0.703 -12.818 672 1HG2 VAL 92 1HG2 VAL 92 -0.039 -1.913 -8.999 673 2HG2 VAL 92 2HG2 VAL 92 0.964 -3.044 -9.904 674 3HG2 VAL 92 3HG2 VAL 92 1.642 -1.514 -9.348 675 H ASN 93 H ASN 93 -2.047 -0.809 -12.856 676 HA ASN 93 HA ASN 93 -0.955 0.733 -14.758 677 1HB ASN 93 1HB ASN 93 -2.518 -0.298 -15.925 678 2HB ASN 93 2HB ASN 93 -3.307 -0.752 -14.436 679 2HD2 ASN 93 2HD2 ASN 93 -5.212 0.140 -13.926 680 1HD2 ASN 93 1HD2 ASN 93 -5.983 1.396 -14.828 681 H CYS 94 H CYS 94 -3.394 1.626 -12.419 682 HA CYS 94 HA CYS 94 -3.870 4.231 -13.393 683 1HB CYS 94 1HB CYS 94 -5.141 2.753 -11.593 684 2HB CYS 94 2HB CYS 94 -4.117 3.653 -10.478 685 H ALA 95 H ALA 95 -1.742 3.010 -10.794 686 HA ALA 95 HA ALA 95 -0.694 5.590 -10.194 687 1HB ALA 95 1HB ALA 95 -0.254 4.325 -8.421 688 2HB ALA 95 2HB ALA 95 1.248 3.999 -9.286 689 3HB ALA 95 3HB ALA 95 -0.088 2.849 -9.371 690 H LYS 96 H LYS 96 0.347 2.999 -12.347 691 HA LYS 96 HA LYS 96 2.868 3.863 -13.038 692 1HB LYS 96 1HB LYS 96 0.892 2.101 -14.147 693 2HB LYS 96 2HB LYS 96 1.560 3.083 -15.443 694 1HG LYS 96 1HG LYS 96 3.823 2.391 -14.774 695 2HG LYS 96 2HG LYS 96 3.119 1.364 -13.525 696 1HD LYS 96 1HD LYS 96 3.279 -0.208 -15.148 697 2HD LYS 96 2HD LYS 96 1.737 0.489 -15.652 698 1HE LYS 96 1HE LYS 96 2.663 1.593 -17.438 699 2HE LYS 96 2HE LYS 96 4.257 1.687 -16.690 700 1HZ LYS 96 1HZ LYS 96 3.017 -0.778 -17.790 701 2HZ LYS 96 2HZ LYS 96 4.222 0.136 -18.548 702 3HZ LYS 96 3HZ LYS 96 4.557 -0.669 -17.099 703 H LYS 97 H LYS 97 -0.289 4.891 -13.888 704 HA LYS 97 HA LYS 97 0.522 6.947 -15.762 705 1HB LYS 97 1HB LYS 97 -1.829 5.576 -15.375 706 2HB LYS 97 2HB LYS 97 -2.189 7.133 -14.643 707 1HG LYS 97 1HG LYS 97 -0.917 7.671 -17.097 708 2HG LYS 97 2HG LYS 97 -2.119 6.414 -17.400 709 1HD LYS 97 1HD LYS 97 -3.840 7.788 -16.356 710 2HD LYS 97 2HD LYS 97 -2.644 9.033 -15.994 711 1HE LYS 97 1HE LYS 97 -3.937 9.620 -17.972 712 2HE LYS 97 2HE LYS 97 -2.245 9.345 -18.386 713 1HZ LYS 97 1HZ LYS 97 -3.921 7.002 -18.586 714 2HZ LYS 97 2HZ LYS 97 -4.330 8.239 -19.666 715 3HZ LYS 97 3HZ LYS 97 -2.764 7.601 -19.664 716 H ILE 98 H ILE 98 -0.345 6.653 -12.388 717 HA ILE 98 HA ILE 98 -0.684 9.361 -11.784 718 HB ILE 98 HB ILE 98 0.226 7.092 -10.041 719 1HG1 ILE 98 1HG1 ILE 98 -2.404 8.591 -10.163 720 2HG1 ILE 98 2HG1 ILE 98 -2.109 7.041 -10.945 721 1HG2 ILE 98 1HG2 ILE 98 -0.460 9.924 -9.264 722 2HG2 ILE 98 2HG2 ILE 98 -0.253 8.587 -8.132 723 3HG2 ILE 98 3HG2 ILE 98 1.110 9.137 -9.107 724 1HD1 ILE 98 1HD1 ILE 98 -1.464 7.075 -8.097 725 2HD1 ILE 98 2HD1 ILE 98 -3.163 7.376 -8.464 726 3HD1 ILE 98 3HD1 ILE 98 -2.383 5.905 -9.045 727 H VAL 99 H VAL 99 2.142 7.285 -11.512 728 HA VAL 99 HA VAL 99 3.918 9.378 -10.778 729 HB VAL 99 HB VAL 99 4.116 6.813 -10.379 730 1HG1 VAL 99 1HG1 VAL 99 4.330 6.647 -13.036 731 2HG1 VAL 99 2HG1 VAL 99 6.034 6.842 -12.630 732 3HG1 VAL 99 3HG1 VAL 99 5.111 5.506 -11.943 733 1HG2 VAL 99 1HG2 VAL 99 6.449 8.618 -10.977 734 2HG2 VAL 99 2HG2 VAL 99 5.627 8.410 -9.430 735 3HG2 VAL 99 3HG2 VAL 99 6.570 7.086 -10.113 736 H SER 100 H SER 100 2.769 8.147 -13.797 737 HA SER 100 HA SER 100 4.955 9.300 -15.325 738 1HB SER 100 1HB SER 100 2.565 7.637 -15.933 739 2HB SER 100 2HB SER 100 3.136 8.703 -17.216 740 HG SER 100 HG SER 100 4.725 7.380 -17.531 741 H ASP 101 H ASP 101 2.177 10.370 -13.842 742 HA ASP 101 HA ASP 101 1.630 12.502 -15.766 743 1HB ASP 101 1HB ASP 101 -0.183 11.143 -14.535 744 2HB ASP 101 2HB ASP 101 0.223 12.126 -13.131 745 H GLY 102 H GLY 102 3.671 11.983 -13.193 746 1HA GLY 102 1HA GLY 102 3.830 14.886 -12.670 747 2HA GLY 102 2HA GLY 102 5.222 13.815 -12.707 748 H ASN 103 H ASN 103 2.881 12.083 -11.219 749 HA ASN 103 HA ASN 103 3.435 13.197 -8.557 750 1HB ASN 103 1HB ASN 103 1.362 11.115 -9.253 751 2HB ASN 103 2HB ASN 103 1.478 12.066 -7.775 752 2HD2 ASN 103 2HD2 ASN 103 1.681 14.559 -8.446 753 1HD2 ASN 103 1HD2 ASN 103 0.385 15.089 -9.459 754 H GLY 104 H GLY 104 5.372 12.329 -7.976 755 1HA GLY 104 1HA GLY 104 6.956 10.732 -7.462 756 2HA GLY 104 2HA GLY 104 6.082 9.606 -8.487 757 H MET 105 H MET 105 7.311 9.367 -5.759 758 HA MET 105 HA MET 105 5.217 7.799 -4.574 759 1HB MET 105 1HB MET 105 7.724 8.425 -3.089 760 2HB MET 105 2HB MET 105 6.859 6.902 -3.232 761 1HG MET 105 1HG MET 105 8.573 8.168 -5.359 762 2HG MET 105 2HG MET 105 9.027 6.810 -4.330 763 1HE MET 105 1HE MET 105 6.873 5.186 -3.933 764 2HE MET 105 2HE MET 105 5.457 5.552 -4.919 765 3HE MET 105 3HE MET 105 6.450 4.142 -5.290 766 H ASN 106 H ASN 106 5.900 10.997 -4.624 767 HA ASN 106 HA ASN 106 5.528 11.714 -1.897 768 1HB ASN 106 1HB ASN 106 4.959 13.630 -4.108 769 2HB ASN 106 2HB ASN 106 5.857 13.862 -2.617 770 2HD2 ASN 106 2HD2 ASN 106 7.981 12.902 -2.464 771 1HD2 ASN 106 1HD2 ASN 106 8.935 12.738 -3.895 772 H ALA 107 H ALA 107 3.411 11.352 -4.693 773 HA ALA 107 HA ALA 107 1.149 12.686 -3.886 774 1HB ALA 107 1HB ALA 107 1.410 10.074 -5.361 775 2HB ALA 107 2HB ALA 107 -0.124 10.919 -5.152 776 3HB ALA 107 3HB ALA 107 1.193 11.687 -6.040 777 H TRP 108 H TRP 108 2.072 9.366 -3.074 778 HA TRP 108 HA TRP 108 -0.153 9.027 -1.285 779 1HB TRP 108 1HB TRP 108 2.304 7.297 -1.664 780 2HB TRP 108 2HB TRP 108 0.828 6.831 -0.819 781 HD1 TRP 108 HD1 TRP 108 -1.388 6.453 -2.353 782 HE1 TRP 108 HE1 TRP 108 -1.632 5.805 -4.833 783 HE3 TRP 108 HE3 TRP 108 3.351 7.524 -3.942 784 HZ2 TRP 108 HZ2 TRP 108 -0.026 5.756 -7.167 785 HZ3 TRP 108 HZ3 TRP 108 3.914 7.152 -6.307 786 HH2 TRP 108 HH2 TRP 108 2.263 6.284 -7.881 787 H VAL 109 H VAL 109 -0.252 9.533 0.780 788 HA VAL 109 HA VAL 109 1.825 10.982 2.051 789 HB VAL 109 HB VAL 109 -0.257 10.015 3.777 790 1HG1 VAL 109 1HG1 VAL 109 1.419 12.246 3.522 791 2HG1 VAL 109 2HG1 VAL 109 -0.236 12.838 3.385 792 3HG1 VAL 109 3HG1 VAL 109 0.254 11.911 4.803 793 1HG2 VAL 109 1HG2 VAL 109 -0.931 11.205 1.156 794 2HG2 VAL 109 2HG2 VAL 109 -1.839 10.057 2.140 795 3HG2 VAL 109 3HG2 VAL 109 -1.834 11.769 2.563 796 H ALA 110 H ALA 110 0.881 7.630 2.210 797 HA ALA 110 HA ALA 110 2.063 7.060 4.721 798 1HB ALA 110 1HB ALA 110 1.891 5.009 2.556 799 2HB ALA 110 2HB ALA 110 1.612 4.838 4.289 800 3HB ALA 110 3HB ALA 110 0.417 5.651 3.280 801 H TRP 111 H TRP 111 3.353 7.666 1.638 802 HA TRP 111 HA TRP 111 5.878 6.342 2.231 803 1HB TRP 111 1HB TRP 111 5.063 6.199 -0.067 804 2HB TRP 111 2HB TRP 111 5.055 7.950 -0.196 805 HD1 TRP 111 HD1 TRP 111 7.353 4.952 -0.393 806 HE1 TRP 111 HE1 TRP 111 9.690 5.717 -1.154 807 HE3 TRP 111 HE3 TRP 111 6.701 10.014 -0.068 808 HZ2 TRP 111 HZ2 TRP 111 11.073 8.141 -1.564 809 HZ3 TRP 111 HZ3 TRP 111 8.581 11.485 -0.663 810 HH2 TRP 111 HH2 TRP 111 10.721 10.566 -1.395 811 H ARG 112 H ARG 112 4.526 9.619 2.034 812 HA ARG 112 HA ARG 112 7.122 10.769 2.693 813 1HB ARG 112 1HB ARG 112 4.645 11.693 1.480 814 2HB ARG 112 2HB ARG 112 5.250 12.794 2.709 815 1HG ARG 112 1HG ARG 112 7.510 12.544 1.459 816 2HG ARG 112 2HG ARG 112 6.503 11.974 0.127 817 1HD ARG 112 1HD ARG 112 6.935 14.377 -0.038 818 2HD ARG 112 2HD ARG 112 5.220 14.041 0.192 819 HE ARG 112 HE ARG 112 6.690 14.599 2.617 820 1HH1 ARG 112 1HH1 ARG 112 4.790 15.907 0.005 821 2HH1 ARG 112 2HH1 ARG 112 4.326 17.327 0.883 822 1HH2 ARG 112 1HH2 ARG 112 6.084 16.464 3.779 823 2HH2 ARG 112 2HH2 ARG 112 5.061 17.643 3.028 824 H ASN 113 H ASN 113 6.143 9.137 4.680 825 HA ASN 113 HA ASN 113 5.880 11.039 6.847 826 1HB ASN 113 1HB ASN 113 3.560 9.785 5.815 827 2HB ASN 113 2HB ASN 113 3.902 9.030 7.369 828 2HD2 ASN 113 2HD2 ASN 113 1.972 11.166 6.172 829 1HD2 ASN 113 1HD2 ASN 113 1.944 12.374 7.406 830 H ARG 114 H ARG 114 5.289 7.567 6.382 831 HA ARG 114 HA ARG 114 7.073 7.006 8.627 832 1HB ARG 114 1HB ARG 114 4.831 5.594 7.293 833 2HB ARG 114 2HB ARG 114 6.096 4.600 7.994 834 1HG ARG 114 1HG ARG 114 4.825 6.775 9.600 835 2HG ARG 114 2HG ARG 114 4.025 5.212 9.412 836 1HD ARG 114 1HD ARG 114 5.491 4.158 10.755 837 2HD ARG 114 2HD ARG 114 6.867 5.067 10.132 838 HE ARG 114 HE ARG 114 4.985 6.286 12.037 839 1HH1 ARG 114 1HH1 ARG 114 8.212 5.342 11.122 840 2HH1 ARG 114 2HH1 ARG 114 8.968 6.177 12.437 841 1HH2 ARG 114 1HH2 ARG 114 5.971 7.389 13.772 842 2HH2 ARG 114 2HH2 ARG 114 7.695 7.341 13.944 843 H CYS 115 H CYS 115 7.248 7.225 5.322 844 HA CYS 115 HA CYS 115 9.342 5.164 5.158 845 1HB CYS 115 1HB CYS 115 7.499 4.824 3.592 846 2HB CYS 115 2HB CYS 115 7.742 6.440 2.938 847 H LYS 116 H LYS 116 8.582 8.507 4.207 848 HA LYS 116 HA LYS 116 11.039 9.096 3.011 849 1HB LYS 116 1HB LYS 116 8.919 10.470 2.920 850 2HB LYS 116 2HB LYS 116 9.319 11.057 4.528 851 1HG LYS 116 1HG LYS 116 11.328 12.083 3.721 852 2HG LYS 116 2HG LYS 116 11.107 11.360 2.127 853 1HD LYS 116 1HD LYS 116 9.017 12.641 1.864 854 2HD LYS 116 2HD LYS 116 9.303 13.397 3.433 855 1HE LYS 116 1HE LYS 116 11.312 14.438 2.628 856 2HE LYS 116 2HE LYS 116 11.209 13.559 1.103 857 1HZ LYS 116 1HZ LYS 116 8.817 14.847 1.281 858 2HZ LYS 116 2HZ LYS 116 9.909 15.982 1.897 859 3HZ LYS 116 3HZ LYS 116 10.139 15.339 0.349 860 H GLY 117 H GLY 117 12.762 8.317 4.216 861 1HA GLY 117 1HA GLY 117 13.117 9.427 6.913 862 2HA GLY 117 2HA GLY 117 14.350 9.731 5.701 863 H THR 118 H THR 118 13.189 6.743 4.974 864 HA THR 118 HA THR 118 15.139 5.416 6.738 865 HB THR 118 HB THR 118 13.807 3.339 6.401 866 HG1 THR 118 HG1 THR 118 12.599 4.824 4.558 867 1HG2 THR 118 1HG2 THR 118 13.266 5.504 8.083 868 2HG2 THR 118 2HG2 THR 118 11.694 4.980 7.483 869 3HG2 THR 118 3HG2 THR 118 12.751 3.832 8.303 870 H ASP 119 H ASP 119 14.723 2.923 5.118 871 HA ASP 119 HA ASP 119 16.061 3.680 2.635 872 1HB ASP 119 1HB ASP 119 17.573 2.898 4.607 873 2HB ASP 119 2HB ASP 119 17.045 1.325 4.052 874 H VAL 120 H VAL 120 14.807 2.958 1.048 875 HA VAL 120 HA VAL 120 12.959 0.831 1.328 876 HB VAL 120 HB VAL 120 12.712 1.035 -1.160 877 1HG1 VAL 120 1HG1 VAL 120 12.238 3.113 0.839 878 2HG1 VAL 120 2HG1 VAL 120 12.221 3.702 -0.823 879 3HG1 VAL 120 3HG1 VAL 120 11.137 2.399 -0.339 880 1HG2 VAL 120 1HG2 VAL 120 15.019 1.709 -1.656 881 2HG2 VAL 120 2HG2 VAL 120 13.848 2.853 -2.311 882 3HG2 VAL 120 3HG2 VAL 120 14.739 3.248 -0.841 883 H GLN 121 H GLN 121 16.210 1.115 0.016 884 HA GLN 121 HA GLN 121 16.383 -1.357 -1.286 885 1HB GLN 121 1HB GLN 121 18.566 0.148 0.177 886 2HB GLN 121 2HB GLN 121 18.820 -1.138 -0.995 887 1HG GLN 121 1HG GLN 121 17.215 1.183 -1.877 888 2HG GLN 121 2HG GLN 121 18.939 1.444 -1.623 889 2HE2 GLN 121 2HE2 GLN 121 20.311 -0.394 -2.601 890 1HE2 GLN 121 1HE2 GLN 121 19.899 -0.845 -4.217 891 H ALA 122 H ALA 122 16.280 -0.499 2.026 892 HA ALA 122 HA ALA 122 17.323 -3.037 2.972 893 1HB ALA 122 1HB ALA 122 17.726 -0.841 4.148 894 2HB ALA 122 2HB ALA 122 17.118 -2.148 5.163 895 3HB ALA 122 3HB ALA 122 16.027 -0.875 4.619 896 H TRP 123 H TRP 123 14.275 -1.472 2.326 897 HA TRP 123 HA TRP 123 12.654 -3.272 3.850 898 1HB TRP 123 1HB TRP 123 12.004 -1.399 1.572 899 2HB TRP 123 2HB TRP 123 10.790 -2.356 2.412 900 HD1 TRP 123 HD1 TRP 123 11.478 0.991 2.336 901 HE1 TRP 123 HE1 TRP 123 11.311 2.186 4.610 902 HE3 TRP 123 HE3 TRP 123 11.789 -3.042 5.437 903 HZ2 TRP 123 HZ2 TRP 123 11.313 1.469 7.331 904 HZ3 TRP 123 HZ3 TRP 123 11.699 -2.712 7.854 905 HH2 TRP 123 HH2 TRP 123 11.464 -0.477 8.792 906 H ILE 124 H ILE 124 14.282 -3.489 0.866 907 HA ILE 124 HA ILE 124 12.720 -5.880 0.138 908 HB ILE 124 HB ILE 124 13.675 -5.531 -2.174 909 1HG1 ILE 124 1HG1 ILE 124 14.011 -2.647 -1.561 910 2HG1 ILE 124 2HG1 ILE 124 15.305 -3.717 -1.028 911 1HG2 ILE 124 1HG2 ILE 124 11.696 -3.675 -0.911 912 2HG2 ILE 124 2HG2 ILE 124 12.064 -3.576 -2.632 913 3HG2 ILE 124 3HG2 ILE 124 11.410 -5.067 -1.955 914 1HD1 ILE 124 1HD1 ILE 124 15.037 -4.592 -3.533 915 2HD1 ILE 124 2HD1 ILE 124 14.488 -2.930 -3.750 916 3HD1 ILE 124 3HD1 ILE 124 16.091 -3.249 -3.088 917 H ARG 125 H ARG 125 15.454 -5.050 1.647 918 HA ARG 125 HA ARG 125 17.464 -6.537 0.344 919 1HB ARG 125 1HB ARG 125 17.717 -4.795 2.209 920 2HB ARG 125 2HB ARG 125 17.317 -6.097 3.322 921 1HG ARG 125 1HG ARG 125 19.239 -7.383 2.426 922 2HG ARG 125 2HG ARG 125 19.670 -5.978 1.448 923 1HD ARG 125 1HD ARG 125 20.997 -5.618 3.276 924 2HD ARG 125 2HD ARG 125 19.547 -4.742 3.767 925 HE ARG 125 HE ARG 125 20.482 -7.303 4.820 926 1HH1 ARG 125 1HH1 ARG 125 18.109 -4.752 4.823 927 2HH1 ARG 125 2HH1 ARG 125 17.418 -5.222 6.340 928 1HH2 ARG 125 1HH2 ARG 125 19.578 -7.929 6.817 929 2HH2 ARG 125 2HH2 ARG 125 18.254 -7.027 7.473 930 H GLY 126 H GLY 126 16.848 -8.571 -0.232 931 1HA GLY 126 1HA GLY 126 15.768 -10.348 1.835 932 2HA GLY 126 2HA GLY 126 17.289 -10.791 1.074 933 H CYS 127 H CYS 127 15.496 -9.181 -1.193 934 HA CYS 127 HA CYS 127 14.293 -11.653 -2.204 935 1HB CYS 127 1HB CYS 127 13.426 -9.050 -3.212 936 2HB CYS 127 2HB CYS 127 12.501 -10.516 -3.006 937 H ARG 128 H ARG 128 14.607 -12.217 -4.336 938 HA ARG 128 HA ARG 128 16.101 -10.478 -6.096 939 1HB ARG 128 1HB ARG 128 17.819 -12.339 -6.505 940 2HB ARG 128 2HB ARG 128 18.008 -11.370 -5.050 941 1HG ARG 128 1HG ARG 128 16.616 -13.273 -3.940 942 2HG ARG 128 2HG ARG 128 17.150 -14.209 -5.337 943 1HD ARG 128 1HD ARG 128 19.401 -12.821 -4.339 944 2HD ARG 128 2HD ARG 128 18.585 -13.554 -2.959 945 HE ARG 128 HE ARG 128 18.824 -15.428 -5.061 946 1HH1 ARG 128 1HH1 ARG 128 20.711 -13.799 -2.626 947 2HH1 ARG 128 2HH1 ARG 128 21.882 -15.068 -2.501 948 1HH2 ARG 128 1HH2 ARG 128 20.362 -17.104 -4.903 949 2HH2 ARG 128 2HH2 ARG 128 21.684 -16.947 -3.795 950 H LEU 129 H LEU 129 13.662 -11.093 -6.589 951 HA LEU 129 HA LEU 129 13.481 -13.535 -8.162 952 1HB LEU 129 1HB LEU 129 11.136 -11.866 -8.258 953 2HB LEU 129 2HB LEU 129 11.321 -13.484 -7.607 954 HG LEU 129 HG LEU 129 12.380 -12.208 -5.560 955 1HD1 LEU 129 1HD1 LEU 129 11.481 -10.058 -7.193 956 2HD1 LEU 129 2HD1 LEU 129 10.508 -10.098 -5.721 957 3HD1 LEU 129 3HD1 LEU 129 12.266 -9.999 -5.614 958 1HD2 LEU 129 1HD2 LEU 129 9.963 -13.390 -6.076 959 2HD2 LEU 129 2HD2 LEU 129 10.518 -12.830 -4.498 960 3HD2 LEU 129 3HD2 LEU 129 9.497 -11.792 -5.493 No H/Q in entry = 960 Start of MODEL 22 1 H1 LYS 1 H1 LYS 1 -6.995 -9.675 2.756 2 H2 LYS 1 H2 LYS 1 -7.351 -11.323 2.888 3 H3 LYS 1 H3 LYS 1 -5.941 -10.703 3.588 4 HA LYS 1 HA LYS 1 -5.367 -11.858 1.588 5 1HB LYS 1 1HB LYS 1 -7.756 -10.430 0.675 6 2HB LYS 1 2HB LYS 1 -6.427 -10.359 -0.474 7 1HG LYS 1 1HG LYS 1 -6.272 -12.832 -0.371 8 2HG LYS 1 2HG LYS 1 -7.705 -12.836 0.659 9 1HD LYS 1 1HD LYS 1 -9.074 -12.000 -1.067 10 2HD LYS 1 2HD LYS 1 -7.685 -11.531 -2.049 11 1HE LYS 1 1HE LYS 1 -8.489 -13.479 -3.066 12 2HE LYS 1 2HE LYS 1 -7.111 -14.019 -2.107 13 1HZ LYS 1 1HZ LYS 1 -9.690 -14.079 -0.773 14 2HZ LYS 1 2HZ LYS 1 -9.493 -15.188 -2.036 15 3HZ LYS 1 3HZ LYS 1 -8.420 -15.196 -0.728 16 H VAL 2 H VAL 2 -3.691 -10.531 2.795 17 HA VAL 2 HA VAL 2 -2.986 -8.054 1.388 18 HB VAL 2 HB VAL 2 -2.049 -9.221 4.010 19 1HG1 VAL 2 1HG1 VAL 2 -0.378 -7.846 2.398 20 2HG1 VAL 2 2HG1 VAL 2 -1.154 -6.518 3.258 21 3HG1 VAL 2 3HG1 VAL 2 -0.316 -7.780 4.160 22 1HG2 VAL 2 1HG2 VAL 2 -4.047 -7.280 3.218 23 2HG2 VAL 2 2HG2 VAL 2 -3.794 -8.069 4.775 24 3HG2 VAL 2 3HG2 VAL 2 -2.892 -6.609 4.369 25 H PHE 3 H PHE 3 -0.933 -7.767 0.430 26 HA PHE 3 HA PHE 3 0.302 -10.156 -0.587 27 1HB PHE 3 1HB PHE 3 0.909 -7.213 -0.914 28 2HB PHE 3 2HB PHE 3 1.872 -8.477 -1.661 29 HD1 PHE 3 HD1 PHE 3 -0.118 -10.344 -2.649 30 HD2 PHE 3 HD2 PHE 3 -0.165 -6.092 -2.577 31 HE1 PHE 3 HE1 PHE 3 -1.611 -10.330 -4.600 32 HE2 PHE 3 HE2 PHE 3 -1.654 -6.067 -4.526 33 HZ PHE 3 HZ PHE 3 -2.382 -8.190 -5.546 34 H GLY 4 H GLY 4 2.729 -10.313 -0.540 35 1HA GLY 4 1HA GLY 4 4.396 -10.982 0.988 36 2HA GLY 4 2HA GLY 4 3.648 -9.962 2.212 37 H ARG 5 H ARG 5 6.454 -10.051 1.473 38 HA ARG 5 HA ARG 5 6.783 -7.212 0.901 39 1HB ARG 5 1HB ARG 5 8.663 -9.329 1.939 40 2HB ARG 5 2HB ARG 5 9.207 -7.714 1.506 41 1HG ARG 5 1HG ARG 5 8.671 -7.019 3.534 42 2HG ARG 5 2HG ARG 5 6.979 -7.391 3.197 43 1HD ARG 5 1HD ARG 5 7.538 -8.572 5.169 44 2HD ARG 5 2HD ARG 5 7.490 -9.765 3.873 45 HE ARG 5 HE ARG 5 9.948 -8.672 5.074 46 1HH1 ARG 5 1HH1 ARG 5 8.241 -11.162 3.333 47 2HH1 ARG 5 2HH1 ARG 5 9.582 -12.257 3.328 48 1HH2 ARG 5 1HH2 ARG 5 11.719 -10.108 5.071 49 2HH2 ARG 5 2HH2 ARG 5 11.559 -11.658 4.316 50 H CYS 6 H CYS 6 8.361 -10.224 -0.197 51 HA CYS 6 HA CYS 6 9.365 -8.854 -2.522 52 1HB CYS 6 1HB CYS 6 9.441 -11.829 -2.114 53 2HB CYS 6 2HB CYS 6 10.531 -10.806 -3.043 54 H GLU 7 H GLU 7 6.807 -11.175 -1.803 55 HA GLU 7 HA GLU 7 6.073 -12.036 -4.292 56 1HB GLU 7 1HB GLU 7 4.167 -11.055 -2.152 57 2HB GLU 7 2HB GLU 7 3.751 -12.125 -3.483 58 1HG GLU 7 1HG GLU 7 5.859 -13.418 -2.287 59 2HG GLU 7 2HG GLU 7 4.986 -12.720 -0.923 60 H LEU 8 H LEU 8 5.053 -9.010 -2.752 61 HA LEU 8 HA LEU 8 3.783 -8.001 -5.085 62 1HB LEU 8 1HB LEU 8 3.059 -7.120 -2.996 63 2HB LEU 8 2HB LEU 8 4.695 -6.676 -2.539 64 HG LEU 8 HG LEU 8 4.379 -5.224 -4.825 65 1HD1 LEU 8 1HD1 LEU 8 1.780 -6.053 -4.162 66 2HD1 LEU 8 2HD1 LEU 8 1.899 -4.354 -3.703 67 3HD1 LEU 8 3HD1 LEU 8 2.266 -4.848 -5.355 68 1HD2 LEU 8 1HD2 LEU 8 5.020 -4.681 -2.314 69 2HD2 LEU 8 2HD2 LEU 8 4.592 -3.416 -3.466 70 3HD2 LEU 8 3HD2 LEU 8 3.393 -3.998 -2.312 71 H ALA 9 H ALA 9 7.074 -7.705 -3.725 72 HA ALA 9 HA ALA 9 7.918 -5.599 -5.389 73 1HB ALA 9 1HB ALA 9 10.011 -7.524 -4.826 74 2HB ALA 9 2HB ALA 9 9.861 -5.833 -4.348 75 3HB ALA 9 3HB ALA 9 9.073 -7.092 -3.397 76 H ALA 10 H ALA 10 8.363 -9.122 -5.811 77 HA ALA 10 HA ALA 10 9.597 -9.093 -8.273 78 1HB ALA 10 1HB ALA 10 9.052 -11.343 -8.459 79 2HB ALA 10 2HB ALA 10 7.485 -11.132 -7.677 80 3HB ALA 10 3HB ALA 10 8.964 -11.082 -6.717 81 H ALA 11 H ALA 11 6.200 -8.755 -7.414 82 HA ALA 11 HA ALA 11 5.193 -8.813 -10.042 83 1HB ALA 11 1HB ALA 11 3.821 -7.221 -7.950 84 2HB ALA 11 2HB ALA 11 3.965 -8.966 -7.733 85 3HB ALA 11 3HB ALA 11 3.139 -8.318 -9.150 86 H MET 12 H MET 12 6.397 -6.318 -8.023 87 HA MET 12 HA MET 12 5.670 -4.053 -9.501 88 1HB MET 12 1HB MET 12 8.317 -4.277 -8.095 89 2HB MET 12 2HB MET 12 7.335 -2.852 -8.312 90 1HG MET 12 1HG MET 12 6.807 -5.157 -6.479 91 2HG MET 12 2HG MET 12 7.175 -3.491 -6.043 92 1HE MET 12 1HE MET 12 5.905 -1.733 -7.544 93 2HE MET 12 2HE MET 12 4.152 -1.724 -7.745 94 3HE MET 12 3HE MET 12 4.859 -1.438 -6.155 95 H LYS 13 H LYS 13 8.686 -5.928 -9.604 96 HA LYS 13 HA LYS 13 9.963 -4.551 -11.647 97 1HB LYS 13 1HB LYS 13 10.843 -6.456 -10.154 98 2HB LYS 13 2HB LYS 13 10.147 -7.542 -11.350 99 1HG LYS 13 1HG LYS 13 11.528 -6.214 -13.060 100 2HG LYS 13 2HG LYS 13 12.414 -5.614 -11.657 101 1HD LYS 13 1HD LYS 13 12.359 -8.284 -11.152 102 2HD LYS 13 2HD LYS 13 12.434 -8.268 -12.916 103 1HE LYS 13 1HE LYS 13 14.275 -6.341 -12.080 104 2HE LYS 13 2HE LYS 13 14.498 -7.703 -10.981 105 1HZ LYS 13 1HZ LYS 13 14.289 -8.858 -13.443 106 2HZ LYS 13 2HZ LYS 13 15.201 -7.466 -13.742 107 3HZ LYS 13 3HZ LYS 13 15.725 -8.589 -12.590 108 H ARG 14 H ARG 14 7.733 -7.291 -11.825 109 HA ARG 14 HA ARG 14 7.804 -7.601 -14.620 110 1HB ARG 14 1HB ARG 14 5.912 -8.416 -12.452 111 2HB ARG 14 2HB ARG 14 5.400 -8.572 -14.127 112 1HG ARG 14 1HG ARG 14 7.527 -9.886 -14.515 113 2HG ARG 14 2HG ARG 14 7.705 -9.924 -12.759 114 1HD ARG 14 1HD ARG 14 6.454 -11.772 -12.827 115 2HD ARG 14 2HD ARG 14 5.093 -10.691 -13.128 116 HE ARG 14 HE ARG 14 6.635 -11.793 -15.374 117 1HH1 ARG 14 1HH1 ARG 14 3.639 -11.447 -13.628 118 2HH1 ARG 14 2HH1 ARG 14 2.678 -12.155 -14.883 119 1HH2 ARG 14 1HH2 ARG 14 5.376 -12.725 -17.031 120 2HH2 ARG 14 2HH2 ARG 14 3.665 -12.882 -16.816 121 H HIS 15 H HIS 15 5.749 -5.658 -12.485 122 HA HIS 15 HA HIS 15 4.083 -4.707 -14.582 123 1HB HIS 15 1HB HIS 15 4.445 -4.132 -11.678 124 2HB HIS 15 2HB HIS 15 3.562 -2.964 -12.658 125 HD1 HIS 15 HD1 HIS 15 2.181 -4.557 -10.404 126 HD2 HIS 15 HD2 HIS 15 2.195 -5.682 -14.403 127 HE1 HIS 15 HE1 HIS 15 0.172 -6.039 -10.692 128 HE2 HIS 15 HE2 HIS 15 0.251 -6.782 -13.098 129 H GLY 16 H GLY 16 7.276 -4.001 -13.911 130 1HA GLY 16 1HA GLY 16 7.145 -1.691 -15.592 131 2HA GLY 16 2HA GLY 16 8.589 -2.459 -14.969 132 H LEU 17 H LEU 17 7.370 -2.084 -12.090 133 HA LEU 17 HA LEU 17 7.571 0.813 -11.950 134 1HB LEU 17 1HB LEU 17 7.373 -0.933 -9.534 135 2HB LEU 17 2HB LEU 17 6.786 0.698 -9.764 136 HG LEU 17 HG LEU 17 5.485 -1.878 -10.313 137 1HD1 LEU 17 1HD1 LEU 17 4.952 0.044 -8.621 138 2HD1 LEU 17 2HD1 LEU 17 4.122 0.758 -10.004 139 3HD1 LEU 17 3HD1 LEU 17 3.643 -0.835 -9.415 140 1HD2 LEU 17 1HD2 LEU 17 5.398 0.380 -12.283 141 2HD2 LEU 17 2HD2 LEU 17 5.474 -1.357 -12.578 142 3HD2 LEU 17 3HD2 LEU 17 3.973 -0.623 -12.015 143 H ASP 18 H ASP 18 9.650 -1.535 -12.271 144 HA ASP 18 HA ASP 18 11.587 -1.009 -10.247 145 1HB ASP 18 1HB ASP 18 11.605 -3.154 -11.349 146 2HB ASP 18 2HB ASP 18 11.793 -2.396 -12.926 147 H ASN 19 H ASN 19 11.739 1.268 -10.306 148 HA ASN 19 HA ASN 19 12.776 3.227 -10.783 149 1HB ASN 19 1HB ASN 19 14.551 1.205 -11.810 150 2HB ASN 19 2HB ASN 19 14.587 2.614 -12.865 151 2HD2 ASN 19 2HD2 ASN 19 14.517 4.738 -11.445 152 1HD2 ASN 19 1HD2 ASN 19 15.729 4.790 -10.216 153 H TYR 20 H TYR 20 10.412 2.590 -12.068 154 HA TYR 20 HA TYR 20 10.504 3.213 -14.844 155 1HB TYR 20 1HB TYR 20 8.566 2.118 -13.627 156 2HB TYR 20 2HB TYR 20 8.188 3.700 -12.955 157 HD1 TYR 20 HD1 TYR 20 8.709 2.001 -16.240 158 HD2 TYR 20 HD2 TYR 20 6.711 5.081 -14.089 159 HE1 TYR 20 HE1 TYR 20 7.374 2.522 -18.237 160 HE2 TYR 20 HE2 TYR 20 5.369 5.609 -16.081 161 HH TYR 20 HH TYR 20 5.397 3.589 -18.904 162 H ARG 21 H ARG 21 9.423 5.313 -15.667 163 HA ARG 21 HA ARG 21 10.822 7.486 -15.473 164 1HB ARG 21 1HB ARG 21 8.134 7.032 -16.130 165 2HB ARG 21 2HB ARG 21 8.119 8.412 -15.040 166 1HG ARG 21 1HG ARG 21 9.844 9.478 -16.500 167 2HG ARG 21 2HG ARG 21 9.608 8.151 -17.639 168 1HD ARG 21 1HD ARG 21 7.484 10.073 -16.695 169 2HD ARG 21 2HD ARG 21 8.290 10.114 -18.263 170 HE ARG 21 HE ARG 21 6.165 8.355 -17.446 171 1HH1 ARG 21 1HH1 ARG 21 8.827 8.811 -19.647 172 2HH1 ARG 21 2HH1 ARG 21 8.189 7.736 -20.845 173 1HH2 ARG 21 1HH2 ARG 21 5.317 6.937 -19.018 174 2HH2 ARG 21 2HH2 ARG 21 6.193 6.671 -20.488 175 H GLY 22 H GLY 22 8.619 6.473 -12.945 176 1HA GLY 22 1HA GLY 22 8.210 7.330 -10.834 177 2HA GLY 22 2HA GLY 22 9.170 8.741 -11.253 178 H TYR 23 H TYR 23 9.150 5.639 -9.740 179 HA TYR 23 HA TYR 23 12.024 5.894 -9.179 180 1HB TYR 23 1HB TYR 23 9.802 5.555 -7.180 181 2HB TYR 23 2HB TYR 23 11.488 5.246 -6.792 182 HD1 TYR 23 HD1 TYR 23 9.149 7.876 -7.963 183 HD2 TYR 23 HD2 TYR 23 12.920 7.022 -6.191 184 HE1 TYR 23 HE1 TYR 23 9.446 10.264 -7.468 185 HE2 TYR 23 HE2 TYR 23 13.229 9.409 -5.689 186 HH TYR 23 HH TYR 23 11.128 11.521 -5.419 187 H SER 24 H SER 24 12.773 3.990 -7.749 188 HA SER 24 HA SER 24 12.573 1.653 -9.317 189 1HB SER 24 1HB SER 24 14.126 0.679 -7.771 190 2HB SER 24 2HB SER 24 14.588 2.367 -7.990 191 HG SER 24 HG SER 24 14.602 2.082 -5.832 192 H LEU 25 H LEU 25 11.859 -0.419 -8.663 193 HA LEU 25 HA LEU 25 9.280 -0.608 -7.833 194 1HB LEU 25 1HB LEU 25 9.506 -2.869 -7.903 195 2HB LEU 25 2HB LEU 25 10.907 -2.372 -8.828 196 HG LEU 25 HG LEU 25 12.086 -2.527 -6.467 197 1HD1 LEU 25 1HD1 LEU 25 9.484 -3.716 -6.046 198 2HD1 LEU 25 2HD1 LEU 25 10.781 -4.872 -5.740 199 3HD1 LEU 25 3HD1 LEU 25 10.749 -3.334 -4.878 200 1HD2 LEU 25 1HD2 LEU 25 11.469 -4.608 -8.508 201 2HD2 LEU 25 2HD2 LEU 25 12.993 -3.793 -8.155 202 3HD2 LEU 25 3HD2 LEU 25 12.392 -5.049 -7.071 203 H GLY 26 H GLY 26 12.160 -0.982 -5.733 204 1HA GLY 26 1HA GLY 26 12.404 -0.643 -3.488 205 2HA GLY 26 2HA GLY 26 10.987 -1.671 -3.373 206 H ASN 27 H ASN 27 11.184 1.634 -4.684 207 HA ASN 27 HA ASN 27 10.230 2.956 -2.399 208 1HB ASN 27 1HB ASN 27 9.963 3.691 -5.320 209 2HB ASN 27 2HB ASN 27 9.558 4.769 -3.987 210 2HD2 ASN 27 2HD2 ASN 27 12.001 3.599 -6.003 211 1HD2 ASN 27 1HD2 ASN 27 13.343 4.365 -5.232 212 H TRP 28 H TRP 28 8.655 1.101 -4.829 213 HA TRP 28 HA TRP 28 5.981 1.990 -4.320 214 1HB TRP 28 1HB TRP 28 7.003 -0.489 -5.690 215 2HB TRP 28 2HB TRP 28 5.340 0.099 -5.728 216 HD1 TRP 28 HD1 TRP 28 8.793 0.807 -7.139 217 HE1 TRP 28 HE1 TRP 28 8.574 2.524 -9.045 218 HE3 TRP 28 HE3 TRP 28 3.885 2.010 -6.536 219 HZ2 TRP 28 HZ2 TRP 28 6.551 4.170 -10.162 220 HZ3 TRP 28 HZ3 TRP 28 2.855 3.655 -8.043 221 HH2 TRP 28 HH2 TRP 28 4.167 4.721 -9.827 222 H VAL 29 H VAL 29 8.046 -0.650 -3.219 223 HA VAL 29 HA VAL 29 6.032 -2.071 -1.846 224 HB VAL 29 HB VAL 29 9.030 -2.017 -1.500 225 1HG1 VAL 29 1HG1 VAL 29 7.943 -2.762 0.564 226 2HG1 VAL 29 2HG1 VAL 29 7.063 -3.988 -0.347 227 3HG1 VAL 29 3HG1 VAL 29 8.820 -4.072 -0.224 228 1HG2 VAL 29 1HG2 VAL 29 7.149 -3.778 -3.042 229 2HG2 VAL 29 2HG2 VAL 29 8.539 -2.865 -3.632 230 3HG2 VAL 29 3HG2 VAL 29 8.783 -4.290 -2.622 231 H CYS 30 H CYS 30 8.505 0.221 -0.769 232 HA CYS 30 HA CYS 30 7.832 0.232 1.939 233 1HB CYS 30 1HB CYS 30 9.902 1.189 0.884 234 2HB CYS 30 2HB CYS 30 8.931 2.560 0.358 235 H ALA 31 H ALA 31 6.733 2.374 -0.699 236 HA ALA 31 HA ALA 31 5.108 4.029 0.885 237 1HB ALA 31 1HB ALA 31 4.684 3.358 -2.021 238 2HB ALA 31 2HB ALA 31 4.155 4.808 -1.167 239 3HB ALA 31 3HB ALA 31 5.874 4.520 -1.436 240 H ALA 32 H ALA 32 4.331 1.109 -0.979 241 HA ALA 32 HA ALA 32 1.562 1.135 -0.377 242 1HB ALA 32 1HB ALA 32 2.266 -0.069 -2.293 243 2HB ALA 32 2HB ALA 32 3.395 -1.043 -1.350 244 3HB ALA 32 3HB ALA 32 1.657 -1.259 -1.143 245 H LYS 33 H LYS 33 4.322 -0.586 1.064 246 HA LYS 33 HA LYS 33 3.071 -2.263 2.805 247 1HB LYS 33 1HB LYS 33 5.539 -2.050 2.422 248 2HB LYS 33 2HB LYS 33 5.526 -0.642 3.474 249 1HG LYS 33 1HG LYS 33 4.964 -1.928 5.364 250 2HG LYS 33 2HG LYS 33 4.541 -3.329 4.377 251 1HD LYS 33 1HD LYS 33 6.883 -3.563 3.706 252 2HD LYS 33 2HD LYS 33 7.306 -2.157 4.685 253 1HE LYS 33 1HE LYS 33 7.802 -3.770 6.201 254 2HE LYS 33 2HE LYS 33 6.082 -3.608 6.557 255 1HZ LYS 33 1HZ LYS 33 5.848 -5.431 4.757 256 2HZ LYS 33 2HZ LYS 33 7.478 -5.741 5.089 257 3HZ LYS 33 3HZ LYS 33 6.326 -5.868 6.320 258 H PHE 34 H PHE 34 4.128 1.050 3.607 259 HA PHE 34 HA PHE 34 2.729 0.966 6.076 260 1HB PHE 34 1HB PHE 34 4.388 2.901 4.684 261 2HB PHE 34 2HB PHE 34 3.263 3.569 5.850 262 HD1 PHE 34 HD1 PHE 34 3.294 2.446 8.197 263 HD2 PHE 34 HD2 PHE 34 6.458 2.154 5.367 264 HE1 PHE 34 HE1 PHE 34 4.855 1.869 10.009 265 HE2 PHE 34 HE2 PHE 34 8.026 1.577 7.173 266 HZ PHE 34 HZ PHE 34 7.224 1.433 9.498 267 H GLU 35 H GLU 35 1.831 1.852 2.888 268 HA GLU 35 HA GLU 35 -0.211 3.686 3.491 269 1HB GLU 35 1HB GLU 35 0.932 2.490 1.216 270 2HB GLU 35 2HB GLU 35 -0.780 2.096 1.156 271 1HG GLU 35 1HG GLU 35 -1.414 4.344 1.077 272 2HG GLU 35 2HG GLU 35 0.166 4.900 1.627 273 H SER 36 H SER 36 -0.403 0.239 2.649 274 HA SER 36 HA SER 36 -2.950 0.086 4.133 275 1HB SER 36 1HB SER 36 -3.621 -1.583 2.276 276 2HB SER 36 2HB SER 36 -3.640 0.133 1.876 277 HG SER 36 HG SER 36 -1.237 -1.159 1.457 278 H ASN 37 H ASN 37 0.059 -0.930 4.325 279 HA ASN 37 HA ASN 37 1.119 -2.742 5.231 280 1HB ASN 37 1HB ASN 37 -1.253 -2.490 6.642 281 2HB ASN 37 2HB ASN 37 -1.271 -4.176 6.132 282 2HD2 ASN 37 2HD2 ASN 37 0.654 -1.734 7.781 283 1HD2 ASN 37 1HD2 ASN 37 1.519 -2.837 8.791 284 H PHE 38 H PHE 38 0.101 -2.738 2.538 285 HA PHE 38 HA PHE 38 0.124 -4.001 0.713 286 1HB PHE 38 1HB PHE 38 0.961 -6.149 2.656 287 2HB PHE 38 2HB PHE 38 0.846 -6.406 0.918 288 HD1 PHE 38 HD1 PHE 38 1.855 -3.789 -0.055 289 HD2 PHE 38 HD2 PHE 38 3.260 -6.335 3.049 290 HE1 PHE 38 HE1 PHE 38 4.116 -2.877 -0.345 291 HE2 PHE 38 HE2 PHE 38 5.527 -5.425 2.767 292 HZ PHE 38 HZ PHE 38 5.961 -3.701 1.066 293 H ASN 39 H ASN 39 -2.274 -3.670 2.459 294 HA ASN 39 HA ASN 39 -3.816 -6.069 2.028 295 1HB ASN 39 1HB ASN 39 -4.230 -4.567 3.967 296 2HB ASN 39 2HB ASN 39 -4.761 -3.313 2.851 297 2HD2 ASN 39 2HD2 ASN 39 -6.645 -3.610 4.396 298 1HD2 ASN 39 1HD2 ASN 39 -7.873 -4.718 3.898 299 H THR 40 H THR 40 -4.348 -6.587 0.026 300 HA THR 40 HA THR 40 -4.533 -4.727 -2.110 301 HB THR 40 HB THR 40 -4.780 -6.548 -3.484 302 HG1 THR 40 HG1 THR 40 -6.344 -7.975 -3.194 303 1HG2 THR 40 1HG2 THR 40 -3.084 -6.972 -1.394 304 2HG2 THR 40 2HG2 THR 40 -4.074 -8.430 -1.353 305 3HG2 THR 40 3HG2 THR 40 -3.200 -8.000 -2.822 306 H GLN 41 H GLN 41 -6.712 -6.159 0.120 307 HA GLN 41 HA GLN 41 -9.086 -5.191 -1.246 308 1HB GLN 41 1HB GLN 41 -8.463 -7.064 0.960 309 2HB GLN 41 2HB GLN 41 -9.996 -6.232 1.051 310 1HG GLN 41 1HG GLN 41 -9.229 -7.574 -1.488 311 2HG GLN 41 2HG GLN 41 -9.793 -8.551 -0.132 312 2HE2 GLN 41 2HE2 GLN 41 -11.695 -9.188 -1.040 313 1HE2 GLN 41 1HE2 GLN 41 -13.000 -8.108 -1.383 314 H ALA 42 H ALA 42 -6.846 -3.691 0.453 315 HA ALA 42 HA ALA 42 -8.156 -2.466 2.610 316 1HB ALA 42 1HB ALA 42 -6.237 -1.336 2.915 317 2HB ALA 42 2HB ALA 42 -5.618 -2.481 1.727 318 3HB ALA 42 3HB ALA 42 -6.115 -0.867 1.220 319 H THR 43 H THR 43 -9.778 -1.113 2.644 320 HA THR 43 HA THR 43 -10.046 0.932 0.551 321 HB THR 43 HB THR 43 -12.407 0.614 0.358 322 HG1 THR 43 HG1 THR 43 -12.590 -1.638 1.959 323 1HG2 THR 43 1HG2 THR 43 -10.919 -2.003 0.229 324 2HG2 THR 43 2HG2 THR 43 -12.570 -1.805 -0.360 325 3HG2 THR 43 3HG2 THR 43 -11.257 -0.880 -1.088 326 H ASN 44 H ASN 44 -10.079 2.906 1.554 327 HA ASN 44 HA ASN 44 -11.341 3.080 4.201 328 1HB ASN 44 1HB ASN 44 -8.707 2.936 4.136 329 2HB ASN 44 2HB ASN 44 -8.839 4.639 3.708 330 2HD2 ASN 44 2HD2 ASN 44 -9.872 2.260 6.102 331 1HD2 ASN 44 1HD2 ASN 44 -9.924 3.360 7.434 332 H ARG 45 H ARG 45 -12.928 4.489 4.059 333 HA ARG 45 HA ARG 45 -13.028 6.494 2.008 334 1HB ARG 45 1HB ARG 45 -15.003 5.206 3.020 335 2HB ARG 45 2HB ARG 45 -14.877 6.316 4.378 336 1HG ARG 45 1HG ARG 45 -15.555 8.134 3.126 337 2HG ARG 45 2HG ARG 45 -15.097 7.382 1.598 338 1HD ARG 45 1HD ARG 45 -17.008 5.672 2.648 339 2HD ARG 45 2HD ARG 45 -17.612 7.281 3.042 340 HE ARG 45 HE ARG 45 -16.760 6.808 0.295 341 1HH1 ARG 45 1HH1 ARG 45 -19.367 7.125 2.586 342 2HH1 ARG 45 2HH1 ARG 45 -20.569 7.407 1.373 343 1HH2 ARG 45 1HH2 ARG 45 -18.338 7.180 -1.308 344 2HH2 ARG 45 2HH2 ARG 45 -19.984 7.438 -0.841 345 H ASN 46 H ASN 46 -13.008 8.729 2.259 346 HA ASN 46 HA ASN 46 -11.706 9.675 4.725 347 1HB ASN 46 1HB ASN 46 -11.624 11.137 2.101 348 2HB ASN 46 2HB ASN 46 -10.532 11.280 3.475 349 2HD2 ASN 46 2HD2 ASN 46 -10.539 10.358 0.450 350 1HD2 ASN 46 1HD2 ASN 46 -9.444 9.022 0.490 351 H THR 47 H THR 47 -12.036 12.189 4.896 352 HA THR 47 HA THR 47 -14.887 12.561 5.229 353 HB THR 47 HB THR 47 -14.247 14.700 6.330 354 HG1 THR 47 HG1 THR 47 -11.601 14.129 6.553 355 1HG2 THR 47 1HG2 THR 47 -13.943 12.111 7.264 356 2HG2 THR 47 2HG2 THR 47 -12.439 12.904 7.728 357 3HG2 THR 47 3HG2 THR 47 -13.986 13.575 8.246 358 H ASP 48 H ASP 48 -12.366 13.635 3.091 359 HA ASP 48 HA ASP 48 -13.681 15.934 2.071 360 1HB ASP 48 1HB ASP 48 -12.077 15.638 0.136 361 2HB ASP 48 2HB ASP 48 -11.335 15.786 1.726 362 H GLY 49 H GLY 49 -14.269 12.626 1.693 363 1HA GLY 49 1HA GLY 49 -15.981 13.193 -0.647 364 2HA GLY 49 2HA GLY 49 -16.399 12.057 0.626 365 H SER 50 H SER 50 -13.151 12.196 -0.620 366 HA SER 50 HA SER 50 -13.557 10.101 -2.551 367 1HB SER 50 1HB SER 50 -10.891 10.161 -2.358 368 2HB SER 50 2HB SER 50 -11.794 11.372 -3.268 369 HG SER 50 HG SER 50 -11.665 12.746 -1.487 370 H THR 51 H THR 51 -11.527 8.384 -2.306 371 HA THR 51 HA THR 51 -11.323 7.275 0.342 372 HB THR 51 HB THR 51 -12.912 5.775 -1.749 373 HG1 THR 51 HG1 THR 51 -14.232 5.993 0.521 374 1HG2 THR 51 1HG2 THR 51 -11.356 4.820 0.442 375 2HG2 THR 51 2HG2 THR 51 -13.062 4.558 0.803 376 3HG2 THR 51 3HG2 THR 51 -12.364 3.903 -0.679 377 H ASP 52 H ASP 52 -9.874 5.398 0.404 378 HA ASP 52 HA ASP 52 -8.115 5.294 -1.952 379 1HB ASP 52 1HB ASP 52 -7.533 4.627 0.943 380 2HB ASP 52 2HB ASP 52 -6.379 4.500 -0.380 381 H TYR 53 H TYR 53 -9.006 3.707 -3.161 382 HA TYR 53 HA TYR 53 -9.612 1.174 -1.846 383 1HB TYR 53 1HB TYR 53 -10.266 2.150 -4.625 384 2HB TYR 53 2HB TYR 53 -10.659 0.551 -4.005 385 HD1 TYR 53 HD1 TYR 53 -12.081 0.498 -1.816 386 HD2 TYR 53 HD2 TYR 53 -11.830 3.852 -4.421 387 HE1 TYR 53 HE1 TYR 53 -14.214 1.341 -0.927 388 HE2 TYR 53 HE2 TYR 53 -13.959 4.705 -3.537 389 HH TYR 53 HH TYR 53 -15.908 2.824 -1.300 390 H GLY 54 H GLY 54 -7.360 0.701 -1.545 391 1HA GLY 54 1HA GLY 54 -5.797 0.136 -3.936 392 2HA GLY 54 2HA GLY 54 -6.394 -1.298 -3.131 393 H ILE 55 H ILE 55 -4.036 -1.630 -3.288 394 HA ILE 55 HA ILE 55 -2.852 -1.331 -0.695 395 HB ILE 55 HB ILE 55 -2.476 -3.320 -2.215 396 1HG1 ILE 55 1HG1 ILE 55 -0.008 -1.808 -1.322 397 2HG1 ILE 55 2HG1 ILE 55 -0.982 -2.882 -0.323 398 1HG2 ILE 55 1HG2 ILE 55 -2.242 -2.056 -4.303 399 2HG2 ILE 55 2HG2 ILE 55 -0.719 -1.383 -3.722 400 3HG2 ILE 55 3HG2 ILE 55 -0.858 -3.115 -4.025 401 1HD1 ILE 55 1HD1 ILE 55 -0.189 -4.303 -2.648 402 2HD1 ILE 55 2HD1 ILE 55 1.230 -3.519 -1.952 403 3HD1 ILE 55 3HD1 ILE 55 0.246 -4.599 -0.964 404 H LEU 56 H LEU 56 -2.949 0.415 -3.610 405 HA LEU 56 HA LEU 56 -0.735 2.149 -2.755 406 1HB LEU 56 1HB LEU 56 -1.224 0.937 -5.277 407 2HB LEU 56 2HB LEU 56 -1.533 2.651 -5.470 408 HG LEU 56 HG LEU 56 0.718 2.475 -6.051 409 1HD1 LEU 56 1HD1 LEU 56 0.217 4.083 -4.107 410 2HD1 LEU 56 2HD1 LEU 56 1.081 2.916 -3.107 411 3HD1 LEU 56 3HD1 LEU 56 1.900 3.693 -4.462 412 1HD2 LEU 56 1HD2 LEU 56 1.024 0.532 -3.762 413 2HD2 LEU 56 2HD2 LEU 56 1.046 0.156 -5.484 414 3HD2 LEU 56 3HD2 LEU 56 2.345 1.116 -4.775 415 H GLN 57 H GLN 57 -3.902 1.869 -2.485 416 HA GLN 57 HA GLN 57 -5.594 3.271 -2.014 417 1HB GLN 57 1HB GLN 57 -3.513 5.446 -2.262 418 2HB GLN 57 2HB GLN 57 -5.111 5.630 -1.552 419 1HG GLN 57 1HG GLN 57 -4.359 3.732 0.034 420 2HG GLN 57 2HG GLN 57 -2.735 4.159 -0.499 421 2HE2 GLN 57 2HE2 GLN 57 -2.668 6.781 -0.637 422 1HE2 GLN 57 1HE2 GLN 57 -3.046 7.521 0.878 423 H ILE 58 H ILE 58 -6.351 2.544 -4.241 424 HA ILE 58 HA ILE 58 -6.054 4.538 -6.318 425 HB ILE 58 HB ILE 58 -7.913 2.175 -6.421 426 1HG1 ILE 58 1HG1 ILE 58 -5.841 1.195 -5.748 427 2HG1 ILE 58 2HG1 ILE 58 -5.973 0.948 -7.485 428 1HG2 ILE 58 1HG2 ILE 58 -7.668 4.148 -8.167 429 2HG2 ILE 58 2HG2 ILE 58 -6.316 3.161 -8.722 430 3HG2 ILE 58 3HG2 ILE 58 -7.944 2.483 -8.679 431 1HD1 ILE 58 1HD1 ILE 58 -4.493 2.913 -7.814 432 2HD1 ILE 58 2HD1 ILE 58 -4.279 2.986 -6.064 433 3HD1 ILE 58 3HD1 ILE 58 -3.729 1.571 -6.961 434 H ASN 59 H ASN 59 -7.090 6.375 -5.621 435 HA ASN 59 HA ASN 59 -9.590 6.415 -4.347 436 1HB ASN 59 1HB ASN 59 -8.001 8.300 -4.290 437 2HB ASN 59 2HB ASN 59 -8.268 8.571 -6.010 438 2HD2 ASN 59 2HD2 ASN 59 -8.864 10.724 -5.312 439 1HD2 ASN 59 1HD2 ASN 59 -10.476 11.020 -4.765 440 H SER 60 H SER 60 -11.197 5.298 -5.349 441 HA SER 60 HA SER 60 -11.656 5.217 -8.114 442 1HB SER 60 1HB SER 60 -13.640 4.076 -7.616 443 2HB SER 60 2HB SER 60 -12.613 3.724 -6.226 444 HG SER 60 HG SER 60 -13.704 5.682 -5.297 445 H ARG 61 H ARG 61 -11.948 7.846 -6.088 446 HA ARG 61 HA ARG 61 -14.238 9.031 -7.452 447 1HB ARG 61 1HB ARG 61 -13.932 9.332 -5.004 448 2HB ARG 61 2HB ARG 61 -12.442 10.208 -5.322 449 1HG ARG 61 1HG ARG 61 -13.871 11.957 -5.081 450 2HG ARG 61 2HG ARG 61 -14.032 11.686 -6.817 451 1HD ARG 61 1HD ARG 61 -16.232 11.613 -6.400 452 2HD ARG 61 2HD ARG 61 -15.906 9.981 -5.817 453 HE ARG 61 HE ARG 61 -15.991 10.790 -3.595 454 1HH1 ARG 61 1HH1 ARG 61 -16.749 13.214 -5.981 455 2HH1 ARG 61 2HH1 ARG 61 -17.517 14.275 -4.846 456 1HH2 ARG 61 1HH2 ARG 61 -17.001 12.179 -2.095 457 2HH2 ARG 61 2HH2 ARG 61 -17.659 13.686 -2.638 458 H TRP 62 H TRP 62 -10.761 9.640 -7.044 459 HA TRP 62 HA TRP 62 -10.850 11.688 -9.116 460 1HB TRP 62 1HB TRP 62 -8.995 10.948 -6.957 461 2HB TRP 62 2HB TRP 62 -8.204 11.421 -8.457 462 HD1 TRP 62 HD1 TRP 62 -10.377 13.702 -9.262 463 HE1 TRP 62 HE1 TRP 62 -10.325 15.932 -7.978 464 HE3 TRP 62 HE3 TRP 62 -7.890 12.168 -5.067 465 HZ2 TRP 62 HZ2 TRP 62 -9.357 16.912 -5.515 466 HZ3 TRP 62 HZ3 TRP 62 -7.439 13.814 -3.294 467 HH2 TRP 62 HH2 TRP 62 -8.158 16.137 -3.516 468 H TRP 63 H TRP 63 -10.389 8.374 -8.869 469 HA TRP 63 HA TRP 63 -9.318 8.264 -11.593 470 1HB TRP 63 1HB TRP 63 -8.279 6.484 -9.372 471 2HB TRP 63 2HB TRP 63 -7.742 6.511 -11.047 472 HD1 TRP 63 HD1 TRP 63 -6.685 7.706 -7.775 473 HE1 TRP 63 HE1 TRP 63 -4.952 9.599 -8.004 474 HE3 TRP 63 HE3 TRP 63 -7.385 8.826 -12.687 475 HZ2 TRP 63 HZ2 TRP 63 -4.010 11.349 -10.028 476 HZ3 TRP 63 HZ3 TRP 63 -6.072 10.614 -13.704 477 HH2 TRP 63 HH2 TRP 63 -4.401 11.857 -12.406 478 H CYS 64 H CYS 64 -9.713 6.225 -12.640 479 HA CYS 64 HA CYS 64 -11.169 4.666 -13.385 480 1HB CYS 64 1HB CYS 64 -11.101 2.712 -12.146 481 2HB CYS 64 2HB CYS 64 -9.742 3.606 -11.479 482 H ASN 65 H ASN 65 -13.244 3.931 -13.603 483 HA ASN 65 HA ASN 65 -15.240 5.516 -12.155 484 1HB ASN 65 1HB ASN 65 -15.027 5.210 -14.782 485 2HB ASN 65 2HB ASN 65 -15.957 3.752 -14.456 486 2HD2 ASN 65 2HD2 ASN 65 -17.090 5.559 -16.034 487 1HD2 ASN 65 1HD2 ASN 65 -18.356 6.405 -15.217 488 H ASP 66 H ASP 66 -15.855 4.535 -10.330 489 HA ASP 66 HA ASP 66 -16.025 1.655 -10.139 490 1HB ASP 66 1HB ASP 66 -16.781 2.130 -7.796 491 2HB ASP 66 2HB ASP 66 -15.208 2.810 -8.202 492 H GLY 67 H GLY 67 -18.135 4.253 -10.879 493 1HA GLY 67 1HA GLY 67 -20.306 2.426 -11.370 494 2HA GLY 67 2HA GLY 67 -20.311 4.157 -11.671 495 H ARG 68 H ARG 68 -19.333 3.297 -8.527 496 HA ARG 68 HA ARG 68 -22.046 3.515 -7.452 497 1HB ARG 68 1HB ARG 68 -21.006 2.880 -5.296 498 2HB ARG 68 2HB ARG 68 -20.725 1.692 -6.562 499 1HG ARG 68 1HG ARG 68 -18.528 3.272 -6.810 500 2HG ARG 68 2HG ARG 68 -18.827 3.344 -5.072 501 1HD ARG 68 1HD ARG 68 -18.506 0.850 -6.737 502 2HD ARG 68 2HD ARG 68 -17.330 1.507 -5.599 503 HE ARG 68 HE ARG 68 -18.935 1.003 -3.823 504 1HH1 ARG 68 1HH1 ARG 68 -19.376 -0.549 -6.911 505 2HH1 ARG 68 2HH1 ARG 68 -20.279 -1.877 -6.260 506 1HH2 ARG 68 1HH2 ARG 68 -20.121 -0.741 -2.956 507 2HH2 ARG 68 2HH2 ARG 68 -20.702 -1.985 -4.012 508 H THR 69 H THR 69 -19.941 5.629 -8.495 509 HA THR 69 HA THR 69 -20.206 7.483 -6.222 510 HB THR 69 HB THR 69 -18.250 7.503 -8.531 511 HG1 THR 69 HG1 THR 69 -18.111 6.192 -6.351 512 1HG2 THR 69 1HG2 THR 69 -19.080 9.786 -7.754 513 2HG2 THR 69 2HG2 THR 69 -18.277 9.435 -6.224 514 3HG2 THR 69 3HG2 THR 69 -17.338 9.519 -7.714 515 HA PRO 70 HA PRO 70 -23.333 9.813 -8.326 516 1HB PRO 70 1HB PRO 70 -21.741 12.131 -7.314 517 2HB PRO 70 2HB PRO 70 -23.480 11.831 -7.212 518 1HG PRO 70 1HG PRO 70 -21.918 11.448 -5.094 519 2HG PRO 70 2HG PRO 70 -23.253 10.337 -5.452 520 1HD PRO 70 1HD PRO 70 -20.322 9.956 -5.805 521 2HD PRO 70 2HD PRO 70 -21.578 8.765 -5.410 522 H GLY 71 H GLY 71 -19.927 10.259 -8.877 523 1HA GLY 71 1HA GLY 71 -19.705 12.194 -10.757 524 2HA GLY 71 2HA GLY 71 -20.436 10.872 -11.654 525 H SER 72 H SER 72 -17.668 11.699 -9.617 526 HA SER 72 HA SER 72 -15.528 10.885 -9.513 527 1HB SER 72 1HB SER 72 -16.410 8.618 -9.379 528 2HB SER 72 2HB SER 72 -16.649 8.575 -11.125 529 HG SER 72 HG SER 72 -14.104 9.240 -10.520 530 H ARG 73 H ARG 73 -13.646 11.119 -10.766 531 HA ARG 73 HA ARG 73 -13.987 12.615 -13.157 532 1HB ARG 73 1HB ARG 73 -12.002 12.360 -11.263 533 2HB ARG 73 2HB ARG 73 -11.290 11.594 -12.676 534 1HG ARG 73 1HG ARG 73 -10.628 13.723 -13.063 535 2HG ARG 73 2HG ARG 73 -12.205 13.789 -13.853 536 1HD ARG 73 1HD ARG 73 -13.051 14.504 -11.498 537 2HD ARG 73 2HD ARG 73 -11.358 14.904 -11.211 538 HE ARG 73 HE ARG 73 -13.184 16.236 -13.047 539 1HH1 ARG 73 1HH1 ARG 73 -9.939 15.879 -11.830 540 2HH1 ARG 73 2HH1 ARG 73 -9.404 17.410 -12.437 541 1HH2 ARG 73 1HH2 ARG 73 -12.489 18.254 -13.850 542 2HH2 ARG 73 2HH2 ARG 73 -10.855 18.760 -13.586 543 H ASN 74 H ASN 74 -12.736 9.359 -12.495 544 HA ASN 74 HA ASN 74 -12.454 7.522 -13.834 545 1HB ASN 74 1HB ASN 74 -14.824 8.137 -14.539 546 2HB ASN 74 2HB ASN 74 -14.112 8.979 -15.912 547 2HD2 ASN 74 2HD2 ASN 74 -15.239 7.567 -17.298 548 1HD2 ASN 74 1HD2 ASN 74 -14.680 5.957 -17.580 549 H LEU 75 H LEU 75 -10.712 9.817 -13.847 550 HA LEU 75 HA LEU 75 -9.689 10.572 -16.314 551 1HB LEU 75 1HB LEU 75 -8.790 10.329 -13.521 552 2HB LEU 75 2HB LEU 75 -7.516 10.431 -14.713 553 HG LEU 75 HG LEU 75 -9.764 12.427 -14.299 554 1HD1 LEU 75 1HD1 LEU 75 -8.044 12.349 -12.492 555 2HD1 LEU 75 2HD1 LEU 75 -6.833 12.778 -13.699 556 3HD1 LEU 75 3HD1 LEU 75 -8.149 13.895 -13.336 557 1HD2 LEU 75 1HD2 LEU 75 -8.022 12.003 -16.524 558 2HD2 LEU 75 2HD2 LEU 75 -9.278 13.223 -16.313 559 3HD2 LEU 75 3HD2 LEU 75 -7.632 13.549 -15.770 560 H CYS 76 H CYS 76 -8.464 8.289 -14.084 561 HA CYS 76 HA CYS 76 -6.514 7.030 -15.572 562 1HB CYS 76 1HB CYS 76 -7.632 6.832 -13.083 563 2HB CYS 76 2HB CYS 76 -8.018 5.277 -13.806 564 H ASN 77 H ASN 77 -9.957 6.498 -15.369 565 HA ASN 77 HA ASN 77 -11.449 5.275 -16.593 566 1HB ASN 77 1HB ASN 77 -10.067 6.655 -18.398 567 2HB ASN 77 2HB ASN 77 -9.520 5.047 -18.864 568 2HD2 ASN 77 2HD2 ASN 77 -11.466 7.234 -19.907 569 1HD2 ASN 77 1HD2 ASN 77 -12.831 6.308 -20.421 570 H ILE 78 H ILE 78 -10.162 3.811 -14.823 571 HA ILE 78 HA ILE 78 -9.528 1.328 -16.245 572 HB ILE 78 HB ILE 78 -7.701 0.928 -15.004 573 1HG1 ILE 78 1HG1 ILE 78 -9.418 1.887 -12.780 574 2HG1 ILE 78 2HG1 ILE 78 -8.412 0.448 -12.882 575 1HG2 ILE 78 1HG2 ILE 78 -7.696 3.390 -15.830 576 2HG2 ILE 78 2HG2 ILE 78 -7.763 3.773 -14.111 577 3HG2 ILE 78 3HG2 ILE 78 -6.420 2.826 -14.751 578 1HD1 ILE 78 1HD1 ILE 78 -6.435 2.052 -12.636 579 2HD1 ILE 78 2HD1 ILE 78 -7.637 3.232 -12.116 580 3HD1 ILE 78 3HD1 ILE 78 -7.428 1.731 -11.215 581 HA PRO 79 HA PRO 79 -12.646 -0.563 -13.717 582 1HB PRO 79 1HB PRO 79 -11.303 -3.109 -13.625 583 2HB PRO 79 2HB PRO 79 -12.649 -2.631 -14.659 584 1HG PRO 79 1HG PRO 79 -10.110 -3.183 -15.568 585 2HG PRO 79 2HG PRO 79 -11.285 -2.172 -16.425 586 1HD PRO 79 1HD PRO 79 -8.959 -1.360 -14.729 587 2HD PRO 79 2HD PRO 79 -9.581 -0.624 -16.223 588 H CYS 80 H CYS 80 -12.657 0.107 -11.628 589 HA CYS 80 HA CYS 80 -10.464 0.061 -9.905 590 1HB CYS 80 1HB CYS 80 -13.268 0.000 -8.856 591 2HB CYS 80 2HB CYS 80 -11.887 0.938 -8.293 592 H SER 81 H SER 81 -13.382 -2.003 -9.682 593 HA SER 81 HA SER 81 -12.501 -3.686 -7.681 594 1HB SER 81 1HB SER 81 -14.028 -5.421 -8.889 595 2HB SER 81 2HB SER 81 -14.748 -3.943 -8.252 596 HG SER 81 HG SER 81 -15.428 -3.665 -10.215 597 H ALA 82 H ALA 82 -11.468 -3.590 -10.986 598 HA ALA 82 HA ALA 82 -10.480 -6.239 -11.198 599 1HB ALA 82 1HB ALA 82 -10.893 -4.868 -13.162 600 2HB ALA 82 2HB ALA 82 -9.214 -5.411 -13.124 601 3HB ALA 82 3HB ALA 82 -9.616 -3.755 -12.671 602 H LEU 83 H LEU 83 -9.510 -3.823 -9.185 603 HA LEU 83 HA LEU 83 -6.706 -4.723 -9.161 604 1HB LEU 83 1HB LEU 83 -6.038 -2.664 -8.389 605 2HB LEU 83 2HB LEU 83 -7.385 -2.218 -9.417 606 HG LEU 83 HG LEU 83 -8.642 -2.514 -7.018 607 1HD1 LEU 83 1HD1 LEU 83 -5.853 -2.331 -6.430 608 2HD1 LEU 83 2HD1 LEU 83 -6.669 -0.874 -5.861 609 3HD1 LEU 83 3HD1 LEU 83 -7.218 -2.460 -5.321 610 1HD2 LEU 83 1HD2 LEU 83 -7.653 -0.305 -8.662 611 2HD2 LEU 83 2HD2 LEU 83 -9.245 -0.571 -7.954 612 3HD2 LEU 83 3HD2 LEU 83 -7.950 0.122 -6.977 613 H LEU 84 H LEU 84 -9.650 -4.925 -7.511 614 HA LEU 84 HA LEU 84 -8.357 -5.550 -4.960 615 1HB LEU 84 1HB LEU 84 -11.314 -5.516 -5.302 616 2HB LEU 84 2HB LEU 84 -10.343 -5.039 -3.921 617 HG LEU 84 HG LEU 84 -10.209 -3.418 -6.423 618 1HD1 LEU 84 1HD1 LEU 84 -12.639 -3.940 -5.207 619 2HD1 LEU 84 2HD1 LEU 84 -12.135 -2.397 -4.519 620 3HD1 LEU 84 3HD1 LEU 84 -12.262 -2.583 -6.268 621 1HD2 LEU 84 1HD2 LEU 84 -8.810 -3.205 -4.204 622 2HD2 LEU 84 2HD2 LEU 84 -9.369 -1.775 -5.074 623 3HD2 LEU 84 3HD2 LEU 84 -10.244 -2.340 -3.650 624 H SER 85 H SER 85 -8.022 -7.365 -7.075 625 HA SER 85 HA SER 85 -9.486 -9.668 -5.997 626 1HB SER 85 1HB SER 85 -8.858 -9.156 -8.914 627 2HB SER 85 2HB SER 85 -9.492 -10.676 -8.284 628 HG SER 85 HG SER 85 -10.951 -8.517 -7.483 629 H SER 86 H SER 86 -7.051 -8.682 -5.219 630 HA SER 86 HA SER 86 -5.003 -9.436 -4.545 631 1HB SER 86 1HB SER 86 -6.304 -11.874 -5.543 632 2HB SER 86 2HB SER 86 -4.547 -11.909 -5.697 633 HG SER 86 HG SER 86 -5.511 -12.661 -3.637 634 H ASP 87 H ASP 87 -5.738 -8.129 -7.056 635 HA ASP 87 HA ASP 87 -3.329 -8.702 -8.641 636 1HB ASP 87 1HB ASP 87 -5.585 -9.339 -9.596 637 2HB ASP 87 2HB ASP 87 -5.958 -7.622 -9.633 638 H ILE 88 H ILE 88 -1.908 -7.052 -8.514 639 HA ILE 88 HA ILE 88 -2.837 -4.411 -7.748 640 HB ILE 88 HB ILE 88 -0.235 -3.980 -8.131 641 1HG1 ILE 88 1HG1 ILE 88 -0.209 -6.856 -7.246 642 2HG1 ILE 88 2HG1 ILE 88 -0.058 -6.423 -8.945 643 1HG2 ILE 88 1HG2 ILE 88 -1.859 -4.875 -5.870 644 2HG2 ILE 88 2HG2 ILE 88 -0.123 -5.099 -5.660 645 3HG2 ILE 88 3HG2 ILE 88 -0.768 -3.497 -6.016 646 1HD1 ILE 88 1HD1 ILE 88 1.776 -4.813 -7.574 647 2HD1 ILE 88 2HD1 ILE 88 1.929 -6.432 -6.892 648 3HD1 ILE 88 3HD1 ILE 88 2.114 -6.186 -8.629 649 H THR 89 H THR 89 -2.500 -6.063 -10.614 650 HA THR 89 HA THR 89 -1.231 -4.403 -12.378 651 HB THR 89 HB THR 89 -3.858 -5.722 -13.051 652 HG1 THR 89 HG1 THR 89 -1.653 -6.879 -12.057 653 1HG2 THR 89 1HG2 THR 89 -2.434 -4.216 -14.661 654 2HG2 THR 89 2HG2 THR 89 -1.432 -5.661 -14.792 655 3HG2 THR 89 3HG2 THR 89 -3.136 -5.726 -15.241 656 H ALA 90 H ALA 90 -4.728 -4.237 -11.618 657 HA ALA 90 HA ALA 90 -5.202 -1.944 -13.095 658 1HB ALA 90 1HB ALA 90 -6.677 -3.595 -11.227 659 2HB ALA 90 2HB ALA 90 -7.139 -1.895 -11.157 660 3HB ALA 90 3HB ALA 90 -7.224 -2.769 -12.686 661 H SER 91 H SER 91 -4.544 -2.329 -9.625 662 HA SER 91 HA SER 91 -4.817 0.392 -8.934 663 1HB SER 91 1HB SER 91 -2.943 -0.692 -7.168 664 2HB SER 91 2HB SER 91 -4.688 -0.615 -6.933 665 HG SER 91 HG SER 91 -4.065 -2.741 -6.734 666 H VAL 92 H VAL 92 -2.132 -1.465 -10.127 667 HA VAL 92 HA VAL 92 -0.249 0.652 -9.686 668 HB VAL 92 HB VAL 92 0.031 -1.876 -11.307 669 1HG1 VAL 92 1HG1 VAL 92 1.934 0.428 -10.911 670 2HG1 VAL 92 2HG1 VAL 92 2.499 -1.189 -11.332 671 3HG1 VAL 92 3HG1 VAL 92 1.419 -0.319 -12.423 672 1HG2 VAL 92 1HG2 VAL 92 0.677 -1.045 -8.547 673 2HG2 VAL 92 2HG2 VAL 92 0.285 -2.640 -9.190 674 3HG2 VAL 92 3HG2 VAL 92 1.913 -1.988 -9.379 675 H ASN 93 H ASN 93 -1.822 -0.692 -12.590 676 HA ASN 93 HA ASN 93 -0.726 0.861 -14.476 677 1HB ASN 93 1HB ASN 93 -2.194 -0.253 -15.692 678 2HB ASN 93 2HB ASN 93 -3.000 -0.742 -14.224 679 2HD2 ASN 93 2HD2 ASN 93 -4.958 0.070 -13.751 680 1HD2 ASN 93 1HD2 ASN 93 -5.780 1.257 -14.698 681 H CYS 94 H CYS 94 -3.207 1.699 -12.185 682 HA CYS 94 HA CYS 94 -3.807 4.246 -13.271 683 1HB CYS 94 1HB CYS 94 -5.058 2.767 -11.453 684 2HB CYS 94 2HB CYS 94 -4.112 3.758 -10.346 685 H ALA 95 H ALA 95 -1.692 3.198 -10.590 686 HA ALA 95 HA ALA 95 -0.758 5.845 -10.064 687 1HB ALA 95 1HB ALA 95 -0.555 4.367 -8.284 688 2HB ALA 95 2HB ALA 95 0.280 3.161 -9.266 689 3HB ALA 95 3HB ALA 95 1.093 4.666 -8.835 690 H LYS 96 H LYS 96 0.334 3.243 -12.149 691 HA LYS 96 HA LYS 96 2.871 4.116 -12.807 692 1HB LYS 96 1HB LYS 96 1.712 1.998 -13.610 693 2HB LYS 96 2HB LYS 96 0.881 2.998 -14.794 694 1HG LYS 96 1HG LYS 96 2.722 3.247 -16.083 695 2HG LYS 96 2HG LYS 96 3.826 3.214 -14.707 696 1HD LYS 96 1HD LYS 96 4.333 1.176 -15.563 697 2HD LYS 96 2HD LYS 96 2.933 0.693 -14.604 698 1HE LYS 96 1HE LYS 96 1.526 1.084 -16.647 699 2HE LYS 96 2HE LYS 96 3.023 1.295 -17.554 700 1HZ LYS 96 1HZ LYS 96 3.652 -0.975 -16.696 701 2HZ LYS 96 2HZ LYS 96 2.048 -1.146 -16.192 702 3HZ LYS 96 3HZ LYS 96 2.402 -0.936 -17.833 703 H LYS 97 H LYS 97 -0.294 5.022 -13.802 704 HA LYS 97 HA LYS 97 0.501 7.050 -15.700 705 1HB LYS 97 1HB LYS 97 -1.680 5.731 -15.778 706 2HB LYS 97 2HB LYS 97 -2.224 6.728 -14.437 707 1HG LYS 97 1HG LYS 97 -1.302 8.554 -16.305 708 2HG LYS 97 2HG LYS 97 -2.126 7.321 -17.263 709 1HD LYS 97 1HD LYS 97 -4.049 7.542 -15.618 710 2HD LYS 97 2HD LYS 97 -3.237 8.991 -15.020 711 1HE LYS 97 1HE LYS 97 -3.795 10.204 -16.833 712 2HE LYS 97 2HE LYS 97 -3.541 8.854 -17.939 713 1HZ LYS 97 1HZ LYS 97 -5.689 7.940 -17.128 714 2HZ LYS 97 2HZ LYS 97 -5.937 9.374 -16.266 715 3HZ LYS 97 3HZ LYS 97 -5.840 9.407 -17.955 716 H ILE 98 H ILE 98 -0.343 6.836 -12.317 717 HA ILE 98 HA ILE 98 -0.768 9.560 -11.813 718 HB ILE 98 HB ILE 98 0.161 7.377 -9.972 719 1HG1 ILE 98 1HG1 ILE 98 -2.501 8.806 -10.214 720 2HG1 ILE 98 2HG1 ILE 98 -2.152 7.227 -10.908 721 1HG2 ILE 98 1HG2 ILE 98 0.084 10.255 -9.574 722 2HG2 ILE 98 2HG2 ILE 98 -0.912 9.385 -8.408 723 3HG2 ILE 98 3HG2 ILE 98 0.800 8.994 -8.570 724 1HD1 ILE 98 1HD1 ILE 98 -1.566 6.547 -8.495 725 2HD1 ILE 98 2HD1 ILE 98 -2.457 7.999 -8.041 726 3HD1 ILE 98 3HD1 ILE 98 -3.263 6.719 -8.947 727 H VAL 99 H VAL 99 2.103 7.556 -11.495 728 HA VAL 99 HA VAL 99 3.830 9.714 -10.793 729 HB VAL 99 HB VAL 99 4.151 7.229 -10.249 730 1HG1 VAL 99 1HG1 VAL 99 4.092 6.816 -12.882 731 2HG1 VAL 99 2HG1 VAL 99 5.830 7.041 -12.678 732 3HG1 VAL 99 3HG1 VAL 99 4.993 5.778 -11.776 733 1HG2 VAL 99 1HG2 VAL 99 5.745 9.094 -9.783 734 2HG2 VAL 99 2HG2 VAL 99 6.506 7.519 -10.006 735 3HG2 VAL 99 3HG2 VAL 99 6.548 8.712 -11.306 736 H SER 100 H SER 100 2.656 8.432 -13.763 737 HA SER 100 HA SER 100 4.816 9.574 -15.345 738 1HB SER 100 1HB SER 100 3.734 7.433 -16.028 739 2HB SER 100 2HB SER 100 2.222 8.309 -16.268 740 HG SER 100 HG SER 100 4.159 7.988 -18.000 741 H ASP 101 H ASP 101 2.008 10.592 -13.882 742 HA ASP 101 HA ASP 101 1.479 12.722 -15.829 743 1HB ASP 101 1HB ASP 101 -0.328 11.209 -14.627 744 2HB ASP 101 2HB ASP 101 -0.138 12.392 -13.337 745 H GLY 102 H GLY 102 3.312 12.181 -13.116 746 1HA GLY 102 1HA GLY 102 3.393 15.074 -12.526 747 2HA GLY 102 2HA GLY 102 4.779 14.000 -12.419 748 H ASN 103 H ASN 103 4.226 12.016 -10.886 749 HA ASN 103 HA ASN 103 3.862 13.159 -8.294 750 1HB ASN 103 1HB ASN 103 1.588 11.874 -9.604 751 2HB ASN 103 2HB ASN 103 1.985 11.138 -8.054 752 2HD2 ASN 103 2HD2 ASN 103 -0.202 12.980 -9.125 753 1HD2 ASN 103 1HD2 ASN 103 -0.305 14.223 -7.928 754 H GLY 104 H GLY 104 5.788 12.290 -7.686 755 1HA GLY 104 1HA GLY 104 7.386 10.682 -7.224 756 2HA GLY 104 2HA GLY 104 6.498 9.563 -8.248 757 H MET 105 H MET 105 7.735 9.334 -5.515 758 HA MET 105 HA MET 105 5.606 7.806 -4.323 759 1HB MET 105 1HB MET 105 8.167 8.315 -2.885 760 2HB MET 105 2HB MET 105 7.231 6.832 -3.011 761 1HG MET 105 1HG MET 105 8.936 8.023 -5.187 762 2HG MET 105 2HG MET 105 9.377 6.663 -4.157 763 1HE MET 105 1HE MET 105 7.248 4.789 -3.834 764 2HE MET 105 2HE MET 105 5.896 5.807 -4.329 765 3HE MET 105 3HE MET 105 6.239 4.311 -5.199 766 H ASN 106 H ASN 106 6.389 10.974 -4.363 767 HA ASN 106 HA ASN 106 6.066 11.663 -1.615 768 1HB ASN 106 1HB ASN 106 5.590 13.640 -3.794 769 2HB ASN 106 2HB ASN 106 6.490 13.811 -2.294 770 2HD2 ASN 106 2HD2 ASN 106 8.508 12.467 -2.168 771 1HD2 ASN 106 1HD2 ASN 106 9.484 12.401 -3.591 772 H ALA 107 H ALA 107 3.952 11.444 -4.427 773 HA ALA 107 HA ALA 107 1.743 12.853 -3.582 774 1HB ALA 107 1HB ALA 107 2.163 11.550 -5.776 775 2HB ALA 107 2HB ALA 107 0.511 11.695 -5.176 776 3HB ALA 107 3HB ALA 107 1.411 10.199 -4.930 777 H TRP 108 H TRP 108 2.536 9.467 -2.899 778 HA TRP 108 HA TRP 108 0.282 9.146 -1.145 779 1HB TRP 108 1HB TRP 108 2.663 7.346 -1.656 780 2HB TRP 108 2HB TRP 108 1.231 6.897 -0.730 781 HD1 TRP 108 HD1 TRP 108 -1.078 6.587 -2.121 782 HE1 TRP 108 HE1 TRP 108 -1.502 6.028 -4.598 783 HE3 TRP 108 HE3 TRP 108 3.552 7.660 -4.000 784 HZ2 TRP 108 HZ2 TRP 108 -0.063 6.042 -7.040 785 HZ3 TRP 108 HZ3 TRP 108 3.946 7.365 -6.408 786 HH2 TRP 108 HH2 TRP 108 2.178 6.570 -7.893 787 H VAL 109 H VAL 109 0.196 9.429 0.971 788 HA VAL 109 HA VAL 109 2.271 10.826 2.314 789 HB VAL 109 HB VAL 109 0.191 9.738 3.974 790 1HG1 VAL 109 1HG1 VAL 109 1.869 11.655 4.387 791 2HG1 VAL 109 2HG1 VAL 109 0.720 12.626 3.467 792 3HG1 VAL 109 3HG1 VAL 109 0.209 11.832 4.956 793 1HG2 VAL 109 1HG2 VAL 109 -0.474 11.165 1.461 794 2HG2 VAL 109 2HG2 VAL 109 -1.361 9.891 2.299 795 3HG2 VAL 109 3HG2 VAL 109 -1.405 11.545 2.910 796 H ALA 110 H ALA 110 1.396 7.459 2.247 797 HA ALA 110 HA ALA 110 2.559 6.765 4.741 798 1HB ALA 110 1HB ALA 110 2.573 4.722 2.621 799 2HB ALA 110 2HB ALA 110 1.928 4.654 4.261 800 3HB ALA 110 3HB ALA 110 1.003 5.440 2.981 801 H TRP 111 H TRP 111 3.852 7.478 1.661 802 HA TRP 111 HA TRP 111 6.396 6.196 2.256 803 1HB TRP 111 1HB TRP 111 5.601 6.083 -0.050 804 2HB TRP 111 2HB TRP 111 5.562 7.835 -0.146 805 HD1 TRP 111 HD1 TRP 111 7.878 4.888 -0.483 806 HE1 TRP 111 HE1 TRP 111 10.215 5.701 -1.192 807 HE3 TRP 111 HE3 TRP 111 7.222 9.919 0.164 808 HZ2 TRP 111 HZ2 TRP 111 11.597 8.149 -1.445 809 HZ3 TRP 111 HZ3 TRP 111 9.102 11.425 -0.334 810 HH2 TRP 111 HH2 TRP 111 11.244 10.557 -1.120 811 H ARG 112 H ARG 112 4.967 9.442 2.141 812 HA ARG 112 HA ARG 112 7.534 10.639 2.824 813 1HB ARG 112 1HB ARG 112 4.992 11.546 1.708 814 2HB ARG 112 2HB ARG 112 5.652 12.627 2.926 815 1HG ARG 112 1HG ARG 112 7.845 12.108 1.389 816 2HG ARG 112 2HG ARG 112 6.545 12.104 0.195 817 1HD ARG 112 1HD ARG 112 7.089 14.332 0.220 818 2HD ARG 112 2HD ARG 112 5.819 14.294 1.443 819 HE ARG 112 HE ARG 112 8.641 14.105 2.239 820 1HH1 ARG 112 1HH1 ARG 112 5.577 15.765 2.293 821 2HH1 ARG 112 2HH1 ARG 112 6.042 16.851 3.559 822 1HH2 ARG 112 1HH2 ARG 112 9.261 15.532 3.905 823 2HH2 ARG 112 2HH2 ARG 112 8.137 16.718 4.475 824 H ASN 113 H ASN 113 6.635 8.907 4.750 825 HA ASN 113 HA ASN 113 6.317 10.713 6.993 826 1HB ASN 113 1HB ASN 113 3.992 9.820 6.037 827 2HB ASN 113 2HB ASN 113 4.409 8.427 7.031 828 2HD2 ASN 113 2HD2 ASN 113 3.350 11.683 6.988 829 1HD2 ASN 113 1HD2 ASN 113 3.123 11.868 8.690 830 H ARG 114 H ARG 114 5.942 7.240 6.355 831 HA ARG 114 HA ARG 114 7.825 6.696 8.532 832 1HB ARG 114 1HB ARG 114 5.559 5.234 7.298 833 2HB ARG 114 2HB ARG 114 6.892 4.271 7.908 834 1HG ARG 114 1HG ARG 114 5.980 4.402 9.922 835 2HG ARG 114 2HG ARG 114 6.335 6.131 9.919 836 1HD ARG 114 1HD ARG 114 4.178 6.647 9.730 837 2HD ARG 114 2HD ARG 114 3.973 5.549 8.365 838 HE ARG 114 HE ARG 114 3.136 3.960 9.800 839 1HH1 ARG 114 1HH1 ARG 114 4.567 6.553 11.635 840 2HH1 ARG 114 2HH1 ARG 114 3.939 5.998 13.151 841 1HH2 ARG 114 1HH2 ARG 114 2.305 3.223 11.790 842 2HH2 ARG 114 2HH2 ARG 114 2.654 4.105 13.240 843 H CYS 115 H CYS 115 7.945 7.101 5.284 844 HA CYS 115 HA CYS 115 10.017 5.037 4.945 845 1HB CYS 115 1HB CYS 115 7.945 5.026 3.434 846 2HB CYS 115 2HB CYS 115 8.638 6.457 2.681 847 H LYS 116 H LYS 116 9.221 8.411 4.118 848 HA LYS 116 HA LYS 116 11.633 9.091 2.919 849 1HB LYS 116 1HB LYS 116 9.461 10.443 3.076 850 2HB LYS 116 2HB LYS 116 10.051 10.989 4.641 851 1HG LYS 116 1HG LYS 116 12.202 11.568 3.203 852 2HG LYS 116 2HG LYS 116 10.999 11.651 1.914 853 1HD LYS 116 1HD LYS 116 9.801 13.362 2.999 854 2HD LYS 116 2HD LYS 116 10.632 13.083 4.531 855 1HE LYS 116 1HE LYS 116 11.844 14.872 3.884 856 2HE LYS 116 2HE LYS 116 12.736 13.663 2.961 857 1HZ LYS 116 1HZ LYS 116 10.468 14.589 1.519 858 2HZ LYS 116 2HZ LYS 116 11.459 15.885 1.967 859 3HZ LYS 116 3HZ LYS 116 12.099 14.600 1.070 860 H GLY 117 H GLY 117 13.434 8.303 3.963 861 1HA GLY 117 1HA GLY 117 13.910 9.309 6.694 862 2HA GLY 117 2HA GLY 117 15.116 9.525 5.435 863 H THR 118 H THR 118 13.846 6.633 4.673 864 HA THR 118 HA THR 118 15.714 5.185 6.431 865 HB THR 118 HB THR 118 14.284 3.202 6.181 866 HG1 THR 118 HG1 THR 118 12.660 3.192 4.811 867 1HG2 THR 118 1HG2 THR 118 13.936 5.046 7.973 868 2HG2 THR 118 2HG2 THR 118 12.467 5.413 7.069 869 3HG2 THR 118 3HG2 THR 118 12.696 3.810 7.767 870 H ASP 119 H ASP 119 15.151 2.729 4.802 871 HA ASP 119 HA ASP 119 16.483 3.431 2.301 872 1HB ASP 119 1HB ASP 119 17.994 2.584 4.243 873 2HB ASP 119 2HB ASP 119 17.392 1.035 3.700 874 H VAL 120 H VAL 120 15.073 2.822 0.794 875 HA VAL 120 HA VAL 120 13.292 0.612 1.129 876 HB VAL 120 HB VAL 120 12.644 1.077 -1.231 877 1HG1 VAL 120 1HG1 VAL 120 11.582 2.217 0.693 878 2HG1 VAL 120 2HG1 VAL 120 12.723 3.546 0.496 879 3HG1 VAL 120 3HG1 VAL 120 11.564 3.182 -0.783 880 1HG2 VAL 120 1HG2 VAL 120 14.976 2.927 -1.023 881 2HG2 VAL 120 2HG2 VAL 120 14.484 1.880 -2.355 882 3HG2 VAL 120 3HG2 VAL 120 13.606 3.377 -2.040 883 H GLN 121 H GLN 121 16.379 1.175 -0.393 884 HA GLN 121 HA GLN 121 16.482 -1.050 -2.096 885 1HB GLN 121 1HB GLN 121 18.661 0.435 -0.618 886 2HB GLN 121 2HB GLN 121 18.991 -0.849 -1.774 887 1HG GLN 121 1HG GLN 121 17.225 1.290 -2.741 888 2HG GLN 121 2HG GLN 121 18.886 1.772 -2.393 889 2HE2 GLN 121 2HE2 GLN 121 16.800 0.222 -4.569 890 1HE2 GLN 121 1HE2 GLN 121 17.991 -0.332 -5.693 891 H ALA 122 H ALA 122 16.663 -0.713 1.312 892 HA ALA 122 HA ALA 122 17.751 -3.379 1.734 893 1HB ALA 122 1HB ALA 122 17.760 -0.999 3.221 894 2HB ALA 122 2HB ALA 122 16.772 -2.140 4.132 895 3HB ALA 122 3HB ALA 122 18.426 -2.563 3.690 896 H TRP 123 H TRP 123 14.725 -1.761 1.482 897 HA TRP 123 HA TRP 123 13.130 -3.491 3.058 898 1HB TRP 123 1HB TRP 123 12.620 -1.507 0.902 899 2HB TRP 123 2HB TRP 123 11.350 -2.679 1.236 900 HD1 TRP 123 HD1 TRP 123 11.725 0.654 1.957 901 HE1 TRP 123 HE1 TRP 123 10.922 1.346 4.304 902 HE3 TRP 123 HE3 TRP 123 11.668 -3.915 4.216 903 HZ2 TRP 123 HZ2 TRP 123 10.352 0.086 6.752 904 HZ3 TRP 123 HZ3 TRP 123 10.984 -4.094 6.553 905 HH2 TRP 123 HH2 TRP 123 10.333 -2.111 7.809 906 H ILE 124 H ILE 124 14.715 -3.939 0.082 907 HA ILE 124 HA ILE 124 13.205 -6.430 -0.369 908 HB ILE 124 HB ILE 124 13.750 -6.179 -2.800 909 1HG1 ILE 124 1HG1 ILE 124 13.978 -3.393 -3.013 910 2HG1 ILE 124 2HG1 ILE 124 15.141 -3.856 -1.774 911 1HG2 ILE 124 1HG2 ILE 124 11.832 -4.585 -1.257 912 2HG2 ILE 124 2HG2 ILE 124 12.100 -4.029 -2.908 913 3HG2 ILE 124 3HG2 ILE 124 11.568 -5.684 -2.612 914 1HD1 ILE 124 1HD1 ILE 124 15.066 -5.385 -4.324 915 2HD1 ILE 124 2HD1 ILE 124 15.816 -3.790 -4.294 916 3HD1 ILE 124 3HD1 ILE 124 16.417 -5.066 -3.236 917 H ARG 125 H ARG 125 15.886 -5.487 0.911 918 HA ARG 125 HA ARG 125 17.978 -6.657 -0.580 919 1HB ARG 125 1HB ARG 125 17.819 -5.156 1.711 920 2HB ARG 125 2HB ARG 125 18.298 -6.727 2.337 921 1HG ARG 125 1HG ARG 125 20.296 -6.731 1.134 922 2HG ARG 125 2HG ARG 125 19.746 -5.460 0.041 923 1HD ARG 125 1HD ARG 125 20.955 -4.101 1.353 924 2HD ARG 125 2HD ARG 125 19.581 -4.211 2.451 925 HE ARG 125 HE ARG 125 22.108 -5.688 2.693 926 1HH1 ARG 125 1HH1 ARG 125 19.052 -4.668 4.020 927 2HH1 ARG 125 2HH1 ARG 125 19.429 -5.194 5.627 928 1HH2 ARG 125 1HH2 ARG 125 22.612 -6.383 4.805 929 2HH2 ARG 125 2HH2 ARG 125 21.452 -6.168 6.073 930 H GLY 126 H GLY 126 17.722 -8.722 -1.248 931 1HA GLY 126 1HA GLY 126 17.424 -10.757 0.864 932 2HA GLY 126 2HA GLY 126 18.297 -10.995 -0.641 933 H CYS 127 H CYS 127 15.590 -9.297 -1.412 934 HA CYS 127 HA CYS 127 13.606 -11.302 -1.369 935 1HB CYS 127 1HB CYS 127 13.893 -8.639 -2.505 936 2HB CYS 127 2HB CYS 127 12.687 -9.663 -3.257 937 H ARG 128 H ARG 128 13.283 -12.976 -2.679 938 HA ARG 128 HA ARG 128 15.061 -13.431 -4.893 939 1HB ARG 128 1HB ARG 128 13.280 -15.004 -3.252 940 2HB ARG 128 2HB ARG 128 13.025 -15.364 -4.954 941 1HG ARG 128 1HG ARG 128 15.061 -16.320 -5.201 942 2HG ARG 128 2HG ARG 128 15.828 -15.256 -4.020 943 1HD ARG 128 1HD ARG 128 13.988 -17.566 -3.401 944 2HD ARG 128 2HD ARG 128 15.741 -17.562 -3.216 945 HE ARG 128 HE ARG 128 14.181 -15.585 -1.730 946 1HH1 ARG 128 1HH1 ARG 128 16.100 -18.494 -1.750 947 2HH1 ARG 128 2HH1 ARG 128 16.370 -18.481 -0.039 948 1HH2 ARG 128 1HH2 ARG 128 14.532 -15.561 0.523 949 2HH2 ARG 128 2HH2 ARG 128 15.478 -16.814 1.253 950 H LEU 129 H LEU 129 14.575 -11.841 -6.409 951 HA LEU 129 HA LEU 129 12.253 -12.428 -8.050 952 1HB LEU 129 1HB LEU 129 11.361 -10.232 -8.070 953 2HB LEU 129 2HB LEU 129 11.544 -10.689 -6.388 954 HG LEU 129 HG LEU 129 13.930 -9.397 -6.985 955 1HD1 LEU 129 1HD1 LEU 129 12.373 -8.680 -9.050 956 2HD1 LEU 129 2HD1 LEU 129 11.897 -7.454 -7.875 957 3HD1 LEU 129 3HD1 LEU 129 13.591 -7.623 -8.337 958 1HD2 LEU 129 1HD2 LEU 129 12.101 -9.320 -5.041 959 2HD2 LEU 129 2HD2 LEU 129 13.342 -8.083 -5.235 960 3HD2 LEU 129 3HD2 LEU 129 11.712 -7.802 -5.850 No H/Q in entry = 960 Start of MODEL 23 1 H1 LYS 1 H1 LYS 1 -7.151 -9.675 2.312 2 H2 LYS 1 H2 LYS 1 -7.842 -10.089 0.824 3 H3 LYS 1 H3 LYS 1 -7.912 -11.174 2.120 4 HA LYS 1 HA LYS 1 -5.675 -11.700 2.003 5 1HB LYS 1 1HB LYS 1 -7.181 -12.469 0.093 6 2HB LYS 1 2HB LYS 1 -6.422 -11.218 -0.881 7 1HG LYS 1 1HG LYS 1 -4.318 -12.641 0.286 8 2HG LYS 1 2HG LYS 1 -5.486 -13.853 -0.241 9 1HD LYS 1 1HD LYS 1 -5.527 -12.420 -2.433 10 2HD LYS 1 2HD LYS 1 -3.958 -11.857 -1.852 11 1HE LYS 1 1HE LYS 1 -3.660 -13.740 -3.343 12 2HE LYS 1 2HE LYS 1 -3.199 -14.193 -1.703 13 1HZ LYS 1 1HZ LYS 1 -5.909 -14.745 -2.742 14 2HZ LYS 1 2HZ LYS 1 -4.628 -15.812 -3.025 15 3HZ LYS 1 3HZ LYS 1 -5.108 -15.472 -1.441 16 H VAL 2 H VAL 2 -3.927 -10.560 2.526 17 HA VAL 2 HA VAL 2 -3.282 -8.110 1.060 18 HB VAL 2 HB VAL 2 -2.237 -9.255 3.652 19 1HG1 VAL 2 1HG1 VAL 2 -0.672 -7.817 1.974 20 2HG1 VAL 2 2HG1 VAL 2 -1.436 -6.529 2.903 21 3HG1 VAL 2 3HG1 VAL 2 -0.526 -7.790 3.731 22 1HG2 VAL 2 1HG2 VAL 2 -4.410 -7.565 3.014 23 2HG2 VAL 2 2HG2 VAL 2 -3.820 -8.033 4.609 24 3HG2 VAL 2 3HG2 VAL 2 -3.193 -6.581 3.829 25 H PHE 3 H PHE 3 -1.275 -7.784 0.033 26 HA PHE 3 HA PHE 3 -0.034 -10.116 -1.062 27 1HB PHE 3 1HB PHE 3 0.458 -7.152 -1.277 28 2HB PHE 3 2HB PHE 3 1.596 -8.306 -1.954 29 HD1 PHE 3 HD1 PHE 3 0.287 -10.228 -3.388 30 HD2 PHE 3 HD2 PHE 3 -0.976 -6.219 -2.749 31 HE1 PHE 3 HE1 PHE 3 -1.038 -10.318 -5.456 32 HE2 PHE 3 HE2 PHE 3 -2.300 -6.297 -4.813 33 HZ PHE 3 HZ PHE 3 -2.335 -8.351 -6.174 34 H GLY 4 H GLY 4 2.338 -10.393 -0.992 35 1HA GLY 4 1HA GLY 4 4.043 -11.115 0.445 36 2HA GLY 4 2HA GLY 4 3.285 -10.216 1.753 37 H ARG 5 H ARG 5 6.063 -10.157 1.208 38 HA ARG 5 HA ARG 5 6.365 -7.297 0.740 39 1HB ARG 5 1HB ARG 5 7.511 -8.991 2.569 40 2HB ARG 5 2HB ARG 5 8.781 -8.844 1.363 41 1HG ARG 5 1HG ARG 5 9.102 -6.614 1.769 42 2HG ARG 5 2HG ARG 5 7.454 -6.372 2.352 43 1HD ARG 5 1HD ARG 5 8.969 -6.202 4.210 44 2HD ARG 5 2HD ARG 5 8.028 -7.684 4.374 45 HE ARG 5 HE ARG 5 10.812 -7.615 3.398 46 1HH1 ARG 5 1HH1 ARG 5 8.232 -9.100 5.210 47 2HH1 ARG 5 2HH1 ARG 5 9.198 -10.436 5.739 48 1HH2 ARG 5 1HH2 ARG 5 12.092 -9.370 4.089 49 2HH2 ARG 5 2HH2 ARG 5 11.393 -10.589 5.102 50 H CYS 6 H CYS 6 8.106 -10.234 -0.310 51 HA CYS 6 HA CYS 6 9.204 -8.781 -2.542 52 1HB CYS 6 1HB CYS 6 9.379 -11.758 -2.229 53 2HB CYS 6 2HB CYS 6 10.509 -10.643 -2.990 54 H GLU 7 H GLU 7 6.667 -11.156 -1.995 55 HA GLU 7 HA GLU 7 6.117 -12.025 -4.537 56 1HB GLU 7 1HB GLU 7 4.771 -12.078 -2.120 57 2HB GLU 7 2HB GLU 7 3.686 -11.155 -3.151 58 1HG GLU 7 1HG GLU 7 4.570 -13.393 -4.635 59 2HG GLU 7 2HG GLU 7 4.086 -13.963 -3.039 60 H LEU 8 H LEU 8 4.929 -9.047 -3.023 61 HA LEU 8 HA LEU 8 3.767 -8.029 -5.402 62 1HB LEU 8 1HB LEU 8 2.915 -7.172 -3.367 63 2HB LEU 8 2HB LEU 8 4.515 -6.758 -2.779 64 HG LEU 8 HG LEU 8 4.431 -5.204 -4.981 65 1HD1 LEU 8 1HD1 LEU 8 1.779 -6.105 -4.722 66 2HD1 LEU 8 2HD1 LEU 8 1.799 -4.419 -4.204 67 3HD1 LEU 8 3HD1 LEU 8 2.406 -4.860 -5.801 68 1HD2 LEU 8 1HD2 LEU 8 3.474 -4.648 -2.189 69 2HD2 LEU 8 2HD2 LEU 8 5.046 -4.295 -2.906 70 3HD2 LEU 8 3HD2 LEU 8 3.624 -3.381 -3.407 71 H ALA 9 H ALA 9 6.975 -7.664 -3.864 72 HA ALA 9 HA ALA 9 7.862 -5.534 -5.469 73 1HB ALA 9 1HB ALA 9 9.031 -6.252 -3.454 74 2HB ALA 9 2HB ALA 9 10.108 -6.182 -4.849 75 3HB ALA 9 3HB ALA 9 9.517 -7.739 -4.268 76 H ALA 10 H ALA 10 8.417 -9.040 -5.891 77 HA ALA 10 HA ALA 10 9.776 -8.964 -8.285 78 1HB ALA 10 1HB ALA 10 8.188 -11.186 -8.575 79 2HB ALA 10 2HB ALA 10 9.716 -11.131 -7.698 80 3HB ALA 10 3HB ALA 10 8.193 -10.945 -6.827 81 H ALA 11 H ALA 11 6.336 -8.698 -7.602 82 HA ALA 11 HA ALA 11 5.471 -8.769 -10.284 83 1HB ALA 11 1HB ALA 11 4.225 -7.810 -7.751 84 2HB ALA 11 2HB ALA 11 3.776 -9.192 -8.750 85 3HB ALA 11 3HB ALA 11 3.426 -7.554 -9.301 86 H MET 12 H MET 12 6.462 -6.252 -8.172 87 HA MET 12 HA MET 12 5.757 -3.994 -9.651 88 1HB MET 12 1HB MET 12 8.351 -4.183 -8.142 89 2HB MET 12 2HB MET 12 7.357 -2.771 -8.388 90 1HG MET 12 1HG MET 12 6.789 -5.103 -6.601 91 2HG MET 12 2HG MET 12 7.106 -3.433 -6.136 92 1HE MET 12 1HE MET 12 5.875 -1.695 -7.698 93 2HE MET 12 2HE MET 12 4.138 -1.728 -8.002 94 3HE MET 12 3HE MET 12 4.742 -1.412 -6.376 95 H LYS 13 H LYS 13 8.837 -5.766 -9.656 96 HA LYS 13 HA LYS 13 10.134 -4.327 -11.644 97 1HB LYS 13 1HB LYS 13 10.535 -6.793 -10.243 98 2HB LYS 13 2HB LYS 13 10.855 -7.057 -11.952 99 1HG LYS 13 1HG LYS 13 12.350 -5.021 -11.851 100 2HG LYS 13 2HG LYS 13 12.187 -5.109 -10.096 101 1HD LYS 13 1HD LYS 13 13.962 -6.475 -10.184 102 2HD LYS 13 2HD LYS 13 12.817 -7.692 -10.755 103 1HE LYS 13 1HE LYS 13 13.881 -7.804 -12.699 104 2HE LYS 13 2HE LYS 13 13.601 -6.084 -12.968 105 1HZ LYS 13 1HZ LYS 13 15.614 -5.655 -11.610 106 2HZ LYS 13 2HZ LYS 13 15.909 -7.321 -11.573 107 3HZ LYS 13 3HZ LYS 13 15.931 -6.491 -13.046 108 H ARG 14 H ARG 14 7.991 -7.124 -11.907 109 HA ARG 14 HA ARG 14 8.193 -7.460 -14.690 110 1HB ARG 14 1HB ARG 14 6.836 -8.710 -12.595 111 2HB ARG 14 2HB ARG 14 5.562 -8.120 -13.652 112 1HG ARG 14 1HG ARG 14 7.519 -9.293 -15.306 113 2HG ARG 14 2HG ARG 14 7.241 -10.401 -13.961 114 1HD ARG 14 1HD ARG 14 5.734 -10.876 -15.822 115 2HD ARG 14 2HD ARG 14 4.842 -10.344 -14.397 116 HE ARG 14 HE ARG 14 4.853 -8.083 -15.558 117 1HH1 ARG 14 1HH1 ARG 14 4.878 -11.118 -17.268 118 2HH1 ARG 14 2HH1 ARG 14 4.092 -10.481 -18.673 119 1HH2 ARG 14 1HH2 ARG 14 3.817 -7.235 -17.404 120 2HH2 ARG 14 2HH2 ARG 14 3.489 -8.273 -18.750 121 H HIS 15 H HIS 15 5.974 -5.556 -12.681 122 HA HIS 15 HA HIS 15 4.427 -4.634 -14.876 123 1HB HIS 15 1HB HIS 15 4.608 -4.024 -11.956 124 2HB HIS 15 2HB HIS 15 3.712 -2.928 -13.005 125 HD1 HIS 15 HD1 HIS 15 2.176 -4.385 -10.863 126 HD2 HIS 15 HD2 HIS 15 2.728 -5.928 -14.681 127 HE1 HIS 15 HE1 HIS 15 0.308 -6.032 -11.197 128 HE2 HIS 15 HE2 HIS 15 0.717 -7.023 -13.477 129 H GLY 16 H GLY 16 7.557 -3.864 -14.029 130 1HA GLY 16 1HA GLY 16 7.457 -1.530 -15.681 131 2HA GLY 16 2HA GLY 16 8.887 -2.283 -15.007 132 H LEU 17 H LEU 17 7.567 -1.986 -12.173 133 HA LEU 17 HA LEU 17 7.722 0.918 -11.986 134 1HB LEU 17 1HB LEU 17 7.386 -0.838 -9.599 135 2HB LEU 17 2HB LEU 17 6.789 0.783 -9.868 136 HG LEU 17 HG LEU 17 5.572 -1.816 -10.508 137 1HD1 LEU 17 1HD1 LEU 17 4.919 0.077 -8.819 138 2HD1 LEU 17 2HD1 LEU 17 4.133 0.779 -10.234 139 3HD1 LEU 17 3HD1 LEU 17 3.674 -0.830 -9.677 140 1HD2 LEU 17 1HD2 LEU 17 5.577 0.457 -12.454 141 2HD2 LEU 17 2HD2 LEU 17 5.634 -1.279 -12.758 142 3HD2 LEU 17 3HD2 LEU 17 4.124 -0.520 -12.259 143 H ASP 18 H ASP 18 9.843 -1.379 -12.252 144 HA ASP 18 HA ASP 18 11.637 -0.875 -10.081 145 1HB ASP 18 1HB ASP 18 11.727 -3.017 -11.196 146 2HB ASP 18 2HB ASP 18 12.033 -2.245 -12.748 147 H ASN 19 H ASN 19 11.787 1.398 -10.118 148 HA ASN 19 HA ASN 19 12.848 3.361 -10.520 149 1HB ASN 19 1HB ASN 19 14.721 1.409 -11.240 150 2HB ASN 19 2HB ASN 19 14.707 2.537 -12.590 151 2HD2 ASN 19 2HD2 ASN 19 15.049 4.800 -12.106 152 1HD2 ASN 19 1HD2 ASN 19 16.043 5.235 -10.763 153 H TYR 20 H TYR 20 10.553 2.697 -11.930 154 HA TYR 20 HA TYR 20 10.759 3.352 -14.689 155 1HB TYR 20 1HB TYR 20 8.770 2.236 -13.630 156 2HB TYR 20 2HB TYR 20 8.386 3.762 -12.842 157 HD1 TYR 20 HD1 TYR 20 8.938 2.309 -16.236 158 HD2 TYR 20 HD2 TYR 20 6.954 5.253 -13.891 159 HE1 TYR 20 HE1 TYR 20 7.636 2.994 -18.206 160 HE2 TYR 20 HE2 TYR 20 5.646 5.945 -15.854 161 HH TYR 20 HH TYR 20 6.239 4.542 -19.045 162 H ARG 21 H ARG 21 9.814 5.451 -15.579 163 HA ARG 21 HA ARG 21 11.179 7.622 -15.257 164 1HB ARG 21 1HB ARG 21 8.180 7.493 -15.435 165 2HB ARG 21 2HB ARG 21 9.031 9.032 -15.470 166 1HG ARG 21 1HG ARG 21 10.404 7.668 -17.352 167 2HG ARG 21 2HG ARG 21 8.802 6.948 -17.526 168 1HD ARG 21 1HD ARG 21 9.072 8.873 -19.003 169 2HD ARG 21 2HD ARG 21 7.825 9.166 -17.793 170 HE ARG 21 HE ARG 21 9.154 10.802 -16.845 171 1HH1 ARG 21 1HH1 ARG 21 10.936 9.063 -19.283 172 2HH1 ARG 21 2HH1 ARG 21 12.243 10.197 -19.320 173 1HH2 ARG 21 1HH2 ARG 21 10.871 12.301 -16.887 174 2HH2 ARG 21 2HH2 ARG 21 12.207 12.038 -17.958 175 H GLY 22 H GLY 22 8.794 6.587 -12.916 176 1HA GLY 22 1HA GLY 22 8.210 7.436 -10.841 177 2HA GLY 22 2HA GLY 22 9.179 8.860 -11.184 178 H TYR 23 H TYR 23 9.118 5.709 -9.741 179 HA TYR 23 HA TYR 23 11.925 6.031 -8.938 180 1HB TYR 23 1HB TYR 23 9.567 5.599 -7.119 181 2HB TYR 23 2HB TYR 23 11.230 5.344 -6.609 182 HD1 TYR 23 HD1 TYR 23 8.897 7.908 -7.934 183 HD2 TYR 23 HD2 TYR 23 12.543 7.159 -5.875 184 HE1 TYR 23 HE1 TYR 23 9.068 10.296 -7.390 185 HE2 TYR 23 HE2 TYR 23 12.725 9.548 -5.322 186 HH TYR 23 HH TYR 23 10.836 11.929 -6.800 187 H SER 24 H SER 24 12.618 4.132 -7.487 188 HA SER 24 HA SER 24 12.586 1.805 -9.090 189 1HB SER 24 1HB SER 24 14.068 0.861 -7.446 190 2HB SER 24 2HB SER 24 14.507 2.555 -7.662 191 HG SER 24 HG SER 24 13.219 1.306 -5.499 192 H LEU 25 H LEU 25 11.921 -0.301 -8.474 193 HA LEU 25 HA LEU 25 9.301 -0.579 -7.794 194 1HB LEU 25 1HB LEU 25 9.601 -2.828 -7.886 195 2HB LEU 25 2HB LEU 25 11.040 -2.275 -8.719 196 HG LEU 25 HG LEU 25 12.084 -2.436 -6.297 197 1HD1 LEU 25 1HD1 LEU 25 9.676 -3.153 -5.541 198 2HD1 LEU 25 2HD1 LEU 25 10.195 -4.736 -6.121 199 3HD1 LEU 25 3HD1 LEU 25 11.103 -3.923 -4.847 200 1HD2 LEU 25 1HD2 LEU 25 12.844 -3.619 -8.288 201 2HD2 LEU 25 2HD2 LEU 25 12.840 -4.682 -6.881 202 3HD2 LEU 25 3HD2 LEU 25 11.555 -4.805 -8.084 203 H GLY 26 H GLY 26 12.073 -0.933 -5.535 204 1HA GLY 26 1HA GLY 26 12.177 -0.636 -3.274 205 2HA GLY 26 2HA GLY 26 10.746 -1.652 -3.259 206 H ASN 27 H ASN 27 11.021 1.635 -4.572 207 HA ASN 27 HA ASN 27 9.969 2.997 -2.359 208 1HB ASN 27 1HB ASN 27 9.798 3.674 -5.301 209 2HB ASN 27 2HB ASN 27 9.396 4.785 -3.995 210 2HD2 ASN 27 2HD2 ASN 27 11.259 4.717 -2.238 211 1HD2 ASN 27 1HD2 ASN 27 12.833 5.001 -2.890 212 H TRP 28 H TRP 28 8.510 1.085 -4.808 213 HA TRP 28 HA TRP 28 5.807 1.964 -4.416 214 1HB TRP 28 1HB TRP 28 6.905 -0.499 -5.758 215 2HB TRP 28 2HB TRP 28 5.237 0.071 -5.853 216 HD1 TRP 28 HD1 TRP 28 8.729 0.814 -7.141 217 HE1 TRP 28 HE1 TRP 28 8.564 2.540 -9.044 218 HE3 TRP 28 HE3 TRP 28 3.795 1.987 -6.701 219 HZ2 TRP 28 HZ2 TRP 28 6.571 4.180 -10.221 220 HZ3 TRP 28 HZ3 TRP 28 2.810 3.634 -8.234 221 HH2 TRP 28 HH2 TRP 28 4.176 4.716 -9.965 222 H VAL 29 H VAL 29 7.880 -0.616 -3.196 223 HA VAL 29 HA VAL 29 5.816 -2.071 -1.919 224 HB VAL 29 HB VAL 29 8.799 -1.991 -1.465 225 1HG1 VAL 29 1HG1 VAL 29 7.662 -2.750 0.561 226 2HG1 VAL 29 2HG1 VAL 29 6.803 -3.971 -0.377 227 3HG1 VAL 29 3HG1 VAL 29 8.556 -4.060 -0.209 228 1HG2 VAL 29 1HG2 VAL 29 7.042 -3.381 -3.342 229 2HG2 VAL 29 2HG2 VAL 29 8.772 -3.052 -3.434 230 3HG2 VAL 29 3HG2 VAL 29 8.186 -4.436 -2.511 231 H CYS 30 H CYS 30 8.249 0.216 -0.721 232 HA CYS 30 HA CYS 30 7.447 0.215 1.951 233 1HB CYS 30 1HB CYS 30 9.573 1.157 1.123 234 2HB CYS 30 2HB CYS 30 8.684 2.476 0.370 235 H ALA 31 H ALA 31 6.485 2.364 -0.726 236 HA ALA 31 HA ALA 31 4.790 4.028 0.765 237 1HB ALA 31 1HB ALA 31 5.335 3.518 -2.057 238 2HB ALA 31 2HB ALA 31 3.674 4.019 -1.738 239 3HB ALA 31 3HB ALA 31 5.017 5.036 -1.218 240 H ALA 32 H ALA 32 4.117 1.064 -1.061 241 HA ALA 32 HA ALA 32 1.323 1.072 -0.587 242 1HB ALA 32 1HB ALA 32 2.672 -0.214 -2.364 243 2HB ALA 32 2HB ALA 32 2.894 -1.425 -1.101 244 3HB ALA 32 3HB ALA 32 1.269 -1.000 -1.639 245 H LYS 33 H LYS 33 4.045 -0.500 1.073 246 HA LYS 33 HA LYS 33 2.721 -2.161 2.793 247 1HB LYS 33 1HB LYS 33 5.210 -1.898 2.512 248 2HB LYS 33 2HB LYS 33 5.111 -0.490 3.560 249 1HG LYS 33 1HG LYS 33 3.874 -2.262 5.126 250 2HG LYS 33 2HG LYS 33 4.910 -3.363 4.215 251 1HD LYS 33 1HD LYS 33 6.864 -1.998 4.823 252 2HD LYS 33 2HD LYS 33 5.816 -0.935 5.764 253 1HE LYS 33 1HE LYS 33 5.347 -3.639 6.550 254 2HE LYS 33 2HE LYS 33 7.082 -3.327 6.584 255 1HZ LYS 33 1HZ LYS 33 5.808 -1.123 7.719 256 2HZ LYS 33 2HZ LYS 33 5.122 -2.502 8.419 257 3HZ LYS 33 3HZ LYS 33 6.795 -2.263 8.488 258 H PHE 34 H PHE 34 3.686 1.199 3.540 259 HA PHE 34 HA PHE 34 2.172 1.167 5.940 260 1HB PHE 34 1HB PHE 34 3.847 3.094 4.558 261 2HB PHE 34 2HB PHE 34 2.652 3.774 5.643 262 HD1 PHE 34 HD1 PHE 34 2.667 3.032 8.046 263 HD2 PHE 34 HD2 PHE 34 5.831 2.133 5.347 264 HE1 PHE 34 HE1 PHE 34 4.153 2.564 9.951 265 HE2 PHE 34 HE2 PHE 34 7.323 1.662 7.245 266 HZ PHE 34 HZ PHE 34 6.484 1.877 9.551 267 H GLU 35 H GLU 35 1.443 2.029 2.687 268 HA GLU 35 HA GLU 35 -0.705 3.771 3.180 269 1HB GLU 35 1HB GLU 35 0.563 2.506 0.944 270 2HB GLU 35 2HB GLU 35 -1.179 2.330 0.790 271 1HG GLU 35 1HG GLU 35 -1.454 4.473 0.268 272 2HG GLU 35 2HG GLU 35 -0.398 5.014 1.573 273 H SER 36 H SER 36 -0.701 0.323 2.313 274 HA SER 36 HA SER 36 -3.336 0.068 3.618 275 1HB SER 36 1HB SER 36 -3.950 -1.513 1.755 276 2HB SER 36 2HB SER 36 -3.746 0.163 1.246 277 HG SER 36 HG SER 36 -1.493 -0.544 0.761 278 H ASN 37 H ASN 37 -0.267 -0.913 3.883 279 HA ASN 37 HA ASN 37 0.774 -2.708 4.844 280 1HB ASN 37 1HB ASN 37 -1.886 -2.661 5.990 281 2HB ASN 37 2HB ASN 37 -1.306 -4.318 5.843 282 2HD2 ASN 37 2HD2 ASN 37 -1.382 -1.669 7.792 283 1HD2 ASN 37 1HD2 ASN 37 -0.031 -2.023 8.809 284 H PHE 38 H PHE 38 -0.250 -2.727 2.133 285 HA PHE 38 HA PHE 38 -0.208 -3.996 0.313 286 1HB PHE 38 1HB PHE 38 0.649 -6.180 2.218 287 2HB PHE 38 2HB PHE 38 0.639 -6.324 0.463 288 HD1 PHE 38 HD1 PHE 38 1.664 -3.786 -0.444 289 HD2 PHE 38 HD2 PHE 38 2.862 -6.144 2.891 290 HE1 PHE 38 HE1 PHE 38 3.903 -2.777 -0.546 291 HE2 PHE 38 HE2 PHE 38 5.105 -5.135 2.797 292 HZ PHE 38 HZ PHE 38 5.630 -3.457 1.076 293 H ASN 39 H ASN 39 -2.582 -3.775 2.178 294 HA ASN 39 HA ASN 39 -4.061 -6.197 1.655 295 1HB ASN 39 1HB ASN 39 -4.472 -4.851 3.699 296 2HB ASN 39 2HB ASN 39 -5.038 -3.526 2.689 297 2HD2 ASN 39 2HD2 ASN 39 -6.918 -3.891 4.173 298 1HD2 ASN 39 1HD2 ASN 39 -8.131 -5.002 3.645 299 H THR 40 H THR 40 -4.694 -6.611 -0.324 300 HA THR 40 HA THR 40 -4.860 -4.693 -2.386 301 HB THR 40 HB THR 40 -5.218 -6.456 -3.802 302 HG1 THR 40 HG1 THR 40 -6.417 -8.409 -2.877 303 1HG2 THR 40 1HG2 THR 40 -3.557 -7.046 -1.686 304 2HG2 THR 40 2HG2 THR 40 -4.579 -8.478 -1.817 305 3HG2 THR 40 3HG2 THR 40 -3.648 -7.928 -3.209 306 H GLN 41 H GLN 41 -6.969 -5.659 0.046 307 HA GLN 41 HA GLN 41 -9.310 -4.582 -1.352 308 1HB GLN 41 1HB GLN 41 -8.853 -6.712 0.644 309 2HB GLN 41 2HB GLN 41 -10.312 -5.776 0.837 310 1HG GLN 41 1HG GLN 41 -11.316 -6.809 -0.862 311 2HG GLN 41 2HG GLN 41 -9.910 -6.606 -1.906 312 2HE2 GLN 41 2HE2 GLN 41 -9.218 -8.467 -2.650 313 1HE2 GLN 41 1HE2 GLN 41 -9.168 -9.962 -1.785 314 H ALA 42 H ALA 42 -6.983 -3.496 0.622 315 HA ALA 42 HA ALA 42 -8.328 -2.363 2.808 316 1HB ALA 42 1HB ALA 42 -5.705 -1.996 1.516 317 2HB ALA 42 2HB ALA 42 -6.114 -2.285 3.206 318 3HB ALA 42 3HB ALA 42 -6.281 -0.668 2.523 319 H THR 43 H THR 43 -9.606 -0.699 3.027 320 HA THR 43 HA THR 43 -9.733 1.340 0.899 321 HB THR 43 HB THR 43 -12.043 1.441 1.002 322 HG1 THR 43 HG1 THR 43 -13.091 1.321 2.845 323 1HG2 THR 43 1HG2 THR 43 -11.351 -0.771 0.139 324 2HG2 THR 43 2HG2 THR 43 -11.537 -1.439 1.761 325 3HG2 THR 43 3HG2 THR 43 -12.942 -0.811 0.899 326 H ASN 44 H ASN 44 -9.512 3.444 1.601 327 HA ASN 44 HA ASN 44 -9.701 3.922 4.497 328 1HB ASN 44 1HB ASN 44 -7.306 3.711 3.455 329 2HB ASN 44 2HB ASN 44 -7.628 5.339 2.863 330 2HD2 ASN 44 2HD2 ASN 44 -5.883 4.003 5.033 331 1HD2 ASN 44 1HD2 ASN 44 -6.102 5.041 6.397 332 H ARG 45 H ARG 45 -11.331 5.279 4.788 333 HA ARG 45 HA ARG 45 -12.087 7.183 2.743 334 1HB ARG 45 1HB ARG 45 -13.886 7.782 4.431 335 2HB ARG 45 2HB ARG 45 -13.917 6.135 3.816 336 1HG ARG 45 1HG ARG 45 -12.791 5.368 5.858 337 2HG ARG 45 2HG ARG 45 -12.817 7.021 6.476 338 1HD ARG 45 1HD ARG 45 -15.397 5.889 5.569 339 2HD ARG 45 2HD ARG 45 -14.709 5.215 7.046 340 HE ARG 45 HE ARG 45 -14.971 7.290 8.094 341 1HH1 ARG 45 1HH1 ARG 45 -16.011 7.375 4.770 342 2HH1 ARG 45 2HH1 ARG 45 -16.877 8.863 4.944 343 1HH2 ARG 45 1HH2 ARG 45 -16.111 9.250 8.334 344 2HH2 ARG 45 2HH2 ARG 45 -16.935 9.930 6.970 345 H ASN 46 H ASN 46 -11.454 9.230 2.651 346 HA ASN 46 HA ASN 46 -10.023 10.358 4.953 347 1HB ASN 46 1HB ASN 46 -10.045 11.623 2.236 348 2HB ASN 46 2HB ASN 46 -8.799 11.679 3.479 349 2HD2 ASN 46 2HD2 ASN 46 -10.114 9.924 0.817 350 1HD2 ASN 46 1HD2 ASN 46 -8.854 8.750 0.692 351 H THR 47 H THR 47 -10.195 12.872 4.969 352 HA THR 47 HA THR 47 -12.976 13.474 5.446 353 HB THR 47 HB THR 47 -12.192 15.591 6.356 354 HG1 THR 47 HG1 THR 47 -10.073 15.105 4.759 355 1HG2 THR 47 1HG2 THR 47 -10.916 13.037 7.170 356 2HG2 THR 47 2HG2 THR 47 -10.301 14.520 7.901 357 3HG2 THR 47 3HG2 THR 47 -12.004 14.095 8.069 358 H ASP 48 H ASP 48 -10.857 13.774 2.834 359 HA ASP 48 HA ASP 48 -11.905 16.188 1.706 360 1HB ASP 48 1HB ASP 48 -10.719 15.364 -0.373 361 2HB ASP 48 2HB ASP 48 -9.703 15.586 1.047 362 H GLY 49 H GLY 49 -13.170 13.122 2.059 363 1HA GLY 49 1HA GLY 49 -15.149 13.665 -0.050 364 2HA GLY 49 2HA GLY 49 -15.432 12.689 1.384 365 H SER 50 H SER 50 -12.579 12.415 -0.639 366 HA SER 50 HA SER 50 -13.590 10.167 -2.119 367 1HB SER 50 1HB SER 50 -10.964 10.037 -2.625 368 2HB SER 50 2HB SER 50 -12.019 11.204 -3.420 369 HG SER 50 HG SER 50 -11.381 12.738 -1.864 370 H THR 51 H THR 51 -11.770 8.283 -2.219 371 HA THR 51 HA THR 51 -11.113 7.426 0.503 372 HB THR 51 HB THR 51 -12.412 5.402 -1.263 373 HG1 THR 51 HG1 THR 51 -14.319 6.317 0.272 374 1HG2 THR 51 1HG2 THR 51 -11.303 4.977 1.013 375 2HG2 THR 51 2HG2 THR 51 -12.715 5.777 1.702 376 3HG2 THR 51 3HG2 THR 51 -12.913 4.308 0.748 377 H ASP 52 H ASP 52 -9.915 5.244 0.406 378 HA ASP 52 HA ASP 52 -8.136 5.199 -1.945 379 1HB ASP 52 1HB ASP 52 -7.438 4.734 0.962 380 2HB ASP 52 2HB ASP 52 -6.335 4.472 -0.386 381 H TYR 53 H TYR 53 -9.319 3.580 -2.958 382 HA TYR 53 HA TYR 53 -9.576 1.043 -1.526 383 1HB TYR 53 1HB TYR 53 -10.643 1.791 -4.253 384 2HB TYR 53 2HB TYR 53 -11.022 0.337 -3.341 385 HD1 TYR 53 HD1 TYR 53 -12.043 0.806 -0.932 386 HD2 TYR 53 HD2 TYR 53 -12.152 3.529 -4.196 387 HE1 TYR 53 HE1 TYR 53 -13.984 1.929 0.077 388 HE2 TYR 53 HE2 TYR 53 -14.091 4.662 -3.196 389 HH TYR 53 HH TYR 53 -15.204 4.933 -1.132 390 H GLY 54 H GLY 54 -7.189 0.654 -1.630 391 1HA GLY 54 1HA GLY 54 -5.965 0.344 -4.182 392 2HA GLY 54 2HA GLY 54 -6.528 -1.203 -3.571 393 H ILE 55 H ILE 55 -4.184 -1.686 -3.732 394 HA ILE 55 HA ILE 55 -2.970 -1.557 -1.152 395 HB ILE 55 HB ILE 55 -2.568 -3.423 -2.801 396 1HG1 ILE 55 1HG1 ILE 55 -0.064 -1.970 -1.907 397 2HG1 ILE 55 2HG1 ILE 55 -1.062 -2.981 -0.866 398 1HG2 ILE 55 1HG2 ILE 55 -1.855 -1.254 -4.477 399 2HG2 ILE 55 2HG2 ILE 55 -0.419 -2.250 -4.250 400 3HG2 ILE 55 3HG2 ILE 55 -1.903 -2.973 -4.869 401 1HD1 ILE 55 1HD1 ILE 55 -0.588 -4.757 -2.768 402 2HD1 ILE 55 2HD1 ILE 55 0.835 -3.744 -3.003 403 3HD1 ILE 55 3HD1 ILE 55 0.531 -4.486 -1.433 404 H LEU 56 H LEU 56 -2.954 0.321 -4.015 405 HA LEU 56 HA LEU 56 -0.817 2.050 -2.976 406 1HB LEU 56 1HB LEU 56 -1.327 1.029 -5.598 407 2HB LEU 56 2HB LEU 56 -1.560 2.765 -5.640 408 HG LEU 56 HG LEU 56 0.693 2.455 -6.248 409 1HD1 LEU 56 1HD1 LEU 56 0.079 3.878 -4.009 410 2HD1 LEU 56 2HD1 LEU 56 1.376 2.834 -3.425 411 3HD1 LEU 56 3HD1 LEU 56 1.646 3.884 -4.817 412 1HD2 LEU 56 1HD2 LEU 56 0.721 0.054 -5.479 413 2HD2 LEU 56 2HD2 LEU 56 2.215 0.956 -5.223 414 3HD2 LEU 56 3HD2 LEU 56 1.123 0.656 -3.871 415 H GLN 57 H GLN 57 -3.949 1.741 -2.651 416 HA GLN 57 HA GLN 57 -5.618 3.121 -2.034 417 1HB GLN 57 1HB GLN 57 -3.583 5.313 -2.465 418 2HB GLN 57 2HB GLN 57 -5.164 5.538 -1.730 419 1HG GLN 57 1HG GLN 57 -4.431 3.788 -0.027 420 2HG GLN 57 2HG GLN 57 -2.804 4.033 -0.662 421 2HE2 GLN 57 2HE2 GLN 57 -4.498 4.753 1.876 422 1HE2 GLN 57 1HE2 GLN 57 -3.985 6.368 2.211 423 H ILE 58 H ILE 58 -6.529 2.312 -4.158 424 HA ILE 58 HA ILE 58 -6.400 4.220 -6.325 425 HB ILE 58 HB ILE 58 -8.181 1.799 -6.207 426 1HG1 ILE 58 1HG1 ILE 58 -6.003 0.952 -5.679 427 2HG1 ILE 58 2HG1 ILE 58 -6.291 0.611 -7.381 428 1HG2 ILE 58 1HG2 ILE 58 -7.302 3.715 -8.263 429 2HG2 ILE 58 2HG2 ILE 58 -7.336 2.021 -8.754 430 3HG2 ILE 58 3HG2 ILE 58 -8.798 2.790 -8.135 431 1HD1 ILE 58 1HD1 ILE 58 -5.035 3.107 -7.313 432 2HD1 ILE 58 2HD1 ILE 58 -4.173 2.095 -6.154 433 3HD1 ILE 58 3HD1 ILE 58 -4.349 1.566 -7.827 434 H ASN 59 H ASN 59 -7.392 6.049 -5.581 435 HA ASN 59 HA ASN 59 -9.859 6.128 -4.237 436 1HB ASN 59 1HB ASN 59 -8.307 8.029 -4.270 437 2HB ASN 59 2HB ASN 59 -8.547 8.213 -6.004 438 2HD2 ASN 59 2HD2 ASN 59 -9.113 10.413 -5.331 439 1HD2 ASN 59 1HD2 ASN 59 -10.742 10.737 -4.859 440 H SER 60 H SER 60 -11.489 4.954 -5.176 441 HA SER 60 HA SER 60 -11.961 4.774 -7.934 442 1HB SER 60 1HB SER 60 -13.887 3.577 -7.383 443 2HB SER 60 2HB SER 60 -12.863 3.329 -5.969 444 HG SER 60 HG SER 60 -15.101 5.018 -6.263 445 H ARG 61 H ARG 61 -12.436 7.415 -5.876 446 HA ARG 61 HA ARG 61 -14.737 8.486 -7.269 447 1HB ARG 61 1HB ARG 61 -14.360 8.903 -4.849 448 2HB ARG 61 2HB ARG 61 -12.914 9.817 -5.257 449 1HG ARG 61 1HG ARG 61 -14.104 11.589 -6.102 450 2HG ARG 61 2HG ARG 61 -15.517 10.601 -6.476 451 1HD ARG 61 1HD ARG 61 -16.319 10.692 -4.333 452 2HD ARG 61 2HD ARG 61 -14.718 10.902 -3.628 453 HE ARG 61 HE ARG 61 -15.221 13.193 -5.077 454 1HH1 ARG 61 1HH1 ARG 61 -16.670 11.517 -2.388 455 2HH1 ARG 61 2HH1 ARG 61 -17.295 12.959 -1.661 456 1HH2 ARG 61 1HH2 ARG 61 -16.039 15.097 -4.126 457 2HH2 ARG 61 2HH2 ARG 61 -16.938 14.994 -2.648 458 H TRP 62 H TRP 62 -11.336 9.448 -6.866 459 HA TRP 62 HA TRP 62 -11.516 11.374 -9.007 460 1HB TRP 62 1HB TRP 62 -9.949 11.299 -6.842 461 2HB TRP 62 2HB TRP 62 -8.869 10.485 -7.969 462 HD1 TRP 62 HD1 TRP 62 -7.527 11.982 -9.602 463 HE1 TRP 62 HE1 TRP 62 -7.458 14.505 -10.103 464 HE3 TRP 62 HE3 TRP 62 -11.618 13.457 -6.912 465 HZ2 TRP 62 HZ2 TRP 62 -8.941 16.815 -9.445 466 HZ3 TRP 62 HZ3 TRP 62 -12.224 15.841 -6.900 467 HH2 TRP 62 HH2 TRP 62 -10.912 17.484 -8.141 468 H TRP 63 H TRP 63 -10.004 8.221 -8.497 469 HA TRP 63 HA TRP 63 -9.419 8.073 -11.376 470 1HB TRP 63 1HB TRP 63 -8.314 6.271 -9.213 471 2HB TRP 63 2HB TRP 63 -7.756 6.420 -10.876 472 HD1 TRP 63 HD1 TRP 63 -6.708 7.408 -7.569 473 HE1 TRP 63 HE1 TRP 63 -5.117 9.434 -7.651 474 HE3 TRP 63 HE3 TRP 63 -7.651 8.961 -12.316 475 HZ2 TRP 63 HZ2 TRP 63 -4.367 11.439 -9.512 476 HZ3 TRP 63 HZ3 TRP 63 -6.498 10.932 -13.188 477 HH2 TRP 63 HH2 TRP 63 -4.874 12.156 -11.813 478 H CYS 64 H CYS 64 -9.657 5.978 -12.384 479 HA CYS 64 HA CYS 64 -11.034 4.385 -13.192 480 1HB CYS 64 1HB CYS 64 -10.940 2.448 -11.969 481 2HB CYS 64 2HB CYS 64 -9.724 3.396 -11.130 482 H ASN 65 H ASN 65 -13.068 3.673 -13.568 483 HA ASN 65 HA ASN 65 -15.175 5.250 -12.296 484 1HB ASN 65 1HB ASN 65 -15.148 5.251 -14.726 485 2HB ASN 65 2HB ASN 65 -15.198 3.491 -14.759 486 2HD2 ASN 65 2HD2 ASN 65 -17.098 2.862 -15.461 487 1HD2 ASN 65 1HD2 ASN 65 -18.627 3.507 -14.982 488 H ASP 66 H ASP 66 -15.888 4.349 -10.460 489 HA ASP 66 HA ASP 66 -16.183 1.450 -10.289 490 1HB ASP 66 1HB ASP 66 -16.431 1.748 -7.921 491 2HB ASP 66 2HB ASP 66 -15.076 2.740 -8.450 492 H GLY 67 H GLY 67 -18.084 4.308 -10.674 493 1HA GLY 67 1HA GLY 67 -20.444 2.755 -11.144 494 2HA GLY 67 2HA GLY 67 -20.319 4.506 -11.210 495 H ARG 68 H ARG 68 -19.179 3.140 -8.302 496 HA ARG 68 HA ARG 68 -21.769 3.349 -6.977 497 1HB ARG 68 1HB ARG 68 -19.222 2.001 -6.424 498 2HB ARG 68 2HB ARG 68 -19.957 2.742 -5.009 499 1HG ARG 68 1HG ARG 68 -20.853 0.627 -4.961 500 2HG ARG 68 2HG ARG 68 -22.108 1.530 -5.813 501 1HD ARG 68 1HD ARG 68 -19.960 0.281 -7.437 502 2HD ARG 68 2HD ARG 68 -21.159 -0.788 -6.710 503 HE ARG 68 HE ARG 68 -21.568 1.075 -8.872 504 1HH1 ARG 68 1HH1 ARG 68 -23.078 -0.789 -6.345 505 2HH1 ARG 68 2HH1 ARG 68 -24.632 -0.807 -7.109 506 1HH2 ARG 68 1HH2 ARG 68 -23.611 1.057 -9.885 507 2HH2 ARG 68 2HH2 ARG 68 -24.935 0.242 -9.122 508 H THR 69 H THR 69 -19.275 5.379 -7.748 509 HA THR 69 HA THR 69 -19.666 7.038 -5.347 510 HB THR 69 HB THR 69 -17.447 7.302 -7.380 511 HG1 THR 69 HG1 THR 69 -16.173 6.244 -5.772 512 1HG2 THR 69 1HG2 THR 69 -18.348 9.032 -5.376 513 2HG2 THR 69 2HG2 THR 69 -16.908 8.261 -4.712 514 3HG2 THR 69 3HG2 THR 69 -16.819 9.120 -6.250 515 HA PRO 70 HA PRO 70 -22.042 9.679 -8.068 516 1HB PRO 70 1HB PRO 70 -22.545 11.638 -6.264 517 2HB PRO 70 2HB PRO 70 -23.397 10.090 -6.256 518 1HG PRO 70 1HG PRO 70 -21.088 10.991 -4.576 519 2HG PRO 70 2HG PRO 70 -22.543 10.098 -4.093 520 1HD PRO 70 1HD PRO 70 -20.158 8.883 -4.515 521 2HD PRO 70 2HD PRO 70 -21.709 8.084 -4.841 522 H GLY 71 H GLY 71 -20.140 10.145 -9.373 523 1HA GLY 71 1HA GLY 71 -18.783 12.652 -8.612 524 2HA GLY 71 2HA GLY 71 -19.485 12.452 -10.211 525 H SER 72 H SER 72 -18.622 9.545 -10.124 526 HA SER 72 HA SER 72 -15.837 9.365 -9.927 527 1HB SER 72 1HB SER 72 -17.637 7.781 -11.777 528 2HB SER 72 2HB SER 72 -16.036 7.307 -11.210 529 HG SER 72 HG SER 72 -17.654 6.307 -9.977 530 H ARG 73 H ARG 73 -14.377 10.487 -11.022 531 HA ARG 73 HA ARG 73 -14.951 11.828 -13.466 532 1HB ARG 73 1HB ARG 73 -13.103 12.174 -11.506 533 2HB ARG 73 2HB ARG 73 -12.117 11.412 -12.748 534 1HG ARG 73 1HG ARG 73 -11.872 13.681 -13.162 535 2HG ARG 73 2HG ARG 73 -13.097 13.178 -14.329 536 1HD ARG 73 1HD ARG 73 -14.051 14.105 -11.683 537 2HD ARG 73 2HD ARG 73 -13.376 15.325 -12.763 538 HE ARG 73 HE ARG 73 -15.198 13.787 -14.219 539 1HH1 ARG 73 1HH1 ARG 73 -15.178 16.051 -11.569 540 2HH1 ARG 73 2HH1 ARG 73 -16.778 16.634 -11.888 541 1HH2 ARG 73 1HH2 ARG 73 -17.304 14.549 -14.645 542 2HH2 ARG 73 2HH2 ARG 73 -17.986 15.781 -13.636 543 H ASN 74 H ASN 74 -13.154 8.905 -12.630 544 HA ASN 74 HA ASN 74 -12.448 7.122 -13.873 545 1HB ASN 74 1HB ASN 74 -14.796 7.266 -14.789 546 2HB ASN 74 2HB ASN 74 -14.163 8.251 -16.104 547 2HD2 ASN 74 2HD2 ASN 74 -12.496 5.547 -14.623 548 1HD2 ASN 74 1HD2 ASN 74 -12.542 4.516 -16.009 549 H LEU 75 H LEU 75 -10.904 9.427 -13.729 550 HA LEU 75 HA LEU 75 -9.869 10.378 -16.158 551 1HB LEU 75 1HB LEU 75 -9.081 10.218 -13.317 552 2HB LEU 75 2HB LEU 75 -7.776 10.483 -14.451 553 HG LEU 75 HG LEU 75 -10.263 12.195 -14.141 554 1HD1 LEU 75 1HD1 LEU 75 -8.465 12.199 -12.293 555 2HD1 LEU 75 2HD1 LEU 75 -7.475 13.060 -13.471 556 3HD1 LEU 75 3HD1 LEU 75 -9.014 13.743 -12.947 557 1HD2 LEU 75 1HD2 LEU 75 -7.811 12.570 -15.862 558 2HD2 LEU 75 2HD2 LEU 75 -9.460 12.276 -16.416 559 3HD2 LEU 75 3HD2 LEU 75 -9.059 13.789 -15.603 560 H CYS 76 H CYS 76 -8.235 8.454 -13.875 561 HA CYS 76 HA CYS 76 -6.181 7.350 -15.213 562 1HB CYS 76 1HB CYS 76 -7.506 6.970 -12.830 563 2HB CYS 76 2HB CYS 76 -7.565 5.387 -13.589 564 H ASN 77 H ASN 77 -9.524 6.295 -15.213 565 HA ASN 77 HA ASN 77 -10.773 5.030 -16.633 566 1HB ASN 77 1HB ASN 77 -8.456 5.786 -18.343 567 2HB ASN 77 2HB ASN 77 -9.486 4.475 -18.909 568 2HD2 ASN 77 2HD2 ASN 77 -11.914 5.031 -18.621 569 1HD2 ASN 77 1HD2 ASN 77 -12.377 6.586 -19.215 570 H ILE 78 H ILE 78 -9.421 3.741 -14.629 571 HA ILE 78 HA ILE 78 -8.579 1.242 -15.906 572 HB ILE 78 HB ILE 78 -6.791 1.204 -14.606 573 1HG1 ILE 78 1HG1 ILE 78 -8.855 0.753 -12.692 574 2HG1 ILE 78 2HG1 ILE 78 -7.178 0.243 -12.619 575 1HG2 ILE 78 1HG2 ILE 78 -6.903 3.626 -14.890 576 2HG2 ILE 78 2HG2 ILE 78 -7.816 3.757 -13.387 577 3HG2 ILE 78 3HG2 ILE 78 -6.150 3.179 -13.359 578 1HD1 ILE 78 1HD1 ILE 78 -8.144 2.929 -11.681 579 2HD1 ILE 78 2HD1 ILE 78 -7.992 1.515 -10.639 580 3HD1 ILE 78 3HD1 ILE 78 -6.562 2.197 -11.414 581 HA PRO 79 HA PRO 79 -11.984 -0.714 -13.834 582 1HB PRO 79 1HB PRO 79 -11.146 -3.268 -13.711 583 2HB PRO 79 2HB PRO 79 -11.553 -2.507 -15.253 584 1HG PRO 79 1HG PRO 79 -8.870 -3.016 -14.039 585 2HG PRO 79 2HG PRO 79 -9.384 -3.167 -15.729 586 1HD PRO 79 1HD PRO 79 -8.002 -1.013 -14.704 587 2HD PRO 79 2HD PRO 79 -9.020 -0.955 -16.156 588 H CYS 80 H CYS 80 -12.342 -0.268 -11.711 589 HA CYS 80 HA CYS 80 -10.325 -0.318 -9.754 590 1HB CYS 80 1HB CYS 80 -13.195 -0.488 -8.959 591 2HB CYS 80 2HB CYS 80 -11.908 0.520 -8.308 592 H SER 81 H SER 81 -13.230 -2.416 -9.917 593 HA SER 81 HA SER 81 -12.485 -4.179 -7.926 594 1HB SER 81 1HB SER 81 -13.992 -5.828 -9.139 595 2HB SER 81 2HB SER 81 -14.714 -4.269 -8.743 596 HG SER 81 HG SER 81 -13.466 -4.398 -11.201 597 H ALA 82 H ALA 82 -11.342 -4.058 -11.228 598 HA ALA 82 HA ALA 82 -10.307 -6.706 -11.326 599 1HB ALA 82 1HB ALA 82 -10.818 -5.321 -13.322 600 2HB ALA 82 2HB ALA 82 -9.209 -6.043 -13.348 601 3HB ALA 82 3HB ALA 82 -9.402 -4.337 -12.948 602 H LEU 83 H LEU 83 -9.321 -4.054 -9.574 603 HA LEU 83 HA LEU 83 -6.504 -4.896 -9.542 604 1HB LEU 83 1HB LEU 83 -5.901 -2.793 -8.791 605 2HB LEU 83 2HB LEU 83 -7.227 -2.444 -9.881 606 HG LEU 83 HG LEU 83 -8.558 -2.661 -7.521 607 1HD1 LEU 83 1HD1 LEU 83 -6.182 -2.866 -6.490 608 2HD1 LEU 83 2HD1 LEU 83 -6.118 -1.121 -6.750 609 3HD1 LEU 83 3HD1 LEU 83 -7.378 -1.815 -5.729 610 1HD2 LEU 83 1HD2 LEU 83 -7.256 -0.211 -8.700 611 2HD2 LEU 83 2HD2 LEU 83 -8.829 -0.879 -9.135 612 3HD2 LEU 83 3HD2 LEU 83 -8.574 -0.199 -7.528 613 H LEU 84 H LEU 84 -9.333 -5.378 -7.868 614 HA LEU 84 HA LEU 84 -8.028 -5.626 -5.268 615 1HB LEU 84 1HB LEU 84 -10.919 -6.202 -5.712 616 2HB LEU 84 2HB LEU 84 -10.121 -5.518 -4.308 617 HG LEU 84 HG LEU 84 -10.459 -4.046 -6.918 618 1HD1 LEU 84 1HD1 LEU 84 -12.553 -4.727 -5.444 619 2HD1 LEU 84 2HD1 LEU 84 -12.029 -3.324 -4.516 620 3HD1 LEU 84 3HD1 LEU 84 -12.422 -3.152 -6.226 621 1HD2 LEU 84 1HD2 LEU 84 -8.597 -3.414 -5.306 622 2HD2 LEU 84 2HD2 LEU 84 -9.718 -2.135 -5.772 623 3HD2 LEU 84 3HD2 LEU 84 -9.874 -2.913 -4.198 624 H SER 85 H SER 85 -8.924 -7.586 -7.920 625 HA SER 85 HA SER 85 -9.428 -9.970 -6.428 626 1HB SER 85 1HB SER 85 -10.078 -9.297 -8.921 627 2HB SER 85 2HB SER 85 -8.566 -10.133 -9.277 628 HG SER 85 HG SER 85 -9.458 -11.914 -8.019 629 H SER 86 H SER 86 -7.095 -8.805 -5.613 630 HA SER 86 HA SER 86 -5.016 -9.382 -4.879 631 1HB SER 86 1HB SER 86 -6.043 -11.703 -4.745 632 2HB SER 86 2HB SER 86 -5.369 -12.007 -6.346 633 HG SER 86 HG SER 86 -3.700 -12.616 -5.201 634 H ASP 87 H ASP 87 -5.723 -8.212 -7.467 635 HA ASP 87 HA ASP 87 -3.268 -8.776 -8.977 636 1HB ASP 87 1HB ASP 87 -5.505 -9.396 -9.969 637 2HB ASP 87 2HB ASP 87 -5.882 -7.680 -9.991 638 H ILE 88 H ILE 88 -1.822 -7.129 -8.720 639 HA ILE 88 HA ILE 88 -2.751 -4.497 -7.977 640 HB ILE 88 HB ILE 88 -0.148 -4.070 -8.337 641 1HG1 ILE 88 1HG1 ILE 88 -0.110 -6.958 -7.507 642 2HG1 ILE 88 2HG1 ILE 88 -0.001 -6.511 -9.207 643 1HG2 ILE 88 1HG2 ILE 88 -1.784 -5.009 -6.106 644 2HG2 ILE 88 2HG2 ILE 88 -0.054 -5.273 -5.896 645 3HG2 ILE 88 3HG2 ILE 88 -0.666 -3.649 -6.206 646 1HD1 ILE 88 1HD1 ILE 88 1.860 -4.912 -7.840 647 2HD1 ILE 88 2HD1 ILE 88 2.040 -6.552 -7.215 648 3HD1 ILE 88 3HD1 ILE 88 2.176 -6.248 -8.947 649 H THR 89 H THR 89 -2.316 -6.129 -10.866 650 HA THR 89 HA THR 89 -1.063 -4.439 -12.597 651 HB THR 89 HB THR 89 -3.669 -5.767 -13.324 652 HG1 THR 89 HG1 THR 89 -2.493 -7.673 -13.577 653 1HG2 THR 89 1HG2 THR 89 -2.021 -4.259 -14.846 654 2HG2 THR 89 2HG2 THR 89 -1.307 -5.853 -15.087 655 3HG2 THR 89 3HG2 THR 89 -3.004 -5.580 -15.478 656 H ALA 90 H ALA 90 -4.597 -4.349 -12.032 657 HA ALA 90 HA ALA 90 -5.053 -2.032 -13.450 658 1HB ALA 90 1HB ALA 90 -6.562 -3.765 -11.729 659 2HB ALA 90 2HB ALA 90 -7.012 -2.079 -11.481 660 3HB ALA 90 3HB ALA 90 -7.102 -2.788 -13.094 661 H SER 91 H SER 91 -4.449 -2.443 -9.969 662 HA SER 91 HA SER 91 -4.787 0.266 -9.257 663 1HB SER 91 1HB SER 91 -2.900 -0.819 -7.488 664 2HB SER 91 2HB SER 91 -4.646 -0.733 -7.256 665 HG SER 91 HG SER 91 -3.802 -2.875 -7.076 666 H VAL 92 H VAL 92 -2.038 -1.518 -10.447 667 HA VAL 92 HA VAL 92 -0.208 0.620 -9.925 668 HB VAL 92 HB VAL 92 0.131 -1.859 -11.605 669 1HG1 VAL 92 1HG1 VAL 92 1.892 0.544 -11.285 670 2HG1 VAL 92 2HG1 VAL 92 2.622 -1.047 -11.492 671 3HG1 VAL 92 3HG1 VAL 92 1.544 -0.402 -12.731 672 1HG2 VAL 92 1HG2 VAL 92 1.292 -0.973 -8.964 673 2HG2 VAL 92 2HG2 VAL 92 0.127 -2.271 -9.225 674 3HG2 VAL 92 3HG2 VAL 92 1.775 -2.428 -9.836 675 H ASN 93 H ASN 93 -1.665 -0.668 -12.922 676 HA ASN 93 HA ASN 93 -0.577 1.013 -14.706 677 1HB ASN 93 1HB ASN 93 -1.932 -0.183 -15.979 678 2HB ASN 93 2HB ASN 93 -2.872 -0.628 -14.577 679 2HD2 ASN 93 2HD2 ASN 93 -4.910 0.008 -14.525 680 1HD2 ASN 93 1HD2 ASN 93 -5.595 1.281 -15.471 681 H CYS 94 H CYS 94 -3.158 1.635 -12.459 682 HA CYS 94 HA CYS 94 -3.885 4.191 -13.398 683 1HB CYS 94 1HB CYS 94 -5.126 2.691 -11.714 684 2HB CYS 94 2HB CYS 94 -4.028 3.354 -10.507 685 H ALA 95 H ALA 95 -1.694 3.171 -10.768 686 HA ALA 95 HA ALA 95 -0.832 5.829 -10.208 687 1HB ALA 95 1HB ALA 95 -0.408 4.558 -8.406 688 2HB ALA 95 2HB ALA 95 1.173 4.463 -9.180 689 3HB ALA 95 3HB ALA 95 0.022 3.138 -9.359 690 H LYS 96 H LYS 96 0.280 3.330 -12.393 691 HA LYS 96 HA LYS 96 2.805 4.222 -13.035 692 1HB LYS 96 1HB LYS 96 1.327 2.230 -13.980 693 2HB LYS 96 2HB LYS 96 0.966 3.393 -15.247 694 1HG LYS 96 1HG LYS 96 3.569 3.651 -15.332 695 2HG LYS 96 2HG LYS 96 3.540 2.059 -14.572 696 1HD LYS 96 1HD LYS 96 1.832 2.520 -16.966 697 2HD LYS 96 2HD LYS 96 3.570 2.335 -17.199 698 1HE LYS 96 1HE LYS 96 3.575 0.158 -16.415 699 2HE LYS 96 2HE LYS 96 2.078 0.374 -15.509 700 1HZ LYS 96 1HZ LYS 96 2.079 0.514 -18.455 701 2HZ LYS 96 2HZ LYS 96 2.029 -0.983 -17.670 702 3HZ LYS 96 3HZ LYS 96 0.801 0.149 -17.407 703 H LYS 97 H LYS 97 -0.357 5.232 -13.952 704 HA LYS 97 HA LYS 97 0.471 7.370 -15.716 705 1HB LYS 97 1HB LYS 97 -1.835 5.949 -15.512 706 2HB LYS 97 2HB LYS 97 -2.275 7.397 -14.616 707 1HG LYS 97 1HG LYS 97 -2.908 8.058 -16.687 708 2HG LYS 97 2HG LYS 97 -1.221 8.575 -16.747 709 1HD LYS 97 1HD LYS 97 -0.587 6.697 -18.023 710 2HD LYS 97 2HD LYS 97 -2.099 5.856 -17.680 711 1HE LYS 97 1HE LYS 97 -2.105 6.705 -19.953 712 2HE LYS 97 2HE LYS 97 -3.317 7.540 -18.983 713 1HZ LYS 97 1HZ LYS 97 -0.616 8.675 -19.346 714 2HZ LYS 97 2HZ LYS 97 -1.827 8.925 -20.502 715 3HZ LYS 97 3HZ LYS 97 -2.048 9.466 -18.916 716 H ILE 98 H ILE 98 -0.504 6.958 -12.369 717 HA ILE 98 HA ILE 98 -0.909 9.642 -11.710 718 HB ILE 98 HB ILE 98 0.020 7.388 -9.950 719 1HG1 ILE 98 1HG1 ILE 98 -2.700 8.692 -10.249 720 2HG1 ILE 98 2HG1 ILE 98 -2.240 7.169 -11.003 721 1HG2 ILE 98 1HG2 ILE 98 -0.910 10.168 -9.231 722 2HG2 ILE 98 2HG2 ILE 98 -0.722 8.846 -8.079 723 3HG2 ILE 98 3HG2 ILE 98 0.685 9.473 -8.937 724 1HD1 ILE 98 1HD1 ILE 98 -1.816 6.267 -8.711 725 2HD1 ILE 98 2HD1 ILE 98 -2.520 7.752 -8.069 726 3HD1 ILE 98 3HD1 ILE 98 -3.498 6.667 -9.058 727 H VAL 99 H VAL 99 1.981 7.640 -11.481 728 HA VAL 99 HA VAL 99 3.671 9.772 -10.602 729 HB VAL 99 HB VAL 99 4.072 7.359 -10.079 730 1HG1 VAL 99 1HG1 VAL 99 3.821 7.011 -12.808 731 2HG1 VAL 99 2HG1 VAL 99 5.548 6.815 -12.514 732 3HG1 VAL 99 3HG1 VAL 99 4.387 5.810 -11.647 733 1HG2 VAL 99 1HG2 VAL 99 5.866 9.400 -10.469 734 2HG2 VAL 99 2HG2 VAL 99 6.211 7.867 -9.672 735 3HG2 VAL 99 3HG2 VAL 99 6.579 8.072 -11.384 736 H SER 100 H SER 100 2.617 8.608 -13.695 737 HA SER 100 HA SER 100 4.823 9.905 -15.097 738 1HB SER 100 1HB SER 100 3.788 7.670 -15.801 739 2HB SER 100 2HB SER 100 2.414 8.616 -16.375 740 HG SER 100 HG SER 100 5.087 9.116 -17.172 741 H ASP 101 H ASP 101 1.972 10.858 -13.750 742 HA ASP 101 HA ASP 101 1.768 13.144 -15.598 743 1HB ASP 101 1HB ASP 101 -0.306 11.228 -14.858 744 2HB ASP 101 2HB ASP 101 -0.785 12.897 -14.568 745 H GLY 102 H GLY 102 2.116 12.039 -12.423 746 1HA GLY 102 1HA GLY 102 1.066 13.431 -10.546 747 2HA GLY 102 2HA GLY 102 1.734 14.790 -11.434 748 H ASN 103 H ASN 103 2.215 13.038 -8.790 749 HA ASN 103 HA ASN 103 5.120 13.472 -8.866 750 1HB ASN 103 1HB ASN 103 3.059 13.661 -6.719 751 2HB ASN 103 2HB ASN 103 4.695 13.198 -6.258 752 2HD2 ASN 103 2HD2 ASN 103 2.772 15.677 -7.832 753 1HD2 ASN 103 1HD2 ASN 103 3.880 16.974 -7.557 754 H GLY 104 H GLY 104 6.519 11.952 -7.841 755 1HA GLY 104 1HA GLY 104 7.344 9.820 -7.638 756 2HA GLY 104 2HA GLY 104 5.918 9.261 -8.495 757 H MET 105 H MET 105 7.561 9.118 -5.639 758 HA MET 105 HA MET 105 5.370 7.762 -4.320 759 1HB MET 105 1HB MET 105 8.003 8.161 -2.984 760 2HB MET 105 2HB MET 105 6.963 6.744 -3.008 761 1HG MET 105 1HG MET 105 8.774 7.694 -5.212 762 2HG MET 105 2HG MET 105 8.995 6.275 -4.191 763 1HE MET 105 1HE MET 105 6.747 4.877 -3.801 764 2HE MET 105 2HE MET 105 5.350 5.612 -4.585 765 3HE MET 105 3HE MET 105 5.988 4.078 -5.178 766 H ASN 106 H ASN 106 5.865 10.828 -4.688 767 HA ASN 106 HA ASN 106 5.846 11.678 -1.913 768 1HB ASN 106 1HB ASN 106 5.435 13.578 -4.174 769 2HB ASN 106 2HB ASN 106 6.364 13.771 -2.695 770 2HD2 ASN 106 2HD2 ASN 106 8.331 12.379 -2.532 771 1HD2 ASN 106 1HD2 ASN 106 9.276 12.187 -3.965 772 H ALA 107 H ALA 107 3.700 11.321 -4.660 773 HA ALA 107 HA ALA 107 1.553 12.887 -3.834 774 1HB ALA 107 1HB ALA 107 1.584 10.313 -5.401 775 2HB ALA 107 2HB ALA 107 0.159 11.333 -5.205 776 3HB ALA 107 3HB ALA 107 1.582 11.957 -6.038 777 H TRP 108 H TRP 108 2.304 9.508 -3.081 778 HA TRP 108 HA TRP 108 0.004 9.227 -1.381 779 1HB TRP 108 1HB TRP 108 2.381 7.415 -1.849 780 2HB TRP 108 2HB TRP 108 0.969 6.986 -0.884 781 HD1 TRP 108 HD1 TRP 108 -1.381 6.682 -2.230 782 HE1 TRP 108 HE1 TRP 108 -1.846 6.044 -4.681 783 HE3 TRP 108 HE3 TRP 108 3.242 7.608 -4.202 784 HZ2 TRP 108 HZ2 TRP 108 -0.437 5.947 -7.138 785 HZ3 TRP 108 HZ3 TRP 108 3.600 7.221 -6.602 786 HH2 TRP 108 HH2 TRP 108 1.801 6.405 -8.036 787 H VAL 109 H VAL 109 -0.124 9.462 0.744 788 HA VAL 109 HA VAL 109 1.914 10.900 2.118 789 HB VAL 109 HB VAL 109 -0.268 9.803 3.662 790 1HG1 VAL 109 1HG1 VAL 109 1.026 12.481 3.338 791 2HG1 VAL 109 2HG1 VAL 109 -0.427 12.253 4.312 792 3HG1 VAL 109 3HG1 VAL 109 1.061 11.408 4.738 793 1HG2 VAL 109 1HG2 VAL 109 -1.401 10.132 1.533 794 2HG2 VAL 109 2HG2 VAL 109 -1.942 11.322 2.717 795 3HG2 VAL 109 3HG2 VAL 109 -0.793 11.786 1.464 796 H ALA 110 H ALA 110 1.139 7.529 1.999 797 HA ALA 110 HA ALA 110 2.180 6.882 4.576 798 1HB ALA 110 1HB ALA 110 1.984 5.012 2.226 799 2HB ALA 110 2HB ALA 110 1.968 4.608 3.942 800 3HB ALA 110 3HB ALA 110 0.599 5.454 3.224 801 H TRP 111 H TRP 111 3.541 7.421 1.461 802 HA TRP 111 HA TRP 111 6.090 6.237 2.182 803 1HB TRP 111 1HB TRP 111 5.307 6.096 -0.153 804 2HB TRP 111 2HB TRP 111 5.350 7.847 -0.272 805 HD1 TRP 111 HD1 TRP 111 7.509 4.802 -0.595 806 HE1 TRP 111 HE1 TRP 111 9.908 5.492 -1.220 807 HE3 TRP 111 HE3 TRP 111 7.141 9.846 0.180 808 HZ2 TRP 111 HZ2 TRP 111 11.441 7.856 -1.372 809 HZ3 TRP 111 HZ3 TRP 111 9.121 11.248 -0.228 810 HH2 TRP 111 HH2 TRP 111 11.226 10.272 -0.986 811 H ARG 112 H ARG 112 4.593 9.432 1.961 812 HA ARG 112 HA ARG 112 7.104 10.724 2.680 813 1HB ARG 112 1HB ARG 112 4.502 11.560 1.591 814 2HB ARG 112 2HB ARG 112 5.250 12.689 2.710 815 1HG ARG 112 1HG ARG 112 7.332 12.018 1.056 816 2HG ARG 112 2HG ARG 112 5.949 12.044 -0.041 817 1HD ARG 112 1HD ARG 112 7.149 14.230 0.200 818 2HD ARG 112 2HD ARG 112 5.421 14.287 0.548 819 HE ARG 112 HE ARG 112 6.862 13.843 2.931 820 1HH1 ARG 112 1HH1 ARG 112 6.198 16.336 0.587 821 2HH1 ARG 112 2HH1 ARG 112 6.405 17.631 1.717 822 1HH2 ARG 112 1HH2 ARG 112 7.136 15.544 4.425 823 2HH2 ARG 112 2HH2 ARG 112 6.938 17.182 3.898 824 H ASN 113 H ASN 113 6.275 9.004 4.619 825 HA ASN 113 HA ASN 113 5.784 10.833 6.819 826 1HB ASN 113 1HB ASN 113 3.771 8.956 5.844 827 2HB ASN 113 2HB ASN 113 4.152 8.715 7.546 828 2HD2 ASN 113 2HD2 ASN 113 1.719 9.715 6.287 829 1HD2 ASN 113 1HD2 ASN 113 1.436 11.277 6.970 830 H ARG 114 H ARG 114 5.802 7.334 6.235 831 HA ARG 114 HA ARG 114 7.802 7.065 8.371 832 1HB ARG 114 1HB ARG 114 5.545 5.388 7.435 833 2HB ARG 114 2HB ARG 114 6.976 4.551 8.006 834 1HG ARG 114 1HG ARG 114 5.470 6.627 9.580 835 2HG ARG 114 2HG ARG 114 5.257 4.884 9.751 836 1HD ARG 114 1HD ARG 114 8.041 5.764 9.923 837 2HD ARG 114 2HD ARG 114 7.006 6.421 11.190 838 HE ARG 114 HE ARG 114 6.648 3.607 10.846 839 1HH1 ARG 114 1HH1 ARG 114 8.686 6.028 12.307 840 2HH1 ARG 114 2HH1 ARG 114 9.254 4.977 13.561 841 1HH2 ARG 114 1HH2 ARG 114 7.391 2.218 12.494 842 2HH2 ARG 114 2HH2 ARG 114 8.519 2.811 13.667 843 H CYS 115 H CYS 115 7.815 7.351 5.163 844 HA CYS 115 HA CYS 115 9.869 5.274 4.794 845 1HB CYS 115 1HB CYS 115 7.697 5.302 3.361 846 2HB CYS 115 2HB CYS 115 8.493 6.613 2.495 847 H LYS 116 H LYS 116 9.021 8.596 3.783 848 HA LYS 116 HA LYS 116 11.369 9.265 2.512 849 1HB LYS 116 1HB LYS 116 9.156 10.602 2.874 850 2HB LYS 116 2HB LYS 116 9.992 11.260 4.274 851 1HG LYS 116 1HG LYS 116 11.861 11.553 2.303 852 2HG LYS 116 2HG LYS 116 10.349 11.828 1.436 853 1HD LYS 116 1HD LYS 116 10.022 13.806 2.431 854 2HD LYS 116 2HD LYS 116 10.433 13.165 4.023 855 1HE LYS 116 1HE LYS 116 12.688 13.477 2.154 856 2HE LYS 116 2HE LYS 116 11.926 14.977 2.681 857 1HZ LYS 116 1HZ LYS 116 12.870 12.866 4.540 858 2HZ LYS 116 2HZ LYS 116 13.792 14.215 4.105 859 3HZ LYS 116 3HZ LYS 116 12.338 14.422 4.943 860 H GLY 117 H GLY 117 13.275 8.627 3.396 861 1HA GLY 117 1HA GLY 117 13.930 9.769 6.040 862 2HA GLY 117 2HA GLY 117 15.072 9.717 4.708 863 H THR 118 H THR 118 13.699 6.888 4.229 864 HA THR 118 HA THR 118 15.378 5.497 6.208 865 HB THR 118 HB THR 118 13.862 3.603 6.099 866 HG1 THR 118 HG1 THR 118 11.746 4.264 4.907 867 1HG2 THR 118 1HG2 THR 118 12.930 6.278 6.891 868 2HG2 THR 118 2HG2 THR 118 11.657 5.073 6.700 869 3HG2 THR 118 3HG2 THR 118 12.990 4.777 7.816 870 H ASP 119 H ASP 119 14.762 2.953 4.725 871 HA ASP 119 HA ASP 119 16.290 3.387 2.278 872 1HB ASP 119 1HB ASP 119 17.626 2.617 4.368 873 2HB ASP 119 2HB ASP 119 16.971 1.063 3.907 874 H VAL 120 H VAL 120 14.715 2.874 0.862 875 HA VAL 120 HA VAL 120 12.919 0.694 1.208 876 HB VAL 120 HB VAL 120 12.329 1.118 -1.191 877 1HG1 VAL 120 1HG1 VAL 120 11.145 2.242 0.615 878 2HG1 VAL 120 2HG1 VAL 120 12.353 3.527 0.624 879 3HG1 VAL 120 3HG1 VAL 120 11.310 3.308 -0.781 880 1HG2 VAL 120 1HG2 VAL 120 14.796 2.644 -1.045 881 2HG2 VAL 120 2HG2 VAL 120 13.900 2.076 -2.455 882 3HG2 VAL 120 3HG2 VAL 120 13.455 3.596 -1.679 883 H GLN 121 H GLN 121 16.007 1.168 -0.362 884 HA GLN 121 HA GLN 121 16.056 -1.133 -1.971 885 1HB GLN 121 1HB GLN 121 17.876 0.914 -1.218 886 2HB GLN 121 2HB GLN 121 18.663 -0.623 -0.890 887 1HG GLN 121 1HG GLN 121 18.633 -1.266 -3.107 888 2HG GLN 121 2HG GLN 121 17.321 -0.161 -3.515 889 2HE2 GLN 121 2HE2 GLN 121 20.373 -0.689 -4.183 890 1HE2 GLN 121 1HE2 GLN 121 20.974 0.922 -4.361 891 H ALA 122 H ALA 122 16.241 -0.650 1.404 892 HA ALA 122 HA ALA 122 17.371 -3.273 1.956 893 1HB ALA 122 1HB ALA 122 16.615 -0.917 3.642 894 2HB ALA 122 2HB ALA 122 18.177 -1.717 3.482 895 3HB ALA 122 3HB ALA 122 16.874 -2.499 4.377 896 H TRP 123 H TRP 123 14.310 -1.694 1.662 897 HA TRP 123 HA TRP 123 12.732 -3.387 3.277 898 1HB TRP 123 1HB TRP 123 12.215 -1.524 1.016 899 2HB TRP 123 2HB TRP 123 10.960 -2.698 1.396 900 HD1 TRP 123 HD1 TRP 123 11.398 0.692 1.997 901 HE1 TRP 123 HE1 TRP 123 10.514 1.476 4.286 902 HE3 TRP 123 HE3 TRP 123 11.104 -3.805 4.377 903 HZ2 TRP 123 HZ2 TRP 123 9.800 0.303 6.741 904 HZ3 TRP 123 HZ3 TRP 123 10.313 -3.898 6.685 905 HH2 TRP 123 HH2 TRP 123 9.668 -1.861 7.855 906 H ILE 124 H ILE 124 14.396 -3.992 0.387 907 HA ILE 124 HA ILE 124 12.919 -6.517 0.036 908 HB ILE 124 HB ILE 124 13.498 -6.394 -2.397 909 1HG1 ILE 124 1HG1 ILE 124 13.831 -3.441 -2.111 910 2HG1 ILE 124 2HG1 ILE 124 15.226 -4.468 -1.797 911 1HG2 ILE 124 1HG2 ILE 124 11.597 -4.540 -1.049 912 2HG2 ILE 124 2HG2 ILE 124 11.780 -4.451 -2.801 913 3HG2 ILE 124 3HG2 ILE 124 11.275 -5.961 -2.043 914 1HD1 ILE 124 1HD1 ILE 124 13.862 -5.176 -4.256 915 2HD1 ILE 124 2HD1 ILE 124 14.427 -3.505 -4.243 916 3HD1 ILE 124 3HD1 ILE 124 15.564 -4.823 -3.961 917 H ARG 125 H ARG 125 15.540 -5.490 1.329 918 HA ARG 125 HA ARG 125 17.697 -6.668 -0.056 919 1HB ARG 125 1HB ARG 125 17.836 -4.971 1.814 920 2HB ARG 125 2HB ARG 125 17.508 -6.288 2.932 921 1HG ARG 125 1HG ARG 125 19.803 -6.156 2.994 922 2HG ARG 125 2HG ARG 125 19.540 -7.425 1.796 923 1HD ARG 125 1HD ARG 125 20.637 -6.247 0.269 924 2HD ARG 125 2HD ARG 125 19.517 -4.901 0.475 925 HE ARG 125 HE ARG 125 21.004 -3.949 2.055 926 1HH1 ARG 125 1HH1 ARG 125 22.243 -6.830 0.536 927 2HH1 ARG 125 2HH1 ARG 125 23.889 -6.503 0.965 928 1HH2 ARG 125 1HH2 ARG 125 23.168 -3.511 2.624 929 2HH2 ARG 125 2HH2 ARG 125 24.415 -4.617 2.153 930 H GLY 126 H GLY 126 17.608 -8.759 -0.636 931 1HA GLY 126 1HA GLY 126 17.215 -10.728 1.523 932 2HA GLY 126 2HA GLY 126 18.187 -10.992 0.084 933 H CYS 127 H CYS 127 15.455 -9.391 -0.858 934 HA CYS 127 HA CYS 127 13.497 -11.380 -0.862 935 1HB CYS 127 1HB CYS 127 13.922 -8.850 -2.232 936 2HB CYS 127 2HB CYS 127 12.765 -9.934 -2.975 937 H ARG 128 H ARG 128 13.322 -13.209 -1.977 938 HA ARG 128 HA ARG 128 15.225 -13.806 -4.067 939 1HB ARG 128 1HB ARG 128 12.946 -15.515 -3.062 940 2HB ARG 128 2HB ARG 128 14.338 -16.050 -3.991 941 1HG ARG 128 1HG ARG 128 15.417 -16.471 -2.111 942 2HG ARG 128 2HG ARG 128 15.321 -14.762 -1.679 943 1HD ARG 128 1HD ARG 128 13.667 -15.104 -0.196 944 2HD ARG 128 2HD ARG 128 12.845 -16.268 -1.236 945 HE ARG 128 HE ARG 128 15.209 -16.988 0.371 946 1HH1 ARG 128 1HH1 ARG 128 11.966 -17.597 -0.751 947 2HH1 ARG 128 2HH1 ARG 128 11.844 -19.135 0.038 948 1HH2 ARG 128 1HH2 ARG 128 15.057 -19.010 1.413 949 2HH2 ARG 128 2HH2 ARG 128 13.601 -19.937 1.269 950 H LEU 129 H LEU 129 14.734 -12.623 -5.867 951 HA LEU 129 HA LEU 129 12.477 -13.532 -7.416 952 1HB LEU 129 1HB LEU 129 11.452 -11.401 -7.765 953 2HB LEU 129 2HB LEU 129 11.539 -11.691 -6.037 954 HG LEU 129 HG LEU 129 13.874 -10.288 -6.601 955 1HD1 LEU 129 1HD1 LEU 129 11.626 -9.411 -8.355 956 2HD1 LEU 129 2HD1 LEU 129 12.718 -8.210 -7.666 957 3HD1 LEU 129 3HD1 LEU 129 13.354 -9.493 -8.697 958 1HD2 LEU 129 1HD2 LEU 129 11.807 -10.165 -4.839 959 2HD2 LEU 129 2HD2 LEU 129 13.109 -8.980 -4.947 960 3HD2 LEU 129 3HD2 LEU 129 11.573 -8.679 -5.759 No H/Q in entry = 960 Start of MODEL 24 1 H1 LYS 1 H1 LYS 1 -6.786 -9.789 2.613 2 H2 LYS 1 H2 LYS 1 -7.539 -9.824 1.098 3 H3 LYS 1 H3 LYS 1 -7.683 -11.145 2.145 4 HA LYS 1 HA LYS 1 -5.444 -11.753 1.892 5 1HB LYS 1 1HB LYS 1 -7.233 -11.964 -0.069 6 2HB LYS 1 2HB LYS 1 -6.078 -10.936 -0.906 7 1HG LYS 1 1HG LYS 1 -4.498 -12.903 0.208 8 2HG LYS 1 2HG LYS 1 -5.951 -13.768 -0.299 9 1HD LYS 1 1HD LYS 1 -5.156 -11.899 -2.330 10 2HD LYS 1 2HD LYS 1 -3.796 -12.937 -1.900 11 1HE LYS 1 1HE LYS 1 -4.857 -14.141 -3.576 12 2HE LYS 1 2HE LYS 1 -5.498 -14.867 -2.101 13 1HZ LYS 1 1HZ LYS 1 -6.977 -12.627 -3.254 14 2HZ LYS 1 2HZ LYS 1 -7.052 -14.107 -4.070 15 3HZ LYS 1 3HZ LYS 1 -7.550 -14.004 -2.457 16 H VAL 2 H VAL 2 -3.708 -10.633 2.564 17 HA VAL 2 HA VAL 2 -2.948 -8.171 1.160 18 HB VAL 2 HB VAL 2 -2.046 -9.352 3.790 19 1HG1 VAL 2 1HG1 VAL 2 -0.396 -7.919 2.176 20 2HG1 VAL 2 2HG1 VAL 2 -1.162 -6.636 3.110 21 3HG1 VAL 2 3HG1 VAL 2 -0.303 -7.934 3.938 22 1HG2 VAL 2 1HG2 VAL 2 -4.084 -7.474 3.014 23 2HG2 VAL 2 2HG2 VAL 2 -3.759 -8.189 4.594 24 3HG2 VAL 2 3HG2 VAL 2 -2.919 -6.719 4.101 25 H PHE 3 H PHE 3 -0.959 -7.947 0.114 26 HA PHE 3 HA PHE 3 0.319 -10.377 -0.748 27 1HB PHE 3 1HB PHE 3 0.948 -7.461 -1.263 28 2HB PHE 3 2HB PHE 3 1.847 -8.795 -1.968 29 HD1 PHE 3 HD1 PHE 3 -0.279 -10.643 -2.761 30 HD2 PHE 3 HD2 PHE 3 -0.093 -6.400 -2.981 31 HE1 PHE 3 HE1 PHE 3 -1.827 -10.675 -4.670 32 HE2 PHE 3 HE2 PHE 3 -1.641 -6.424 -4.882 33 HZ PHE 3 HZ PHE 3 -2.510 -8.560 -5.735 34 H GLY 4 H GLY 4 2.764 -10.454 -0.707 35 1HA GLY 4 1HA GLY 4 4.470 -10.979 0.824 36 2HA GLY 4 2HA GLY 4 3.654 -9.993 2.032 37 H ARG 5 H ARG 5 6.458 -9.896 1.369 38 HA ARG 5 HA ARG 5 6.611 -7.061 0.715 39 1HB ARG 5 1HB ARG 5 8.751 -8.953 1.709 40 2HB ARG 5 2HB ARG 5 8.938 -7.216 1.508 41 1HG ARG 5 1HG ARG 5 7.831 -6.740 3.408 42 2HG ARG 5 2HG ARG 5 6.688 -8.070 3.204 43 1HD ARG 5 1HD ARG 5 9.331 -9.099 3.652 44 2HD ARG 5 2HD ARG 5 8.907 -7.952 4.923 45 HE ARG 5 HE ARG 5 6.728 -9.434 4.907 46 1HH1 ARG 5 1HH1 ARG 5 10.059 -10.432 4.686 47 2HH1 ARG 5 2HH1 ARG 5 9.785 -11.964 5.448 48 1HH2 ARG 5 1HH2 ARG 5 6.358 -11.447 5.912 49 2HH2 ARG 5 2HH2 ARG 5 7.682 -12.541 6.144 50 H CYS 6 H CYS 6 8.264 -10.057 -0.294 51 HA CYS 6 HA CYS 6 9.277 -8.683 -2.629 52 1HB CYS 6 1HB CYS 6 9.533 -11.635 -2.281 53 2HB CYS 6 2HB CYS 6 10.652 -10.473 -2.987 54 H GLU 7 H GLU 7 6.780 -11.035 -1.841 55 HA GLU 7 HA GLU 7 6.142 -12.047 -4.313 56 1HB GLU 7 1HB GLU 7 4.284 -11.116 -2.115 57 2HB GLU 7 2HB GLU 7 3.737 -12.014 -3.524 58 1HG GLU 7 1HG GLU 7 5.218 -13.870 -2.892 59 2HG GLU 7 2HG GLU 7 5.701 -12.971 -1.454 60 H LEU 8 H LEU 8 4.955 -9.018 -2.903 61 HA LEU 8 HA LEU 8 3.695 -8.126 -5.274 62 1HB LEU 8 1HB LEU 8 2.940 -7.114 -3.285 63 2HB LEU 8 2HB LEU 8 4.570 -6.724 -2.764 64 HG LEU 8 HG LEU 8 4.623 -5.188 -4.859 65 1HD1 LEU 8 1HD1 LEU 8 2.452 -6.144 -5.716 66 2HD1 LEU 8 2HD1 LEU 8 1.650 -5.243 -4.430 67 3HD1 LEU 8 3HD1 LEU 8 2.561 -4.385 -5.672 68 1HD2 LEU 8 1HD2 LEU 8 3.003 -4.567 -2.398 69 2HD2 LEU 8 2HD2 LEU 8 4.728 -4.293 -2.644 70 3HD2 LEU 8 3HD2 LEU 8 3.546 -3.359 -3.563 71 H ALA 9 H ALA 9 6.964 -7.671 -3.907 72 HA ALA 9 HA ALA 9 7.815 -5.662 -5.664 73 1HB ALA 9 1HB ALA 9 9.985 -7.426 -5.118 74 2HB ALA 9 2HB ALA 9 9.655 -5.823 -4.460 75 3HB ALA 9 3HB ALA 9 8.990 -7.253 -3.672 76 H ALA 10 H ALA 10 8.231 -9.198 -5.973 77 HA ALA 10 HA ALA 10 9.500 -9.259 -8.419 78 1HB ALA 10 1HB ALA 10 8.939 -11.509 -8.540 79 2HB ALA 10 2HB ALA 10 7.368 -11.262 -7.777 80 3HB ALA 10 3HB ALA 10 8.840 -11.191 -6.808 81 H ALA 11 H ALA 11 6.085 -8.922 -7.621 82 HA ALA 11 HA ALA 11 5.120 -9.036 -10.262 83 1HB ALA 11 1HB ALA 11 3.836 -9.171 -8.005 84 2HB ALA 11 2HB ALA 11 3.048 -8.471 -9.419 85 3HB ALA 11 3HB ALA 11 3.737 -7.419 -8.183 86 H MET 12 H MET 12 6.227 -6.481 -8.256 87 HA MET 12 HA MET 12 5.543 -4.261 -9.814 88 1HB MET 12 1HB MET 12 8.129 -4.438 -8.290 89 2HB MET 12 2HB MET 12 7.159 -3.018 -8.595 90 1HG MET 12 1HG MET 12 6.437 -5.294 -6.783 91 2HG MET 12 2HG MET 12 6.984 -3.697 -6.290 92 1HE MET 12 1HE MET 12 5.889 -1.799 -7.972 93 2HE MET 12 2HE MET 12 4.151 -1.516 -7.897 94 3HE MET 12 3HE MET 12 5.127 -1.399 -6.433 95 H LYS 13 H LYS 13 8.565 -6.125 -9.758 96 HA LYS 13 HA LYS 13 9.959 -4.792 -11.737 97 1HB LYS 13 1HB LYS 13 10.768 -6.691 -10.244 98 2HB LYS 13 2HB LYS 13 10.016 -7.790 -11.393 99 1HG LYS 13 1HG LYS 13 12.032 -7.794 -12.360 100 2HG LYS 13 2HG LYS 13 11.511 -6.256 -13.052 101 1HD LYS 13 1HD LYS 13 12.792 -5.013 -11.599 102 2HD LYS 13 2HD LYS 13 12.798 -6.271 -10.362 103 1HE LYS 13 1HE LYS 13 14.895 -6.641 -11.079 104 2HE LYS 13 2HE LYS 13 14.099 -7.529 -12.377 105 1HZ LYS 13 1HZ LYS 13 14.644 -4.640 -12.632 106 2HZ LYS 13 2HZ LYS 13 15.840 -5.781 -12.992 107 3HZ LYS 13 3HZ LYS 13 14.382 -5.780 -13.853 108 H ARG 14 H ARG 14 7.663 -7.467 -12.052 109 HA ARG 14 HA ARG 14 7.856 -7.738 -14.846 110 1HB ARG 14 1HB ARG 14 5.687 -8.438 -12.870 111 2HB ARG 14 2HB ARG 14 5.526 -8.770 -14.589 112 1HG ARG 14 1HG ARG 14 7.312 -10.302 -14.567 113 2HG ARG 14 2HG ARG 14 7.848 -9.770 -12.971 114 1HD ARG 14 1HD ARG 14 6.712 -11.899 -12.793 115 2HD ARG 14 2HD ARG 14 5.762 -10.641 -12.003 116 HE ARG 14 HE ARG 14 4.553 -10.641 -14.308 117 1HH1 ARG 14 1HH1 ARG 14 5.785 -13.406 -12.582 118 2HH1 ARG 14 2HH1 ARG 14 4.610 -14.499 -13.235 119 1HH2 ARG 14 1HH2 ARG 14 3.004 -12.073 -15.173 120 2HH2 ARG 14 2HH2 ARG 14 3.030 -13.740 -14.708 121 H HIS 15 H HIS 15 5.755 -5.774 -12.764 122 HA HIS 15 HA HIS 15 4.227 -4.741 -14.925 123 1HB HIS 15 1HB HIS 15 4.440 -4.232 -11.995 124 2HB HIS 15 2HB HIS 15 3.640 -3.026 -12.998 125 HD1 HIS 15 HD1 HIS 15 2.256 -4.880 -10.809 126 HD2 HIS 15 HD2 HIS 15 2.159 -5.431 -14.926 127 HE1 HIS 15 HE1 HIS 15 0.195 -6.246 -11.255 128 HE2 HIS 15 HE2 HIS 15 0.205 -6.643 -13.743 129 H GLY 16 H GLY 16 7.415 -4.084 -14.063 130 1HA GLY 16 1HA GLY 16 7.404 -1.784 -15.736 131 2HA GLY 16 2HA GLY 16 8.794 -2.536 -14.987 132 H LEU 17 H LEU 17 7.410 -2.147 -12.211 133 HA LEU 17 HA LEU 17 7.526 0.751 -12.103 134 1HB LEU 17 1HB LEU 17 7.175 -0.971 -9.690 135 2HB LEU 17 2HB LEU 17 6.601 0.657 -9.967 136 HG LEU 17 HG LEU 17 5.353 -1.926 -10.609 137 1HD1 LEU 17 1HD1 LEU 17 4.761 0.276 -9.085 138 2HD1 LEU 17 2HD1 LEU 17 3.732 0.495 -10.500 139 3HD1 LEU 17 3HD1 LEU 17 3.624 -0.988 -9.551 140 1HD2 LEU 17 1HD2 LEU 17 5.405 0.337 -12.570 141 2HD2 LEU 17 2HD2 LEU 17 5.478 -1.400 -12.864 142 3HD2 LEU 17 3HD2 LEU 17 3.953 -0.648 -12.398 143 H ASP 18 H ASP 18 9.681 -1.686 -11.946 144 HA ASP 18 HA ASP 18 11.349 -0.738 -9.830 145 1HB ASP 18 1HB ASP 18 11.792 -2.953 -10.208 146 2HB ASP 18 2HB ASP 18 11.602 -2.814 -11.945 147 H ASN 19 H ASN 19 11.816 1.351 -10.078 148 HA ASN 19 HA ASN 19 12.958 3.200 -10.706 149 1HB ASN 19 1HB ASN 19 14.784 1.322 -11.017 150 2HB ASN 19 2HB ASN 19 14.549 1.662 -12.729 151 2HD2 ASN 19 2HD2 ASN 19 14.950 3.445 -9.684 152 1HD2 ASN 19 1HD2 ASN 19 16.061 4.607 -10.316 153 H TYR 20 H TYR 20 10.561 2.517 -11.968 154 HA TYR 20 HA TYR 20 10.704 3.047 -14.768 155 1HB TYR 20 1HB TYR 20 8.735 1.976 -13.622 156 2HB TYR 20 2HB TYR 20 8.370 3.535 -12.893 157 HD1 TYR 20 HD1 TYR 20 8.842 1.920 -16.222 158 HD2 TYR 20 HD2 TYR 20 6.942 5.002 -13.989 159 HE1 TYR 20 HE1 TYR 20 7.510 2.524 -18.199 160 HE2 TYR 20 HE2 TYR 20 5.604 5.614 -15.960 161 HH TYR 20 HH TYR 20 5.769 5.396 -18.437 162 H ARG 21 H ARG 21 9.734 5.130 -15.693 163 HA ARG 21 HA ARG 21 11.134 7.298 -15.453 164 1HB ARG 21 1HB ARG 21 8.112 7.336 -15.459 165 2HB ARG 21 2HB ARG 21 9.116 8.734 -15.820 166 1HG ARG 21 1HG ARG 21 10.053 6.688 -17.480 167 2HG ARG 21 2HG ARG 21 8.291 6.588 -17.535 168 1HD ARG 21 1HD ARG 21 8.412 9.161 -17.848 169 2HD ARG 21 2HD ARG 21 10.087 8.855 -18.308 170 HE ARG 21 HE ARG 21 7.694 8.023 -19.763 171 1HH1 ARG 21 1HH1 ARG 21 11.168 8.067 -19.497 172 2HH1 ARG 21 2HH1 ARG 21 11.429 7.610 -21.147 173 1HH2 ARG 21 1HH2 ARG 21 8.028 7.421 -21.936 174 2HH2 ARG 21 2HH2 ARG 21 9.644 7.244 -22.533 175 H GLY 22 H GLY 22 8.791 6.330 -13.042 176 1HA GLY 22 1HA GLY 22 8.236 7.239 -10.989 177 2HA GLY 22 2HA GLY 22 9.201 8.652 -11.384 178 H TYR 23 H TYR 23 9.152 5.551 -9.837 179 HA TYR 23 HA TYR 23 11.951 5.938 -9.043 180 1HB TYR 23 1HB TYR 23 9.589 5.491 -7.242 181 2HB TYR 23 2HB TYR 23 11.244 5.226 -6.711 182 HD1 TYR 23 HD1 TYR 23 8.923 7.796 -8.036 183 HD2 TYR 23 HD2 TYR 23 12.586 7.040 -6.008 184 HE1 TYR 23 HE1 TYR 23 9.112 10.188 -7.503 185 HE2 TYR 23 HE2 TYR 23 12.786 9.431 -5.470 186 HH TYR 23 HH TYR 23 11.993 11.557 -6.200 187 H SER 24 H SER 24 12.630 4.072 -7.503 188 HA SER 24 HA SER 24 12.495 1.686 -9.114 189 1HB SER 24 1HB SER 24 14.360 0.906 -7.832 190 2HB SER 24 2HB SER 24 14.638 2.609 -8.195 191 HG SER 24 HG SER 24 15.075 2.258 -6.030 192 H LEU 25 H LEU 25 12.482 -0.432 -7.982 193 HA LEU 25 HA LEU 25 10.069 -1.137 -7.022 194 1HB LEU 25 1HB LEU 25 12.748 -2.277 -7.020 195 2HB LEU 25 2HB LEU 25 11.753 -2.883 -5.710 196 HG LEU 25 HG LEU 25 10.592 -2.845 -8.440 197 1HD1 LEU 25 1HD1 LEU 25 13.000 -3.776 -8.473 198 2HD1 LEU 25 2HD1 LEU 25 12.315 -5.138 -7.587 199 3HD1 LEU 25 3HD1 LEU 25 11.707 -4.735 -9.193 200 1HD2 LEU 25 1HD2 LEU 25 10.415 -4.644 -6.030 201 2HD2 LEU 25 2HD2 LEU 25 9.180 -3.547 -6.649 202 3HD2 LEU 25 3HD2 LEU 25 9.626 -4.984 -7.570 203 H GLY 26 H GLY 26 12.891 -0.658 -4.872 204 1HA GLY 26 1HA GLY 26 12.995 0.185 -2.729 205 2HA GLY 26 2HA GLY 26 11.780 -1.047 -2.438 206 H ASN 27 H ASN 27 11.380 1.888 -4.367 207 HA ASN 27 HA ASN 27 10.097 3.381 -2.323 208 1HB ASN 27 1HB ASN 27 9.732 3.808 -5.283 209 2HB ASN 27 2HB ASN 27 9.619 5.002 -3.992 210 2HD2 ASN 27 2HD2 ASN 27 11.523 5.715 -2.979 211 1HD2 ASN 27 1HD2 ASN 27 13.061 5.562 -3.752 212 H TRP 28 H TRP 28 8.932 1.171 -4.777 213 HA TRP 28 HA TRP 28 6.163 1.797 -4.452 214 1HB TRP 28 1HB TRP 28 7.520 -0.611 -5.659 215 2HB TRP 28 2HB TRP 28 5.790 -0.268 -5.758 216 HD1 TRP 28 HD1 TRP 28 9.077 0.619 -7.312 217 HE1 TRP 28 HE1 TRP 28 8.723 2.340 -9.182 218 HE3 TRP 28 HE3 TRP 28 4.173 1.722 -6.454 219 HZ2 TRP 28 HZ2 TRP 28 6.617 3.940 -10.197 220 HZ3 TRP 28 HZ3 TRP 28 3.042 3.344 -7.914 221 HH2 TRP 28 HH2 TRP 28 4.244 4.435 -9.753 222 H VAL 29 H VAL 29 8.334 -0.652 -3.090 223 HA VAL 29 HA VAL 29 6.301 -2.088 -1.750 224 HB VAL 29 HB VAL 29 9.255 -1.916 -1.140 225 1HG1 VAL 29 1HG1 VAL 29 7.257 -3.046 0.400 226 2HG1 VAL 29 2HG1 VAL 29 7.925 -4.409 -0.497 227 3HG1 VAL 29 3HG1 VAL 29 8.981 -3.402 0.493 228 1HG2 VAL 29 1HG2 VAL 29 8.189 -2.788 -3.456 229 2HG2 VAL 29 2HG2 VAL 29 9.676 -3.430 -2.756 230 3HG2 VAL 29 3HG2 VAL 29 8.149 -4.276 -2.510 231 H CYS 30 H CYS 30 8.642 0.339 -0.676 232 HA CYS 30 HA CYS 30 7.872 0.455 1.996 233 1HB CYS 30 1HB CYS 30 9.902 1.495 0.843 234 2HB CYS 30 2HB CYS 30 8.837 2.827 0.410 235 H ALA 31 H ALA 31 6.759 2.416 -0.763 236 HA ALA 31 HA ALA 31 4.984 4.037 0.692 237 1HB ALA 31 1HB ALA 31 5.173 3.305 -2.210 238 2HB ALA 31 2HB ALA 31 3.903 4.365 -1.600 239 3HB ALA 31 3HB ALA 31 5.596 4.825 -1.421 240 H ALA 32 H ALA 32 4.433 1.029 -1.117 241 HA ALA 32 HA ALA 32 1.638 0.950 -0.661 242 1HB ALA 32 1HB ALA 32 3.142 -0.330 -2.382 243 2HB ALA 32 2HB ALA 32 3.194 -1.549 -1.110 244 3HB ALA 32 3HB ALA 32 1.646 -1.048 -1.786 245 H LYS 33 H LYS 33 4.356 -0.696 0.941 246 HA LYS 33 HA LYS 33 3.039 -2.313 2.694 247 1HB LYS 33 1HB LYS 33 5.521 -2.124 2.388 248 2HB LYS 33 2HB LYS 33 5.481 -0.687 3.400 249 1HG LYS 33 1HG LYS 33 4.597 -2.024 5.253 250 2HG LYS 33 2HG LYS 33 4.670 -3.464 4.236 251 1HD LYS 33 1HD LYS 33 7.096 -3.179 4.020 252 2HD LYS 33 2HD LYS 33 7.016 -1.748 5.048 253 1HE LYS 33 1HE LYS 33 6.117 -4.491 5.910 254 2HE LYS 33 2HE LYS 33 7.729 -3.845 6.216 255 1HZ LYS 33 1HZ LYS 33 6.239 -1.876 7.175 256 2HZ LYS 33 2HZ LYS 33 5.191 -3.171 7.464 257 3HZ LYS 33 3HZ LYS 33 6.752 -3.183 8.118 258 H PHE 34 H PHE 34 4.061 1.033 3.404 259 HA PHE 34 HA PHE 34 2.604 1.045 5.841 260 1HB PHE 34 1HB PHE 34 4.274 2.932 4.399 261 2HB PHE 34 2HB PHE 34 3.114 3.641 5.504 262 HD1 PHE 34 HD1 PHE 34 3.076 2.460 7.884 263 HD2 PHE 34 HD2 PHE 34 6.365 2.423 5.183 264 HE1 PHE 34 HE1 PHE 34 4.604 1.998 9.757 265 HE2 PHE 34 HE2 PHE 34 7.898 1.961 7.051 266 HZ PHE 34 HZ PHE 34 7.018 1.747 9.341 267 H GLU 35 H GLU 35 1.755 1.742 2.604 268 HA GLU 35 HA GLU 35 -0.320 3.590 3.090 269 1HB GLU 35 1HB GLU 35 0.854 2.236 0.871 270 2HB GLU 35 2HB GLU 35 -0.888 2.021 0.787 271 1HG GLU 35 1HG GLU 35 -1.290 4.283 0.555 272 2HG GLU 35 2HG GLU 35 0.259 4.735 1.266 273 H SER 36 H SER 36 -0.422 0.108 2.381 274 HA SER 36 HA SER 36 -2.995 -0.039 3.816 275 1HB SER 36 1HB SER 36 -3.717 -1.682 2.015 276 2HB SER 36 2HB SER 36 -3.582 -0.004 1.494 277 HG SER 36 HG SER 36 -2.070 -2.212 0.796 278 H ASN 37 H ASN 37 0.026 -1.024 4.048 279 HA ASN 37 HA ASN 37 1.093 -2.810 4.997 280 1HB ASN 37 1HB ASN 37 -1.083 -2.488 6.519 281 2HB ASN 37 2HB ASN 37 -1.472 -4.072 5.852 282 2HD2 ASN 37 2HD2 ASN 37 1.298 -2.353 7.258 283 1HD2 ASN 37 1HD2 ASN 37 1.838 -3.673 8.233 284 H PHE 38 H PHE 38 0.081 -2.857 2.300 285 HA PHE 38 HA PHE 38 0.128 -4.144 0.491 286 1HB PHE 38 1HB PHE 38 0.974 -6.270 2.459 287 2HB PHE 38 2HB PHE 38 0.892 -6.524 0.718 288 HD1 PHE 38 HD1 PHE 38 1.911 -3.993 -0.322 289 HD2 PHE 38 HD2 PHE 38 3.235 -6.325 2.981 290 HE1 PHE 38 HE1 PHE 38 4.166 -3.047 -0.569 291 HE2 PHE 38 HE2 PHE 38 5.493 -5.382 2.742 292 HZ PHE 38 HZ PHE 38 5.964 -3.746 0.963 293 H ASN 39 H ASN 39 -2.276 -3.834 2.264 294 HA ASN 39 HA ASN 39 -3.783 -6.254 1.773 295 1HB ASN 39 1HB ASN 39 -4.090 -4.681 3.778 296 2HB ASN 39 2HB ASN 39 -4.914 -3.604 2.657 297 2HD2 ASN 39 2HD2 ASN 39 -5.628 -5.492 5.019 298 1HD2 ASN 39 1HD2 ASN 39 -7.067 -6.266 4.460 299 H THR 40 H THR 40 -4.385 -6.673 -0.219 300 HA THR 40 HA THR 40 -4.552 -4.729 -2.273 301 HB THR 40 HB THR 40 -4.831 -6.488 -3.716 302 HG1 THR 40 HG1 THR 40 -6.794 -7.312 -3.288 303 1HG2 THR 40 1HG2 THR 40 -3.852 -7.789 -1.184 304 2HG2 THR 40 2HG2 THR 40 -3.805 -8.568 -2.765 305 3HG2 THR 40 3HG2 THR 40 -2.882 -7.092 -2.481 306 H GLN 41 H GLN 41 -6.692 -5.875 0.079 307 HA GLN 41 HA GLN 41 -9.041 -4.854 -1.341 308 1HB GLN 41 1HB GLN 41 -8.537 -6.948 0.683 309 2HB GLN 41 2HB GLN 41 -10.035 -6.066 0.837 310 1HG GLN 41 1HG GLN 41 -10.896 -6.904 -1.114 311 2HG GLN 41 2HG GLN 41 -9.302 -7.157 -1.823 312 2HE2 GLN 41 2HE2 GLN 41 -11.166 -8.266 0.991 313 1HE2 GLN 41 1HE2 GLN 41 -10.748 -9.934 0.824 314 H ALA 42 H ALA 42 -6.788 -3.655 0.641 315 HA ALA 42 HA ALA 42 -8.196 -2.557 2.806 316 1HB ALA 42 1HB ALA 42 -5.565 -2.239 1.605 317 2HB ALA 42 2HB ALA 42 -6.050 -2.237 3.301 318 3HB ALA 42 3HB ALA 42 -6.181 -0.761 2.345 319 H THR 43 H THR 43 -9.571 -0.953 2.981 320 HA THR 43 HA THR 43 -9.709 1.091 0.863 321 HB THR 43 HB THR 43 -12.042 1.073 0.840 322 HG1 THR 43 HG1 THR 43 -12.057 -0.525 3.200 323 1HG2 THR 43 1HG2 THR 43 -11.102 -0.995 -0.159 324 2HG2 THR 43 2HG2 THR 43 -11.373 -1.823 1.374 325 3HG2 THR 43 3HG2 THR 43 -12.743 -1.208 0.449 326 H ASN 44 H ASN 44 -9.793 3.202 1.625 327 HA ASN 44 HA ASN 44 -10.375 3.635 4.455 328 1HB ASN 44 1HB ASN 44 -7.921 3.283 4.279 329 2HB ASN 44 2HB ASN 44 -7.833 4.645 3.166 330 2HD2 ASN 44 2HD2 ASN 44 -9.177 3.874 6.360 331 1HD2 ASN 44 1HD2 ASN 44 -8.692 5.354 7.109 332 H ARG 45 H ARG 45 -12.028 5.010 4.313 333 HA ARG 45 HA ARG 45 -12.359 6.887 2.206 334 1HB ARG 45 1HB ARG 45 -14.202 7.784 3.692 335 2HB ARG 45 2HB ARG 45 -14.332 6.087 3.252 336 1HG ARG 45 1HG ARG 45 -12.857 6.338 5.693 337 2HG ARG 45 2HG ARG 45 -14.386 7.210 5.818 338 1HD ARG 45 1HD ARG 45 -15.613 5.237 5.165 339 2HD ARG 45 2HD ARG 45 -14.112 4.358 4.876 340 HE ARG 45 HE ARG 45 -14.261 5.319 7.550 341 1HH1 ARG 45 1HH1 ARG 45 -15.428 2.819 5.423 342 2HH1 ARG 45 2HH1 ARG 45 -15.685 1.675 6.698 343 1HH2 ARG 45 1HH2 ARG 45 -14.597 3.820 9.235 344 2HH2 ARG 45 2HH2 ARG 45 -15.214 2.245 8.865 345 H ASN 46 H ASN 46 -11.734 8.951 2.027 346 HA ASN 46 HA ASN 46 -9.978 10.042 4.059 347 1HB ASN 46 1HB ASN 46 -10.779 11.434 1.516 348 2HB ASN 46 2HB ASN 46 -9.294 11.611 2.443 349 2HD2 ASN 46 2HD2 ASN 46 -8.567 9.002 2.822 350 1HD2 ASN 46 1HD2 ASN 46 -8.188 8.278 1.301 351 H THR 47 H THR 47 -10.218 12.572 4.249 352 HA THR 47 HA THR 47 -12.882 13.000 5.369 353 HB THR 47 HB THR 47 -11.851 15.005 6.445 354 HG1 THR 47 HG1 THR 47 -10.087 15.595 5.376 355 1HG2 THR 47 1HG2 THR 47 -11.455 12.264 7.037 356 2HG2 THR 47 2HG2 THR 47 -9.960 13.111 7.432 357 3HG2 THR 47 3HG2 THR 47 -11.483 13.627 8.156 358 H ASP 48 H ASP 48 -11.727 13.376 2.431 359 HA ASP 48 HA ASP 48 -12.946 16.029 2.034 360 1HB ASP 48 1HB ASP 48 -11.541 16.379 0.144 361 2HB ASP 48 2HB ASP 48 -10.505 15.803 1.445 362 H GLY 49 H GLY 49 -13.669 12.879 1.798 363 1HA GLY 49 1HA GLY 49 -15.460 13.361 -0.498 364 2HA GLY 49 2HA GLY 49 -15.841 12.320 0.862 365 H SER 50 H SER 50 -12.712 12.286 -0.721 366 HA SER 50 HA SER 50 -13.347 10.100 -2.456 367 1HB SER 50 1HB SER 50 -10.675 10.012 -2.445 368 2HB SER 50 2HB SER 50 -11.573 11.224 -3.358 369 HG SER 50 HG SER 50 -10.385 12.550 -2.225 370 H THR 51 H THR 51 -11.260 8.357 -2.218 371 HA THR 51 HA THR 51 -11.036 7.328 0.455 372 HB THR 51 HB THR 51 -12.493 5.571 -1.516 373 HG1 THR 51 HG1 THR 51 -14.380 6.277 -0.732 374 1HG2 THR 51 1HG2 THR 51 -11.212 5.044 0.901 375 2HG2 THR 51 2HG2 THR 51 -12.929 5.083 1.300 376 3HG2 THR 51 3HG2 THR 51 -12.338 3.989 0.049 377 H ASP 52 H ASP 52 -9.779 5.230 0.453 378 HA ASP 52 HA ASP 52 -8.001 5.103 -1.895 379 1HB ASP 52 1HB ASP 52 -7.363 4.607 1.022 380 2HB ASP 52 2HB ASP 52 -6.244 4.327 -0.309 381 H TYR 53 H TYR 53 -9.097 3.503 -2.969 382 HA TYR 53 HA TYR 53 -9.515 0.979 -1.548 383 1HB TYR 53 1HB TYR 53 -10.460 1.817 -4.294 384 2HB TYR 53 2HB TYR 53 -10.862 0.312 -3.479 385 HD1 TYR 53 HD1 TYR 53 -11.992 0.637 -1.099 386 HD2 TYR 53 HD2 TYR 53 -11.979 3.542 -4.205 387 HE1 TYR 53 HE1 TYR 53 -13.991 1.682 -0.120 388 HE2 TYR 53 HE2 TYR 53 -13.975 4.599 -3.233 389 HH TYR 53 HH TYR 53 -14.956 4.446 -0.421 390 H GLY 54 H GLY 54 -7.114 0.549 -1.569 391 1HA GLY 54 1HA GLY 54 -5.857 0.151 -4.101 392 2HA GLY 54 2HA GLY 54 -6.438 -1.365 -3.435 393 H ILE 55 H ILE 55 -4.141 -1.936 -3.518 394 HA ILE 55 HA ILE 55 -2.920 -1.703 -0.958 395 HB ILE 55 HB ILE 55 -2.531 -3.641 -2.516 396 1HG1 ILE 55 1HG1 ILE 55 -0.033 -2.146 -1.677 397 2HG1 ILE 55 2HG1 ILE 55 -1.010 -3.166 -0.626 398 1HG2 ILE 55 1HG2 ILE 55 -0.870 -1.623 -4.026 399 2HG2 ILE 55 2HG2 ILE 55 -0.881 -3.362 -4.323 400 3HG2 ILE 55 3HG2 ILE 55 -2.340 -2.412 -4.599 401 1HD1 ILE 55 1HD1 ILE 55 -0.341 -4.719 -2.875 402 2HD1 ILE 55 2HD1 ILE 55 1.129 -3.893 -2.356 403 3HD1 ILE 55 3HD1 ILE 55 0.230 -4.894 -1.215 404 H LEU 56 H LEU 56 -2.895 0.081 -3.875 405 HA LEU 56 HA LEU 56 -0.710 1.797 -2.921 406 1HB LEU 56 1HB LEU 56 -1.295 0.724 -5.506 407 2HB LEU 56 2HB LEU 56 -1.488 2.464 -5.584 408 HG LEU 56 HG LEU 56 0.744 2.090 -6.223 409 1HD1 LEU 56 1HD1 LEU 56 0.257 3.683 -4.173 410 2HD1 LEU 56 2HD1 LEU 56 1.298 2.531 -3.339 411 3HD1 LEU 56 3HD1 LEU 56 1.895 3.394 -4.756 412 1HD2 LEU 56 1HD2 LEU 56 0.485 -0.263 -4.727 413 2HD2 LEU 56 2HD2 LEU 56 1.860 0.242 -5.708 414 3HD2 LEU 56 3HD2 LEU 56 1.813 0.632 -3.989 415 H GLN 57 H GLN 57 -3.869 1.534 -2.607 416 HA GLN 57 HA GLN 57 -5.525 2.936 -2.017 417 1HB GLN 57 1HB GLN 57 -3.445 5.102 -2.353 418 2HB GLN 57 2HB GLN 57 -5.025 5.315 -1.608 419 1HG GLN 57 1HG GLN 57 -4.316 3.507 0.033 420 2HG GLN 57 2HG GLN 57 -2.686 3.731 -0.601 421 2HE2 GLN 57 2HE2 GLN 57 -2.180 6.222 -0.799 422 1HE2 GLN 57 1HE2 GLN 57 -2.465 7.111 0.655 423 H ILE 58 H ILE 58 -6.408 2.212 -4.186 424 HA ILE 58 HA ILE 58 -6.179 4.180 -6.294 425 HB ILE 58 HB ILE 58 -8.048 1.821 -6.277 426 1HG1 ILE 58 1HG1 ILE 58 -5.930 0.854 -5.744 427 2HG1 ILE 58 2HG1 ILE 58 -6.177 0.604 -7.468 428 1HG2 ILE 58 1HG2 ILE 58 -8.245 3.594 -8.031 429 2HG2 ILE 58 2HG2 ILE 58 -6.621 3.161 -8.566 430 3HG2 ILE 58 3HG2 ILE 58 -7.923 1.975 -8.652 431 1HD1 ILE 58 1HD1 ILE 58 -4.762 2.665 -7.833 432 2HD1 ILE 58 2HD1 ILE 58 -4.349 2.564 -6.121 433 3HD1 ILE 58 3HD1 ILE 58 -3.931 1.240 -7.209 434 H ASN 59 H ASN 59 -7.165 6.035 -5.598 435 HA ASN 59 HA ASN 59 -9.647 6.089 -4.256 436 1HB ASN 59 1HB ASN 59 -8.075 7.974 -4.165 437 2HB ASN 59 2HB ASN 59 -8.278 8.240 -5.894 438 2HD2 ASN 59 2HD2 ASN 59 -11.023 7.283 -4.048 439 1HD2 ASN 59 1HD2 ASN 59 -11.808 8.821 -4.020 440 H SER 60 H SER 60 -11.273 5.001 -5.267 441 HA SER 60 HA SER 60 -11.707 4.910 -8.030 442 1HB SER 60 1HB SER 60 -13.755 3.839 -7.531 443 2HB SER 60 2HB SER 60 -12.682 3.400 -6.202 444 HG SER 60 HG SER 60 -14.886 4.170 -5.663 445 H ARG 61 H ARG 61 -12.095 7.523 -5.928 446 HA ARG 61 HA ARG 61 -14.322 8.710 -7.363 447 1HB ARG 61 1HB ARG 61 -13.924 8.965 -4.865 448 2HB ARG 61 2HB ARG 61 -12.584 10.026 -5.277 449 1HG ARG 61 1HG ARG 61 -13.997 11.653 -6.180 450 2HG ARG 61 2HG ARG 61 -15.354 10.531 -6.303 451 1HD ARG 61 1HD ARG 61 -15.016 10.404 -3.682 452 2HD ARG 61 2HD ARG 61 -14.300 11.995 -3.939 453 HE ARG 61 HE ARG 61 -17.031 11.340 -4.833 454 1HH1 ARG 61 1HH1 ARG 61 -14.759 13.421 -3.205 455 2HH1 ARG 61 2HH1 ARG 61 -15.923 14.663 -2.893 456 1HH2 ARG 61 1HH2 ARG 61 -18.571 12.972 -4.428 457 2HH2 ARG 61 2HH2 ARG 61 -18.091 14.409 -3.588 458 H TRP 62 H TRP 62 -10.877 9.428 -6.819 459 HA TRP 62 HA TRP 62 -10.915 11.470 -8.878 460 1HB TRP 62 1HB TRP 62 -9.075 10.634 -6.740 461 2HB TRP 62 2HB TRP 62 -8.278 11.153 -8.221 462 HD1 TRP 62 HD1 TRP 62 -10.673 12.485 -5.512 463 HE1 TRP 62 HE1 TRP 62 -10.516 15.054 -5.490 464 HE3 TRP 62 HE3 TRP 62 -7.632 13.147 -9.569 465 HZ2 TRP 62 HZ2 TRP 62 -9.267 17.091 -6.993 466 HZ3 TRP 62 HZ3 TRP 62 -7.005 15.438 -10.210 467 HH2 TRP 62 HH2 TRP 62 -7.806 17.368 -8.948 468 H TRP 63 H TRP 63 -10.526 8.144 -8.747 469 HA TRP 63 HA TRP 63 -9.426 8.119 -11.461 470 1HB TRP 63 1HB TRP 63 -8.470 6.167 -9.354 471 2HB TRP 63 2HB TRP 63 -7.884 6.334 -11.003 472 HD1 TRP 63 HD1 TRP 63 -6.862 7.168 -7.628 473 HE1 TRP 63 HE1 TRP 63 -5.109 9.058 -7.622 474 HE3 TRP 63 HE3 TRP 63 -7.479 8.829 -12.396 475 HZ2 TRP 63 HZ2 TRP 63 -4.122 11.007 -9.429 476 HZ3 TRP 63 HZ3 TRP 63 -6.132 10.702 -13.190 477 HH2 TRP 63 HH2 TRP 63 -4.470 11.776 -11.742 478 H CYS 64 H CYS 64 -9.858 6.134 -12.592 479 HA CYS 64 HA CYS 64 -11.349 4.655 -13.428 480 1HB CYS 64 1HB CYS 64 -11.363 2.664 -12.272 481 2HB CYS 64 2HB CYS 64 -10.035 3.493 -11.474 482 H ASN 65 H ASN 65 -13.464 3.791 -13.530 483 HA ASN 65 HA ASN 65 -15.425 5.535 -12.208 484 1HB ASN 65 1HB ASN 65 -15.403 5.451 -14.704 485 2HB ASN 65 2HB ASN 65 -15.804 3.739 -14.616 486 2HD2 ASN 65 2HD2 ASN 65 -17.862 3.116 -14.111 487 1HD2 ASN 65 1HD2 ASN 65 -19.187 4.220 -14.003 488 H ASP 66 H ASP 66 -16.207 4.673 -10.397 489 HA ASP 66 HA ASP 66 -16.553 1.770 -10.219 490 1HB ASP 66 1HB ASP 66 -16.663 2.046 -7.841 491 2HB ASP 66 2HB ASP 66 -15.306 3.003 -8.427 492 H GLY 67 H GLY 67 -18.367 4.667 -10.582 493 1HA GLY 67 1HA GLY 67 -20.795 3.208 -10.908 494 2HA GLY 67 2HA GLY 67 -20.615 4.953 -10.976 495 H ARG 68 H ARG 68 -19.409 3.516 -8.117 496 HA ARG 68 HA ARG 68 -21.935 3.818 -6.693 497 1HB ARG 68 1HB ARG 68 -19.250 2.896 -5.653 498 2HB ARG 68 2HB ARG 68 -20.788 2.788 -4.809 499 1HG ARG 68 1HG ARG 68 -21.545 1.360 -6.811 500 2HG ARG 68 2HG ARG 68 -19.821 1.218 -7.164 501 1HD ARG 68 1HD ARG 68 -19.531 0.453 -4.770 502 2HD ARG 68 2HD ARG 68 -21.288 0.334 -4.690 503 HE ARG 68 HE ARG 68 -20.242 -1.086 -6.923 504 1HH1 ARG 68 1HH1 ARG 68 -20.690 -1.262 -3.473 505 2HH1 ARG 68 2HH1 ARG 68 -20.715 -2.994 -3.435 506 1HH2 ARG 68 1HH2 ARG 68 -20.274 -3.365 -6.883 507 2HH2 ARG 68 2HH2 ARG 68 -20.478 -4.189 -5.373 508 H THR 69 H THR 69 -19.326 5.724 -7.507 509 HA THR 69 HA THR 69 -19.732 7.463 -5.161 510 HB THR 69 HB THR 69 -17.294 7.452 -6.944 511 HG1 THR 69 HG1 THR 69 -18.006 5.767 -4.922 512 1HG2 THR 69 1HG2 THR 69 -18.196 9.365 -5.193 513 2HG2 THR 69 2HG2 THR 69 -17.083 8.428 -4.197 514 3HG2 THR 69 3HG2 THR 69 -16.521 9.154 -5.703 515 HA PRO 70 HA PRO 70 -21.790 9.858 -8.462 516 1HB PRO 70 1HB PRO 70 -22.236 11.590 -6.083 517 2HB PRO 70 2HB PRO 70 -23.387 11.038 -7.305 518 1HG PRO 70 1HG PRO 70 -23.378 9.968 -4.867 519 2HG PRO 70 2HG PRO 70 -23.659 8.963 -6.302 520 1HD PRO 70 1HD PRO 70 -21.201 9.231 -4.624 521 2HD PRO 70 2HD PRO 70 -21.879 7.792 -5.411 522 H GLY 71 H GLY 71 -19.981 10.576 -9.577 523 1HA GLY 71 1HA GLY 71 -18.549 12.871 -8.396 524 2HA GLY 71 2HA GLY 71 -19.180 12.940 -10.034 525 H SER 72 H SER 72 -18.384 9.908 -10.054 526 HA SER 72 HA SER 72 -15.609 9.704 -9.896 527 1HB SER 72 1HB SER 72 -17.458 8.219 -11.779 528 2HB SER 72 2HB SER 72 -15.833 7.718 -11.311 529 HG SER 72 HG SER 72 -16.556 7.428 -9.214 530 H ARG 73 H ARG 73 -14.143 10.865 -10.938 531 HA ARG 73 HA ARG 73 -14.692 12.343 -13.295 532 1HB ARG 73 1HB ARG 73 -12.132 11.699 -11.839 533 2HB ARG 73 2HB ARG 73 -12.172 12.698 -13.284 534 1HG ARG 73 1HG ARG 73 -13.870 14.135 -12.024 535 2HG ARG 73 2HG ARG 73 -13.337 13.266 -10.583 536 1HD ARG 73 1HD ARG 73 -12.075 15.293 -10.743 537 2HD ARG 73 2HD ARG 73 -11.002 13.945 -11.118 538 HE ARG 73 HE ARG 73 -11.696 14.625 -13.554 539 1HH1 ARG 73 1HH1 ARG 73 -10.945 16.709 -10.865 540 2HH1 ARG 73 2HH1 ARG 73 -10.344 17.992 -11.860 541 1HH2 ARG 73 1HH2 ARG 73 -10.906 16.310 -14.873 542 2HH2 ARG 73 2HH2 ARG 73 -10.322 17.766 -14.139 543 H ASN 74 H ASN 74 -12.987 9.312 -12.675 544 HA ASN 74 HA ASN 74 -12.424 7.565 -14.041 545 1HB ASN 74 1HB ASN 74 -14.760 8.195 -15.048 546 2HB ASN 74 2HB ASN 74 -13.813 8.872 -16.369 547 2HD2 ASN 74 2HD2 ASN 74 -14.133 7.484 -17.977 548 1HD2 ASN 74 1HD2 ASN 74 -13.818 5.787 -17.907 549 H LEU 75 H LEU 75 -10.760 9.790 -13.677 550 HA LEU 75 HA LEU 75 -9.554 10.857 -15.957 551 1HB LEU 75 1HB LEU 75 -8.917 10.358 -13.126 552 2HB LEU 75 2HB LEU 75 -7.542 10.602 -14.175 553 HG LEU 75 HG LEU 75 -9.871 12.512 -13.814 554 1HD1 LEU 75 1HD1 LEU 75 -8.375 12.256 -11.827 555 2HD1 LEU 75 2HD1 LEU 75 -7.044 12.838 -12.827 556 3HD1 LEU 75 3HD1 LEU 75 -8.428 13.884 -12.505 557 1HD2 LEU 75 1HD2 LEU 75 -7.481 12.518 -15.586 558 2HD2 LEU 75 2HD2 LEU 75 -9.119 13.092 -15.893 559 3HD2 LEU 75 3HD2 LEU 75 -8.019 14.053 -14.904 560 H CYS 76 H CYS 76 -8.873 8.146 -13.987 561 HA CYS 76 HA CYS 76 -6.683 7.132 -15.503 562 1HB CYS 76 1HB CYS 76 -7.653 6.921 -12.969 563 2HB CYS 76 2HB CYS 76 -8.090 5.365 -13.659 564 H ASN 77 H ASN 77 -10.101 6.735 -15.375 565 HA ASN 77 HA ASN 77 -11.598 5.341 -16.406 566 1HB ASN 77 1HB ASN 77 -11.202 5.070 -18.872 567 2HB ASN 77 2HB ASN 77 -11.108 6.731 -18.304 568 2HD2 ASN 77 2HD2 ASN 77 -9.399 4.072 -19.676 569 1HD2 ASN 77 1HD2 ASN 77 -7.926 4.913 -20.003 570 H ILE 78 H ILE 78 -10.427 3.843 -14.778 571 HA ILE 78 HA ILE 78 -9.565 1.464 -16.257 572 HB ILE 78 HB ILE 78 -7.814 1.055 -14.910 573 1HG1 ILE 78 1HG1 ILE 78 -9.709 1.821 -12.788 574 2HG1 ILE 78 2HG1 ILE 78 -8.528 0.519 -12.823 575 1HG2 ILE 78 1HG2 ILE 78 -7.465 3.316 -15.734 576 2HG2 ILE 78 2HG2 ILE 78 -8.231 3.967 -14.285 577 3HG2 ILE 78 3HG2 ILE 78 -6.708 3.088 -14.157 578 1HD1 ILE 78 1HD1 ILE 78 -6.770 2.243 -12.350 579 2HD1 ILE 78 2HD1 ILE 78 -8.078 3.394 -12.083 580 3HD1 ILE 78 3HD1 ILE 78 -7.935 1.969 -11.054 581 HA PRO 79 HA PRO 79 -12.731 -0.672 -13.997 582 1HB PRO 79 1HB PRO 79 -11.790 -3.196 -13.939 583 2HB PRO 79 2HB PRO 79 -12.319 -2.443 -15.448 584 1HG PRO 79 1HG PRO 79 -9.552 -2.866 -14.409 585 2HG PRO 79 2HG PRO 79 -10.163 -3.010 -16.067 586 1HD PRO 79 1HD PRO 79 -8.796 -0.823 -15.080 587 2HD PRO 79 2HD PRO 79 -9.886 -0.784 -16.480 588 H CYS 80 H CYS 80 -12.846 -0.023 -11.895 589 HA CYS 80 HA CYS 80 -10.751 -0.105 -10.055 590 1HB CYS 80 1HB CYS 80 -13.597 -0.209 -9.138 591 2HB CYS 80 2HB CYS 80 -12.256 0.751 -8.519 592 H SER 81 H SER 81 -13.654 -2.211 -10.080 593 HA SER 81 HA SER 81 -12.843 -3.927 -8.061 594 1HB SER 81 1HB SER 81 -14.518 -5.449 -8.842 595 2HB SER 81 2HB SER 81 -15.118 -3.818 -9.144 596 HG SER 81 HG SER 81 -15.436 -4.722 -11.056 597 H ALA 82 H ALA 82 -11.737 -3.792 -11.358 598 HA ALA 82 HA ALA 82 -10.727 -6.449 -11.513 599 1HB ALA 82 1HB ALA 82 -11.137 -5.266 -13.543 600 2HB ALA 82 2HB ALA 82 -9.403 -5.566 -13.437 601 3HB ALA 82 3HB ALA 82 -10.045 -3.965 -13.071 602 H LEU 83 H LEU 83 -9.760 -3.839 -9.699 603 HA LEU 83 HA LEU 83 -6.943 -4.669 -9.626 604 1HB LEU 83 1HB LEU 83 -6.373 -2.578 -8.911 605 2HB LEU 83 2HB LEU 83 -7.812 -2.189 -9.831 606 HG LEU 83 HG LEU 83 -8.890 -2.593 -7.371 607 1HD1 LEU 83 1HD1 LEU 83 -6.062 -2.246 -6.965 608 2HD1 LEU 83 2HD1 LEU 83 -6.968 -0.924 -6.231 609 3HD1 LEU 83 3HD1 LEU 83 -7.331 -2.592 -5.791 610 1HD2 LEU 83 1HD2 LEU 83 -8.084 -0.297 -8.997 611 2HD2 LEU 83 2HD2 LEU 83 -9.622 -0.647 -8.208 612 3HD2 LEU 83 3HD2 LEU 83 -8.300 0.066 -7.285 613 H LEU 84 H LEU 84 -9.840 -5.154 -8.049 614 HA LEU 84 HA LEU 84 -8.522 -5.771 -5.497 615 1HB LEU 84 1HB LEU 84 -11.484 -5.673 -5.796 616 2HB LEU 84 2HB LEU 84 -10.490 -5.276 -4.407 617 HG LEU 84 HG LEU 84 -10.304 -3.552 -6.828 618 1HD1 LEU 84 1HD1 LEU 84 -12.749 -3.965 -6.263 619 2HD1 LEU 84 2HD1 LEU 84 -12.430 -3.105 -4.757 620 3HD1 LEU 84 3HD1 LEU 84 -12.206 -2.287 -6.304 621 1HD2 LEU 84 1HD2 LEU 84 -8.788 -3.209 -4.942 622 2HD2 LEU 84 2HD2 LEU 84 -9.867 -1.831 -5.163 623 3HD2 LEU 84 3HD2 LEU 84 -10.170 -2.990 -3.869 624 H SER 85 H SER 85 -8.220 -7.531 -7.639 625 HA SER 85 HA SER 85 -9.757 -9.832 -6.661 626 1HB SER 85 1HB SER 85 -8.931 -10.312 -9.362 627 2HB SER 85 2HB SER 85 -10.570 -10.256 -8.712 628 HG SER 85 HG SER 85 -10.721 -8.147 -9.231 629 H SER 86 H SER 86 -7.324 -8.900 -5.780 630 HA SER 86 HA SER 86 -5.331 -9.714 -5.024 631 1HB SER 86 1HB SER 86 -5.011 -11.986 -4.935 632 2HB SER 86 2HB SER 86 -6.711 -12.000 -5.399 633 HG SER 86 HG SER 86 -5.296 -13.355 -6.694 634 H ASP 87 H ASP 87 -5.983 -8.417 -7.601 635 HA ASP 87 HA ASP 87 -3.491 -8.964 -9.061 636 1HB ASP 87 1HB ASP 87 -5.714 -9.589 -10.110 637 2HB ASP 87 2HB ASP 87 -6.066 -7.869 -10.166 638 H ILE 88 H ILE 88 -2.075 -7.304 -8.851 639 HA ILE 88 HA ILE 88 -3.041 -4.681 -8.088 640 HB ILE 88 HB ILE 88 -0.433 -4.231 -8.398 641 1HG1 ILE 88 1HG1 ILE 88 -0.353 -7.098 -7.521 642 2HG1 ILE 88 2HG1 ILE 88 -0.289 -6.704 -9.236 643 1HG2 ILE 88 1HG2 ILE 88 -2.041 -5.319 -6.170 644 2HG2 ILE 88 2HG2 ILE 88 -0.291 -5.288 -5.961 645 3HG2 ILE 88 3HG2 ILE 88 -1.164 -3.795 -6.303 646 1HD1 ILE 88 1HD1 ILE 88 1.570 -5.050 -7.872 647 2HD1 ILE 88 2HD1 ILE 88 1.812 -6.718 -7.354 648 3HD1 ILE 88 3HD1 ILE 88 1.876 -6.309 -9.069 649 H THR 89 H THR 89 -2.594 -6.292 -10.970 650 HA THR 89 HA THR 89 -1.298 -4.611 -12.682 651 HB THR 89 HB THR 89 -3.919 -5.900 -13.430 652 HG1 THR 89 HG1 THR 89 -1.384 -7.060 -12.925 653 1HG2 THR 89 1HG2 THR 89 -2.214 -4.402 -14.927 654 2HG2 THR 89 2HG2 THR 89 -1.581 -6.025 -15.208 655 3HG2 THR 89 3HG2 THR 89 -3.266 -5.660 -15.575 656 H ALA 90 H ALA 90 -4.807 -4.438 -11.992 657 HA ALA 90 HA ALA 90 -5.247 -2.121 -13.439 658 1HB ALA 90 1HB ALA 90 -6.756 -3.722 -11.507 659 2HB ALA 90 2HB ALA 90 -7.249 -2.033 -11.639 660 3HB ALA 90 3HB ALA 90 -7.244 -3.065 -13.069 661 H SER 91 H SER 91 -4.618 -2.562 -9.968 662 HA SER 91 HA SER 91 -4.896 0.139 -9.225 663 1HB SER 91 1HB SER 91 -2.938 -1.081 -7.562 664 2HB SER 91 2HB SER 91 -4.640 -0.791 -7.204 665 HG SER 91 HG SER 91 -4.976 -2.816 -8.469 666 H VAL 92 H VAL 92 -2.194 -1.676 -10.468 667 HA VAL 92 HA VAL 92 -0.322 0.430 -10.003 668 HB VAL 92 HB VAL 92 -0.078 -2.021 -11.743 669 1HG1 VAL 92 1HG1 VAL 92 1.681 0.362 -11.448 670 2HG1 VAL 92 2HG1 VAL 92 2.455 -1.219 -11.544 671 3HG1 VAL 92 3HG1 VAL 92 1.406 -0.670 -12.850 672 1HG2 VAL 92 1HG2 VAL 92 0.408 -1.436 -8.946 673 2HG2 VAL 92 2HG2 VAL 92 0.376 -2.989 -9.782 674 3HG2 VAL 92 3HG2 VAL 92 1.859 -2.035 -9.750 675 H ASN 93 H ASN 93 -1.949 -0.796 -12.931 676 HA ASN 93 HA ASN 93 -0.912 0.813 -14.792 677 1HB ASN 93 1HB ASN 93 -2.458 -0.219 -15.982 678 2HB ASN 93 2HB ASN 93 -3.229 -0.727 -14.502 679 2HD2 ASN 93 2HD2 ASN 93 -3.189 1.659 -17.026 680 1HD2 ASN 93 1HD2 ASN 93 -4.754 2.317 -16.708 681 H CYS 94 H CYS 94 -3.385 1.615 -12.454 682 HA CYS 94 HA CYS 94 -3.908 4.223 -13.386 683 1HB CYS 94 1HB CYS 94 -5.157 2.700 -11.613 684 2HB CYS 94 2HB CYS 94 -4.148 3.597 -10.480 685 H ALA 95 H ALA 95 -1.753 3.012 -10.808 686 HA ALA 95 HA ALA 95 -0.765 5.607 -10.173 687 1HB ALA 95 1HB ALA 95 -0.221 4.391 -8.413 688 2HB ALA 95 2HB ALA 95 1.220 3.967 -9.336 689 3HB ALA 95 3HB ALA 95 -0.177 2.889 -9.336 690 H LYS 96 H LYS 96 0.302 3.082 -12.383 691 HA LYS 96 HA LYS 96 2.811 3.986 -13.061 692 1HB LYS 96 1HB LYS 96 1.381 1.961 -13.962 693 2HB LYS 96 2HB LYS 96 0.922 3.102 -15.219 694 1HG LYS 96 1HG LYS 96 3.419 3.460 -15.574 695 2HG LYS 96 2HG LYS 96 3.645 2.016 -14.588 696 1HD LYS 96 1HD LYS 96 3.306 0.772 -16.398 697 2HD LYS 96 2HD LYS 96 1.655 1.393 -16.480 698 1HE LYS 96 1HE LYS 96 2.571 3.363 -17.742 699 2HE LYS 96 2HE LYS 96 4.113 2.510 -17.816 700 1HZ LYS 96 1HZ LYS 96 2.228 0.702 -18.679 701 2HZ LYS 96 2HZ LYS 96 1.793 2.161 -19.417 702 3HZ LYS 96 3HZ LYS 96 3.348 1.533 -19.637 703 H LYS 97 H LYS 97 -0.364 5.009 -13.885 704 HA LYS 97 HA LYS 97 0.433 7.120 -15.704 705 1HB LYS 97 1HB LYS 97 -1.896 5.706 -15.374 706 2HB LYS 97 2HB LYS 97 -2.287 7.230 -14.588 707 1HG LYS 97 1HG LYS 97 -2.212 8.413 -16.528 708 2HG LYS 97 2HG LYS 97 -1.007 7.350 -17.260 709 1HD LYS 97 1HD LYS 97 -2.681 6.445 -18.424 710 2HD LYS 97 2HD LYS 97 -3.226 5.722 -16.909 711 1HE LYS 97 1HE LYS 97 -5.104 6.894 -17.083 712 2HE LYS 97 2HE LYS 97 -4.157 8.369 -16.886 713 1HZ LYS 97 1HZ LYS 97 -3.861 7.583 -19.526 714 2HZ LYS 97 2HZ LYS 97 -5.510 7.428 -19.179 715 3HZ LYS 97 3HZ LYS 97 -4.732 8.911 -18.940 716 H ILE 98 H ILE 98 -0.424 6.722 -12.335 717 HA ILE 98 HA ILE 98 -0.834 9.407 -11.665 718 HB ILE 98 HB ILE 98 0.128 7.123 -9.971 719 1HG1 ILE 98 1HG1 ILE 98 -2.536 8.563 -10.063 720 2HG1 ILE 98 2HG1 ILE 98 -2.205 7.043 -10.887 721 1HG2 ILE 98 1HG2 ILE 98 -0.481 9.970 -9.223 722 2HG2 ILE 98 2HG2 ILE 98 -0.547 8.650 -8.055 723 3HG2 ILE 98 3HG2 ILE 98 0.969 9.030 -8.871 724 1HD1 ILE 98 1HD1 ILE 98 -1.775 5.976 -8.731 725 2HD1 ILE 98 2HD1 ILE 98 -2.121 7.500 -7.913 726 3HD1 ILE 98 3HD1 ILE 98 -3.395 6.672 -8.809 727 H VAL 99 H VAL 99 2.058 7.409 -11.501 728 HA VAL 99 HA VAL 99 3.776 9.552 -10.698 729 HB VAL 99 HB VAL 99 4.163 7.141 -10.137 730 1HG1 VAL 99 1HG1 VAL 99 3.972 6.816 -12.914 731 2HG1 VAL 99 2HG1 VAL 99 5.653 6.482 -12.498 732 3HG1 VAL 99 3HG1 VAL 99 4.355 5.587 -11.708 733 1HG2 VAL 99 1HG2 VAL 99 5.912 9.110 -10.299 734 2HG2 VAL 99 2HG2 VAL 99 6.416 7.463 -9.925 735 3HG2 VAL 99 3HG2 VAL 99 6.594 8.088 -11.564 736 H SER 100 H SER 100 2.678 8.317 -13.755 737 HA SER 100 HA SER 100 4.868 9.580 -15.208 738 1HB SER 100 1HB SER 100 3.719 7.323 -15.813 739 2HB SER 100 2HB SER 100 2.463 8.344 -16.516 740 HG SER 100 HG SER 100 3.904 9.138 -17.960 741 H ASP 101 H ASP 101 2.004 10.563 -13.879 742 HA ASP 101 HA ASP 101 1.817 12.813 -15.773 743 1HB ASP 101 1HB ASP 101 -0.125 10.891 -15.536 744 2HB ASP 101 2HB ASP 101 -0.701 12.133 -14.430 745 H GLY 102 H GLY 102 2.147 11.774 -12.573 746 1HA GLY 102 1HA GLY 102 1.117 13.190 -10.717 747 2HA GLY 102 2HA GLY 102 1.745 14.543 -11.641 748 H ASN 103 H ASN 103 2.295 12.854 -8.969 749 HA ASN 103 HA ASN 103 5.193 13.329 -9.101 750 1HB ASN 103 1HB ASN 103 3.145 13.739 -7.027 751 2HB ASN 103 2HB ASN 103 4.644 13.024 -6.440 752 2HD2 ASN 103 2HD2 ASN 103 3.068 15.860 -7.164 753 1HD2 ASN 103 1HD2 ASN 103 4.429 16.925 -7.191 754 H GLY 104 H GLY 104 6.618 11.856 -8.021 755 1HA GLY 104 1HA GLY 104 7.465 9.753 -7.700 756 2HA GLY 104 2HA GLY 104 6.103 9.156 -8.633 757 H MET 105 H MET 105 7.575 9.133 -5.658 758 HA MET 105 HA MET 105 5.378 7.669 -4.478 759 1HB MET 105 1HB MET 105 7.867 8.264 -2.957 760 2HB MET 105 2HB MET 105 6.929 6.780 -3.032 761 1HG MET 105 1HG MET 105 8.842 7.824 -5.103 762 2HG MET 105 2HG MET 105 9.060 6.421 -4.058 763 1HE MET 105 1HE MET 105 6.896 4.898 -3.830 764 2HE MET 105 2HE MET 105 5.508 5.487 -4.745 765 3HE MET 105 3HE MET 105 6.338 4.015 -5.252 766 H ASN 106 H ASN 106 6.109 10.833 -4.728 767 HA ASN 106 HA ASN 106 5.744 11.707 -2.039 768 1HB ASN 106 1HB ASN 106 5.234 13.512 -4.356 769 2HB ASN 106 2HB ASN 106 6.115 13.812 -2.865 770 2HD2 ASN 106 2HD2 ASN 106 8.189 12.639 -2.628 771 1HD2 ASN 106 1HD2 ASN 106 9.171 12.459 -4.038 772 H ALA 107 H ALA 107 3.652 11.196 -4.821 773 HA ALA 107 HA ALA 107 1.408 12.625 -4.097 774 1HB ALA 107 1HB ALA 107 1.801 11.289 -6.212 775 2HB ALA 107 2HB ALA 107 0.169 11.233 -5.545 776 3HB ALA 107 3HB ALA 107 1.267 9.874 -5.303 777 H TRP 108 H TRP 108 2.241 9.299 -3.168 778 HA TRP 108 HA TRP 108 -0.036 9.080 -1.429 779 1HB TRP 108 1HB TRP 108 2.358 7.262 -1.773 780 2HB TRP 108 2HB TRP 108 0.899 6.868 -0.864 781 HD1 TRP 108 HD1 TRP 108 -1.374 6.494 -2.305 782 HE1 TRP 108 HE1 TRP 108 -1.724 5.785 -4.755 783 HE3 TRP 108 HE3 TRP 108 3.324 7.414 -4.095 784 HZ2 TRP 108 HZ2 TRP 108 -0.207 5.638 -7.143 785 HZ3 TRP 108 HZ3 TRP 108 3.791 6.968 -6.465 786 HH2 TRP 108 HH2 TRP 108 2.064 6.095 -7.954 787 H VAL 109 H VAL 109 -0.162 9.437 0.669 788 HA VAL 109 HA VAL 109 1.883 10.920 1.985 789 HB VAL 109 HB VAL 109 -0.257 9.929 3.629 790 1HG1 VAL 109 1HG1 VAL 109 0.997 12.569 3.020 791 2HG1 VAL 109 2HG1 VAL 109 -0.484 12.463 3.973 792 3HG1 VAL 109 3HG1 VAL 109 0.987 11.671 4.538 793 1HG2 VAL 109 1HG2 VAL 109 -0.873 11.557 1.182 794 2HG2 VAL 109 2HG2 VAL 109 -1.545 9.987 1.620 795 3HG2 VAL 109 3HG2 VAL 109 -1.960 11.417 2.564 796 H ALA 110 H ALA 110 1.023 7.560 2.028 797 HA ALA 110 HA ALA 110 2.079 6.980 4.605 798 1HB ALA 110 1HB ALA 110 1.627 5.180 2.227 799 2HB ALA 110 2HB ALA 110 2.041 4.627 3.849 800 3HB ALA 110 3HB ALA 110 0.513 5.460 3.565 801 H TRP 111 H TRP 111 3.459 7.486 1.514 802 HA TRP 111 HA TRP 111 5.990 6.255 2.248 803 1HB TRP 111 1HB TRP 111 5.275 6.045 -0.076 804 2HB TRP 111 2HB TRP 111 5.221 7.791 -0.244 805 HD1 TRP 111 HD1 TRP 111 7.576 4.859 -0.396 806 HE1 TRP 111 HE1 TRP 111 9.925 5.671 -1.064 807 HE3 TRP 111 HE3 TRP 111 6.850 9.904 0.033 808 HZ2 TRP 111 HZ2 TRP 111 11.290 8.120 -1.368 809 HZ3 TRP 111 HZ3 TRP 111 8.729 11.411 -0.465 810 HH2 TRP 111 HH2 TRP 111 10.903 10.537 -1.151 811 H ARG 112 H ARG 112 4.549 9.468 1.953 812 HA ARG 112 HA ARG 112 7.073 10.735 2.677 813 1HB ARG 112 1HB ARG 112 4.548 11.563 1.456 814 2HB ARG 112 2HB ARG 112 5.176 12.703 2.637 815 1HG ARG 112 1HG ARG 112 7.394 12.485 1.349 816 2HG ARG 112 2HG ARG 112 6.401 11.794 0.063 817 1HD ARG 112 1HD ARG 112 5.982 13.875 -0.603 818 2HD ARG 112 2HD ARG 112 5.027 14.074 0.866 819 HE ARG 112 HE ARG 112 7.712 15.078 0.374 820 1HH1 ARG 112 1HH1 ARG 112 5.130 14.538 2.651 821 2HH1 ARG 112 2HH1 ARG 112 5.722 15.698 3.793 822 1HH2 ARG 112 1HH2 ARG 112 8.497 16.607 1.872 823 2HH2 ARG 112 2HH2 ARG 112 7.635 16.875 3.350 824 H ASN 113 H ASN 113 6.168 9.078 4.645 825 HA ASN 113 HA ASN 113 5.751 10.955 6.805 826 1HB ASN 113 1HB ASN 113 3.571 9.311 5.789 827 2HB ASN 113 2HB ASN 113 3.880 9.026 7.499 828 2HD2 ASN 113 2HD2 ASN 113 2.828 11.298 5.113 829 1HD2 ASN 113 1HD2 ASN 113 2.233 12.492 6.209 830 H ARG 114 H ARG 114 5.435 7.457 6.251 831 HA ARG 114 HA ARG 114 7.203 6.995 8.541 832 1HB ARG 114 1HB ARG 114 5.023 5.470 7.230 833 2HB ARG 114 2HB ARG 114 6.333 4.542 7.937 834 1HG ARG 114 1HG ARG 114 4.974 4.649 9.745 835 2HG ARG 114 2HG ARG 114 5.851 6.161 9.990 836 1HD ARG 114 1HD ARG 114 4.046 7.353 8.790 837 2HD ARG 114 2HD ARG 114 3.159 5.833 8.669 838 HE ARG 114 HE ARG 114 2.938 5.856 11.072 839 1HH1 ARG 114 1HH1 ARG 114 4.073 8.810 9.613 840 2HH1 ARG 114 2HH1 ARG 114 3.606 9.803 10.953 841 1HH2 ARG 114 1HH2 ARG 114 2.319 7.155 12.840 842 2HH2 ARG 114 2HH2 ARG 114 2.609 8.862 12.787 843 H CYS 115 H CYS 115 7.448 7.267 5.268 844 HA CYS 115 HA CYS 115 9.583 5.247 5.116 845 1HB CYS 115 1HB CYS 115 7.657 4.999 3.528 846 2HB CYS 115 2HB CYS 115 8.146 6.522 2.792 847 H LYS 116 H LYS 116 8.751 8.560 4.108 848 HA LYS 116 HA LYS 116 11.167 9.252 2.945 849 1HB LYS 116 1HB LYS 116 9.013 10.586 2.984 850 2HB LYS 116 2HB LYS 116 9.476 11.131 4.590 851 1HG LYS 116 1HG LYS 116 11.047 12.541 3.807 852 2HG LYS 116 2HG LYS 116 11.509 11.466 2.485 853 1HD LYS 116 1HD LYS 116 9.403 12.086 1.320 854 2HD LYS 116 2HD LYS 116 9.080 13.252 2.606 855 1HE LYS 116 1HE LYS 116 10.169 14.698 1.282 856 2HE LYS 116 2HE LYS 116 11.624 13.911 1.895 857 1HZ LYS 116 1HZ LYS 116 10.648 12.396 -0.242 858 2HZ LYS 116 2HZ LYS 116 10.686 14.013 -0.740 859 3HZ LYS 116 3HZ LYS 116 12.092 13.274 -0.156 860 H GLY 117 H GLY 117 12.977 8.538 4.020 861 1HA GLY 117 1HA GLY 117 13.414 9.657 6.716 862 2HA GLY 117 2HA GLY 117 14.635 9.800 5.462 863 H THR 118 H THR 118 13.428 6.879 4.796 864 HA THR 118 HA THR 118 15.204 5.522 6.715 865 HB THR 118 HB THR 118 13.810 3.492 6.362 866 HG1 THR 118 HG1 THR 118 12.555 3.609 4.656 867 1HG2 THR 118 1HG2 THR 118 12.977 5.939 7.718 868 2HG2 THR 118 2HG2 THR 118 11.633 4.855 7.356 869 3HG2 THR 118 3HG2 THR 118 13.003 4.275 8.303 870 H ASP 119 H ASP 119 14.816 2.999 5.169 871 HA ASP 119 HA ASP 119 16.311 3.630 2.738 872 1HB ASP 119 1HB ASP 119 17.672 2.845 4.814 873 2HB ASP 119 2HB ASP 119 17.113 1.278 4.272 874 H VAL 120 H VAL 120 14.963 3.005 1.179 875 HA VAL 120 HA VAL 120 13.199 0.772 1.442 876 HB VAL 120 HB VAL 120 12.599 1.225 -0.903 877 1HG1 VAL 120 1HG1 VAL 120 12.177 2.869 1.311 878 2HG1 VAL 120 2HG1 VAL 120 12.533 3.968 -0.021 879 3HG1 VAL 120 3HG1 VAL 120 11.218 2.803 -0.167 880 1HG2 VAL 120 1HG2 VAL 120 15.140 2.606 -0.870 881 2HG2 VAL 120 2HG2 VAL 120 14.156 2.090 -2.240 882 3HG2 VAL 120 3HG2 VAL 120 13.846 3.645 -1.468 883 H GLN 121 H GLN 121 16.340 1.371 0.034 884 HA GLN 121 HA GLN 121 16.542 -0.870 -1.635 885 1HB GLN 121 1HB GLN 121 18.194 1.215 -0.976 886 2HB GLN 121 2HB GLN 121 19.003 -0.136 -0.196 887 1HG GLN 121 1HG GLN 121 19.972 0.013 -2.314 888 2HG GLN 121 2HG GLN 121 18.837 -1.332 -2.426 889 2HE2 GLN 121 2HE2 GLN 121 17.823 -1.361 -4.286 890 1HE2 GLN 121 1HE2 GLN 121 17.294 0.014 -5.189 891 H ALA 122 H ALA 122 16.611 -0.501 1.778 892 HA ALA 122 HA ALA 122 17.711 -3.153 2.251 893 1HB ALA 122 1HB ALA 122 18.313 -1.198 3.694 894 2HB ALA 122 2HB ALA 122 17.682 -2.590 4.575 895 3HB ALA 122 3HB ALA 122 16.649 -1.192 4.279 896 H TRP 123 H TRP 123 14.672 -1.580 1.893 897 HA TRP 123 HA TRP 123 13.054 -3.284 3.462 898 1HB TRP 123 1HB TRP 123 12.585 -1.386 1.221 899 2HB TRP 123 2HB TRP 123 11.322 -2.566 1.553 900 HD1 TRP 123 HD1 TRP 123 11.615 0.794 2.170 901 HE1 TRP 123 HE1 TRP 123 10.728 1.552 4.464 902 HE3 TRP 123 HE3 TRP 123 11.571 -3.693 4.588 903 HZ2 TRP 123 HZ2 TRP 123 10.105 0.367 6.938 904 HZ3 TRP 123 HZ3 TRP 123 10.818 -3.804 6.908 905 HH2 TRP 123 HH2 TRP 123 10.093 -1.791 8.072 906 H ILE 124 H ILE 124 14.732 -3.823 0.549 907 HA ILE 124 HA ILE 124 13.264 -6.348 0.154 908 HB ILE 124 HB ILE 124 13.960 -6.176 -2.272 909 1HG1 ILE 124 1HG1 ILE 124 14.019 -3.229 -2.052 910 2HG1 ILE 124 2HG1 ILE 124 15.454 -4.057 -1.454 911 1HG2 ILE 124 1HG2 ILE 124 11.919 -4.392 -1.001 912 2HG2 ILE 124 2HG2 ILE 124 12.111 -4.446 -2.753 913 3HG2 ILE 124 3HG2 ILE 124 11.687 -5.911 -1.867 914 1HD1 ILE 124 1HD1 ILE 124 15.223 -5.317 -3.774 915 2HD1 ILE 124 2HD1 ILE 124 14.408 -3.814 -4.209 916 3HD1 ILE 124 3HD1 ILE 124 16.068 -3.777 -3.613 917 H ARG 125 H ARG 125 15.901 -5.290 1.454 918 HA ARG 125 HA ARG 125 18.041 -6.534 0.091 919 1HB ARG 125 1HB ARG 125 18.039 -4.785 2.035 920 2HB ARG 125 2HB ARG 125 18.026 -6.205 3.071 921 1HG ARG 125 1HG ARG 125 20.156 -6.774 2.555 922 2HG ARG 125 2HG ARG 125 20.042 -6.149 0.909 923 1HD ARG 125 1HD ARG 125 20.052 -3.839 1.891 924 2HD ARG 125 2HD ARG 125 20.414 -4.576 3.451 925 HE ARG 125 HE ARG 125 22.396 -5.568 2.058 926 1HH1 ARG 125 1HH1 ARG 125 21.070 -2.349 1.898 927 2HH1 ARG 125 2HH1 ARG 125 22.566 -1.617 1.426 928 1HH2 ARG 125 1HH2 ARG 125 24.371 -4.613 1.438 929 2HH2 ARG 125 2HH2 ARG 125 24.442 -2.904 1.164 930 H GLY 126 H GLY 126 17.512 -8.630 -0.488 931 1HA GLY 126 1HA GLY 126 17.201 -10.521 1.763 932 2HA GLY 126 2HA GLY 126 18.233 -10.854 0.382 933 H CYS 127 H CYS 127 15.565 -9.245 -0.736 934 HA CYS 127 HA CYS 127 13.603 -11.246 -0.767 935 1HB CYS 127 1HB CYS 127 14.048 -8.713 -2.127 936 2HB CYS 127 2HB CYS 127 12.920 -9.806 -2.900 937 H ARG 128 H ARG 128 12.767 -11.544 -3.354 938 HA ARG 128 HA ARG 128 15.002 -12.879 -4.719 939 1HB ARG 128 1HB ARG 128 13.459 -14.444 -3.383 940 2HB ARG 128 2HB ARG 128 12.246 -14.085 -4.604 941 1HG ARG 128 1HG ARG 128 13.103 -15.633 -5.926 942 2HG ARG 128 2HG ARG 128 14.653 -14.790 -5.933 943 1HD ARG 128 1HD ARG 128 15.406 -15.993 -4.022 944 2HD ARG 128 2HD ARG 128 13.800 -16.660 -3.733 945 HE ARG 128 HE ARG 128 14.833 -17.388 -6.295 946 1HH1 ARG 128 1HH1 ARG 128 14.939 -18.156 -2.897 947 2HH1 ARG 128 2HH1 ARG 128 15.387 -19.809 -3.153 948 1HH2 ARG 128 1HH2 ARG 128 15.421 -19.564 -6.641 949 2HH2 ARG 128 2HH2 ARG 128 15.662 -20.609 -5.281 950 H LEU 129 H LEU 129 14.930 -10.872 -5.973 951 HA LEU 129 HA LEU 129 12.674 -10.736 -7.850 952 1HB LEU 129 1HB LEU 129 14.800 -8.715 -7.147 953 2HB LEU 129 2HB LEU 129 13.618 -8.486 -8.421 954 HG LEU 129 HG LEU 129 12.481 -9.145 -5.785 955 1HD1 LEU 129 1HD1 LEU 129 14.535 -7.551 -5.472 956 2HD1 LEU 129 2HD1 LEU 129 13.429 -6.341 -6.122 957 3HD1 LEU 129 3HD1 LEU 129 13.008 -7.222 -4.652 958 1HD2 LEU 129 1HD2 LEU 129 11.871 -7.493 -8.162 959 2HD2 LEU 129 2HD2 LEU 129 10.825 -8.547 -7.211 960 3HD2 LEU 129 3HD2 LEU 129 11.230 -6.937 -6.615 No H/Q in entry = 960 Start of MODEL 25 1 H1 LYS 1 H1 LYS 1 -6.824 -9.468 2.354 2 H2 LYS 1 H2 LYS 1 -7.875 -10.723 1.930 3 H3 LYS 1 H3 LYS 1 -6.644 -10.997 3.056 4 HA LYS 1 HA LYS 1 -5.520 -11.832 1.338 5 1HB LYS 1 1HB LYS 1 -7.830 -10.827 0.017 6 2HB LYS 1 2HB LYS 1 -6.429 -10.361 -0.940 7 1HG LYS 1 1HG LYS 1 -6.377 -12.394 -1.803 8 2HG LYS 1 2HG LYS 1 -6.043 -13.048 -0.198 9 1HD LYS 1 1HD LYS 1 -7.958 -14.197 -0.706 10 2HD LYS 1 2HD LYS 1 -8.652 -12.776 0.078 11 1HE LYS 1 1HE LYS 1 -9.055 -11.749 -2.084 12 2HE LYS 1 2HE LYS 1 -8.289 -13.114 -2.897 13 1HZ LYS 1 1HZ LYS 1 -10.291 -14.118 -1.230 14 2HZ LYS 1 2HZ LYS 1 -10.964 -12.839 -2.106 15 3HZ LYS 1 3HZ LYS 1 -10.239 -14.131 -2.921 16 H VAL 2 H VAL 2 -3.851 -10.582 2.423 17 HA VAL 2 HA VAL 2 -3.057 -8.110 1.054 18 HB VAL 2 HB VAL 2 -2.174 -9.322 3.677 19 1HG1 VAL 2 1HG1 VAL 2 -0.522 -7.873 2.074 20 2HG1 VAL 2 2HG1 VAL 2 -1.279 -6.603 3.034 21 3HG1 VAL 2 3HG1 VAL 2 -0.422 -7.919 3.835 22 1HG2 VAL 2 1HG2 VAL 2 -4.333 -7.697 3.050 23 2HG2 VAL 2 2HG2 VAL 2 -3.662 -7.987 4.655 24 3HG2 VAL 2 3HG2 VAL 2 -3.129 -6.593 3.716 25 H PHE 3 H PHE 3 -1.080 -7.910 -0.005 26 HA PHE 3 HA PHE 3 0.180 -10.349 -0.863 27 1HB PHE 3 1HB PHE 3 0.834 -7.437 -1.368 28 2HB PHE 3 2HB PHE 3 1.738 -8.773 -2.063 29 HD1 PHE 3 HD1 PHE 3 -0.275 -10.624 -2.961 30 HD2 PHE 3 HD2 PHE 3 -0.291 -6.373 -3.013 31 HE1 PHE 3 HE1 PHE 3 -1.805 -10.653 -4.886 32 HE2 PHE 3 HE2 PHE 3 -1.821 -6.392 -4.928 33 HZ PHE 3 HZ PHE 3 -2.581 -8.533 -5.874 34 H GLY 4 H GLY 4 2.644 -10.400 -0.843 35 1HA GLY 4 1HA GLY 4 4.332 -10.975 0.699 36 2HA GLY 4 2HA GLY 4 3.526 -9.985 1.911 37 H ARG 5 H ARG 5 6.331 -9.919 1.257 38 HA ARG 5 HA ARG 5 6.522 -7.084 0.611 39 1HB ARG 5 1HB ARG 5 8.283 -9.067 1.972 40 2HB ARG 5 2HB ARG 5 9.046 -7.685 1.199 41 1HG ARG 5 1HG ARG 5 7.600 -6.188 2.533 42 2HG ARG 5 2HG ARG 5 6.957 -7.606 3.363 43 1HD ARG 5 1HD ARG 5 9.907 -7.141 3.263 44 2HD ARG 5 2HD ARG 5 8.917 -6.256 4.422 45 HE ARG 5 HE ARG 5 8.422 -8.281 5.512 46 1HH1 ARG 5 1HH1 ARG 5 10.572 -8.709 2.802 47 2HH1 ARG 5 2HH1 ARG 5 11.093 -10.285 3.300 48 1HH2 ARG 5 1HH2 ARG 5 9.102 -10.354 6.174 49 2HH2 ARG 5 2HH2 ARG 5 10.256 -11.219 5.216 50 H CYS 6 H CYS 6 8.182 -10.081 -0.389 51 HA CYS 6 HA CYS 6 9.208 -8.712 -2.716 52 1HB CYS 6 1HB CYS 6 9.435 -11.668 -2.339 53 2HB CYS 6 2HB CYS 6 10.551 -10.535 -3.094 54 H GLU 7 H GLU 7 6.705 -11.077 -1.965 55 HA GLU 7 HA GLU 7 6.080 -12.064 -4.447 56 1HB GLU 7 1HB GLU 7 4.477 -11.390 -2.037 57 2HB GLU 7 2HB GLU 7 3.581 -11.638 -3.529 58 1HG GLU 7 1HG GLU 7 4.670 -13.845 -3.765 59 2HG GLU 7 2HG GLU 7 5.443 -13.593 -2.201 60 H LEU 8 H LEU 8 4.876 -9.045 -3.029 61 HA LEU 8 HA LEU 8 3.642 -8.138 -5.409 62 1HB LEU 8 1HB LEU 8 2.850 -7.137 -3.435 63 2HB LEU 8 2HB LEU 8 4.469 -6.768 -2.867 64 HG LEU 8 HG LEU 8 4.582 -5.201 -4.941 65 1HD1 LEU 8 1HD1 LEU 8 1.960 -6.217 -5.220 66 2HD1 LEU 8 2HD1 LEU 8 1.829 -4.512 -4.790 67 3HD1 LEU 8 3HD1 LEU 8 2.775 -4.996 -6.197 68 1HD2 LEU 8 1HD2 LEU 8 3.161 -4.748 -2.361 69 2HD2 LEU 8 2HD2 LEU 8 4.707 -4.116 -2.923 70 3HD2 LEU 8 3HD2 LEU 8 3.201 -3.464 -3.569 71 H ALA 9 H ALA 9 6.896 -7.694 -4.005 72 HA ALA 9 HA ALA 9 7.754 -5.660 -5.736 73 1HB ALA 9 1HB ALA 9 9.788 -7.643 -5.004 74 2HB ALA 9 2HB ALA 9 9.754 -5.895 -4.762 75 3HB ALA 9 3HB ALA 9 8.879 -6.955 -3.657 76 H ALA 10 H ALA 10 8.214 -9.193 -6.060 77 HA ALA 10 HA ALA 10 9.508 -9.226 -8.490 78 1HB ALA 10 1HB ALA 10 8.873 -11.484 -8.689 79 2HB ALA 10 2HB ALA 10 7.383 -11.234 -7.782 80 3HB ALA 10 3HB ALA 10 8.938 -11.190 -6.952 81 H ALA 11 H ALA 11 6.078 -8.928 -7.737 82 HA ALA 11 HA ALA 11 5.154 -9.032 -10.393 83 1HB ALA 11 1HB ALA 11 3.882 -9.121 -8.076 84 2HB ALA 11 2HB ALA 11 3.670 -7.404 -8.423 85 3HB ALA 11 3HB ALA 11 3.074 -8.614 -9.560 86 H MET 12 H MET 12 6.222 -6.485 -8.358 87 HA MET 12 HA MET 12 5.532 -4.259 -9.907 88 1HB MET 12 1HB MET 12 8.103 -4.430 -8.354 89 2HB MET 12 2HB MET 12 7.136 -3.011 -8.670 90 1HG MET 12 1HG MET 12 6.376 -5.291 -6.879 91 2HG MET 12 2HG MET 12 6.940 -3.705 -6.365 92 1HE MET 12 1HE MET 12 5.857 -1.761 -8.055 93 2HE MET 12 2HE MET 12 4.133 -1.438 -7.877 94 3HE MET 12 3HE MET 12 5.186 -1.407 -6.464 95 H LYS 13 H LYS 13 8.572 -6.097 -9.832 96 HA LYS 13 HA LYS 13 9.978 -4.745 -11.784 97 1HB LYS 13 1HB LYS 13 10.558 -6.853 -10.267 98 2HB LYS 13 2HB LYS 13 10.153 -7.724 -11.741 99 1HG LYS 13 1HG LYS 13 11.859 -5.608 -12.486 100 2HG LYS 13 2HG LYS 13 12.565 -6.369 -11.058 101 1HD LYS 13 1HD LYS 13 12.978 -8.320 -12.136 102 2HD LYS 13 2HD LYS 13 11.531 -8.193 -13.140 103 1HE LYS 13 1HE LYS 13 12.746 -7.422 -14.832 104 2HE LYS 13 2HE LYS 13 13.320 -6.085 -13.835 105 1HZ LYS 13 1HZ LYS 13 14.835 -8.081 -12.929 106 2HZ LYS 13 2HZ LYS 13 14.638 -8.571 -14.538 107 3HZ LYS 13 3HZ LYS 13 15.300 -7.054 -14.190 108 H ARG 14 H ARG 14 7.720 -7.451 -12.161 109 HA ARG 14 HA ARG 14 7.928 -7.670 -14.953 110 1HB ARG 14 1HB ARG 14 5.606 -8.337 -13.130 111 2HB ARG 14 2HB ARG 14 5.744 -8.844 -14.808 112 1HG ARG 14 1HG ARG 14 8.123 -9.654 -13.586 113 2HG ARG 14 2HG ARG 14 6.837 -10.045 -12.442 114 1HD ARG 14 1HD ARG 14 5.627 -11.218 -14.229 115 2HD ARG 14 2HD ARG 14 6.937 -10.847 -15.349 116 HE ARG 14 HE ARG 14 7.652 -12.318 -12.945 117 1HH1 ARG 14 1HH1 ARG 14 6.892 -12.401 -16.345 118 2HH1 ARG 14 2HH1 ARG 14 7.613 -13.955 -16.599 119 1HH2 ARG 14 1HH2 ARG 14 8.605 -14.364 -13.271 120 2HH2 ARG 14 2HH2 ARG 14 8.586 -15.071 -14.852 121 H HIS 15 H HIS 15 5.799 -5.747 -12.863 122 HA HIS 15 HA HIS 15 4.281 -4.695 -15.022 123 1HB HIS 15 1HB HIS 15 4.441 -4.293 -12.084 124 2HB HIS 15 2HB HIS 15 3.727 -2.992 -13.034 125 HD1 HIS 15 HD1 HIS 15 2.389 -5.237 -11.004 126 HD2 HIS 15 HD2 HIS 15 1.992 -4.865 -15.123 127 HE1 HIS 15 HE1 HIS 15 0.229 -6.389 -11.578 128 HE2 HIS 15 HE2 HIS 15 -0.032 -6.078 -14.064 129 H GLY 16 H GLY 16 7.454 -4.031 -14.114 130 1HA GLY 16 1HA GLY 16 7.466 -1.725 -15.777 131 2HA GLY 16 2HA GLY 16 8.844 -2.469 -14.996 132 H LEU 17 H LEU 17 7.416 -2.087 -12.247 133 HA LEU 17 HA LEU 17 7.487 0.811 -12.140 134 1HB LEU 17 1HB LEU 17 7.165 -0.917 -9.726 135 2HB LEU 17 2HB LEU 17 6.563 0.701 -10.004 136 HG LEU 17 HG LEU 17 5.362 -1.903 -10.645 137 1HD1 LEU 17 1HD1 LEU 17 4.716 0.172 -9.060 138 2HD1 LEU 17 2HD1 LEU 17 3.792 0.590 -10.504 139 3HD1 LEU 17 3HD1 LEU 17 3.534 -0.965 -9.710 140 1HD2 LEU 17 1HD2 LEU 17 5.391 0.351 -12.616 141 2HD2 LEU 17 2HD2 LEU 17 5.474 -1.388 -12.900 142 3HD2 LEU 17 3HD2 LEU 17 3.944 -0.642 -12.439 143 H ASP 18 H ASP 18 9.689 -1.573 -12.003 144 HA ASP 18 HA ASP 18 11.339 -0.610 -9.877 145 1HB ASP 18 1HB ASP 18 11.829 -2.813 -10.277 146 2HB ASP 18 2HB ASP 18 11.631 -2.662 -12.011 147 H ASN 19 H ASN 19 11.734 1.496 -10.120 148 HA ASN 19 HA ASN 19 12.831 3.377 -10.729 149 1HB ASN 19 1HB ASN 19 14.710 1.560 -11.042 150 2HB ASN 19 2HB ASN 19 14.469 1.890 -12.756 151 2HD2 ASN 19 2HD2 ASN 19 14.656 3.808 -9.771 152 1HD2 ASN 19 1HD2 ASN 19 15.795 4.955 -10.380 153 H TYR 20 H TYR 20 10.453 2.644 -12.006 154 HA TYR 20 HA TYR 20 10.588 3.203 -14.801 155 1HB TYR 20 1HB TYR 20 8.638 2.072 -13.732 156 2HB TYR 20 2HB TYR 20 8.267 3.563 -12.877 157 HD1 TYR 20 HD1 TYR 20 8.702 2.243 -16.341 158 HD2 TYR 20 HD2 TYR 20 6.768 5.063 -13.810 159 HE1 TYR 20 HE1 TYR 20 7.310 2.977 -18.231 160 HE2 TYR 20 HE2 TYR 20 5.370 5.804 -15.692 161 HH TYR 20 HH TYR 20 5.049 4.085 -18.532 162 H ARG 21 H ARG 21 9.564 5.281 -15.700 163 HA ARG 21 HA ARG 21 10.912 7.477 -15.451 164 1HB ARG 21 1HB ARG 21 7.891 7.443 -15.408 165 2HB ARG 21 2HB ARG 21 8.852 8.874 -15.752 166 1HG ARG 21 1HG ARG 21 9.767 7.843 -17.727 167 2HG ARG 21 2HG ARG 21 8.944 6.327 -17.355 168 1HD ARG 21 1HD ARG 21 6.814 7.880 -17.367 169 2HD ARG 21 2HD ARG 21 7.838 8.893 -18.383 170 HE ARG 21 HE ARG 21 7.558 6.081 -19.112 171 1HH1 ARG 21 1HH1 ARG 21 6.729 9.413 -19.704 172 2HH1 ARG 21 2HH1 ARG 21 6.147 9.117 -21.308 173 1HH2 ARG 21 1HH2 ARG 21 6.795 5.683 -21.223 174 2HH2 ARG 21 2HH2 ARG 21 6.184 6.997 -22.172 175 H GLY 22 H GLY 22 8.600 6.451 -13.031 176 1HA GLY 22 1HA GLY 22 8.075 7.304 -10.946 177 2HA GLY 22 2HA GLY 22 9.008 8.742 -11.333 178 H TYR 23 H TYR 23 9.008 5.675 -9.772 179 HA TYR 23 HA TYR 23 11.837 6.050 -9.070 180 1HB TYR 23 1HB TYR 23 9.512 5.647 -7.217 181 2HB TYR 23 2HB TYR 23 11.163 5.299 -6.719 182 HD1 TYR 23 HD1 TYR 23 8.984 8.001 -8.042 183 HD2 TYR 23 HD2 TYR 23 12.555 7.028 -5.945 184 HE1 TYR 23 HE1 TYR 23 9.293 10.375 -7.484 185 HE2 TYR 23 HE2 TYR 23 12.874 9.400 -5.380 186 HH TYR 23 HH TYR 23 11.659 11.820 -6.833 187 H SER 24 H SER 24 12.545 4.184 -7.532 188 HA SER 24 HA SER 24 12.400 1.803 -9.146 189 1HB SER 24 1HB SER 24 14.271 1.022 -7.874 190 2HB SER 24 2HB SER 24 14.545 2.727 -8.231 191 HG SER 24 HG SER 24 14.279 3.222 -6.168 192 H LEU 25 H LEU 25 12.397 -0.320 -8.022 193 HA LEU 25 HA LEU 25 9.989 -1.032 -7.056 194 1HB LEU 25 1HB LEU 25 12.668 -2.166 -7.076 195 2HB LEU 25 2HB LEU 25 11.689 -2.776 -5.756 196 HG LEU 25 HG LEU 25 10.489 -2.734 -8.465 197 1HD1 LEU 25 1HD1 LEU 25 13.000 -3.820 -8.149 198 2HD1 LEU 25 2HD1 LEU 25 11.924 -5.199 -7.921 199 3HD1 LEU 25 3HD1 LEU 25 11.833 -4.245 -9.401 200 1HD2 LEU 25 1HD2 LEU 25 10.388 -4.599 -6.098 201 2HD2 LEU 25 2HD2 LEU 25 9.146 -3.453 -6.602 202 3HD2 LEU 25 3HD2 LEU 25 9.517 -4.851 -7.611 203 H GLY 26 H GLY 26 12.819 -0.568 -4.910 204 1HA GLY 26 1HA GLY 26 12.928 0.277 -2.769 205 2HA GLY 26 2HA GLY 26 11.718 -0.957 -2.475 206 H ASN 27 H ASN 27 11.319 1.991 -4.390 207 HA ASN 27 HA ASN 27 10.023 3.461 -2.336 208 1HB ASN 27 1HB ASN 27 9.792 3.880 -5.318 209 2HB ASN 27 2HB ASN 27 9.458 5.061 -4.055 210 2HD2 ASN 27 2HD2 ASN 27 11.872 3.493 -5.933 211 1HD2 ASN 27 1HD2 ASN 27 13.221 4.410 -5.365 212 H TRP 28 H TRP 28 8.877 1.289 -4.834 213 HA TRP 28 HA TRP 28 6.106 1.899 -4.533 214 1HB TRP 28 1HB TRP 28 7.494 -0.498 -5.723 215 2HB TRP 28 2HB TRP 28 5.759 -0.189 -5.824 216 HD1 TRP 28 HD1 TRP 28 9.025 0.746 -7.385 217 HE1 TRP 28 HE1 TRP 28 8.643 2.464 -9.250 218 HE3 TRP 28 HE3 TRP 28 4.110 1.779 -6.510 219 HZ2 TRP 28 HZ2 TRP 28 6.508 4.038 -10.258 220 HZ3 TRP 28 HZ3 TRP 28 2.951 3.385 -7.964 221 HH2 TRP 28 HH2 TRP 28 4.130 4.496 -9.804 222 H VAL 29 H VAL 29 8.256 -0.580 -3.175 223 HA VAL 29 HA VAL 29 6.213 -1.996 -1.835 224 HB VAL 29 HB VAL 29 9.162 -1.842 -1.193 225 1HG1 VAL 29 1HG1 VAL 29 7.734 -2.758 0.617 226 2HG1 VAL 29 2HG1 VAL 29 7.186 -4.008 -0.501 227 3HG1 VAL 29 3HG1 VAL 29 8.885 -3.924 -0.035 228 1HG2 VAL 29 1HG2 VAL 29 7.713 -3.079 -3.378 229 2HG2 VAL 29 2HG2 VAL 29 9.447 -2.844 -3.161 230 3HG2 VAL 29 3HG2 VAL 29 8.653 -4.252 -2.455 231 H CYS 30 H CYS 30 8.564 0.420 -0.761 232 HA CYS 30 HA CYS 30 7.805 0.548 1.910 233 1HB CYS 30 1HB CYS 30 9.811 1.607 0.690 234 2HB CYS 30 2HB CYS 30 8.722 2.945 0.339 235 H ALA 31 H ALA 31 6.678 2.510 -0.846 236 HA ALA 31 HA ALA 31 4.891 4.113 0.618 237 1HB ALA 31 1HB ALA 31 5.042 3.388 -2.293 238 2HB ALA 31 2HB ALA 31 3.824 4.490 -1.653 239 3HB ALA 31 3HB ALA 31 5.536 4.886 -1.508 240 H ALA 32 H ALA 32 4.362 1.111 -1.206 241 HA ALA 32 HA ALA 32 1.566 1.013 -0.762 242 1HB ALA 32 1HB ALA 32 2.887 -0.202 -2.552 243 2HB ALA 32 2HB ALA 32 3.307 -1.375 -1.303 244 3HB ALA 32 3HB ALA 32 1.618 -1.124 -1.745 245 H LYS 33 H LYS 33 4.281 -0.654 0.834 246 HA LYS 33 HA LYS 33 2.958 -2.277 2.572 247 1HB LYS 33 1HB LYS 33 5.436 -2.105 2.278 248 2HB LYS 33 2HB LYS 33 5.406 -0.663 3.282 249 1HG LYS 33 1HG LYS 33 4.055 -2.851 4.583 250 2HG LYS 33 2HG LYS 33 5.701 -3.295 4.124 251 1HD LYS 33 1HD LYS 33 6.560 -1.312 5.263 252 2HD LYS 33 2HD LYS 33 4.916 -0.846 5.704 253 1HE LYS 33 1HE LYS 33 5.709 -3.577 6.465 254 2HE LYS 33 2HE LYS 33 6.575 -2.281 7.290 255 1HZ LYS 33 1HZ LYS 33 3.708 -1.924 7.133 256 2HZ LYS 33 2HZ LYS 33 4.201 -3.245 8.067 257 3HZ LYS 33 3HZ LYS 33 4.758 -1.692 8.438 258 H PHE 34 H PHE 34 3.998 1.053 3.326 259 HA PHE 34 HA PHE 34 2.539 1.046 5.759 260 1HB PHE 34 1HB PHE 34 4.198 2.952 4.325 261 2HB PHE 34 2HB PHE 34 3.039 3.647 5.440 262 HD1 PHE 34 HD1 PHE 34 3.011 2.428 7.808 263 HD2 PHE 34 HD2 PHE 34 6.296 2.463 5.103 264 HE1 PHE 34 HE1 PHE 34 4.546 1.954 9.671 265 HE2 PHE 34 HE2 PHE 34 7.837 1.988 6.961 266 HZ PHE 34 HZ PHE 34 6.962 1.734 9.249 267 H GLU 35 H GLU 35 1.701 1.795 2.527 268 HA GLU 35 HA GLU 35 -0.383 3.622 3.016 269 1HB GLU 35 1HB GLU 35 0.782 2.248 0.797 270 2HB GLU 35 2HB GLU 35 -0.964 2.074 0.712 271 1HG GLU 35 1HG GLU 35 -1.312 4.355 0.507 272 2HG GLU 35 2HG GLU 35 0.265 4.755 1.186 273 H SER 36 H SER 36 -0.490 0.141 2.299 274 HA SER 36 HA SER 36 -3.069 -0.002 3.725 275 1HB SER 36 1HB SER 36 -3.791 -1.639 1.926 276 2HB SER 36 2HB SER 36 -3.631 0.034 1.394 277 HG SER 36 HG SER 36 -2.395 -2.121 0.458 278 H ASN 37 H ASN 37 -0.047 -1.003 3.976 279 HA ASN 37 HA ASN 37 1.003 -2.794 4.931 280 1HB ASN 37 1HB ASN 37 -1.821 -3.137 5.886 281 2HB ASN 37 2HB ASN 37 -0.648 -4.414 6.193 282 2HD2 ASN 37 2HD2 ASN 37 -2.106 -2.277 7.838 283 1HD2 ASN 37 1HD2 ASN 37 -0.853 -1.608 8.820 284 H PHE 38 H PHE 38 -0.011 -2.830 2.231 285 HA PHE 38 HA PHE 38 0.036 -4.111 0.419 286 1HB PHE 38 1HB PHE 38 0.867 -6.249 2.379 287 2HB PHE 38 2HB PHE 38 0.782 -6.499 0.638 288 HD1 PHE 38 HD1 PHE 38 1.815 -3.979 -0.405 289 HD2 PHE 38 HD2 PHE 38 3.128 -6.307 2.905 290 HE1 PHE 38 HE1 PHE 38 4.074 -3.044 -0.654 291 HE2 PHE 38 HE2 PHE 38 5.391 -5.374 2.664 292 HZ PHE 38 HZ PHE 38 5.869 -3.746 0.881 293 H ASN 39 H ASN 39 -2.356 -3.807 2.226 294 HA ASN 39 HA ASN 39 -3.892 -6.198 1.701 295 1HB ASN 39 1HB ASN 39 -4.255 -4.820 3.751 296 2HB ASN 39 2HB ASN 39 -4.834 -3.512 2.728 297 2HD2 ASN 39 2HD2 ASN 39 -6.668 -3.931 4.307 298 1HD2 ASN 39 1HD2 ASN 39 -7.895 -5.025 3.777 299 H THR 40 H THR 40 -4.506 -6.579 -0.293 300 HA THR 40 HA THR 40 -4.663 -4.602 -2.313 301 HB THR 40 HB THR 40 -4.972 -6.332 -3.781 302 HG1 THR 40 HG1 THR 40 -6.313 -8.104 -3.360 303 1HG2 THR 40 1HG2 THR 40 -3.988 -7.679 -1.277 304 2HG2 THR 40 2HG2 THR 40 -3.970 -8.442 -2.868 305 3HG2 THR 40 3HG2 THR 40 -3.022 -6.983 -2.578 306 H GLN 41 H GLN 41 -6.787 -5.687 0.066 307 HA GLN 41 HA GLN 41 -9.131 -4.628 -1.337 308 1HB GLN 41 1HB GLN 41 -8.653 -6.778 0.633 309 2HB GLN 41 2HB GLN 41 -10.136 -5.876 0.818 310 1HG GLN 41 1HG GLN 41 -9.620 -6.705 -1.926 311 2HG GLN 41 2HG GLN 41 -9.772 -8.049 -0.795 312 2HE2 GLN 41 2HE2 GLN 41 -11.706 -8.083 0.558 313 1HE2 GLN 41 1HE2 GLN 41 -13.185 -7.470 -0.088 314 H ALA 42 H ALA 42 -6.856 -3.514 0.684 315 HA ALA 42 HA ALA 42 -8.280 -2.437 2.857 316 1HB ALA 42 1HB ALA 42 -5.624 -1.998 1.639 317 2HB ALA 42 2HB ALA 42 -6.067 -2.360 3.308 318 3HB ALA 42 3HB ALA 42 -6.251 -0.721 2.681 319 H THR 43 H THR 43 -9.537 -0.743 3.083 320 HA THR 43 HA THR 43 -9.641 1.286 0.945 321 HB THR 43 HB THR 43 -11.950 1.362 0.976 322 HG1 THR 43 HG1 THR 43 -12.787 -0.055 3.045 323 1HG2 THR 43 1HG2 THR 43 -10.833 -1.160 0.731 324 2HG2 THR 43 2HG2 THR 43 -12.198 -1.409 1.821 325 3HG2 THR 43 3HG2 THR 43 -12.458 -0.687 0.233 326 H ASN 44 H ASN 44 -9.517 3.408 1.651 327 HA ASN 44 HA ASN 44 -9.956 3.963 4.487 328 1HB ASN 44 1HB ASN 44 -7.348 3.961 3.145 329 2HB ASN 44 2HB ASN 44 -7.700 5.455 4.008 330 2HD2 ASN 44 2HD2 ASN 44 -8.478 5.178 6.264 331 1HD2 ASN 44 1HD2 ASN 44 -7.750 3.931 7.212 332 H ARG 45 H ARG 45 -11.436 5.517 4.467 333 HA ARG 45 HA ARG 45 -11.663 7.370 2.274 334 1HB ARG 45 1HB ARG 45 -13.557 8.300 3.651 335 2HB ARG 45 2HB ARG 45 -13.712 6.607 3.206 336 1HG ARG 45 1HG ARG 45 -12.638 6.162 5.525 337 2HG ARG 45 2HG ARG 45 -13.147 7.816 5.876 338 1HD ARG 45 1HD ARG 45 -15.391 7.304 5.703 339 2HD ARG 45 2HD ARG 45 -15.097 5.894 4.686 340 HE ARG 45 HE ARG 45 -15.014 6.010 7.583 341 1HH1 ARG 45 1HH1 ARG 45 -14.261 4.209 4.696 342 2HH1 ARG 45 2HH1 ARG 45 -14.158 2.688 5.517 343 1HH2 ARG 45 1HH2 ARG 45 -14.880 4.012 8.672 344 2HH2 ARG 45 2HH2 ARG 45 -14.509 2.576 7.777 345 H ASN 46 H ASN 46 -11.047 9.449 2.187 346 HA ASN 46 HA ASN 46 -9.557 10.511 4.487 347 1HB ASN 46 1HB ASN 46 -9.456 11.674 1.721 348 2HB ASN 46 2HB ASN 46 -8.248 11.754 2.999 349 2HD2 ASN 46 2HD2 ASN 46 -9.490 9.958 0.351 350 1HD2 ASN 46 1HD2 ASN 46 -8.289 8.715 0.345 351 H THR 47 H THR 47 -9.554 13.054 4.385 352 HA THR 47 HA THR 47 -12.320 13.832 4.779 353 HB THR 47 HB THR 47 -11.338 15.967 5.637 354 HG1 THR 47 HG1 THR 47 -9.339 15.665 4.335 355 1HG2 THR 47 1HG2 THR 47 -10.810 13.277 6.750 356 2HG2 THR 47 2HG2 THR 47 -9.944 14.620 7.497 357 3HG2 THR 47 3HG2 THR 47 -11.706 14.632 7.435 358 H ASP 48 H ASP 48 -9.970 14.111 2.321 359 HA ASP 48 HA ASP 48 -10.742 16.592 1.194 360 1HB ASP 48 1HB ASP 48 -9.472 15.932 -0.740 361 2HB ASP 48 2HB ASP 48 -8.606 15.388 0.693 362 H GLY 49 H GLY 49 -12.339 13.638 1.373 363 1HA GLY 49 1HA GLY 49 -14.292 14.557 -0.623 364 2HA GLY 49 2HA GLY 49 -14.619 13.432 0.686 365 H SER 50 H SER 50 -12.770 11.525 0.435 366 HA SER 50 HA SER 50 -13.705 10.030 -1.792 367 1HB SER 50 1HB SER 50 -11.168 9.725 -2.589 368 2HB SER 50 2HB SER 50 -12.230 10.950 -3.281 369 HG SER 50 HG SER 50 -10.352 11.968 -2.702 370 H THR 51 H THR 51 -11.781 8.133 -2.069 371 HA THR 51 HA THR 51 -11.038 7.225 0.606 372 HB THR 51 HB THR 51 -12.491 5.293 -1.164 373 HG1 THR 51 HG1 THR 51 -13.907 6.606 0.868 374 1HG2 THR 51 1HG2 THR 51 -11.135 4.751 0.994 375 2HG2 THR 51 2HG2 THR 51 -12.553 5.386 1.826 376 3HG2 THR 51 3HG2 THR 51 -12.711 4.001 0.745 377 H ASP 52 H ASP 52 -9.775 5.152 0.498 378 HA ASP 52 HA ASP 52 -8.127 5.068 -1.945 379 1HB ASP 52 1HB ASP 52 -7.330 4.650 0.942 380 2HB ASP 52 2HB ASP 52 -6.279 4.301 -0.427 381 H TYR 53 H TYR 53 -9.272 3.434 -2.942 382 HA TYR 53 HA TYR 53 -9.541 0.915 -1.481 383 1HB TYR 53 1HB TYR 53 -10.597 1.608 -4.226 384 2HB TYR 53 2HB TYR 53 -10.997 0.191 -3.267 385 HD1 TYR 53 HD1 TYR 53 -12.090 0.684 -0.935 386 HD2 TYR 53 HD2 TYR 53 -12.017 3.431 -4.182 387 HE1 TYR 53 HE1 TYR 53 -14.026 1.859 0.023 388 HE2 TYR 53 HE2 TYR 53 -13.954 4.613 -3.234 389 HH TYR 53 HH TYR 53 -15.594 3.423 -0.333 390 H GLY 54 H GLY 54 -7.151 0.534 -1.583 391 1HA GLY 54 1HA GLY 54 -5.931 0.176 -4.129 392 2HA GLY 54 2HA GLY 54 -6.494 -1.359 -3.490 393 H ILE 55 H ILE 55 -4.187 -1.902 -3.601 394 HA ILE 55 HA ILE 55 -2.956 -1.690 -1.038 395 HB ILE 55 HB ILE 55 -2.576 -3.615 -2.617 396 1HG1 ILE 55 1HG1 ILE 55 -0.074 -2.130 -1.771 397 2HG1 ILE 55 2HG1 ILE 55 -1.052 -3.152 -0.723 398 1HG2 ILE 55 1HG2 ILE 55 -0.921 -1.581 -4.112 399 2HG2 ILE 55 2HG2 ILE 55 -0.921 -3.318 -4.421 400 3HG2 ILE 55 3HG2 ILE 55 -2.387 -2.374 -4.690 401 1HD1 ILE 55 1HD1 ILE 55 -0.160 -4.474 -3.167 402 2HD1 ILE 55 2HD1 ILE 55 1.148 -3.955 -2.103 403 3HD1 ILE 55 3HD1 ILE 55 -0.116 -5.024 -1.493 404 H LEU 56 H LEU 56 -2.967 0.111 -3.941 405 HA LEU 56 HA LEU 56 -0.784 1.835 -2.995 406 1HB LEU 56 1HB LEU 56 -1.400 0.774 -5.588 407 2HB LEU 56 2HB LEU 56 -1.553 2.518 -5.646 408 HG LEU 56 HG LEU 56 0.665 2.102 -6.299 409 1HD1 LEU 56 1HD1 LEU 56 0.245 3.705 -4.269 410 2HD1 LEU 56 2HD1 LEU 56 1.193 2.502 -3.394 411 3HD1 LEU 56 3HD1 LEU 56 1.885 3.322 -4.795 412 1HD2 LEU 56 1HD2 LEU 56 0.385 -0.193 -4.574 413 2HD2 LEU 56 2HD2 LEU 56 1.518 0.091 -5.895 414 3HD2 LEU 56 3HD2 LEU 56 1.904 0.648 -4.266 415 H GLN 57 H GLN 57 -3.938 1.566 -2.651 416 HA GLN 57 HA GLN 57 -5.574 2.980 -2.027 417 1HB GLN 57 1HB GLN 57 -3.546 5.164 -2.524 418 2HB GLN 57 2HB GLN 57 -5.093 5.372 -1.716 419 1HG GLN 57 1HG GLN 57 -4.271 3.631 -0.051 420 2HG GLN 57 2HG GLN 57 -2.677 3.876 -0.764 421 2HE2 GLN 57 2HE2 GLN 57 -4.259 4.601 1.849 422 1HE2 GLN 57 1HE2 GLN 57 -3.726 6.215 2.158 423 H ILE 58 H ILE 58 -6.516 2.155 -4.135 424 HA ILE 58 HA ILE 58 -6.379 4.043 -6.322 425 HB ILE 58 HB ILE 58 -8.184 1.641 -6.179 426 1HG1 ILE 58 1HG1 ILE 58 -6.009 0.779 -5.643 427 2HG1 ILE 58 2HG1 ILE 58 -6.318 0.410 -7.336 428 1HG2 ILE 58 1HG2 ILE 58 -8.528 3.271 -7.995 429 2HG2 ILE 58 2HG2 ILE 58 -6.860 3.020 -8.511 430 3HG2 ILE 58 3HG2 ILE 58 -8.017 1.691 -8.590 431 1HD1 ILE 58 1HD1 ILE 58 -5.024 2.646 -7.742 432 2HD1 ILE 58 2HD1 ILE 58 -4.383 2.319 -6.132 433 3HD1 ILE 58 3HD1 ILE 58 -4.156 1.142 -7.426 434 H ASN 59 H ASN 59 -7.358 5.886 -5.563 435 HA ASN 59 HA ASN 59 -9.856 5.932 -4.249 436 1HB ASN 59 1HB ASN 59 -8.268 7.823 -4.183 437 2HB ASN 59 2HB ASN 59 -8.525 8.095 -5.903 438 2HD2 ASN 59 2HD2 ASN 59 -9.089 10.255 -5.119 439 1HD2 ASN 59 1HD2 ASN 59 -10.715 10.551 -4.617 440 H SER 60 H SER 60 -11.446 4.801 -5.276 441 HA SER 60 HA SER 60 -11.857 4.695 -8.039 442 1HB SER 60 1HB SER 60 -13.891 3.596 -7.555 443 2HB SER 60 2HB SER 60 -12.828 3.186 -6.209 444 HG SER 60 HG SER 60 -13.850 5.050 -5.126 445 H ARG 61 H ARG 61 -12.277 7.315 -5.977 446 HA ARG 61 HA ARG 61 -14.514 8.472 -7.423 447 1HB ARG 61 1HB ARG 61 -14.189 8.762 -4.943 448 2HB ARG 61 2HB ARG 61 -12.789 9.762 -5.305 449 1HG ARG 61 1HG ARG 61 -14.943 10.758 -6.833 450 2HG ARG 61 2HG ARG 61 -15.533 10.498 -5.191 451 1HD ARG 61 1HD ARG 61 -14.308 12.181 -4.363 452 2HD ARG 61 2HD ARG 61 -12.886 11.725 -5.301 453 HE ARG 61 HE ARG 61 -14.749 12.861 -7.044 454 1HH1 ARG 61 1HH1 ARG 61 -12.740 13.795 -4.355 455 2HH1 ARG 61 2HH1 ARG 61 -12.577 15.437 -4.880 456 1HH2 ARG 61 1HH2 ARG 61 -14.539 15.021 -7.744 457 2HH2 ARG 61 2HH2 ARG 61 -13.599 16.134 -6.807 458 H TRP 62 H TRP 62 -11.074 9.196 -6.881 459 HA TRP 62 HA TRP 62 -11.119 11.228 -8.958 460 1HB TRP 62 1HB TRP 62 -9.514 10.706 -6.667 461 2HB TRP 62 2HB TRP 62 -8.462 10.661 -8.077 462 HD1 TRP 62 HD1 TRP 62 -11.324 13.043 -6.928 463 HE1 TRP 62 HE1 TRP 62 -10.514 15.461 -7.273 464 HE3 TRP 62 HE3 TRP 62 -6.669 12.078 -8.810 465 HZ2 TRP 62 HZ2 TRP 62 -8.206 16.785 -8.217 466 HZ3 TRP 62 HZ3 TRP 62 -5.223 13.977 -9.410 467 HH2 TRP 62 HH2 TRP 62 -5.977 16.281 -9.119 468 H TRP 63 H TRP 63 -10.682 7.910 -8.782 469 HA TRP 63 HA TRP 63 -9.547 7.869 -11.480 470 1HB TRP 63 1HB TRP 63 -8.563 5.967 -9.341 471 2HB TRP 63 2HB TRP 63 -7.965 6.133 -10.985 472 HD1 TRP 63 HD1 TRP 63 -7.015 7.047 -7.601 473 HE1 TRP 63 HE1 TRP 63 -5.311 8.981 -7.607 474 HE3 TRP 63 HE3 TRP 63 -7.594 8.593 -12.409 475 HZ2 TRP 63 HZ2 TRP 63 -4.345 10.921 -9.439 476 HZ3 TRP 63 HZ3 TRP 63 -6.287 10.484 -13.222 477 HH2 TRP 63 HH2 TRP 63 -4.676 11.632 -11.773 478 H CYS 64 H CYS 64 -9.908 5.844 -12.577 479 HA CYS 64 HA CYS 64 -11.353 4.321 -13.410 480 1HB CYS 64 1HB CYS 64 -11.342 2.347 -12.220 481 2HB CYS 64 2HB CYS 64 -10.039 3.219 -11.425 482 H ASN 65 H ASN 65 -13.444 3.531 -13.647 483 HA ASN 65 HA ASN 65 -15.457 5.215 -12.342 484 1HB ASN 65 1HB ASN 65 -15.378 5.112 -14.834 485 2HB ASN 65 2HB ASN 65 -15.759 3.395 -14.741 486 2HD2 ASN 65 2HD2 ASN 65 -17.817 2.753 -14.099 487 1HD2 ASN 65 1HD2 ASN 65 -19.158 3.842 -14.101 488 H ASP 66 H ASP 66 -16.205 4.347 -10.512 489 HA ASP 66 HA ASP 66 -16.562 1.450 -10.329 490 1HB ASP 66 1HB ASP 66 -16.728 1.750 -7.952 491 2HB ASP 66 2HB ASP 66 -15.353 2.692 -8.520 492 H GLY 67 H GLY 67 -18.372 4.341 -10.739 493 1HA GLY 67 1HA GLY 67 -20.801 2.859 -11.062 494 2HA GLY 67 2HA GLY 67 -20.615 4.600 -11.211 495 H ARG 68 H ARG 68 -19.412 3.356 -8.285 496 HA ARG 68 HA ARG 68 -21.937 3.614 -6.868 497 1HB ARG 68 1HB ARG 68 -19.883 1.938 -6.469 498 2HB ARG 68 2HB ARG 68 -19.391 3.235 -5.388 499 1HG ARG 68 1HG ARG 68 -21.487 3.066 -4.184 500 2HG ARG 68 2HG ARG 68 -22.048 1.821 -5.302 501 1HD ARG 68 1HD ARG 68 -19.619 0.848 -4.456 502 2HD ARG 68 2HD ARG 68 -20.261 1.617 -3.006 503 HE ARG 68 HE ARG 68 -22.254 0.023 -4.208 504 1HH1 ARG 68 1HH1 ARG 68 -19.281 -0.247 -2.411 505 2HH1 ARG 68 2HH1 ARG 68 -19.695 -1.775 -1.707 506 1HH2 ARG 68 1HH2 ARG 68 -22.807 -1.987 -3.285 507 2HH2 ARG 68 2HH2 ARG 68 -21.699 -2.763 -2.205 508 H THR 69 H THR 69 -19.630 5.699 -7.938 509 HA THR 69 HA THR 69 -19.998 7.535 -5.664 510 HB THR 69 HB THR 69 -17.888 7.946 -7.756 511 HG1 THR 69 HG1 THR 69 -16.717 6.362 -6.974 512 1HG2 THR 69 1HG2 THR 69 -18.186 8.697 -4.849 513 2HG2 THR 69 2HG2 THR 69 -16.721 8.972 -5.791 514 3HG2 THR 69 3HG2 THR 69 -18.223 9.776 -6.245 515 HA PRO 70 HA PRO 70 -22.431 9.938 -8.526 516 1HB PRO 70 1HB PRO 70 -22.960 12.026 -6.919 517 2HB PRO 70 2HB PRO 70 -23.698 10.439 -6.660 518 1HG PRO 70 1HG PRO 70 -21.362 11.693 -5.268 519 2HG PRO 70 2HG PRO 70 -22.713 10.774 -4.580 520 1HD PRO 70 1HD PRO 70 -20.245 9.702 -5.073 521 2HD PRO 70 2HD PRO 70 -21.744 8.755 -5.066 522 H GLY 71 H GLY 71 -19.432 10.151 -8.505 523 1HA GLY 71 1HA GLY 71 -18.424 12.693 -8.445 524 2HA GLY 71 2HA GLY 71 -19.262 12.601 -9.986 525 H SER 72 H SER 72 -18.559 9.619 -9.987 526 HA SER 72 HA SER 72 -15.822 9.214 -10.026 527 1HB SER 72 1HB SER 72 -16.570 7.535 -11.990 528 2HB SER 72 2HB SER 72 -16.899 7.214 -10.287 529 HG SER 72 HG SER 72 -18.630 7.986 -12.328 530 H ARG 73 H ARG 73 -14.393 10.466 -11.031 531 HA ARG 73 HA ARG 73 -14.958 11.915 -13.414 532 1HB ARG 73 1HB ARG 73 -13.002 11.992 -11.425 533 2HB ARG 73 2HB ARG 73 -12.125 11.571 -12.890 534 1HG ARG 73 1HG ARG 73 -13.184 13.534 -14.003 535 2HG ARG 73 2HG ARG 73 -13.855 13.988 -12.435 536 1HD ARG 73 1HD ARG 73 -10.936 13.460 -12.609 537 2HD ARG 73 2HD ARG 73 -11.548 14.956 -13.311 538 HE ARG 73 HE ARG 73 -11.370 14.292 -10.514 539 1HH1 ARG 73 1HH1 ARG 73 -12.919 16.298 -12.905 540 2HH1 ARG 73 2HH1 ARG 73 -13.342 17.541 -11.775 541 1HH2 ARG 73 1HH2 ARG 73 -11.923 15.923 -9.020 542 2HH2 ARG 73 2HH2 ARG 73 -12.776 17.328 -9.566 543 H ASN 74 H ASN 74 -13.159 8.957 -12.708 544 HA ASN 74 HA ASN 74 -12.501 7.210 -14.033 545 1HB ASN 74 1HB ASN 74 -14.852 7.763 -15.090 546 2HB ASN 74 2HB ASN 74 -13.888 8.395 -16.421 547 2HD2 ASN 74 2HD2 ASN 74 -14.474 6.857 -17.888 548 1HD2 ASN 74 1HD2 ASN 74 -14.009 5.198 -17.764 549 H LEU 75 H LEU 75 -10.925 9.496 -13.689 550 HA LEU 75 HA LEU 75 -9.737 10.594 -15.955 551 1HB LEU 75 1HB LEU 75 -9.097 10.094 -13.126 552 2HB LEU 75 2HB LEU 75 -7.725 10.377 -14.165 553 HG LEU 75 HG LEU 75 -10.101 12.227 -13.804 554 1HD1 LEU 75 1HD1 LEU 75 -8.502 11.927 -11.839 555 2HD1 LEU 75 2HD1 LEU 75 -7.301 12.738 -12.847 556 3HD1 LEU 75 3HD1 LEU 75 -8.792 13.572 -12.406 557 1HD2 LEU 75 1HD2 LEU 75 -7.511 12.612 -15.306 558 2HD2 LEU 75 2HD2 LEU 75 -9.126 12.480 -16.003 559 3HD2 LEU 75 3HD2 LEU 75 -8.707 13.873 -15.006 560 H CYS 76 H CYS 76 -8.985 7.895 -13.999 561 HA CYS 76 HA CYS 76 -6.753 6.960 -15.490 562 1HB CYS 76 1HB CYS 76 -7.769 6.670 -12.985 563 2HB CYS 76 2HB CYS 76 -8.138 5.112 -13.714 564 H ASN 77 H ASN 77 -10.172 6.337 -15.360 565 HA ASN 77 HA ASN 77 -11.591 5.023 -16.578 566 1HB ASN 77 1HB ASN 77 -10.350 6.494 -18.359 567 2HB ASN 77 2HB ASN 77 -9.577 4.976 -18.804 568 2HD2 ASN 77 2HD2 ASN 77 -12.009 6.962 -19.583 569 1HD2 ASN 77 1HD2 ASN 77 -13.120 5.837 -20.280 570 H ILE 78 H ILE 78 -10.333 3.577 -14.813 571 HA ILE 78 HA ILE 78 -9.492 1.163 -16.251 572 HB ILE 78 HB ILE 78 -7.731 0.810 -14.905 573 1HG1 ILE 78 1HG1 ILE 78 -9.620 1.632 -12.779 574 2HG1 ILE 78 2HG1 ILE 78 -8.505 0.275 -12.826 575 1HG2 ILE 78 1HG2 ILE 78 -7.442 3.078 -15.758 576 2HG2 ILE 78 2HG2 ILE 78 -8.198 3.721 -14.301 577 3HG2 ILE 78 3HG2 ILE 78 -6.657 2.871 -14.193 578 1HD1 ILE 78 1HD1 ILE 78 -6.660 1.915 -12.379 579 2HD1 ILE 78 2HD1 ILE 78 -7.911 3.124 -12.091 580 3HD1 ILE 78 3HD1 ILE 78 -7.818 1.691 -11.067 581 HA PRO 79 HA PRO 79 -12.640 -0.943 -13.939 582 1HB PRO 79 1HB PRO 79 -11.237 -3.445 -13.895 583 2HB PRO 79 2HB PRO 79 -12.510 -2.944 -15.006 584 1HG PRO 79 1HG PRO 79 -9.878 -3.386 -15.722 585 2HG PRO 79 2HG PRO 79 -11.027 -2.404 -16.643 586 1HD PRO 79 1HD PRO 79 -8.873 -1.540 -14.760 587 2HD PRO 79 2HD PRO 79 -9.427 -0.783 -16.269 588 H CYS 80 H CYS 80 -12.724 -0.304 -11.843 589 HA CYS 80 HA CYS 80 -10.623 -0.396 -10.017 590 1HB CYS 80 1HB CYS 80 -13.439 -0.549 -9.041 591 2HB CYS 80 2HB CYS 80 -12.111 0.461 -8.480 592 H SER 81 H SER 81 -13.497 -2.534 -10.065 593 HA SER 81 HA SER 81 -12.682 -4.259 -8.060 594 1HB SER 81 1HB SER 81 -14.203 -5.938 -9.188 595 2HB SER 81 2HB SER 81 -14.933 -4.370 -8.845 596 HG SER 81 HG SER 81 -15.420 -5.027 -10.955 597 H ALA 82 H ALA 82 -11.518 -4.066 -11.324 598 HA ALA 82 HA ALA 82 -10.500 -6.722 -11.507 599 1HB ALA 82 1HB ALA 82 -10.956 -4.923 -13.360 600 2HB ALA 82 2HB ALA 82 -9.689 -6.132 -13.564 601 3HB ALA 82 3HB ALA 82 -9.273 -4.496 -13.055 602 H LEU 83 H LEU 83 -9.532 -4.135 -9.650 603 HA LEU 83 HA LEU 83 -6.719 -4.995 -9.606 604 1HB LEU 83 1HB LEU 83 -6.108 -2.911 -8.815 605 2HB LEU 83 2HB LEU 83 -7.422 -2.532 -9.911 606 HG LEU 83 HG LEU 83 -8.775 -2.782 -7.565 607 1HD1 LEU 83 1HD1 LEU 83 -6.469 -3.046 -6.473 608 2HD1 LEU 83 2HD1 LEU 83 -6.276 -1.321 -6.787 609 3HD1 LEU 83 3HD1 LEU 83 -7.595 -1.889 -5.764 610 1HD2 LEU 83 1HD2 LEU 83 -7.706 -0.573 -9.186 611 2HD2 LEU 83 2HD2 LEU 83 -9.353 -0.893 -8.643 612 3HD2 LEU 83 3HD2 LEU 83 -8.193 -0.143 -7.546 613 H LEU 84 H LEU 84 -9.579 -5.457 -7.956 614 HA LEU 84 HA LEU 84 -8.298 -5.758 -5.353 615 1HB LEU 84 1HB LEU 84 -11.185 -6.319 -5.825 616 2HB LEU 84 2HB LEU 84 -10.397 -5.644 -4.412 617 HG LEU 84 HG LEU 84 -10.706 -4.155 -7.016 618 1HD1 LEU 84 1HD1 LEU 84 -12.566 -4.548 -4.773 619 2HD1 LEU 84 2HD1 LEU 84 -12.351 -2.883 -5.315 620 3HD1 LEU 84 3HD1 LEU 84 -12.880 -4.120 -6.455 621 1HD2 LEU 84 1HD2 LEU 84 -8.905 -3.626 -5.169 622 2HD2 LEU 84 2HD2 LEU 84 -9.798 -2.336 -5.974 623 3HD2 LEU 84 3HD2 LEU 84 -10.284 -2.873 -4.366 624 H SER 85 H SER 85 -9.189 -7.694 -8.031 625 HA SER 85 HA SER 85 -9.711 -10.084 -6.558 626 1HB SER 85 1HB SER 85 -9.517 -9.335 -9.410 627 2HB SER 85 2HB SER 85 -9.117 -11.012 -9.036 628 HG SER 85 HG SER 85 -11.521 -9.639 -8.426 629 H SER 86 H SER 86 -7.379 -8.951 -5.711 630 HA SER 86 HA SER 86 -5.298 -9.534 -4.987 631 1HB SER 86 1HB SER 86 -6.000 -12.154 -6.340 632 2HB SER 86 2HB SER 86 -4.528 -11.896 -5.402 633 HG SER 86 HG SER 86 -6.839 -12.646 -4.480 634 H ASP 87 H ASP 87 -6.003 -8.379 -7.576 635 HA ASP 87 HA ASP 87 -3.561 -8.971 -9.098 636 1HB ASP 87 1HB ASP 87 -5.810 -9.577 -10.072 637 2HB ASP 87 2HB ASP 87 -6.172 -7.859 -10.102 638 H ILE 88 H ILE 88 -2.101 -7.335 -8.849 639 HA ILE 88 HA ILE 88 -3.014 -4.692 -8.122 640 HB ILE 88 HB ILE 88 -0.410 -4.279 -8.491 641 1HG1 ILE 88 1HG1 ILE 88 -0.350 -7.140 -7.594 642 2HG1 ILE 88 2HG1 ILE 88 -0.309 -6.757 -9.312 643 1HG2 ILE 88 1HG2 ILE 88 -2.009 -5.276 -6.230 644 2HG2 ILE 88 2HG2 ILE 88 -0.258 -5.363 -6.042 645 3HG2 ILE 88 3HG2 ILE 88 -1.033 -3.814 -6.380 646 1HD1 ILE 88 1HD1 ILE 88 1.592 -5.222 -7.717 647 2HD1 ILE 88 2HD1 ILE 88 1.864 -6.965 -7.687 648 3HD1 ILE 88 3HD1 ILE 88 1.821 -6.105 -9.227 649 H THR 89 H THR 89 -2.626 -6.332 -11.007 650 HA THR 89 HA THR 89 -1.353 -4.666 -12.748 651 HB THR 89 HB THR 89 -4.000 -5.938 -13.438 652 HG1 THR 89 HG1 THR 89 -2.131 -7.236 -12.306 653 1HG2 THR 89 1HG2 THR 89 -2.390 -4.436 -14.989 654 2HG2 THR 89 2HG2 THR 89 -1.663 -6.021 -15.246 655 3HG2 THR 89 3HG2 THR 89 -3.370 -5.764 -15.609 656 H ALA 90 H ALA 90 -4.864 -4.479 -12.075 657 HA ALA 90 HA ALA 90 -5.274 -2.135 -13.482 658 1HB ALA 90 1HB ALA 90 -6.812 -3.735 -11.562 659 2HB ALA 90 2HB ALA 90 -7.300 -2.049 -11.726 660 3HB ALA 90 3HB ALA 90 -7.274 -3.100 -13.141 661 H SER 91 H SER 91 -4.663 -2.635 -10.015 662 HA SER 91 HA SER 91 -4.929 0.062 -9.237 663 1HB SER 91 1HB SER 91 -3.016 -1.154 -7.549 664 2HB SER 91 2HB SER 91 -4.738 -0.935 -7.239 665 HG SER 91 HG SER 91 -3.752 -3.097 -8.768 666 H VAL 92 H VAL 92 -2.239 -1.752 -10.504 667 HA VAL 92 HA VAL 92 -0.349 0.320 -9.962 668 HB VAL 92 HB VAL 92 -0.109 -2.113 -11.726 669 1HG1 VAL 92 1HG1 VAL 92 1.736 0.218 -11.334 670 2HG1 VAL 92 2HG1 VAL 92 2.404 -1.387 -11.626 671 3HG1 VAL 92 3HG1 VAL 92 1.330 -0.647 -12.815 672 1HG2 VAL 92 1HG2 VAL 92 -0.115 -2.235 -9.150 673 2HG2 VAL 92 2HG2 VAL 92 1.186 -3.046 -10.021 674 3HG2 VAL 92 3HG2 VAL 92 1.477 -1.484 -9.257 675 H ASN 93 H ASN 93 -1.867 -0.857 -12.977 676 HA ASN 93 HA ASN 93 -0.781 0.811 -14.756 677 1HB ASN 93 1HB ASN 93 -2.272 -0.202 -16.029 678 2HB ASN 93 2HB ASN 93 -3.089 -0.760 -14.593 679 2HD2 ASN 93 2HD2 ASN 93 -5.046 0.029 -14.110 680 1HD2 ASN 93 1HD2 ASN 93 -5.835 1.301 -14.971 681 H CYS 94 H CYS 94 -3.385 1.516 -12.526 682 HA CYS 94 HA CYS 94 -3.906 4.142 -13.374 683 1HB CYS 94 1HB CYS 94 -5.156 2.546 -11.658 684 2HB CYS 94 2HB CYS 94 -4.186 3.440 -10.488 685 H ALA 95 H ALA 95 -1.803 2.887 -10.777 686 HA ALA 95 HA ALA 95 -0.837 5.460 -10.057 687 1HB ALA 95 1HB ALA 95 -0.641 3.823 -8.411 688 2HB ALA 95 2HB ALA 95 0.202 2.714 -9.496 689 3HB ALA 95 3HB ALA 95 1.006 4.178 -8.930 690 H LYS 96 H LYS 96 0.293 3.012 -12.332 691 HA LYS 96 HA LYS 96 2.811 3.916 -12.925 692 1HB LYS 96 1HB LYS 96 1.626 1.940 -13.974 693 2HB LYS 96 2HB LYS 96 0.776 3.080 -15.006 694 1HG LYS 96 1HG LYS 96 2.581 3.462 -16.309 695 2HG LYS 96 2HG LYS 96 3.720 3.284 -14.973 696 1HD LYS 96 1HD LYS 96 4.194 1.379 -16.147 697 2HD LYS 96 2HD LYS 96 2.921 0.770 -15.087 698 1HE LYS 96 1HE LYS 96 1.811 0.135 -16.905 699 2HE LYS 96 2HE LYS 96 1.593 1.839 -17.299 700 1HZ LYS 96 1HZ LYS 96 4.175 0.922 -18.066 701 2HZ LYS 96 2HZ LYS 96 2.965 -0.026 -18.774 702 3HZ LYS 96 3HZ LYS 96 2.973 1.648 -19.009 703 H LYS 97 H LYS 97 -0.317 5.071 -13.703 704 HA LYS 97 HA LYS 97 0.559 7.294 -15.359 705 1HB LYS 97 1HB LYS 97 -2.177 6.640 -14.240 706 2HB LYS 97 2HB LYS 97 -1.833 7.920 -15.394 707 1HG LYS 97 1HG LYS 97 -0.759 5.669 -16.578 708 2HG LYS 97 2HG LYS 97 -2.248 5.089 -15.832 709 1HD LYS 97 1HD LYS 97 -3.555 6.241 -17.259 710 2HD LYS 97 2HD LYS 97 -2.497 7.653 -17.240 711 1HE LYS 97 1HE LYS 97 -1.485 7.033 -19.129 712 2HE LYS 97 2HE LYS 97 -1.264 5.381 -18.554 713 1HZ LYS 97 1HZ LYS 97 -3.943 5.590 -19.091 714 2HZ LYS 97 2HZ LYS 97 -3.201 6.415 -20.368 715 3HZ LYS 97 3HZ LYS 97 -2.785 4.807 -20.045 716 H ILE 98 H ILE 98 -0.585 6.714 -12.074 717 HA ILE 98 HA ILE 98 -0.877 9.353 -11.244 718 HB ILE 98 HB ILE 98 -0.061 6.970 -9.604 719 1HG1 ILE 98 1HG1 ILE 98 -2.755 8.331 -9.865 720 2HG1 ILE 98 2HG1 ILE 98 -2.298 6.894 -10.772 721 1HG2 ILE 98 1HG2 ILE 98 -0.811 9.770 -8.821 722 2HG2 ILE 98 2HG2 ILE 98 -1.000 8.409 -7.716 723 3HG2 ILE 98 3HG2 ILE 98 0.599 8.830 -8.333 724 1HD1 ILE 98 1HD1 ILE 98 -1.823 6.494 -7.970 725 2HD1 ILE 98 2HD1 ILE 98 -3.484 7.015 -8.253 726 3HD1 ILE 98 3HD1 ILE 98 -2.854 5.588 -9.077 727 H VAL 99 H VAL 99 1.931 7.227 -11.036 728 HA VAL 99 HA VAL 99 3.659 9.218 -9.963 729 HB VAL 99 HB VAL 99 3.955 6.749 -9.637 730 1HG1 VAL 99 1HG1 VAL 99 3.532 6.080 -11.966 731 2HG1 VAL 99 2HG1 VAL 99 5.049 6.842 -12.446 732 3HG1 VAL 99 3HG1 VAL 99 5.064 5.453 -11.358 733 1HG2 VAL 99 1HG2 VAL 99 5.968 8.750 -10.188 734 2HG2 VAL 99 2HG2 VAL 99 5.914 7.527 -8.919 735 3HG2 VAL 99 3HG2 VAL 99 6.568 7.122 -10.506 736 H SER 100 H SER 100 2.770 8.235 -13.196 737 HA SER 100 HA SER 100 5.037 9.574 -14.412 738 1HB SER 100 1HB SER 100 3.924 7.500 -15.367 739 2HB SER 100 2HB SER 100 2.572 8.539 -15.817 740 HG SER 100 HG SER 100 4.764 8.128 -17.180 741 H ASP 101 H ASP 101 2.203 10.583 -13.051 742 HA ASP 101 HA ASP 101 2.250 13.066 -14.632 743 1HB ASP 101 1HB ASP 101 -0.100 11.332 -13.998 744 2HB ASP 101 2HB ASP 101 -0.330 13.076 -14.093 745 H GLY 102 H GLY 102 2.390 11.614 -11.605 746 1HA GLY 102 1HA GLY 102 1.646 12.477 -9.489 747 2HA GLY 102 2HA GLY 102 1.476 14.055 -10.237 748 H ASN 103 H ASN 103 3.084 12.765 -7.905 749 HA ASN 103 HA ASN 103 5.677 13.961 -8.626 750 1HB ASN 103 1HB ASN 103 3.878 15.003 -6.804 751 2HB ASN 103 2HB ASN 103 5.013 14.122 -5.787 752 2HD2 ASN 103 2HD2 ASN 103 5.872 15.974 -4.896 753 1HD2 ASN 103 1HD2 ASN 103 6.889 17.051 -5.785 754 H GLY 104 H GLY 104 5.623 11.402 -9.060 755 1HA GLY 104 1HA GLY 104 7.588 10.301 -7.433 756 2HA GLY 104 2HA GLY 104 6.584 9.386 -8.542 757 H MET 105 H MET 105 7.608 9.337 -5.543 758 HA MET 105 HA MET 105 5.340 7.810 -4.579 759 1HB MET 105 1HB MET 105 7.795 8.214 -2.944 760 2HB MET 105 2HB MET 105 6.824 6.765 -3.169 761 1HG MET 105 1HG MET 105 8.747 7.931 -5.170 762 2HG MET 105 2HG MET 105 9.037 6.524 -4.147 763 1HE MET 105 1HE MET 105 6.897 4.792 -4.001 764 2HE MET 105 2HE MET 105 5.551 5.725 -4.656 765 3HE MET 105 3HE MET 105 6.057 4.232 -5.449 766 H ASN 106 H ASN 106 6.252 10.976 -4.485 767 HA ASN 106 HA ASN 106 5.791 11.578 -1.743 768 1HB ASN 106 1HB ASN 106 5.485 13.619 -3.908 769 2HB ASN 106 2HB ASN 106 6.218 13.769 -2.318 770 2HD2 ASN 106 2HD2 ASN 106 7.232 14.479 -4.977 771 1HD2 ASN 106 1HD2 ASN 106 8.738 13.646 -5.135 772 H ALA 107 H ALA 107 3.766 11.344 -4.594 773 HA ALA 107 HA ALA 107 1.555 12.817 -3.848 774 1HB ALA 107 1HB ALA 107 1.671 10.195 -5.332 775 2HB ALA 107 2HB ALA 107 0.236 11.214 -5.222 776 3HB ALA 107 3HB ALA 107 1.686 11.817 -6.025 777 H TRP 108 H TRP 108 2.315 9.455 -3.031 778 HA TRP 108 HA TRP 108 -0.007 9.172 -1.365 779 1HB TRP 108 1HB TRP 108 2.416 7.394 -1.712 780 2HB TRP 108 2HB TRP 108 0.974 6.961 -0.797 781 HD1 TRP 108 HD1 TRP 108 -1.296 6.533 -2.221 782 HE1 TRP 108 HE1 TRP 108 -1.645 5.837 -4.674 783 HE3 TRP 108 HE3 TRP 108 3.356 7.614 -4.042 784 HZ2 TRP 108 HZ2 TRP 108 -0.147 5.758 -7.075 785 HZ3 TRP 108 HZ3 TRP 108 3.816 7.204 -6.421 786 HH2 TRP 108 HH2 TRP 108 2.103 6.293 -7.904 787 H VAL 109 H VAL 109 -0.201 9.511 0.732 788 HA VAL 109 HA VAL 109 1.795 10.965 2.141 789 HB VAL 109 HB VAL 109 -0.366 9.900 3.713 790 1HG1 VAL 109 1HG1 VAL 109 1.141 11.719 4.421 791 2HG1 VAL 109 2HG1 VAL 109 0.474 12.725 3.135 792 3HG1 VAL 109 3HG1 VAL 109 -0.560 12.182 4.456 793 1HG2 VAL 109 1HG2 VAL 109 -0.900 11.239 1.128 794 2HG2 VAL 109 2HG2 VAL 109 -1.849 10.025 1.987 795 3HG2 VAL 109 3HG2 VAL 109 -1.888 11.707 2.512 796 H ALA 110 H ALA 110 0.960 7.597 2.078 797 HA ALA 110 HA ALA 110 2.010 6.961 4.649 798 1HB ALA 110 1HB ALA 110 2.215 4.720 2.910 799 2HB ALA 110 2HB ALA 110 1.040 5.017 4.191 800 3HB ALA 110 3HB ALA 110 0.712 5.568 2.548 801 H TRP 111 H TRP 111 3.373 7.500 1.544 802 HA TRP 111 HA TRP 111 5.909 6.273 2.243 803 1HB TRP 111 1HB TRP 111 5.166 6.109 -0.078 804 2HB TRP 111 2HB TRP 111 5.111 7.857 -0.210 805 HD1 TRP 111 HD1 TRP 111 7.467 4.926 -0.433 806 HE1 TRP 111 HE1 TRP 111 9.804 5.750 -1.127 807 HE3 TRP 111 HE3 TRP 111 6.735 9.964 0.062 808 HZ2 TRP 111 HZ2 TRP 111 11.160 8.207 -1.424 809 HZ3 TRP 111 HZ3 TRP 111 8.604 11.481 -0.447 810 HH2 TRP 111 HH2 TRP 111 10.769 10.620 -1.174 811 H ARG 112 H ARG 112 4.465 9.497 2.008 812 HA ARG 112 HA ARG 112 6.996 10.745 2.741 813 1HB ARG 112 1HB ARG 112 4.503 11.583 1.496 814 2HB ARG 112 2HB ARG 112 5.049 12.695 2.742 815 1HG ARG 112 1HG ARG 112 6.937 11.750 0.625 816 2HG ARG 112 2HG ARG 112 5.805 13.064 0.299 817 1HD ARG 112 1HD ARG 112 7.654 13.063 2.672 818 2HD ARG 112 2HD ARG 112 8.120 13.724 1.106 819 HE ARG 112 HE ARG 112 5.831 15.019 1.571 820 1HH1 ARG 112 1HH1 ARG 112 8.596 14.438 3.612 821 2HH1 ARG 112 2HH1 ARG 112 8.397 15.901 4.516 822 1HH2 ARG 112 1HH2 ARG 112 5.564 16.949 2.757 823 2HH2 ARG 112 2HH2 ARG 112 6.674 17.328 4.030 824 H ASN 113 H ASN 113 6.093 9.063 4.688 825 HA ASN 113 HA ASN 113 5.678 10.917 6.873 826 1HB ASN 113 1HB ASN 113 3.373 10.203 6.004 827 2HB ASN 113 2HB ASN 113 3.751 8.612 6.658 828 2HD2 ASN 113 2HD2 ASN 113 3.992 12.001 7.693 829 1HD2 ASN 113 1HD2 ASN 113 3.328 11.743 9.266 830 H ARG 114 H ARG 114 5.396 7.423 6.287 831 HA ARG 114 HA ARG 114 7.196 6.963 8.555 832 1HB ARG 114 1HB ARG 114 4.996 5.435 7.281 833 2HB ARG 114 2HB ARG 114 6.320 4.509 7.962 834 1HG ARG 114 1HG ARG 114 5.038 6.641 9.602 835 2HG ARG 114 2HG ARG 114 4.225 5.088 9.402 836 1HD ARG 114 1HD ARG 114 5.694 4.008 10.716 837 2HD ARG 114 2HD ARG 114 7.073 4.895 10.069 838 HE ARG 114 HE ARG 114 5.255 6.140 12.019 839 1HH1 ARG 114 1HH1 ARG 114 8.443 5.130 11.039 840 2HH1 ARG 114 2HH1 ARG 114 9.242 5.938 12.345 841 1HH2 ARG 114 1HH2 ARG 114 6.298 7.207 13.743 842 2HH2 ARG 114 2HH2 ARG 114 8.022 7.119 13.883 843 H CYS 115 H CYS 115 7.418 7.272 5.296 844 HA CYS 115 HA CYS 115 9.532 5.233 5.097 845 1HB CYS 115 1HB CYS 115 7.610 4.995 3.523 846 2HB CYS 115 2HB CYS 115 8.057 6.546 2.817 847 H LYS 116 H LYS 116 8.718 8.557 4.097 848 HA LYS 116 HA LYS 116 11.134 9.240 2.938 849 1HB LYS 116 1HB LYS 116 9.101 10.637 2.863 850 2HB LYS 116 2HB LYS 116 9.315 11.028 4.563 851 1HG LYS 116 1HG LYS 116 10.203 12.876 3.524 852 2HG LYS 116 2HG LYS 116 11.641 11.894 3.811 853 1HD LYS 116 1HD LYS 116 10.441 11.190 1.295 854 2HD LYS 116 2HD LYS 116 10.732 12.930 1.367 855 1HE LYS 116 1HE LYS 116 13.057 12.046 2.370 856 2HE LYS 116 2HE LYS 116 12.649 10.677 1.336 857 1HZ LYS 116 1HZ LYS 116 12.181 12.648 -0.347 858 2HZ LYS 116 2HZ LYS 116 13.350 13.412 0.608 859 3HZ LYS 116 3HZ LYS 116 13.715 11.957 -0.173 860 H GLY 117 H GLY 117 12.960 8.544 3.980 861 1HA GLY 117 1HA GLY 117 13.418 9.642 6.682 862 2HA GLY 117 2HA GLY 117 14.635 9.755 5.422 863 H THR 118 H THR 118 13.381 6.857 4.769 864 HA THR 118 HA THR 118 15.115 5.471 6.705 865 HB THR 118 HB THR 118 13.708 3.482 6.402 866 HG1 THR 118 HG1 THR 118 12.360 3.417 4.780 867 1HG2 THR 118 1HG2 THR 118 12.729 6.014 7.511 868 2HG2 THR 118 2HG2 THR 118 11.464 4.831 7.181 869 3HG2 THR 118 3HG2 THR 118 12.807 4.411 8.243 870 H ASP 119 H ASP 119 14.723 2.960 5.144 871 HA ASP 119 HA ASP 119 16.273 3.580 2.744 872 1HB ASP 119 1HB ASP 119 17.580 2.765 4.840 873 2HB ASP 119 2HB ASP 119 17.010 1.210 4.281 874 H VAL 120 H VAL 120 14.899 3.007 1.180 875 HA VAL 120 HA VAL 120 13.122 0.783 1.393 876 HB VAL 120 HB VAL 120 12.545 1.275 -0.950 877 1HG1 VAL 120 1HG1 VAL 120 11.589 2.550 1.008 878 2HG1 VAL 120 2HG1 VAL 120 12.714 3.846 0.603 879 3HG1 VAL 120 3HG1 VAL 120 11.482 3.353 -0.558 880 1HG2 VAL 120 1HG2 VAL 120 15.029 2.865 -0.781 881 2HG2 VAL 120 2HG2 VAL 120 14.316 2.014 -2.152 882 3HG2 VAL 120 3HG2 VAL 120 13.693 3.593 -1.672 883 H GLN 121 H GLN 121 16.276 1.377 0.006 884 HA GLN 121 HA GLN 121 16.469 -0.849 -1.687 885 1HB GLN 121 1HB GLN 121 18.092 1.157 -1.359 886 2HB GLN 121 2HB GLN 121 18.806 0.169 -0.092 887 1HG GLN 121 1HG GLN 121 19.290 -1.585 -1.692 888 2HG GLN 121 2HG GLN 121 18.510 -0.654 -2.971 889 2HE2 GLN 121 2HE2 GLN 121 19.425 1.729 -2.965 890 1HE2 GLN 121 1HE2 GLN 121 21.149 1.815 -3.026 891 H ALA 122 H ALA 122 16.517 -0.518 1.729 892 HA ALA 122 HA ALA 122 17.604 -3.178 2.183 893 1HB ALA 122 1HB ALA 122 18.387 -1.677 3.785 894 2HB ALA 122 2HB ALA 122 17.090 -2.529 4.622 895 3HB ALA 122 3HB ALA 122 16.811 -0.911 3.978 896 H TRP 123 H TRP 123 14.571 -1.584 1.833 897 HA TRP 123 HA TRP 123 12.936 -3.305 3.363 898 1HB TRP 123 1HB TRP 123 12.491 -1.375 1.145 899 2HB TRP 123 2HB TRP 123 11.221 -2.555 1.452 900 HD1 TRP 123 HD1 TRP 123 11.529 0.797 2.116 901 HE1 TRP 123 HE1 TRP 123 10.625 1.529 4.412 902 HE3 TRP 123 HE3 TRP 123 11.435 -3.723 4.471 903 HZ2 TRP 123 HZ2 TRP 123 9.973 0.315 6.864 904 HZ3 TRP 123 HZ3 TRP 123 10.661 -3.861 6.781 905 HH2 TRP 123 HH2 TRP 123 9.937 -1.859 7.966 906 H ILE 124 H ILE 124 14.639 -3.819 0.463 907 HA ILE 124 HA ILE 124 13.170 -6.337 0.033 908 HB ILE 124 HB ILE 124 13.843 -6.132 -2.395 909 1HG1 ILE 124 1HG1 ILE 124 13.916 -3.186 -2.121 910 2HG1 ILE 124 2HG1 ILE 124 15.357 -4.038 -1.576 911 1HG2 ILE 124 1HG2 ILE 124 11.841 -4.275 -1.142 912 2HG2 ILE 124 2HG2 ILE 124 11.978 -4.484 -2.888 913 3HG2 ILE 124 3HG2 ILE 124 11.565 -5.860 -1.864 914 1HD1 ILE 124 1HD1 ILE 124 15.083 -5.242 -3.911 915 2HD1 ILE 124 2HD1 ILE 124 14.241 -3.742 -4.301 916 3HD1 ILE 124 3HD1 ILE 124 15.914 -3.695 -3.746 917 H ARG 125 H ARG 125 15.794 -5.316 1.355 918 HA ARG 125 HA ARG 125 17.943 -6.509 -0.042 919 1HB ARG 125 1HB ARG 125 17.923 -4.815 1.956 920 2HB ARG 125 2HB ARG 125 17.932 -6.270 2.944 921 1HG ARG 125 1HG ARG 125 20.115 -6.476 2.675 922 2HG ARG 125 2HG ARG 125 19.925 -6.515 0.921 923 1HD ARG 125 1HD ARG 125 19.641 -3.846 2.067 924 2HD ARG 125 2HD ARG 125 21.225 -4.566 2.352 925 HE ARG 125 HE ARG 125 20.210 -4.649 -0.375 926 1HH1 ARG 125 1HH1 ARG 125 22.289 -3.120 1.966 927 2HH1 ARG 125 2HH1 ARG 125 23.279 -2.348 0.773 928 1HH2 ARG 125 1HH2 ARG 125 21.508 -3.636 -1.952 929 2HH2 ARG 125 2HH2 ARG 125 22.835 -2.641 -1.454 930 H GLY 126 H GLY 126 17.419 -8.591 -0.679 931 1HA GLY 126 1HA GLY 126 17.130 -10.544 1.521 932 2HA GLY 126 2HA GLY 126 18.142 -10.836 0.116 933 H CYS 127 H CYS 127 15.467 -9.202 -0.931 934 HA CYS 127 HA CYS 127 13.507 -11.210 -0.988 935 1HB CYS 127 1HB CYS 127 13.918 -8.631 -2.270 936 2HB CYS 127 2HB CYS 127 12.787 -9.705 -3.065 937 H ARG 128 H ARG 128 12.593 -11.607 -3.447 938 HA ARG 128 HA ARG 128 14.823 -12.737 -4.997 939 1HB ARG 128 1HB ARG 128 12.899 -14.218 -3.553 940 2HB ARG 128 2HB ARG 128 12.481 -14.384 -5.253 941 1HG ARG 128 1HG ARG 128 15.331 -14.728 -4.598 942 2HG ARG 128 2HG ARG 128 14.237 -15.966 -3.979 943 1HD ARG 128 1HD ARG 128 13.697 -15.236 -6.749 944 2HD ARG 128 2HD ARG 128 15.321 -15.879 -6.508 945 HE ARG 128 HE ARG 128 13.030 -17.364 -5.446 946 1HH1 ARG 128 1HH1 ARG 128 15.659 -17.099 -7.719 947 2HH1 ARG 128 2HH1 ARG 128 15.585 -18.763 -8.195 948 1HH2 ARG 128 1HH2 ARG 128 12.927 -19.556 -6.068 949 2HH2 ARG 128 2HH2 ARG 128 14.031 -20.159 -7.257 950 H LEU 129 H LEU 129 14.546 -10.843 -6.321 951 HA LEU 129 HA LEU 129 12.359 -11.175 -8.250 952 1HB LEU 129 1HB LEU 129 12.277 -8.652 -8.416 953 2HB LEU 129 2HB LEU 129 11.582 -9.359 -6.971 954 HG LEU 129 HG LEU 129 14.213 -8.841 -6.252 955 1HD1 LEU 129 1HD1 LEU 129 13.242 -6.874 -8.246 956 2HD1 LEU 129 2HD1 LEU 129 14.075 -6.256 -6.820 957 3HD1 LEU 129 3HD1 LEU 129 14.883 -7.407 -7.883 958 1HD2 LEU 129 1HD2 LEU 129 11.824 -8.460 -5.176 959 2HD2 LEU 129 2HD2 LEU 129 13.252 -7.597 -4.606 960 3HD2 LEU 129 3HD2 LEU 129 12.124 -6.806 -5.707 No H/Q in entry = 960 Start of MODEL 26 1 H1 LYS 1 H1 LYS 1 -6.769 -9.573 2.455 2 H2 LYS 1 H2 LYS 1 -7.557 -9.790 0.973 3 H3 LYS 1 H3 LYS 1 -7.622 -11.002 2.153 4 HA LYS 1 HA LYS 1 -5.447 -11.651 1.838 5 1HB LYS 1 1HB LYS 1 -6.570 -10.767 -0.828 6 2HB LYS 1 2HB LYS 1 -5.231 -11.891 -0.641 7 1HG LYS 1 1HG LYS 1 -6.832 -13.305 0.749 8 2HG LYS 1 2HG LYS 1 -8.110 -12.277 0.097 9 1HD LYS 1 1HD LYS 1 -6.321 -13.207 -1.980 10 2HD LYS 1 2HD LYS 1 -7.033 -14.550 -1.085 11 1HE LYS 1 1HE LYS 1 -9.080 -12.651 -1.559 12 2HE LYS 1 2HE LYS 1 -8.222 -12.899 -3.080 13 1HZ LYS 1 1HZ LYS 1 -9.251 -15.115 -1.398 14 2HZ LYS 1 2HZ LYS 1 -10.111 -14.444 -2.692 15 3HZ LYS 1 3HZ LYS 1 -8.634 -15.223 -2.969 16 H VAL 2 H VAL 2 -3.649 -10.651 2.489 17 HA VAL 2 HA VAL 2 -2.833 -8.153 1.174 18 HB VAL 2 HB VAL 2 -1.996 -9.391 3.800 19 1HG1 VAL 2 1HG1 VAL 2 -0.314 -7.937 2.235 20 2HG1 VAL 2 2HG1 VAL 2 -1.080 -6.672 3.193 21 3HG1 VAL 2 3HG1 VAL 2 -0.241 -7.998 3.996 22 1HG2 VAL 2 1HG2 VAL 2 -4.127 -7.723 3.135 23 2HG2 VAL 2 2HG2 VAL 2 -3.520 -8.083 4.751 24 3HG2 VAL 2 3HG2 VAL 2 -2.928 -6.667 3.883 25 H PHE 3 H PHE 3 -0.868 -7.974 0.102 26 HA PHE 3 HA PHE 3 0.410 -10.423 -0.708 27 1HB PHE 3 1HB PHE 3 1.070 -7.522 -1.270 28 2HB PHE 3 2HB PHE 3 1.939 -8.883 -1.961 29 HD1 PHE 3 HD1 PHE 3 -0.250 -10.699 -2.694 30 HD2 PHE 3 HD2 PHE 3 0.064 -6.470 -3.017 31 HE1 PHE 3 HE1 PHE 3 -1.812 -10.728 -4.592 32 HE2 PHE 3 HE2 PHE 3 -1.498 -6.490 -4.905 33 HZ PHE 3 HZ PHE 3 -2.438 -8.619 -5.704 34 H GLY 4 H GLY 4 2.901 -10.391 -0.714 35 1HA GLY 4 1HA GLY 4 4.582 -10.935 0.861 36 2HA GLY 4 2HA GLY 4 3.767 -9.915 2.042 37 H ARG 5 H ARG 5 6.581 -9.869 1.330 38 HA ARG 5 HA ARG 5 6.749 -7.041 0.646 39 1HB ARG 5 1HB ARG 5 9.229 -7.447 1.249 40 2HB ARG 5 2HB ARG 5 8.039 -7.477 2.543 41 1HG ARG 5 1HG ARG 5 8.015 -9.929 2.447 42 2HG ARG 5 2HG ARG 5 9.244 -9.877 1.180 43 1HD ARG 5 1HD ARG 5 10.164 -8.277 3.323 44 2HD ARG 5 2HD ARG 5 9.581 -9.791 4.012 45 HE ARG 5 HE ARG 5 11.109 -10.578 1.908 46 1HH1 ARG 5 1HH1 ARG 5 11.656 -8.525 4.670 47 2HH1 ARG 5 2HH1 ARG 5 13.346 -8.893 4.770 48 1HH2 ARG 5 1HH2 ARG 5 13.332 -11.068 2.032 49 2HH2 ARG 5 2HH2 ARG 5 14.298 -10.337 3.270 50 H CYS 6 H CYS 6 8.407 -10.043 -0.352 51 HA CYS 6 HA CYS 6 9.385 -8.699 -2.713 52 1HB CYS 6 1HB CYS 6 9.602 -11.654 -2.277 53 2HB CYS 6 2HB CYS 6 10.692 -10.556 -3.119 54 H GLU 7 H GLU 7 6.907 -11.076 -1.904 55 HA GLU 7 HA GLU 7 6.225 -12.066 -4.366 56 1HB GLU 7 1HB GLU 7 5.038 -12.087 -1.897 57 2HB GLU 7 2HB GLU 7 3.895 -11.125 -2.824 58 1HG GLU 7 1HG GLU 7 3.012 -13.122 -3.321 59 2HG GLU 7 2HG GLU 7 4.292 -13.167 -4.533 60 H LEU 8 H LEU 8 5.059 -9.040 -2.932 61 HA LEU 8 HA LEU 8 3.757 -8.150 -5.286 62 1HB LEU 8 1HB LEU 8 3.013 -7.142 -3.294 63 2HB LEU 8 2HB LEU 8 4.644 -6.758 -2.775 64 HG LEU 8 HG LEU 8 4.709 -5.194 -4.833 65 1HD1 LEU 8 1HD1 LEU 8 2.034 -6.216 -5.012 66 2HD1 LEU 8 2HD1 LEU 8 2.013 -4.466 -4.798 67 3HD1 LEU 8 3HD1 LEU 8 2.918 -5.181 -6.133 68 1HD2 LEU 8 1HD2 LEU 8 3.392 -4.801 -2.219 69 2HD2 LEU 8 2HD2 LEU 8 4.786 -3.985 -2.925 70 3HD2 LEU 8 3HD2 LEU 8 3.155 -3.542 -3.429 71 H ALA 9 H ALA 9 7.046 -7.704 -3.969 72 HA ALA 9 HA ALA 9 7.859 -5.673 -5.725 73 1HB ALA 9 1HB ALA 9 9.161 -6.279 -3.778 74 2HB ALA 9 2HB ALA 9 10.145 -6.382 -5.239 75 3HB ALA 9 3HB ALA 9 9.523 -7.853 -4.488 76 H ALA 10 H ALA 10 8.310 -9.207 -6.045 77 HA ALA 10 HA ALA 10 9.544 -9.249 -8.508 78 1HB ALA 10 1HB ALA 10 7.946 -11.448 -8.665 79 2HB ALA 10 2HB ALA 10 9.467 -11.381 -7.776 80 3HB ALA 10 3HB ALA 10 7.938 -11.140 -6.930 81 H ALA 11 H ALA 11 6.133 -8.945 -7.669 82 HA ALA 11 HA ALA 11 5.142 -9.058 -10.300 83 1HB ALA 11 1HB ALA 11 3.997 -7.840 -7.811 84 2HB ALA 11 2HB ALA 11 3.608 -9.410 -8.514 85 3HB ALA 11 3HB ALA 11 3.121 -7.929 -9.339 86 H MET 12 H MET 12 6.284 -6.510 -8.311 87 HA MET 12 HA MET 12 5.558 -4.289 -9.858 88 1HB MET 12 1HB MET 12 8.158 -4.455 -8.353 89 2HB MET 12 2HB MET 12 7.186 -3.036 -8.660 90 1HG MET 12 1HG MET 12 6.471 -5.303 -6.834 91 2HG MET 12 2HG MET 12 7.027 -3.705 -6.349 92 1HE MET 12 1HE MET 12 5.892 -1.781 -8.022 93 2HE MET 12 2HE MET 12 4.168 -1.474 -7.806 94 3HE MET 12 3HE MET 12 5.251 -1.436 -6.415 95 H LYS 13 H LYS 13 8.587 -6.144 -9.834 96 HA LYS 13 HA LYS 13 9.968 -4.810 -11.814 97 1HB LYS 13 1HB LYS 13 10.725 -6.774 -10.334 98 2HB LYS 13 2HB LYS 13 10.022 -7.812 -11.567 99 1HG LYS 13 1HG LYS 13 11.563 -6.200 -13.094 100 2HG LYS 13 2HG LYS 13 12.504 -6.247 -11.602 101 1HD LYS 13 1HD LYS 13 13.143 -8.359 -11.959 102 2HD LYS 13 2HD LYS 13 11.504 -8.865 -12.374 103 1HE LYS 13 1HE LYS 13 11.791 -8.430 -14.616 104 2HE LYS 13 2HE LYS 13 13.062 -7.242 -14.330 105 1HZ LYS 13 1HZ LYS 13 13.594 -10.027 -13.603 106 2HZ LYS 13 2HZ LYS 13 13.600 -9.625 -15.245 107 3HZ LYS 13 3HZ LYS 13 14.653 -8.841 -14.178 108 H ARG 14 H ARG 14 7.681 -7.495 -12.145 109 HA ARG 14 HA ARG 14 7.829 -7.707 -14.944 110 1HB ARG 14 1HB ARG 14 6.607 -9.144 -12.997 111 2HB ARG 14 2HB ARG 14 5.224 -8.291 -13.669 112 1HG ARG 14 1HG ARG 14 6.411 -9.154 -15.934 113 2HG ARG 14 2HG ARG 14 6.860 -10.444 -14.817 114 1HD ARG 14 1HD ARG 14 4.156 -9.893 -14.317 115 2HD ARG 14 2HD ARG 14 4.328 -9.915 -16.071 116 HE ARG 14 HE ARG 14 4.829 -12.170 -15.979 117 1HH1 ARG 14 1HH1 ARG 14 4.679 -10.829 -12.767 118 2HH1 ARG 14 2HH1 ARG 14 4.675 -12.374 -11.983 119 1HH2 ARG 14 1HH2 ARG 14 4.824 -14.208 -14.956 120 2HH2 ARG 14 2HH2 ARG 14 4.758 -14.294 -13.227 121 H HIS 15 H HIS 15 5.770 -5.778 -12.794 122 HA HIS 15 HA HIS 15 4.192 -4.720 -14.908 123 1HB HIS 15 1HB HIS 15 4.437 -4.310 -11.976 124 2HB HIS 15 2HB HIS 15 3.691 -3.019 -12.911 125 HD1 HIS 15 HD1 HIS 15 2.402 -5.221 -10.824 126 HD2 HIS 15 HD2 HIS 15 1.923 -4.945 -14.942 127 HE1 HIS 15 HE1 HIS 15 0.236 -6.393 -11.328 128 HE2 HIS 15 HE2 HIS 15 0.011 -6.292 -13.836 129 H GLY 16 H GLY 16 7.392 -4.070 -14.086 130 1HA GLY 16 1HA GLY 16 7.377 -1.773 -15.757 131 2HA GLY 16 2HA GLY 16 8.767 -2.510 -14.991 132 H LEU 17 H LEU 17 7.376 -2.107 -12.225 133 HA LEU 17 HA LEU 17 7.436 0.788 -12.136 134 1HB LEU 17 1HB LEU 17 7.175 -0.938 -9.712 135 2HB LEU 17 2HB LEU 17 6.565 0.681 -9.973 136 HG LEU 17 HG LEU 17 5.351 -1.924 -10.594 137 1HD1 LEU 17 1HD1 LEU 17 4.727 0.098 -8.968 138 2HD1 LEU 17 2HD1 LEU 17 3.825 0.605 -10.397 139 3HD1 LEU 17 3HD1 LEU 17 3.511 -0.971 -9.670 140 1HD2 LEU 17 1HD2 LEU 17 5.323 0.341 -12.557 141 2HD2 LEU 17 2HD2 LEU 17 5.438 -1.395 -12.852 142 3HD2 LEU 17 3HD2 LEU 17 3.900 -0.683 -12.362 143 H ASP 18 H ASP 18 9.656 -1.590 -12.003 144 HA ASP 18 HA ASP 18 11.341 -0.592 -9.926 145 1HB ASP 18 1HB ASP 18 11.854 -2.786 -10.312 146 2HB ASP 18 2HB ASP 18 11.598 -2.662 -12.042 147 H ASN 19 H ASN 19 11.737 1.509 -10.179 148 HA ASN 19 HA ASN 19 12.792 3.400 -10.826 149 1HB ASN 19 1HB ASN 19 14.629 1.452 -11.279 150 2HB ASN 19 2HB ASN 19 14.462 2.108 -12.904 151 2HD2 ASN 19 2HD2 ASN 19 14.887 4.350 -13.226 152 1HD2 ASN 19 1HD2 ASN 19 15.958 5.195 -12.166 153 H TYR 20 H TYR 20 10.413 2.646 -12.069 154 HA TYR 20 HA TYR 20 10.521 3.152 -14.874 155 1HB TYR 20 1HB TYR 20 8.588 2.052 -13.691 156 2HB TYR 20 2HB TYR 20 8.192 3.615 -12.989 157 HD1 TYR 20 HD1 TYR 20 8.747 2.020 -16.322 158 HD2 TYR 20 HD2 TYR 20 6.651 4.958 -14.070 159 HE1 TYR 20 HE1 TYR 20 7.387 2.556 -18.299 160 HE2 TYR 20 HE2 TYR 20 5.285 5.502 -16.041 161 HH TYR 20 HH TYR 20 5.071 5.219 -18.270 162 H ARG 21 H ARG 21 9.433 5.212 -15.787 163 HA ARG 21 HA ARG 21 10.797 7.412 -15.612 164 1HB ARG 21 1HB ARG 21 8.386 6.966 -16.647 165 2HB ARG 21 2HB ARG 21 7.886 7.949 -15.277 166 1HG ARG 21 1HG ARG 21 8.283 9.720 -16.550 167 2HG ARG 21 2HG ARG 21 10.001 9.358 -16.370 168 1HD ARG 21 1HD ARG 21 8.643 7.776 -18.427 169 2HD ARG 21 2HD ARG 21 8.662 9.510 -18.746 170 HE ARG 21 HE ARG 21 10.984 9.437 -18.926 171 1HH1 ARG 21 1HH1 ARG 21 9.677 6.324 -18.064 172 2HH1 ARG 21 2HH1 ARG 21 11.135 5.466 -18.433 173 1HH2 ARG 21 1HH2 ARG 21 12.908 8.315 -19.416 174 2HH2 ARG 21 2HH2 ARG 21 12.971 6.598 -19.201 175 H GLY 22 H GLY 22 8.537 6.423 -13.130 176 1HA GLY 22 1HA GLY 22 8.038 7.321 -11.059 177 2HA GLY 22 2HA GLY 22 8.972 8.747 -11.485 178 H TYR 23 H TYR 23 8.975 5.710 -9.857 179 HA TYR 23 HA TYR 23 11.808 6.103 -9.183 180 1HB TYR 23 1HB TYR 23 9.483 5.753 -7.327 181 2HB TYR 23 2HB TYR 23 11.117 5.344 -6.819 182 HD1 TYR 23 HD1 TYR 23 9.078 8.133 -8.197 183 HD2 TYR 23 HD2 TYR 23 12.541 7.012 -5.996 184 HE1 TYR 23 HE1 TYR 23 9.474 10.493 -7.634 185 HE2 TYR 23 HE2 TYR 23 12.948 9.368 -5.426 186 HH TYR 23 HH TYR 23 12.377 11.615 -6.358 187 H SER 24 H SER 24 12.541 4.257 -7.637 188 HA SER 24 HA SER 24 12.384 1.857 -9.223 189 1HB SER 24 1HB SER 24 14.282 1.101 -7.970 190 2HB SER 24 2HB SER 24 14.542 2.799 -8.367 191 HG SER 24 HG SER 24 14.538 3.255 -6.318 192 H LEU 25 H LEU 25 12.394 -0.251 -8.098 193 HA LEU 25 HA LEU 25 10.019 -0.969 -7.070 194 1HB LEU 25 1HB LEU 25 12.705 -2.086 -7.131 195 2HB LEU 25 2HB LEU 25 11.757 -2.687 -5.783 196 HG LEU 25 HG LEU 25 10.501 -2.690 -8.469 197 1HD1 LEU 25 1HD1 LEU 25 12.824 -3.552 -8.783 198 2HD1 LEU 25 2HD1 LEU 25 12.453 -4.816 -7.610 199 3HD1 LEU 25 3HD1 LEU 25 11.555 -4.729 -9.125 200 1HD2 LEU 25 1HD2 LEU 25 10.433 -4.432 -6.016 201 2HD2 LEU 25 2HD2 LEU 25 9.145 -3.420 -6.669 202 3HD2 LEU 25 3HD2 LEU 25 9.647 -4.874 -7.531 203 H GLY 26 H GLY 26 12.887 -0.436 -4.993 204 1HA GLY 26 1HA GLY 26 13.031 0.437 -2.864 205 2HA GLY 26 2HA GLY 26 11.849 -0.815 -2.528 206 H ASN 27 H ASN 27 11.328 2.082 -4.484 207 HA ASN 27 HA ASN 27 10.055 3.557 -2.412 208 1HB ASN 27 1HB ASN 27 9.646 3.989 -5.367 209 2HB ASN 27 2HB ASN 27 9.538 5.177 -4.070 210 2HD2 ASN 27 2HD2 ASN 27 11.444 5.925 -3.096 211 1HD2 ASN 27 1HD2 ASN 27 12.973 5.788 -3.888 212 H TRP 28 H TRP 28 8.904 1.359 -4.894 213 HA TRP 28 HA TRP 28 6.132 1.920 -4.539 214 1HB TRP 28 1HB TRP 28 7.532 -0.465 -5.743 215 2HB TRP 28 2HB TRP 28 5.794 -0.167 -5.828 216 HD1 TRP 28 HD1 TRP 28 9.036 0.776 -7.434 217 HE1 TRP 28 HE1 TRP 28 8.622 2.479 -9.306 218 HE3 TRP 28 HE3 TRP 28 4.131 1.803 -6.497 219 HZ2 TRP 28 HZ2 TRP 28 6.474 4.042 -10.291 220 HZ3 TRP 28 HZ3 TRP 28 2.948 3.399 -7.944 221 HH2 TRP 28 HH2 TRP 28 4.101 4.501 -9.808 222 H VAL 29 H VAL 29 8.330 -0.549 -3.233 223 HA VAL 29 HA VAL 29 6.328 -1.977 -1.850 224 HB VAL 29 HB VAL 29 9.290 -1.808 -1.279 225 1HG1 VAL 29 1HG1 VAL 29 8.022 -2.715 0.600 226 2HG1 VAL 29 2HG1 VAL 29 7.276 -3.900 -0.471 227 3HG1 VAL 29 3HG1 VAL 29 9.012 -3.959 -0.164 228 1HG2 VAL 29 1HG2 VAL 29 8.762 -2.507 -3.585 229 2HG2 VAL 29 2HG2 VAL 29 9.522 -3.790 -2.643 230 3HG2 VAL 29 3HG2 VAL 29 7.784 -3.825 -2.939 231 H CYS 30 H CYS 30 8.680 0.455 -0.817 232 HA CYS 30 HA CYS 30 7.984 0.568 1.870 233 1HB CYS 30 1HB CYS 30 9.937 1.670 0.590 234 2HB CYS 30 2HB CYS 30 8.814 2.992 0.298 235 H ALA 31 H ALA 31 6.764 2.524 -0.845 236 HA ALA 31 HA ALA 31 4.982 4.090 0.663 237 1HB ALA 31 1HB ALA 31 5.064 3.379 -2.257 238 2HB ALA 31 2HB ALA 31 3.875 4.486 -1.574 239 3HB ALA 31 3HB ALA 31 5.593 4.870 -1.480 240 H ALA 32 H ALA 32 4.456 1.096 -1.180 241 HA ALA 32 HA ALA 32 1.672 0.957 -0.679 242 1HB ALA 32 1HB ALA 32 2.195 -0.341 -2.468 243 2HB ALA 32 2HB ALA 32 2.215 -1.585 -1.216 244 3HB ALA 32 3HB ALA 32 3.728 -0.873 -1.777 245 H LYS 33 H LYS 33 4.429 -0.722 0.829 246 HA LYS 33 HA LYS 33 3.165 -2.365 2.586 247 1HB LYS 33 1HB LYS 33 5.627 -2.187 2.252 248 2HB LYS 33 2HB LYS 33 5.618 -0.726 3.230 249 1HG LYS 33 1HG LYS 33 4.310 -2.886 4.612 250 2HG LYS 33 2HG LYS 33 5.938 -3.346 4.110 251 1HD LYS 33 1HD LYS 33 6.800 -1.270 5.148 252 2HD LYS 33 2HD LYS 33 5.170 -0.916 5.725 253 1HE LYS 33 1HE LYS 33 5.849 -3.588 6.456 254 2HE LYS 33 2HE LYS 33 7.159 -2.514 6.948 255 1HZ LYS 33 1HZ LYS 33 4.653 -1.359 7.574 256 2HZ LYS 33 2HZ LYS 33 4.747 -2.914 8.236 257 3HZ LYS 33 3HZ LYS 33 5.927 -1.762 8.611 258 H PHE 34 H PHE 34 4.189 0.967 3.345 259 HA PHE 34 HA PHE 34 2.776 0.925 5.807 260 1HB PHE 34 1HB PHE 34 4.402 2.853 4.366 261 2HB PHE 34 2HB PHE 34 3.260 3.532 5.508 262 HD1 PHE 34 HD1 PHE 34 3.267 2.171 7.842 263 HD2 PHE 34 HD2 PHE 34 6.526 2.482 5.123 264 HE1 PHE 34 HE1 PHE 34 4.836 1.685 9.674 265 HE2 PHE 34 HE2 PHE 34 8.101 1.997 6.950 266 HZ PHE 34 HZ PHE 34 7.256 1.599 9.229 267 H GLU 35 H GLU 35 1.865 1.691 2.599 268 HA GLU 35 HA GLU 35 -0.205 3.515 3.140 269 1HB GLU 35 1HB GLU 35 0.923 2.174 0.896 270 2HB GLU 35 2HB GLU 35 -0.818 1.933 0.851 271 1HG GLU 35 1HG GLU 35 -1.261 4.179 0.605 272 2HG GLU 35 2HG GLU 35 0.276 4.667 1.320 273 H SER 36 H SER 36 -0.338 0.038 2.416 274 HA SER 36 HA SER 36 -2.885 -0.102 3.901 275 1HB SER 36 1HB SER 36 -3.606 -1.777 2.115 276 2HB SER 36 2HB SER 36 -3.515 -0.094 1.599 277 HG SER 36 HG SER 36 -1.136 -1.092 1.195 278 H ASN 37 H ASN 37 0.134 -1.075 4.132 279 HA ASN 37 HA ASN 37 1.212 -2.860 5.076 280 1HB ASN 37 1HB ASN 37 -1.613 -3.392 6.005 281 2HB ASN 37 2HB ASN 37 -0.270 -4.439 6.451 282 2HD2 ASN 37 2HD2 ASN 37 0.303 -4.043 8.454 283 1HD2 ASN 37 1HD2 ASN 37 0.469 -2.483 9.179 284 H PHE 38 H PHE 38 0.189 -2.900 2.388 285 HA PHE 38 HA PHE 38 0.235 -4.179 0.576 286 1HB PHE 38 1HB PHE 38 1.080 -6.299 2.546 287 2HB PHE 38 2HB PHE 38 0.958 -6.586 0.812 288 HD1 PHE 38 HD1 PHE 38 1.967 -4.057 -0.275 289 HD2 PHE 38 HD2 PHE 38 3.361 -6.389 2.999 290 HE1 PHE 38 HE1 PHE 38 4.222 -3.134 -0.591 291 HE2 PHE 38 HE2 PHE 38 5.620 -5.467 2.692 292 HZ PHE 38 HZ PHE 38 6.056 -3.845 0.894 293 H ASN 39 H ASN 39 -2.163 -3.852 2.346 294 HA ASN 39 HA ASN 39 -3.706 -6.245 1.833 295 1HB ASN 39 1HB ASN 39 -4.065 -4.854 3.879 296 2HB ASN 39 2HB ASN 39 -4.651 -3.554 2.846 297 2HD2 ASN 39 2HD2 ASN 39 -6.485 -3.963 4.421 298 1HD2 ASN 39 1HD2 ASN 39 -7.707 -5.069 3.902 299 H THR 40 H THR 40 -4.303 -6.625 -0.173 300 HA THR 40 HA THR 40 -4.489 -4.624 -2.178 301 HB THR 40 HB THR 40 -4.745 -6.347 -3.667 302 HG1 THR 40 HG1 THR 40 -6.760 -7.106 -3.130 303 1HG2 THR 40 1HG2 THR 40 -2.973 -6.868 -1.733 304 2HG2 THR 40 2HG2 THR 40 -4.003 -8.289 -1.568 305 3HG2 THR 40 3HG2 THR 40 -3.230 -7.937 -3.111 306 H GLN 41 H GLN 41 -6.602 -5.893 0.140 307 HA GLN 41 HA GLN 41 -8.981 -4.882 -1.233 308 1HB GLN 41 1HB GLN 41 -8.417 -6.974 0.781 309 2HB GLN 41 2HB GLN 41 -9.931 -6.121 0.949 310 1HG GLN 41 1HG GLN 41 -9.534 -6.888 -1.784 311 2HG GLN 41 2HG GLN 41 -9.357 -8.283 -0.720 312 2HE2 GLN 41 2HE2 GLN 41 -11.494 -6.847 -2.597 313 1HE2 GLN 41 1HE2 GLN 41 -12.962 -7.162 -1.741 314 H ALA 42 H ALA 42 -6.727 -3.641 0.710 315 HA ALA 42 HA ALA 42 -8.153 -2.569 2.890 316 1HB ALA 42 1HB ALA 42 -5.515 -2.173 1.670 317 2HB ALA 42 2HB ALA 42 -5.974 -2.348 3.364 318 3HB ALA 42 3HB ALA 42 -6.150 -0.788 2.559 319 H THR 43 H THR 43 -9.466 -0.916 3.089 320 HA THR 43 HA THR 43 -9.627 1.090 0.932 321 HB THR 43 HB THR 43 -11.950 1.106 0.962 322 HG1 THR 43 HG1 THR 43 -12.529 1.271 3.052 323 1HG2 THR 43 1HG2 THR 43 -11.062 -1.056 0.082 324 2HG2 THR 43 2HG2 THR 43 -11.384 -1.776 1.659 325 3HG2 THR 43 3HG2 THR 43 -12.716 -1.155 0.683 326 H ASN 44 H ASN 44 -9.663 3.228 1.643 327 HA ASN 44 HA ASN 44 -10.083 3.719 4.499 328 1HB ASN 44 1HB ASN 44 -7.520 3.710 3.254 329 2HB ASN 44 2HB ASN 44 -7.916 5.375 3.671 330 2HD2 ASN 44 2HD2 ASN 44 -7.605 2.117 4.944 331 1HD2 ASN 44 1HD2 ASN 44 -7.293 2.585 6.577 332 H ARG 45 H ARG 45 -11.827 5.004 4.371 333 HA ARG 45 HA ARG 45 -12.184 6.928 2.277 334 1HB ARG 45 1HB ARG 45 -14.203 7.586 3.596 335 2HB ARG 45 2HB ARG 45 -14.140 5.880 3.180 336 1HG ARG 45 1HG ARG 45 -13.059 5.622 5.531 337 2HG ARG 45 2HG ARG 45 -13.803 7.193 5.835 338 1HD ARG 45 1HD ARG 45 -15.929 6.035 4.835 339 2HD ARG 45 2HD ARG 45 -15.085 4.555 5.286 340 HE ARG 45 HE ARG 45 -15.261 6.524 7.388 341 1HH1 ARG 45 1HH1 ARG 45 -16.775 3.783 5.857 342 2HH1 ARG 45 2HH1 ARG 45 -17.700 3.350 7.255 343 1HH2 ARG 45 1HH2 ARG 45 -16.476 5.960 9.233 344 2HH2 ARG 45 2HH2 ARG 45 -17.530 4.587 9.174 345 H ASN 46 H ASN 46 -11.929 9.106 2.319 346 HA ASN 46 HA ASN 46 -10.581 10.228 4.684 347 1HB ASN 46 1HB ASN 46 -10.479 11.444 1.938 348 2HB ASN 46 2HB ASN 46 -9.361 11.661 3.280 349 2HD2 ASN 46 2HD2 ASN 46 -9.990 10.008 0.429 350 1HD2 ASN 46 1HD2 ASN 46 -8.740 8.820 0.541 351 H THR 47 H THR 47 -10.828 12.764 4.616 352 HA THR 47 HA THR 47 -13.684 13.248 4.869 353 HB THR 47 HB THR 47 -12.975 15.418 5.895 354 HG1 THR 47 HG1 THR 47 -10.954 15.700 4.948 355 1HG2 THR 47 1HG2 THR 47 -13.343 13.268 7.177 356 2HG2 THR 47 2HG2 THR 47 -11.591 13.069 7.180 357 3HG2 THR 47 3HG2 THR 47 -12.322 14.466 7.970 358 H ASP 48 H ASP 48 -11.069 14.074 2.752 359 HA ASP 48 HA ASP 48 -12.086 16.450 1.642 360 1HB ASP 48 1HB ASP 48 -10.628 15.883 -0.318 361 2HB ASP 48 2HB ASP 48 -9.799 15.847 1.235 362 H GLY 49 H GLY 49 -13.182 13.248 1.401 363 1HA GLY 49 1HA GLY 49 -15.022 14.054 -0.757 364 2HA GLY 49 2HA GLY 49 -15.371 12.845 0.469 365 H SER 50 H SER 50 -12.866 11.458 0.259 366 HA SER 50 HA SER 50 -13.442 9.961 -2.175 367 1HB SER 50 1HB SER 50 -10.775 9.823 -2.355 368 2HB SER 50 2HB SER 50 -11.711 11.066 -3.185 369 HG SER 50 HG SER 50 -10.234 11.273 -0.785 370 H THR 51 H THR 51 -11.263 8.222 -2.060 371 HA THR 51 HA THR 51 -10.987 7.145 0.588 372 HB THR 51 HB THR 51 -12.425 5.382 -1.386 373 HG1 THR 51 HG1 THR 51 -14.253 6.282 -0.836 374 1HG2 THR 51 1HG2 THR 51 -11.123 4.844 0.992 375 2HG2 THR 51 2HG2 THR 51 -12.821 4.933 1.460 376 3HG2 THR 51 3HG2 THR 51 -12.312 3.809 0.201 377 H ASP 52 H ASP 52 -9.682 5.102 0.552 378 HA ASP 52 HA ASP 52 -7.939 5.018 -1.824 379 1HB ASP 52 1HB ASP 52 -7.264 4.528 1.086 380 2HB ASP 52 2HB ASP 52 -6.157 4.237 -0.252 381 H TYR 53 H TYR 53 -9.038 3.407 -2.892 382 HA TYR 53 HA TYR 53 -9.429 0.880 -1.476 383 1HB TYR 53 1HB TYR 53 -10.366 1.706 -4.228 384 2HB TYR 53 2HB TYR 53 -10.758 0.200 -3.412 385 HD1 TYR 53 HD1 TYR 53 -11.894 0.512 -1.034 386 HD2 TYR 53 HD2 TYR 53 -11.903 3.420 -4.140 387 HE1 TYR 53 HE1 TYR 53 -13.902 1.541 -0.058 388 HE2 TYR 53 HE2 TYR 53 -13.908 4.460 -3.169 389 HH TYR 53 HH TYR 53 -14.917 4.090 -0.194 390 H GLY 54 H GLY 54 -7.037 0.487 -1.477 391 1HA GLY 54 1HA GLY 54 -5.755 0.050 -3.995 392 2HA GLY 54 2HA GLY 54 -6.332 -1.458 -3.311 393 H ILE 55 H ILE 55 -4.045 -2.010 -3.414 394 HA ILE 55 HA ILE 55 -2.798 -1.767 -0.862 395 HB ILE 55 HB ILE 55 -2.444 -3.718 -2.421 396 1HG1 ILE 55 1HG1 ILE 55 0.077 -2.248 -1.607 397 2HG1 ILE 55 2HG1 ILE 55 -0.906 -3.246 -0.540 398 1HG2 ILE 55 1HG2 ILE 55 -1.766 -1.666 -4.228 399 2HG2 ILE 55 2HG2 ILE 55 -0.299 -2.603 -3.950 400 3HG2 ILE 55 3HG2 ILE 55 -1.765 -3.407 -4.512 401 1HD1 ILE 55 1HD1 ILE 55 -0.151 -4.700 -2.907 402 2HD1 ILE 55 2HD1 ILE 55 1.260 -4.053 -2.072 403 3HD1 ILE 55 3HD1 ILE 55 0.122 -5.087 -1.208 404 H LEU 56 H LEU 56 -2.847 0.009 -3.770 405 HA LEU 56 HA LEU 56 -0.632 1.726 -2.886 406 1HB LEU 56 1HB LEU 56 -1.222 0.602 -5.432 407 2HB LEU 56 2HB LEU 56 -1.492 2.330 -5.554 408 HG LEU 56 HG LEU 56 0.740 2.050 -6.223 409 1HD1 LEU 56 1HD1 LEU 56 0.356 3.771 -4.415 410 2HD1 LEU 56 2HD1 LEU 56 1.057 2.612 -3.285 411 3HD1 LEU 56 3HD1 LEU 56 2.020 3.226 -4.630 412 1HD2 LEU 56 1HD2 LEU 56 0.666 -0.344 -5.039 413 2HD2 LEU 56 2HD2 LEU 56 2.172 0.441 -5.517 414 3HD2 LEU 56 3HD2 LEU 56 1.625 0.526 -3.842 415 H GLN 57 H GLN 57 -3.796 1.460 -2.541 416 HA GLN 57 HA GLN 57 -5.446 2.867 -1.944 417 1HB GLN 57 1HB GLN 57 -3.358 5.021 -2.303 418 2HB GLN 57 2HB GLN 57 -4.938 5.255 -1.568 419 1HG GLN 57 1HG GLN 57 -4.240 3.444 0.088 420 2HG GLN 57 2HG GLN 57 -2.606 3.684 -0.533 421 2HE2 GLN 57 2HE2 GLN 57 -2.238 6.243 -0.793 422 1HE2 GLN 57 1HE2 GLN 57 -2.504 7.110 0.679 423 H ILE 58 H ILE 58 -6.337 2.124 -4.109 424 HA ILE 58 HA ILE 58 -6.132 4.088 -6.224 425 HB ILE 58 HB ILE 58 -7.980 1.713 -6.186 426 1HG1 ILE 58 1HG1 ILE 58 -5.854 0.760 -5.684 427 2HG1 ILE 58 2HG1 ILE 58 -6.104 0.525 -7.410 428 1HG2 ILE 58 1HG2 ILE 58 -8.171 3.526 -7.935 429 2HG2 ILE 58 2HG2 ILE 58 -6.588 3.010 -8.515 430 3HG2 ILE 58 3HG2 ILE 58 -7.946 1.885 -8.542 431 1HD1 ILE 58 1HD1 ILE 58 -4.680 2.510 -7.829 432 2HD1 ILE 58 2HD1 ILE 58 -4.355 2.590 -6.097 433 3HD1 ILE 58 3HD1 ILE 58 -3.838 1.184 -7.027 434 H ASN 59 H ASN 59 -7.119 5.937 -5.515 435 HA ASN 59 HA ASN 59 -9.598 5.985 -4.169 436 1HB ASN 59 1HB ASN 59 -7.990 7.860 -4.109 437 2HB ASN 59 2HB ASN 59 -8.277 8.154 -5.821 438 2HD2 ASN 59 2HD2 ASN 59 -8.816 10.308 -5.011 439 1HD2 ASN 59 1HD2 ASN 59 -10.430 10.608 -4.472 440 H SER 60 H SER 60 -11.206 4.877 -5.183 441 HA SER 60 HA SER 60 -11.662 4.820 -7.946 442 1HB SER 60 1HB SER 60 -13.652 3.674 -7.455 443 2HB SER 60 2HB SER 60 -12.607 3.295 -6.086 444 HG SER 60 HG SER 60 -13.685 5.221 -5.093 445 H ARG 61 H ARG 61 -12.024 7.396 -5.825 446 HA ARG 61 HA ARG 61 -14.292 8.591 -7.195 447 1HB ARG 61 1HB ARG 61 -13.593 8.775 -4.648 448 2HB ARG 61 2HB ARG 61 -12.606 10.101 -5.246 449 1HG ARG 61 1HG ARG 61 -15.408 10.104 -6.142 450 2HG ARG 61 2HG ARG 61 -15.152 10.366 -4.415 451 1HD ARG 61 1HD ARG 61 -13.540 12.163 -4.975 452 2HD ARG 61 2HD ARG 61 -13.930 11.939 -6.679 453 HE ARG 61 HE ARG 61 -16.343 12.409 -5.674 454 1HH1 ARG 61 1HH1 ARG 61 -13.309 14.024 -5.098 455 2HH1 ARG 61 2HH1 ARG 61 -14.041 15.562 -4.781 456 1HH2 ARG 61 1HH2 ARG 61 -17.315 14.430 -5.259 457 2HH2 ARG 61 2HH2 ARG 61 -16.317 15.792 -4.872 458 H TRP 62 H TRP 62 -10.837 9.295 -6.707 459 HA TRP 62 HA TRP 62 -10.918 11.372 -8.735 460 1HB TRP 62 1HB TRP 62 -9.005 10.491 -6.657 461 2HB TRP 62 2HB TRP 62 -8.286 11.138 -8.129 462 HD1 TRP 62 HD1 TRP 62 -10.942 12.219 -5.508 463 HE1 TRP 62 HE1 TRP 62 -10.782 14.773 -5.233 464 HE3 TRP 62 HE3 TRP 62 -7.364 13.194 -9.028 465 HZ2 TRP 62 HZ2 TRP 62 -9.332 16.918 -6.359 466 HZ3 TRP 62 HZ3 TRP 62 -6.646 15.523 -9.367 467 HH2 TRP 62 HH2 TRP 62 -7.612 17.346 -8.059 468 H TRP 63 H TRP 63 -10.497 8.049 -8.638 469 HA TRP 63 HA TRP 63 -9.419 8.057 -11.361 470 1HB TRP 63 1HB TRP 63 -8.429 6.105 -9.268 471 2HB TRP 63 2HB TRP 63 -7.867 6.270 -10.927 472 HD1 TRP 63 HD1 TRP 63 -6.808 7.130 -7.566 473 HE1 TRP 63 HE1 TRP 63 -5.063 9.027 -7.595 474 HE3 TRP 63 HE3 TRP 63 -7.488 8.750 -12.338 475 HZ2 TRP 63 HZ2 TRP 63 -4.107 10.967 -9.429 476 HZ3 TRP 63 HZ3 TRP 63 -6.160 10.624 -13.164 477 HH2 TRP 63 HH2 TRP 63 -4.485 11.717 -11.744 478 H CYS 64 H CYS 64 -9.845 6.083 -12.508 479 HA CYS 64 HA CYS 64 -11.309 4.584 -13.344 480 1HB CYS 64 1HB CYS 64 -11.385 2.597 -12.159 481 2HB CYS 64 2HB CYS 64 -10.017 3.406 -11.408 482 H ASN 65 H ASN 65 -13.406 3.897 -13.619 483 HA ASN 65 HA ASN 65 -15.386 5.608 -12.311 484 1HB ASN 65 1HB ASN 65 -15.348 5.495 -14.788 485 2HB ASN 65 2HB ASN 65 -15.689 3.769 -14.699 486 2HD2 ASN 65 2HD2 ASN 65 -16.954 6.893 -13.613 487 1HD2 ASN 65 1HD2 ASN 65 -18.621 6.472 -13.782 488 H ASP 66 H ASP 66 -16.153 4.785 -10.468 489 HA ASP 66 HA ASP 66 -16.529 1.898 -10.220 490 1HB ASP 66 1HB ASP 66 -16.734 2.265 -7.854 491 2HB ASP 66 2HB ASP 66 -15.346 3.183 -8.430 492 H GLY 67 H GLY 67 -18.347 4.757 -10.770 493 1HA GLY 67 1HA GLY 67 -20.756 3.274 -11.111 494 2HA GLY 67 2HA GLY 67 -20.585 5.018 -11.227 495 H ARG 68 H ARG 68 -19.402 3.832 -8.291 496 HA ARG 68 HA ARG 68 -21.942 3.890 -6.903 497 1HB ARG 68 1HB ARG 68 -19.144 3.654 -5.779 498 2HB ARG 68 2HB ARG 68 -20.644 3.346 -4.913 499 1HG ARG 68 1HG ARG 68 -20.198 1.795 -7.388 500 2HG ARG 68 2HG ARG 68 -19.169 1.414 -6.006 501 1HD ARG 68 1HD ARG 68 -20.935 0.007 -5.613 502 2HD ARG 68 2HD ARG 68 -21.450 1.430 -4.708 503 HE ARG 68 HE ARG 68 -22.366 1.223 -7.461 504 1HH1 ARG 68 1HH1 ARG 68 -23.059 0.800 -4.072 505 2HH1 ARG 68 2HH1 ARG 68 -24.777 0.786 -4.294 506 1HH2 ARG 68 1HH2 ARG 68 -24.626 1.204 -7.762 507 2HH2 ARG 68 2HH2 ARG 68 -25.667 1.014 -6.390 508 H THR 69 H THR 69 -20.005 6.229 -8.078 509 HA THR 69 HA THR 69 -20.979 8.166 -6.121 510 HB THR 69 HB THR 69 -18.170 8.536 -7.056 511 HG1 THR 69 HG1 THR 69 -17.374 7.208 -5.482 512 1HG2 THR 69 1HG2 THR 69 -19.970 9.590 -4.999 513 2HG2 THR 69 2HG2 THR 69 -18.340 9.249 -4.420 514 3HG2 THR 69 3HG2 THR 69 -18.580 10.343 -5.782 515 HA PRO 70 HA PRO 70 -21.912 10.216 -9.967 516 1HB PRO 70 1HB PRO 70 -22.783 12.564 -8.927 517 2HB PRO 70 2HB PRO 70 -23.750 11.085 -8.891 518 1HG PRO 70 1HG PRO 70 -22.067 12.300 -6.733 519 2HG PRO 70 2HG PRO 70 -23.688 11.589 -6.621 520 1HD PRO 70 1HD PRO 70 -21.453 10.244 -5.893 521 2HD PRO 70 2HD PRO 70 -22.876 9.432 -6.576 522 H GLY 71 H GLY 71 -19.418 10.938 -7.855 523 1HA GLY 71 1HA GLY 71 -17.887 12.771 -7.835 524 2HA GLY 71 2HA GLY 71 -18.535 13.287 -9.385 525 H SER 72 H SER 72 -18.188 10.010 -9.539 526 HA SER 72 HA SER 72 -15.503 9.470 -9.798 527 1HB SER 72 1HB SER 72 -17.828 8.080 -10.276 528 2HB SER 72 2HB SER 72 -17.126 8.203 -11.889 529 HG SER 72 HG SER 72 -15.626 7.358 -9.645 530 H ARG 73 H ARG 73 -14.112 10.762 -10.823 531 HA ARG 73 HA ARG 73 -14.734 12.240 -13.168 532 1HB ARG 73 1HB ARG 73 -12.340 11.787 -11.485 533 2HB ARG 73 2HB ARG 73 -12.037 12.273 -13.148 534 1HG ARG 73 1HG ARG 73 -14.055 13.833 -11.658 535 2HG ARG 73 2HG ARG 73 -12.373 14.012 -11.155 536 1HD ARG 73 1HD ARG 73 -11.798 14.460 -13.551 537 2HD ARG 73 2HD ARG 73 -13.527 14.488 -13.897 538 HE ARG 73 HE ARG 73 -13.483 16.325 -12.057 539 1HH1 ARG 73 1HH1 ARG 73 -11.075 15.767 -14.515 540 2HH1 ARG 73 2HH1 ARG 73 -10.581 17.426 -14.588 541 1HH2 ARG 73 1HH2 ARG 73 -12.838 18.510 -12.148 542 2HH2 ARG 73 2HH2 ARG 73 -11.582 18.984 -13.242 543 H ASN 74 H ASN 74 -13.004 9.219 -12.576 544 HA ASN 74 HA ASN 74 -12.475 7.465 -13.947 545 1HB ASN 74 1HB ASN 74 -14.815 8.013 -14.899 546 2HB ASN 74 2HB ASN 74 -13.954 8.826 -16.203 547 2HD2 ASN 74 2HD2 ASN 74 -12.966 5.910 -14.503 548 1HD2 ASN 74 1HD2 ASN 74 -13.065 4.859 -15.871 549 H LEU 75 H LEU 75 -10.790 9.659 -13.602 550 HA LEU 75 HA LEU 75 -9.615 10.738 -15.893 551 1HB LEU 75 1HB LEU 75 -8.948 10.222 -13.075 552 2HB LEU 75 2HB LEU 75 -7.581 10.455 -14.136 553 HG LEU 75 HG LEU 75 -9.894 12.389 -13.801 554 1HD1 LEU 75 1HD1 LEU 75 -8.507 12.116 -11.753 555 2HD1 LEU 75 2HD1 LEU 75 -7.108 12.648 -12.686 556 3HD1 LEU 75 3HD1 LEU 75 -8.470 13.741 -12.437 557 1HD2 LEU 75 1HD2 LEU 75 -8.097 12.208 -15.875 558 2HD2 LEU 75 2HD2 LEU 75 -9.007 13.648 -15.421 559 3HD2 LEU 75 3HD2 LEU 75 -7.364 13.418 -14.822 560 H CYS 76 H CYS 76 -8.834 8.050 -13.920 561 HA CYS 76 HA CYS 76 -6.661 7.057 -15.431 562 1HB CYS 76 1HB CYS 76 -7.705 6.727 -12.948 563 2HB CYS 76 2HB CYS 76 -8.137 5.208 -13.723 564 H ASN 77 H ASN 77 -10.097 6.513 -15.349 565 HA ASN 77 HA ASN 77 -11.539 5.304 -16.646 566 1HB ASN 77 1HB ASN 77 -10.477 6.737 -18.411 567 2HB ASN 77 2HB ASN 77 -9.330 5.436 -18.714 568 2HD2 ASN 77 2HD2 ASN 77 -12.736 5.056 -17.951 569 1HD2 ASN 77 1HD2 ASN 77 -13.194 4.386 -19.475 570 H ILE 78 H ILE 78 -10.355 3.798 -14.857 571 HA ILE 78 HA ILE 78 -9.657 1.343 -16.297 572 HB ILE 78 HB ILE 78 -7.876 0.902 -14.997 573 1HG1 ILE 78 1HG1 ILE 78 -9.628 1.917 -12.819 574 2HG1 ILE 78 2HG1 ILE 78 -8.666 0.447 -12.893 575 1HG2 ILE 78 1HG2 ILE 78 -7.468 3.125 -15.898 576 2HG2 ILE 78 2HG2 ILE 78 -8.172 3.849 -14.453 577 3HG2 ILE 78 3HG2 ILE 78 -6.676 2.922 -14.334 578 1HD1 ILE 78 1HD1 ILE 78 -6.641 1.928 -12.569 579 2HD1 ILE 78 2HD1 ILE 78 -7.777 3.219 -12.178 580 3HD1 ILE 78 3HD1 ILE 78 -7.728 1.757 -11.190 581 HA PRO 79 HA PRO 79 -12.839 -0.589 -13.881 582 1HB PRO 79 1HB PRO 79 -11.525 -3.146 -13.835 583 2HB PRO 79 2HB PRO 79 -12.831 -2.621 -14.896 584 1HG PRO 79 1HG PRO 79 -10.262 -3.174 -15.732 585 2HG PRO 79 2HG PRO 79 -11.405 -2.139 -16.605 586 1HD PRO 79 1HD PRO 79 -9.132 -1.375 -14.821 587 2HD PRO 79 2HD PRO 79 -9.707 -0.601 -16.314 588 H CYS 80 H CYS 80 -12.893 0.015 -11.777 589 HA CYS 80 HA CYS 80 -10.747 -0.071 -10.005 590 1HB CYS 80 1HB CYS 80 -13.571 -0.223 -9.018 591 2HB CYS 80 2HB CYS 80 -12.222 0.722 -8.395 592 H SER 81 H SER 81 -13.615 -2.218 -9.974 593 HA SER 81 HA SER 81 -12.733 -3.952 -8.001 594 1HB SER 81 1HB SER 81 -14.257 -5.645 -9.167 595 2HB SER 81 2HB SER 81 -14.995 -4.123 -8.669 596 HG SER 81 HG SER 81 -14.845 -3.402 -10.798 597 H ALA 82 H ALA 82 -11.632 -3.695 -11.272 598 HA ALA 82 HA ALA 82 -10.628 -6.338 -11.566 599 1HB ALA 82 1HB ALA 82 -11.048 -4.897 -13.488 600 2HB ALA 82 2HB ALA 82 -9.373 -5.451 -13.463 601 3HB ALA 82 3HB ALA 82 -9.767 -3.807 -12.959 602 H LEU 83 H LEU 83 -9.681 -3.881 -9.555 603 HA LEU 83 HA LEU 83 -6.872 -4.751 -9.504 604 1HB LEU 83 1HB LEU 83 -6.262 -2.702 -8.680 605 2HB LEU 83 2HB LEU 83 -7.641 -2.253 -9.662 606 HG LEU 83 HG LEU 83 -8.835 -2.695 -7.249 607 1HD1 LEU 83 1HD1 LEU 83 -6.538 -3.016 -6.269 608 2HD1 LEU 83 2HD1 LEU 83 -6.241 -1.313 -6.612 609 3HD1 LEU 83 3HD1 LEU 83 -7.529 -1.777 -5.501 610 1HD2 LEU 83 1HD2 LEU 83 -7.974 -0.392 -8.833 611 2HD2 LEU 83 2HD2 LEU 83 -9.533 -0.739 -8.087 612 3HD2 LEU 83 3HD2 LEU 83 -8.232 -0.036 -7.126 613 H LEU 84 H LEU 84 -9.806 -5.176 -7.931 614 HA LEU 84 HA LEU 84 -8.511 -5.872 -5.392 615 1HB LEU 84 1HB LEU 84 -11.469 -5.796 -5.713 616 2HB LEU 84 2HB LEU 84 -10.486 -5.391 -4.318 617 HG LEU 84 HG LEU 84 -10.325 -3.653 -6.733 618 1HD1 LEU 84 1HD1 LEU 84 -12.767 -4.127 -6.111 619 2HD1 LEU 84 2HD1 LEU 84 -12.429 -3.193 -4.653 620 3HD1 LEU 84 3HD1 LEU 84 -12.251 -2.446 -6.239 621 1HD2 LEU 84 1HD2 LEU 84 -8.856 -3.426 -4.693 622 2HD2 LEU 84 2HD2 LEU 84 -9.735 -1.976 -5.177 623 3HD2 LEU 84 3HD2 LEU 84 -10.304 -2.938 -3.813 624 H SER 85 H SER 85 -8.203 -7.594 -7.591 625 HA SER 85 HA SER 85 -9.728 -9.915 -6.643 626 1HB SER 85 1HB SER 85 -9.503 -8.870 -9.365 627 2HB SER 85 2HB SER 85 -9.066 -10.573 -9.250 628 HG SER 85 HG SER 85 -11.145 -10.659 -7.947 629 H SER 86 H SER 86 -7.300 -9.004 -5.739 630 HA SER 86 HA SER 86 -5.293 -9.821 -5.015 631 1HB SER 86 1HB SER 86 -6.544 -12.059 -5.087 632 2HB SER 86 2HB SER 86 -5.797 -12.306 -6.665 633 HG SER 86 HG SER 86 -3.911 -11.553 -4.945 634 H ASP 87 H ASP 87 -5.928 -8.461 -7.534 635 HA ASP 87 HA ASP 87 -3.465 -9.027 -9.034 636 1HB ASP 87 1HB ASP 87 -5.689 -9.651 -10.073 637 2HB ASP 87 2HB ASP 87 -6.049 -7.932 -10.117 638 H ILE 88 H ILE 88 -2.048 -7.368 -8.866 639 HA ILE 88 HA ILE 88 -3.000 -4.748 -8.070 640 HB ILE 88 HB ILE 88 -0.399 -4.293 -8.421 641 1HG1 ILE 88 1HG1 ILE 88 -0.317 -7.168 -7.562 642 2HG1 ILE 88 2HG1 ILE 88 -0.245 -6.752 -9.271 643 1HG2 ILE 88 1HG2 ILE 88 -2.048 -5.222 -6.202 644 2HG2 ILE 88 2HG2 ILE 88 -0.321 -5.499 -5.974 645 3HG2 ILE 88 3HG2 ILE 88 -0.918 -3.870 -6.294 646 1HD1 ILE 88 1HD1 ILE 88 1.606 -5.180 -7.700 647 2HD1 ILE 88 2HD1 ILE 88 1.880 -6.913 -7.521 648 3HD1 ILE 88 3HD1 ILE 88 1.893 -6.180 -9.125 649 H THR 89 H THR 89 -2.628 -6.341 -10.966 650 HA THR 89 HA THR 89 -1.353 -4.648 -12.690 651 HB THR 89 HB THR 89 -3.985 -5.936 -13.399 652 HG1 THR 89 HG1 THR 89 -1.510 -7.272 -13.627 653 1HG2 THR 89 1HG2 THR 89 -1.905 -4.606 -14.864 654 2HG2 THR 89 2HG2 THR 89 -2.019 -6.288 -15.381 655 3HG2 THR 89 3HG2 THR 89 -3.441 -5.246 -15.446 656 H ALA 90 H ALA 90 -4.837 -4.471 -11.887 657 HA ALA 90 HA ALA 90 -5.306 -2.143 -13.321 658 1HB ALA 90 1HB ALA 90 -6.786 -3.803 -11.438 659 2HB ALA 90 2HB ALA 90 -7.264 -2.105 -11.441 660 3HB ALA 90 3HB ALA 90 -7.312 -3.038 -12.937 661 H SER 91 H SER 91 -4.644 -2.623 -9.861 662 HA SER 91 HA SER 91 -4.906 0.074 -9.090 663 1HB SER 91 1HB SER 91 -2.930 -1.230 -7.477 664 2HB SER 91 2HB SER 91 -4.599 -0.836 -7.065 665 HG SER 91 HG SER 91 -4.565 -2.994 -6.940 666 H VAL 92 H VAL 92 -2.223 -1.751 -10.347 667 HA VAL 92 HA VAL 92 -0.335 0.343 -9.883 668 HB VAL 92 HB VAL 92 -0.109 -2.125 -11.601 669 1HG1 VAL 92 1HG1 VAL 92 1.837 0.137 -11.162 670 2HG1 VAL 92 2HG1 VAL 92 2.357 -1.469 -11.674 671 3HG1 VAL 92 3HG1 VAL 92 1.264 -0.529 -12.690 672 1HG2 VAL 92 1HG2 VAL 92 1.005 -1.319 -8.921 673 2HG2 VAL 92 2HG2 VAL 92 -0.037 -2.691 -9.300 674 3HG2 VAL 92 3HG2 VAL 92 1.638 -2.676 -9.852 675 H ASN 93 H ASN 93 -1.946 -0.894 -12.816 676 HA ASN 93 HA ASN 93 -0.897 0.708 -14.675 677 1HB ASN 93 1HB ASN 93 -2.432 -0.330 -15.874 678 2HB ASN 93 2HB ASN 93 -3.213 -0.835 -14.398 679 2HD2 ASN 93 2HD2 ASN 93 -3.187 1.493 -16.963 680 1HD2 ASN 93 1HD2 ASN 93 -4.745 2.168 -16.646 681 H CYS 94 H CYS 94 -3.373 1.522 -12.348 682 HA CYS 94 HA CYS 94 -3.893 4.125 -13.308 683 1HB CYS 94 1HB CYS 94 -5.161 2.606 -11.537 684 2HB CYS 94 2HB CYS 94 -4.178 3.528 -10.401 685 H ALA 95 H ALA 95 -1.762 2.920 -10.707 686 HA ALA 95 HA ALA 95 -0.777 5.520 -10.075 687 1HB ALA 95 1HB ALA 95 -0.170 4.381 -8.300 688 2HB ALA 95 2HB ALA 95 1.188 3.781 -9.255 689 3HB ALA 95 3HB ALA 95 -0.300 2.840 -9.148 690 H LYS 96 H LYS 96 0.323 2.964 -12.241 691 HA LYS 96 HA LYS 96 2.840 3.866 -12.895 692 1HB LYS 96 1HB LYS 96 1.617 1.790 -13.772 693 2HB LYS 96 2HB LYS 96 0.864 2.857 -14.948 694 1HG LYS 96 1HG LYS 96 3.666 3.315 -15.005 695 2HG LYS 96 2HG LYS 96 3.380 1.575 -15.086 696 1HD LYS 96 1HD LYS 96 1.535 3.034 -16.770 697 2HD LYS 96 2HD LYS 96 3.211 3.398 -17.182 698 1HE LYS 96 1HE LYS 96 3.295 1.483 -18.303 699 2HE LYS 96 2HE LYS 96 3.107 0.629 -16.773 700 1HZ LYS 96 1HZ LYS 96 0.647 1.637 -17.912 701 2HZ LYS 96 2HZ LYS 96 1.406 0.435 -18.831 702 3HZ LYS 96 3HZ LYS 96 0.983 0.130 -17.221 703 H LYS 97 H LYS 97 -0.322 4.867 -13.767 704 HA LYS 97 HA LYS 97 0.484 6.955 -15.608 705 1HB LYS 97 1HB LYS 97 -1.712 5.653 -15.730 706 2HB LYS 97 2HB LYS 97 -2.244 6.617 -14.360 707 1HG LYS 97 1HG LYS 97 -2.390 8.544 -15.592 708 2HG LYS 97 2HG LYS 97 -1.196 8.006 -16.775 709 1HD LYS 97 1HD LYS 97 -3.251 6.163 -17.009 710 2HD LYS 97 2HD LYS 97 -4.083 7.701 -16.776 711 1HE LYS 97 1HE LYS 97 -1.870 7.319 -18.780 712 2HE LYS 97 2HE LYS 97 -3.570 7.059 -19.169 713 1HZ LYS 97 1HZ LYS 97 -3.669 9.478 -18.058 714 2HZ LYS 97 2HZ LYS 97 -2.125 9.537 -18.746 715 3HZ LYS 97 3HZ LYS 97 -3.472 9.221 -19.719 716 H ILE 98 H ILE 98 -0.418 6.611 -12.243 717 HA ILE 98 HA ILE 98 -0.797 9.309 -11.616 718 HB ILE 98 HB ILE 98 0.114 7.035 -9.879 719 1HG1 ILE 98 1HG1 ILE 98 -2.534 8.501 -10.016 720 2HG1 ILE 98 2HG1 ILE 98 -2.210 6.976 -10.832 721 1HG2 ILE 98 1HG2 ILE 98 0.038 9.896 -9.340 722 2HG2 ILE 98 2HG2 ILE 98 -0.921 8.952 -8.200 723 3HG2 ILE 98 3HG2 ILE 98 0.791 8.591 -8.424 724 1HD1 ILE 98 1HD1 ILE 98 -1.652 6.052 -8.530 725 2HD1 ILE 98 2HD1 ILE 98 -2.397 7.517 -7.892 726 3HD1 ILE 98 3HD1 ILE 98 -3.346 6.403 -8.875 727 H VAL 99 H VAL 99 2.062 7.267 -11.357 728 HA VAL 99 HA VAL 99 3.793 9.383 -10.564 729 HB VAL 99 HB VAL 99 4.063 6.862 -10.123 730 1HG1 VAL 99 1HG1 VAL 99 3.973 6.227 -12.527 731 2HG1 VAL 99 2HG1 VAL 99 5.532 7.020 -12.749 732 3HG1 VAL 99 3HG1 VAL 99 5.398 5.622 -11.683 733 1HG2 VAL 99 1HG2 VAL 99 5.638 8.574 -9.394 734 2HG2 VAL 99 2HG2 VAL 99 6.483 7.116 -9.916 735 3HG2 VAL 99 3HG2 VAL 99 6.426 8.529 -10.971 736 H SER 100 H SER 100 2.701 8.155 -13.609 737 HA SER 100 HA SER 100 4.885 9.351 -15.103 738 1HB SER 100 1HB SER 100 3.736 7.239 -15.849 739 2HB SER 100 2HB SER 100 2.294 8.202 -16.167 740 HG SER 100 HG SER 100 4.844 8.560 -17.364 741 H ASP 101 H ASP 101 2.083 10.374 -13.641 742 HA ASP 101 HA ASP 101 1.563 12.536 -15.547 743 1HB ASP 101 1HB ASP 101 -0.011 11.127 -13.539 744 2HB ASP 101 2HB ASP 101 -0.175 12.874 -13.408 745 H GLY 102 H GLY 102 3.539 11.980 -12.956 746 1HA GLY 102 1HA GLY 102 3.530 14.843 -12.221 747 2HA GLY 102 2HA GLY 102 5.004 13.908 -12.423 748 H ASN 103 H ASN 103 2.147 12.638 -10.843 749 HA ASN 103 HA ASN 103 3.016 13.267 -8.190 750 1HB ASN 103 1HB ASN 103 0.819 11.594 -9.359 751 2HB ASN 103 2HB ASN 103 1.200 11.466 -7.644 752 2HD2 ASN 103 2HD2 ASN 103 -0.442 12.458 -6.680 753 1HD2 ASN 103 1HD2 ASN 103 -0.959 14.074 -7.000 754 H GLY 104 H GLY 104 4.983 12.429 -7.693 755 1HA GLY 104 1HA GLY 104 6.647 10.847 -7.377 756 2HA GLY 104 2HA GLY 104 5.720 9.728 -8.366 757 H MET 105 H MET 105 7.129 9.339 -5.782 758 HA MET 105 HA MET 105 5.128 7.768 -4.486 759 1HB MET 105 1HB MET 105 7.712 8.399 -3.138 760 2HB MET 105 2HB MET 105 6.854 6.870 -3.247 761 1HG MET 105 1HG MET 105 8.399 8.174 -5.477 762 2HG MET 105 2HG MET 105 8.966 6.841 -4.474 763 1HE MET 105 1HE MET 105 6.962 4.947 -4.012 764 2HE MET 105 2HE MET 105 5.475 5.677 -4.617 765 3HE MET 105 3HE MET 105 6.102 4.205 -5.362 766 H ASN 106 H ASN 106 5.971 10.967 -4.452 767 HA ASN 106 HA ASN 106 5.600 11.613 -1.716 768 1HB ASN 106 1HB ASN 106 5.942 13.052 -4.285 769 2HB ASN 106 2HB ASN 106 5.172 13.935 -2.984 770 2HD2 ASN 106 2HD2 ASN 106 8.014 12.010 -3.763 771 1HD2 ASN 106 1HD2 ASN 106 9.090 12.833 -2.692 772 H ALA 107 H ALA 107 3.493 11.319 -4.508 773 HA ALA 107 HA ALA 107 1.268 12.739 -3.684 774 1HB ALA 107 1HB ALA 107 1.857 11.007 -5.753 775 2HB ALA 107 2HB ALA 107 0.327 11.846 -5.500 776 3HB ALA 107 3HB ALA 107 0.541 10.202 -4.900 777 H TRP 108 H TRP 108 2.152 9.397 -2.936 778 HA TRP 108 HA TRP 108 -0.120 9.014 -1.218 779 1HB TRP 108 1HB TRP 108 2.352 7.310 -1.615 780 2HB TRP 108 2HB TRP 108 0.903 6.819 -0.738 781 HD1 TRP 108 HD1 TRP 108 -1.347 6.434 -2.229 782 HE1 TRP 108 HE1 TRP 108 -1.632 5.779 -4.702 783 HE3 TRP 108 HE3 TRP 108 3.353 7.538 -3.907 784 HZ2 TRP 108 HZ2 TRP 108 -0.069 5.739 -7.066 785 HZ3 TRP 108 HZ3 TRP 108 3.876 7.166 -6.280 786 HH2 TRP 108 HH2 TRP 108 2.202 6.282 -7.823 787 H VAL 109 H VAL 109 -0.268 9.407 0.873 788 HA VAL 109 HA VAL 109 1.753 10.871 2.225 789 HB VAL 109 HB VAL 109 -0.352 9.801 3.866 790 1HG1 VAL 109 1HG1 VAL 109 1.194 11.667 4.451 791 2HG1 VAL 109 2HG1 VAL 109 0.367 12.645 3.239 792 3HG1 VAL 109 3HG1 VAL 109 -0.517 12.047 4.644 793 1HG2 VAL 109 1HG2 VAL 109 -0.978 11.135 1.295 794 2HG2 VAL 109 2HG2 VAL 109 -1.868 9.881 2.158 795 3HG2 VAL 109 3HG2 VAL 109 -1.945 11.555 2.709 796 H ALA 110 H ALA 110 0.918 7.496 2.227 797 HA ALA 110 HA ALA 110 2.054 6.883 4.760 798 1HB ALA 110 1HB ALA 110 0.909 5.410 2.527 799 2HB ALA 110 2HB ALA 110 0.874 5.055 4.254 800 3HB ALA 110 3HB ALA 110 2.263 4.568 3.283 801 H TRP 111 H TRP 111 3.347 7.472 1.643 802 HA TRP 111 HA TRP 111 5.902 6.239 2.272 803 1HB TRP 111 1HB TRP 111 5.144 6.064 -0.026 804 2HB TRP 111 2HB TRP 111 5.007 7.808 -0.156 805 HD1 TRP 111 HD1 TRP 111 7.510 4.986 -0.378 806 HE1 TRP 111 HE1 TRP 111 9.780 5.917 -1.155 807 HE3 TRP 111 HE3 TRP 111 6.508 9.988 -0.013 808 HZ2 TRP 111 HZ2 TRP 111 10.987 8.435 -1.558 809 HZ3 TRP 111 HZ3 TRP 111 8.276 11.590 -0.614 810 HH2 TRP 111 HH2 TRP 111 10.468 10.828 -1.370 811 H ARG 112 H ARG 112 4.455 9.471 2.075 812 HA ARG 112 HA ARG 112 7.004 10.706 2.768 813 1HB ARG 112 1HB ARG 112 4.577 11.529 1.461 814 2HB ARG 112 2HB ARG 112 4.953 12.610 2.794 815 1HG ARG 112 1HG ARG 112 7.375 12.441 1.642 816 2HG ARG 112 2HG ARG 112 6.344 12.208 0.229 817 1HD ARG 112 1HD ARG 112 6.815 14.553 0.470 818 2HD ARG 112 2HD ARG 112 5.115 14.270 0.843 819 HE ARG 112 HE ARG 112 5.993 14.256 3.268 820 1HH1 ARG 112 1HH1 ARG 112 7.224 16.235 0.677 821 2HH1 ARG 112 2HH1 ARG 112 7.743 17.511 1.725 822 1HH2 ARG 112 1HH2 ARG 112 6.674 15.932 4.656 823 2HH2 ARG 112 2HH2 ARG 112 7.431 17.339 3.987 824 H ASN 113 H ASN 113 6.103 9.027 4.728 825 HA ASN 113 HA ASN 113 5.771 10.873 6.924 826 1HB ASN 113 1HB ASN 113 3.428 10.197 6.015 827 2HB ASN 113 2HB ASN 113 3.749 8.658 6.810 828 2HD2 ASN 113 2HD2 ASN 113 2.766 11.883 7.195 829 1HD2 ASN 113 1HD2 ASN 113 2.604 11.878 8.916 830 H ARG 114 H ARG 114 5.318 7.398 6.322 831 HA ARG 114 HA ARG 114 7.061 6.831 8.603 832 1HB ARG 114 1HB ARG 114 4.879 5.388 7.204 833 2HB ARG 114 2HB ARG 114 6.160 4.414 7.906 834 1HG ARG 114 1HG ARG 114 5.228 4.600 9.903 835 2HG ARG 114 2HG ARG 114 5.366 6.356 9.821 836 1HD ARG 114 1HD ARG 114 3.238 6.016 8.236 837 2HD ARG 114 2HD ARG 114 3.049 4.599 9.267 838 HE ARG 114 HE ARG 114 2.971 7.399 10.138 839 1HH1 ARG 114 1HH1 ARG 114 2.563 4.007 10.823 840 2HH1 ARG 114 2HH1 ARG 114 1.736 4.278 12.320 841 1HH2 ARG 114 1HH2 ARG 114 1.882 7.764 12.107 842 2HH2 ARG 114 2HH2 ARG 114 1.348 6.413 13.049 843 H CYS 115 H CYS 115 7.302 7.145 5.313 844 HA CYS 115 HA CYS 115 9.442 5.133 5.142 845 1HB CYS 115 1HB CYS 115 7.601 4.837 3.531 846 2HB CYS 115 2HB CYS 115 7.918 6.445 2.889 847 H LYS 116 H LYS 116 8.628 8.475 4.237 848 HA LYS 116 HA LYS 116 11.076 9.171 3.107 849 1HB LYS 116 1HB LYS 116 8.932 10.506 3.071 850 2HB LYS 116 2HB LYS 116 9.312 11.025 4.708 851 1HG LYS 116 1HG LYS 116 10.710 12.584 3.977 852 2HG LYS 116 2HG LYS 116 11.552 11.435 2.934 853 1HD LYS 116 1HD LYS 116 9.802 11.711 1.235 854 2HD LYS 116 2HD LYS 116 8.980 12.873 2.277 855 1HE LYS 116 1HE LYS 116 11.757 13.573 1.927 856 2HE LYS 116 2HE LYS 116 10.946 13.407 0.370 857 1HZ LYS 116 1HZ LYS 116 9.459 14.877 2.368 858 2HZ LYS 116 2HZ LYS 116 10.894 15.622 1.869 859 3HZ LYS 116 3HZ LYS 116 9.708 15.223 0.731 860 H GLY 117 H GLY 117 12.828 8.396 4.264 861 1HA GLY 117 1HA GLY 117 13.170 9.452 6.992 862 2HA GLY 117 2HA GLY 117 14.415 9.724 5.784 863 H THR 118 H THR 118 13.271 6.767 5.001 864 HA THR 118 HA THR 118 15.135 5.407 6.832 865 HB THR 118 HB THR 118 13.794 3.337 6.375 866 HG1 THR 118 HG1 THR 118 11.514 4.614 5.684 867 1HG2 THR 118 1HG2 THR 118 12.783 5.710 7.848 868 2HG2 THR 118 2HG2 THR 118 11.692 4.335 7.666 869 3HG2 THR 118 3HG2 THR 118 13.257 4.123 8.451 870 H ASP 119 H ASP 119 14.816 2.927 5.218 871 HA ASP 119 HA ASP 119 16.256 3.689 2.789 872 1HB ASP 119 1HB ASP 119 17.652 2.845 4.819 873 2HB ASP 119 2HB ASP 119 17.121 1.293 4.215 874 H VAL 120 H VAL 120 14.968 3.069 1.183 875 HA VAL 120 HA VAL 120 13.208 0.825 1.380 876 HB VAL 120 HB VAL 120 12.599 1.333 -0.935 877 1HG1 VAL 120 1HG1 VAL 120 12.200 2.951 1.276 878 2HG1 VAL 120 2HG1 VAL 120 12.650 4.077 -0.005 879 3HG1 VAL 120 3HG1 VAL 120 11.282 2.985 -0.230 880 1HG2 VAL 120 1HG2 VAL 120 15.192 2.513 -1.000 881 2HG2 VAL 120 2HG2 VAL 120 14.062 2.252 -2.329 882 3HG2 VAL 120 3HG2 VAL 120 13.998 3.749 -1.398 883 H GLN 121 H GLN 121 16.361 1.468 0.012 884 HA GLN 121 HA GLN 121 16.590 -0.739 -1.698 885 1HB GLN 121 1HB GLN 121 18.219 1.341 -1.015 886 2HB GLN 121 2HB GLN 121 19.024 0.004 -0.205 887 1HG GLN 121 1HG GLN 121 18.505 -1.025 -2.691 888 2HG GLN 121 2HG GLN 121 18.873 0.664 -3.034 889 2HE2 GLN 121 2HE2 GLN 121 20.915 0.987 -3.500 890 1HE2 GLN 121 1HE2 GLN 121 22.265 0.135 -2.841 891 H ALA 122 H ALA 122 16.645 -0.437 1.726 892 HA ALA 122 HA ALA 122 17.745 -3.098 2.147 893 1HB ALA 122 1HB ALA 122 17.035 -0.805 3.922 894 2HB ALA 122 2HB ALA 122 17.155 -2.426 4.606 895 3HB ALA 122 3HB ALA 122 18.547 -1.704 3.796 896 H TRP 123 H TRP 123 14.708 -1.526 1.805 897 HA TRP 123 HA TRP 123 13.090 -3.267 3.340 898 1HB TRP 123 1HB TRP 123 12.619 -1.309 1.152 899 2HB TRP 123 2HB TRP 123 11.356 -2.498 1.453 900 HD1 TRP 123 HD1 TRP 123 11.644 0.843 2.155 901 HE1 TRP 123 HE1 TRP 123 10.761 1.541 4.471 902 HE3 TRP 123 HE3 TRP 123 11.617 -3.703 4.462 903 HZ2 TRP 123 HZ2 TRP 123 10.149 0.294 6.916 904 HZ3 TRP 123 HZ3 TRP 123 10.871 -3.873 6.780 905 HH2 TRP 123 HH2 TRP 123 10.144 -1.892 7.995 906 H ILE 124 H ILE 124 14.754 -3.721 0.400 907 HA ILE 124 HA ILE 124 13.295 -6.242 -0.047 908 HB ILE 124 HB ILE 124 13.937 -5.995 -2.479 909 1HG1 ILE 124 1HG1 ILE 124 14.010 -3.055 -2.159 910 2HG1 ILE 124 2HG1 ILE 124 15.459 -3.912 -1.645 911 1HG2 ILE 124 1HG2 ILE 124 11.659 -5.604 -1.507 912 2HG2 ILE 124 2HG2 ILE 124 12.039 -3.881 -1.488 913 3HG2 ILE 124 3HG2 ILE 124 11.982 -4.755 -3.018 914 1HD1 ILE 124 1HD1 ILE 124 14.625 -4.925 -4.175 915 2HD1 ILE 124 2HD1 ILE 124 14.711 -3.165 -4.246 916 3HD1 ILE 124 3HD1 ILE 124 16.120 -4.098 -3.743 917 H ARG 125 H ARG 125 15.941 -5.227 1.253 918 HA ARG 125 HA ARG 125 18.071 -6.391 -0.189 919 1HB ARG 125 1HB ARG 125 17.917 -4.806 2.000 920 2HB ARG 125 2HB ARG 125 18.277 -6.350 2.760 921 1HG ARG 125 1HG ARG 125 19.951 -5.698 0.441 922 2HG ARG 125 2HG ARG 125 20.136 -4.623 1.828 923 1HD ARG 125 1HD ARG 125 20.092 -7.129 2.969 924 2HD ARG 125 2HD ARG 125 20.986 -7.386 1.473 925 HE ARG 125 HE ARG 125 21.750 -5.563 3.647 926 1HH1 ARG 125 1HH1 ARG 125 22.512 -7.268 0.705 927 2HH1 ARG 125 2HH1 ARG 125 24.206 -6.921 0.791 928 1HH2 ARG 125 1HH2 ARG 125 23.979 -5.102 3.768 929 2HH2 ARG 125 2HH2 ARG 125 25.041 -5.691 2.532 930 H GLY 126 H GLY 126 17.606 -8.465 -0.859 931 1HA GLY 126 1HA GLY 126 17.344 -10.463 1.304 932 2HA GLY 126 2HA GLY 126 18.323 -10.721 -0.132 933 H CYS 127 H CYS 127 15.647 -9.088 -1.129 934 HA CYS 127 HA CYS 127 13.684 -11.101 -1.166 935 1HB CYS 127 1HB CYS 127 14.057 -8.497 -2.407 936 2HB CYS 127 2HB CYS 127 12.914 -9.561 -3.199 937 H ARG 128 H ARG 128 13.496 -12.855 -2.393 938 HA ARG 128 HA ARG 128 15.405 -13.319 -4.517 939 1HB ARG 128 1HB ARG 128 13.713 -14.939 -2.804 940 2HB ARG 128 2HB ARG 128 13.603 -15.448 -4.483 941 1HG ARG 128 1HG ARG 128 16.342 -14.994 -3.814 942 2HG ARG 128 2HG ARG 128 15.608 -16.058 -2.613 943 1HD ARG 128 1HD ARG 128 14.716 -16.857 -5.194 944 2HD ARG 128 2HD ARG 128 16.470 -16.686 -5.242 945 HE ARG 128 HE ARG 128 15.518 -18.156 -2.963 946 1HH1 ARG 128 1HH1 ARG 128 16.452 -18.363 -6.314 947 2HH1 ARG 128 2HH1 ARG 128 16.855 -20.045 -6.231 948 1HH2 ARG 128 1HH2 ARG 128 16.045 -20.371 -2.846 949 2HH2 ARG 128 2HH2 ARG 128 16.623 -21.187 -4.260 950 H LEU 129 H LEU 129 14.890 -12.089 -6.268 951 HA LEU 129 HA LEU 129 12.664 -12.960 -7.862 952 1HB LEU 129 1HB LEU 129 11.560 -10.830 -8.082 953 2HB LEU 129 2HB LEU 129 11.591 -11.298 -6.393 954 HG LEU 129 HG LEU 129 13.869 -9.758 -6.648 955 1HD1 LEU 129 1HD1 LEU 129 12.912 -9.156 -8.943 956 2HD1 LEU 129 2HD1 LEU 129 11.688 -8.252 -8.051 957 3HD1 LEU 129 3HD1 LEU 129 13.392 -7.832 -7.881 958 1HD2 LEU 129 1HD2 LEU 129 12.256 -9.760 -4.798 959 2HD2 LEU 129 2HD2 LEU 129 12.638 -8.125 -5.338 960 3HD2 LEU 129 3HD2 LEU 129 11.111 -8.875 -5.806 No H/Q in entry = 960 Start of MODEL 27 1 H1 LYS 1 H1 LYS 1 -7.126 -8.488 0.765 2 H2 LYS 1 H2 LYS 1 -7.958 -9.659 -0.127 3 H3 LYS 1 H3 LYS 1 -7.701 -9.882 1.531 4 HA LYS 1 HA LYS 1 -5.861 -10.984 1.089 5 1HB LYS 1 1HB LYS 1 -7.123 -11.037 -1.257 6 2HB LYS 1 2HB LYS 1 -5.721 -10.101 -1.757 7 1HG LYS 1 1HG LYS 1 -4.815 -12.329 -0.242 8 2HG LYS 1 2HG LYS 1 -5.954 -12.899 -1.463 9 1HD LYS 1 1HD LYS 1 -4.642 -12.181 -3.215 10 2HD LYS 1 2HD LYS 1 -3.839 -10.946 -2.244 11 1HE LYS 1 1HE LYS 1 -2.129 -12.353 -2.029 12 2HE LYS 1 2HE LYS 1 -3.173 -13.356 -1.022 13 1HZ LYS 1 1HZ LYS 1 -3.942 -14.175 -3.406 14 2HZ LYS 1 2HZ LYS 1 -2.360 -13.721 -3.797 15 3HZ LYS 1 3HZ LYS 1 -2.635 -14.873 -2.590 16 H VAL 2 H VAL 2 -3.953 -10.359 1.837 17 HA VAL 2 HA VAL 2 -2.845 -7.791 0.911 18 HB VAL 2 HB VAL 2 -2.398 -9.239 3.526 19 1HG1 VAL 2 1HG1 VAL 2 -0.499 -7.775 2.296 20 2HG1 VAL 2 2HG1 VAL 2 -1.368 -6.500 3.151 21 3HG1 VAL 2 3HG1 VAL 2 -0.684 -7.855 4.049 22 1HG2 VAL 2 1HG2 VAL 2 -4.305 -7.285 2.678 23 2HG2 VAL 2 2HG2 VAL 2 -4.137 -8.067 4.251 24 3HG2 VAL 2 3HG2 VAL 2 -3.246 -6.585 3.902 25 H PHE 3 H PHE 3 -0.993 -7.825 -0.235 26 HA PHE 3 HA PHE 3 0.349 -10.314 -0.742 27 1HB PHE 3 1HB PHE 3 1.097 -7.476 -1.491 28 2HB PHE 3 2HB PHE 3 1.912 -8.918 -2.076 29 HD1 PHE 3 HD1 PHE 3 -1.234 -10.094 -2.043 30 HD2 PHE 3 HD2 PHE 3 1.038 -7.082 -4.009 31 HE1 PHE 3 HE1 PHE 3 -2.775 -10.181 -3.956 32 HE2 PHE 3 HE2 PHE 3 -0.494 -7.163 -5.920 33 HZ PHE 3 HZ PHE 3 -2.405 -8.713 -5.901 34 H GLY 4 H GLY 4 2.913 -10.079 -0.705 35 1HA GLY 4 1HA GLY 4 4.472 -10.571 1.036 36 2HA GLY 4 2HA GLY 4 3.590 -9.470 2.088 37 H ARG 5 H ARG 5 6.458 -9.523 1.429 38 HA ARG 5 HA ARG 5 6.680 -6.723 0.656 39 1HB ARG 5 1HB ARG 5 8.376 -8.654 2.140 40 2HB ARG 5 2HB ARG 5 9.218 -7.411 1.224 41 1HG ARG 5 1HG ARG 5 8.813 -5.912 2.800 42 2HG ARG 5 2HG ARG 5 7.078 -6.223 2.706 43 1HD ARG 5 1HD ARG 5 8.734 -8.227 4.125 44 2HD ARG 5 2HD ARG 5 8.519 -6.665 4.913 45 HE ARG 5 HE ARG 5 6.237 -7.109 5.136 46 1HH1 ARG 5 1HH1 ARG 5 7.889 -9.674 3.452 47 2HH1 ARG 5 2HH1 ARG 5 6.590 -10.805 3.636 48 1HH2 ARG 5 1HH2 ARG 5 4.522 -8.591 5.383 49 2HH2 ARG 5 2HH2 ARG 5 4.676 -10.189 4.732 50 H CYS 6 H CYS 6 8.345 -9.764 -0.210 51 HA CYS 6 HA CYS 6 9.348 -8.520 -2.609 52 1HB CYS 6 1HB CYS 6 9.546 -11.458 -2.108 53 2HB CYS 6 2HB CYS 6 10.674 -10.368 -2.908 54 H GLU 7 H GLU 7 6.856 -10.873 -1.756 55 HA GLU 7 HA GLU 7 6.211 -11.934 -4.199 56 1HB GLU 7 1HB GLU 7 5.039 -12.281 -1.936 57 2HB GLU 7 2HB GLU 7 4.077 -10.869 -2.350 58 1HG GLU 7 1HG GLU 7 2.762 -12.047 -3.689 59 2HG GLU 7 2HG GLU 7 4.136 -12.787 -4.511 60 H LEU 8 H LEU 8 5.011 -8.875 -2.869 61 HA LEU 8 HA LEU 8 3.751 -8.056 -5.270 62 1HB LEU 8 1HB LEU 8 2.968 -7.007 -3.309 63 2HB LEU 8 2HB LEU 8 4.589 -6.583 -2.788 64 HG LEU 8 HG LEU 8 4.693 -5.043 -4.814 65 1HD1 LEU 8 1HD1 LEU 8 2.046 -6.172 -5.160 66 2HD1 LEU 8 2HD1 LEU 8 2.022 -4.409 -5.117 67 3HD1 LEU 8 3HD1 LEU 8 3.041 -5.248 -6.286 68 1HD2 LEU 8 1HD2 LEU 8 4.294 -4.347 -2.429 69 2HD2 LEU 8 2HD2 LEU 8 3.679 -3.243 -3.659 70 3HD2 LEU 8 3HD2 LEU 8 2.572 -4.321 -2.808 71 H ALA 9 H ALA 9 7.013 -7.573 -3.911 72 HA ALA 9 HA ALA 9 7.854 -5.580 -5.698 73 1HB ALA 9 1HB ALA 9 9.655 -7.717 -4.608 74 2HB ALA 9 2HB ALA 9 9.043 -6.388 -3.623 75 3HB ALA 9 3HB ALA 9 10.054 -6.050 -5.027 76 H ALA 10 H ALA 10 8.314 -9.121 -5.927 77 HA ALA 10 HA ALA 10 9.584 -9.224 -8.368 78 1HB ALA 10 1HB ALA 10 9.059 -11.478 -8.431 79 2HB ALA 10 2HB ALA 10 7.464 -11.233 -7.717 80 3HB ALA 10 3HB ALA 10 8.907 -11.123 -6.709 81 H ALA 11 H ALA 11 6.160 -8.903 -7.591 82 HA ALA 11 HA ALA 11 5.210 -9.074 -10.233 83 1HB ALA 11 1HB ALA 11 3.931 -9.149 -7.955 84 2HB ALA 11 2HB ALA 11 3.132 -8.546 -9.406 85 3HB ALA 11 3HB ALA 11 3.789 -7.413 -8.226 86 H MET 12 H MET 12 6.320 -6.479 -8.286 87 HA MET 12 HA MET 12 5.621 -4.295 -9.898 88 1HB MET 12 1HB MET 12 8.186 -4.432 -8.331 89 2HB MET 12 2HB MET 12 7.235 -3.015 -8.701 90 1HG MET 12 1HG MET 12 6.468 -5.222 -6.824 91 2HG MET 12 2HG MET 12 7.002 -3.604 -6.382 92 1HE MET 12 1HE MET 12 5.905 -1.727 -8.108 93 2HE MET 12 2HE MET 12 4.175 -1.427 -7.943 94 3HE MET 12 3HE MET 12 5.220 -1.366 -6.524 95 H LYS 13 H LYS 13 8.646 -6.150 -9.771 96 HA LYS 13 HA LYS 13 10.073 -4.859 -11.748 97 1HB LYS 13 1HB LYS 13 10.452 -7.111 -10.217 98 2HB LYS 13 2HB LYS 13 10.343 -7.780 -11.838 99 1HG LYS 13 1HG LYS 13 12.060 -5.431 -11.678 100 2HG LYS 13 2HG LYS 13 12.602 -6.771 -10.666 101 1HD LYS 13 1HD LYS 13 13.161 -8.041 -12.438 102 2HD LYS 13 2HD LYS 13 11.739 -7.550 -13.361 103 1HE LYS 13 1HE LYS 13 13.333 -5.264 -13.193 104 2HE LYS 13 2HE LYS 13 14.456 -6.586 -13.511 105 1HZ LYS 13 1HZ LYS 13 12.000 -6.089 -15.102 106 2HZ LYS 13 2HZ LYS 13 13.532 -5.516 -15.532 107 3HZ LYS 13 3HZ LYS 13 13.243 -7.182 -15.454 108 H ARG 14 H ARG 14 7.794 -7.553 -12.079 109 HA ARG 14 HA ARG 14 7.997 -7.806 -14.872 110 1HB ARG 14 1HB ARG 14 6.443 -8.955 -12.763 111 2HB ARG 14 2HB ARG 14 5.356 -8.479 -14.061 112 1HG ARG 14 1HG ARG 14 5.952 -10.234 -15.268 113 2HG ARG 14 2HG ARG 14 7.655 -9.783 -15.160 114 1HD ARG 14 1HD ARG 14 7.569 -10.813 -12.809 115 2HD ARG 14 2HD ARG 14 6.058 -11.552 -13.337 116 HE ARG 14 HE ARG 14 8.498 -11.961 -14.914 117 1HH1 ARG 14 1HH1 ARG 14 5.959 -13.225 -12.890 118 2HH1 ARG 14 2HH1 ARG 14 6.319 -14.880 -13.251 119 1HH2 ARG 14 1HH2 ARG 14 8.979 -14.137 -15.395 120 2HH2 ARG 14 2HH2 ARG 14 8.036 -15.399 -14.674 121 H HIS 15 H HIS 15 5.890 -5.850 -12.789 122 HA HIS 15 HA HIS 15 4.347 -4.832 -14.949 123 1HB HIS 15 1HB HIS 15 4.533 -4.389 -12.020 124 2HB HIS 15 2HB HIS 15 3.816 -3.100 -12.982 125 HD1 HIS 15 HD1 HIS 15 2.551 -5.423 -10.929 126 HD2 HIS 15 HD2 HIS 15 1.992 -4.880 -15.010 127 HE1 HIS 15 HE1 HIS 15 0.363 -6.539 -11.463 128 HE2 HIS 15 HE2 HIS 15 0.002 -6.119 -13.920 129 H GLY 16 H GLY 16 7.530 -4.149 -14.073 130 1HA GLY 16 1HA GLY 16 7.534 -1.882 -15.784 131 2HA GLY 16 2HA GLY 16 8.912 -2.595 -14.975 132 H LEU 17 H LEU 17 7.454 -2.150 -12.248 133 HA LEU 17 HA LEU 17 7.515 0.751 -12.217 134 1HB LEU 17 1HB LEU 17 7.160 -0.906 -9.759 135 2HB LEU 17 2HB LEU 17 6.552 0.698 -10.097 136 HG LEU 17 HG LEU 17 5.382 -1.938 -10.689 137 1HD1 LEU 17 1HD1 LEU 17 4.713 0.360 -9.279 138 2HD1 LEU 17 2HD1 LEU 17 3.634 0.363 -10.674 139 3HD1 LEU 17 3HD1 LEU 17 3.673 -1.031 -9.592 140 1HD2 LEU 17 1HD2 LEU 17 5.410 0.281 -12.699 141 2HD2 LEU 17 2HD2 LEU 17 5.513 -1.461 -12.952 142 3HD2 LEU 17 3HD2 LEU 17 3.971 -0.723 -12.520 143 H ASP 18 H ASP 18 9.722 -1.621 -11.982 144 HA ASP 18 HA ASP 18 11.335 -0.608 -9.854 145 1HB ASP 18 1HB ASP 18 11.848 -2.812 -10.206 146 2HB ASP 18 2HB ASP 18 11.670 -2.695 -11.947 147 H ASN 19 H ASN 19 11.768 1.485 -10.102 148 HA ASN 19 HA ASN 19 12.861 3.360 -10.735 149 1HB ASN 19 1HB ASN 19 14.660 1.336 -11.226 150 2HB ASN 19 2HB ASN 19 14.572 2.140 -12.791 151 2HD2 ASN 19 2HD2 ASN 19 14.433 4.687 -12.385 152 1HD2 ASN 19 1HD2 ASN 19 15.728 5.287 -11.411 153 H TYR 20 H TYR 20 10.500 2.606 -12.021 154 HA TYR 20 HA TYR 20 10.666 3.112 -14.826 155 1HB TYR 20 1HB TYR 20 8.717 1.991 -13.695 156 2HB TYR 20 2HB TYR 20 8.295 3.544 -12.983 157 HD1 TYR 20 HD1 TYR 20 8.902 1.964 -16.313 158 HD2 TYR 20 HD2 TYR 20 6.786 4.910 -14.087 159 HE1 TYR 20 HE1 TYR 20 7.573 2.511 -18.309 160 HE2 TYR 20 HE2 TYR 20 5.451 5.463 -16.076 161 HH TYR 20 HH TYR 20 5.430 3.518 -18.876 162 H ARG 21 H ARG 21 9.579 5.163 -15.757 163 HA ARG 21 HA ARG 21 10.921 7.375 -15.554 164 1HB ARG 21 1HB ARG 21 7.963 7.048 -15.768 165 2HB ARG 21 2HB ARG 21 8.611 8.675 -15.605 166 1HG ARG 21 1HG ARG 21 9.459 8.689 -17.689 167 2HG ARG 21 2HG ARG 21 9.919 6.986 -17.629 168 1HD ARG 21 1HD ARG 21 8.226 7.011 -19.217 169 2HD ARG 21 2HD ARG 21 7.382 6.532 -17.745 170 HE ARG 21 HE ARG 21 6.912 9.088 -17.633 171 1HH1 ARG 21 1HH1 ARG 21 6.991 7.097 -20.492 172 2HH1 ARG 21 2HH1 ARG 21 5.852 8.072 -21.358 173 1HH2 ARG 21 1HH2 ARG 21 5.413 10.378 -18.767 174 2HH2 ARG 21 2HH2 ARG 21 4.955 9.937 -20.378 175 H GLY 22 H GLY 22 8.634 6.358 -13.109 176 1HA GLY 22 1HA GLY 22 8.087 7.256 -11.048 177 2HA GLY 22 2HA GLY 22 9.016 8.690 -11.458 178 H TYR 23 H TYR 23 9.018 5.654 -9.831 179 HA TYR 23 HA TYR 23 11.836 6.067 -9.112 180 1HB TYR 23 1HB TYR 23 9.492 5.687 -7.282 181 2HB TYR 23 2HB TYR 23 11.132 5.326 -6.756 182 HD1 TYR 23 HD1 TYR 23 8.995 8.041 -8.121 183 HD2 TYR 23 HD2 TYR 23 12.538 7.045 -5.986 184 HE1 TYR 23 HE1 TYR 23 9.324 10.415 -7.573 185 HE2 TYR 23 HE2 TYR 23 12.875 9.416 -5.432 186 HH TYR 23 HH TYR 23 12.201 11.648 -6.394 187 H SER 24 H SER 24 12.570 4.235 -7.563 188 HA SER 24 HA SER 24 12.455 1.830 -9.140 189 1HB SER 24 1HB SER 24 14.326 1.085 -7.838 190 2HB SER 24 2HB SER 24 14.588 2.783 -8.235 191 HG SER 24 HG SER 24 14.254 3.338 -6.185 192 H LEU 25 H LEU 25 12.457 -0.277 -8.003 193 HA LEU 25 HA LEU 25 10.055 -0.998 -7.031 194 1HB LEU 25 1HB LEU 25 12.745 -2.113 -7.020 195 2HB LEU 25 2HB LEU 25 11.757 -2.716 -5.703 196 HG LEU 25 HG LEU 25 10.592 -2.714 -8.431 197 1HD1 LEU 25 1HD1 LEU 25 13.048 -3.657 -8.343 198 2HD1 LEU 25 2HD1 LEU 25 12.243 -5.051 -7.621 199 3HD1 LEU 25 3HD1 LEU 25 11.777 -4.498 -9.230 200 1HD2 LEU 25 1HD2 LEU 25 10.390 -4.370 -5.937 201 2HD2 LEU 25 2HD2 LEU 25 9.129 -3.453 -6.762 202 3HD2 LEU 25 3HD2 LEU 25 9.752 -4.938 -7.481 203 H GLY 26 H GLY 26 12.875 -0.456 -4.891 204 1HA GLY 26 1HA GLY 26 12.970 0.425 -2.764 205 2HA GLY 26 2HA GLY 26 11.788 -0.833 -2.450 206 H ASN 27 H ASN 27 11.331 2.090 -4.396 207 HA ASN 27 HA ASN 27 9.996 3.546 -2.357 208 1HB ASN 27 1HB ASN 27 9.770 3.936 -5.344 209 2HB ASN 27 2HB ASN 27 9.384 5.116 -4.095 210 2HD2 ASN 27 2HD2 ASN 27 11.916 3.485 -5.814 211 1HD2 ASN 27 1HD2 ASN 27 13.208 4.502 -5.287 212 H TRP 28 H TRP 28 8.907 1.326 -4.841 213 HA TRP 28 HA TRP 28 6.123 1.881 -4.545 214 1HB TRP 28 1HB TRP 28 7.559 -0.500 -5.717 215 2HB TRP 28 2HB TRP 28 5.818 -0.218 -5.828 216 HD1 TRP 28 HD1 TRP 28 9.078 0.755 -7.382 217 HE1 TRP 28 HE1 TRP 28 8.675 2.447 -9.268 218 HE3 TRP 28 HE3 TRP 28 4.142 1.718 -6.540 219 HZ2 TRP 28 HZ2 TRP 28 6.524 3.976 -10.300 220 HZ3 TRP 28 HZ3 TRP 28 2.964 3.290 -8.015 221 HH2 TRP 28 HH2 TRP 28 4.135 4.402 -9.863 222 H VAL 29 H VAL 29 8.311 -0.575 -3.188 223 HA VAL 29 HA VAL 29 6.292 -2.015 -1.848 224 HB VAL 29 HB VAL 29 9.240 -1.813 -1.219 225 1HG1 VAL 29 1HG1 VAL 29 7.203 -3.018 0.257 226 2HG1 VAL 29 2HG1 VAL 29 8.008 -4.337 -0.593 227 3HG1 VAL 29 3HG1 VAL 29 8.940 -3.254 0.441 228 1HG2 VAL 29 1HG2 VAL 29 7.695 -3.368 -3.223 229 2HG2 VAL 29 2HG2 VAL 29 9.303 -2.654 -3.337 230 3HG2 VAL 29 3HG2 VAL 29 9.066 -4.154 -2.439 231 H CYS 30 H CYS 30 8.605 0.430 -0.757 232 HA CYS 30 HA CYS 30 7.831 0.536 1.911 233 1HB CYS 30 1HB CYS 30 9.833 1.620 0.728 234 2HB CYS 30 2HB CYS 30 8.735 2.938 0.339 235 H ALA 31 H ALA 31 6.694 2.493 -0.840 236 HA ALA 31 HA ALA 31 4.878 4.070 0.612 237 1HB ALA 31 1HB ALA 31 5.808 4.359 -1.785 238 2HB ALA 31 2HB ALA 31 4.170 4.905 -1.426 239 3HB ALA 31 3HB ALA 31 4.427 3.372 -2.260 240 H ALA 32 H ALA 32 4.393 1.068 -1.226 241 HA ALA 32 HA ALA 32 1.596 0.937 -0.791 242 1HB ALA 32 1HB ALA 32 2.403 -0.282 -2.620 243 2HB ALA 32 2HB ALA 32 1.936 -1.505 -1.438 244 3HB ALA 32 3HB ALA 32 3.636 -1.088 -1.651 245 H LYS 33 H LYS 33 4.327 -0.705 0.803 246 HA LYS 33 HA LYS 33 3.032 -2.360 2.527 247 1HB LYS 33 1HB LYS 33 5.480 -2.217 2.294 248 2HB LYS 33 2HB LYS 33 5.465 -0.688 3.160 249 1HG LYS 33 1HG LYS 33 4.186 -2.259 4.938 250 2HG LYS 33 2HG LYS 33 5.249 -3.439 4.170 251 1HD LYS 33 1HD LYS 33 7.187 -2.207 4.751 252 2HD LYS 33 2HD LYS 33 6.237 -0.792 5.207 253 1HE LYS 33 1HE LYS 33 6.966 -1.881 7.210 254 2HE LYS 33 2HE LYS 33 5.230 -2.141 7.041 255 1HZ LYS 33 1HZ LYS 33 6.514 -4.248 5.757 256 2HZ LYS 33 2HZ LYS 33 7.278 -4.057 7.252 257 3HZ LYS 33 3HZ LYS 33 5.607 -4.303 7.183 258 H PHE 34 H PHE 34 3.998 0.985 3.307 259 HA PHE 34 HA PHE 34 2.502 0.932 5.722 260 1HB PHE 34 1HB PHE 34 4.185 2.861 4.351 261 2HB PHE 34 2HB PHE 34 3.002 3.539 5.449 262 HD1 PHE 34 HD1 PHE 34 2.942 2.404 7.817 263 HD2 PHE 34 HD2 PHE 34 6.252 2.249 5.147 264 HE1 PHE 34 HE1 PHE 34 4.439 1.912 9.707 265 HE2 PHE 34 HE2 PHE 34 7.754 1.755 7.031 266 HZ PHE 34 HZ PHE 34 6.848 1.586 9.315 267 H GLU 35 H GLU 35 1.706 1.698 2.484 268 HA GLU 35 HA GLU 35 -0.357 3.544 2.932 269 1HB GLU 35 1HB GLU 35 0.790 2.085 0.752 270 2HB GLU 35 2HB GLU 35 -0.962 1.970 0.660 271 1HG GLU 35 1HG GLU 35 -1.228 4.263 0.417 272 2HG GLU 35 2HG GLU 35 0.367 4.615 1.080 273 H SER 36 H SER 36 -0.534 0.061 2.254 274 HA SER 36 HA SER 36 -3.119 -0.015 3.678 275 1HB SER 36 1HB SER 36 -3.811 -1.729 1.924 276 2HB SER 36 2HB SER 36 -3.669 -0.070 1.348 277 HG SER 36 HG SER 36 -1.525 -1.896 1.174 278 H ASN 37 H ASN 37 -0.146 -0.960 4.103 279 HA ASN 37 HA ASN 37 0.896 -2.715 5.143 280 1HB ASN 37 1HB ASN 37 -1.977 -3.195 5.916 281 2HB ASN 37 2HB ASN 37 -0.720 -4.337 6.382 282 2HD2 ASN 37 2HD2 ASN 37 -0.584 -4.017 8.512 283 1HD2 ASN 37 1HD2 ASN 37 -0.217 -2.507 9.264 284 H PHE 38 H PHE 38 0.044 -2.780 2.402 285 HA PHE 38 HA PHE 38 0.256 -4.054 0.605 286 1HB PHE 38 1HB PHE 38 0.979 -6.118 2.664 287 2HB PHE 38 2HB PHE 38 0.859 -6.523 0.952 288 HD1 PHE 38 HD1 PHE 38 1.934 -4.197 -0.373 289 HD2 PHE 38 HD2 PHE 38 3.237 -6.112 3.197 290 HE1 PHE 38 HE1 PHE 38 4.200 -3.324 -0.743 291 HE2 PHE 38 HE2 PHE 38 5.507 -5.239 2.834 292 HZ PHE 38 HZ PHE 38 5.995 -3.852 0.861 293 H ASN 39 H ASN 39 -2.266 -3.676 2.143 294 HA ASN 39 HA ASN 39 -3.800 -6.035 1.404 295 1HB ASN 39 1HB ASN 39 -4.149 -4.577 3.532 296 2HB ASN 39 2HB ASN 39 -4.989 -3.478 2.442 297 2HD2 ASN 39 2HD2 ASN 39 -5.942 -5.133 4.698 298 1HD2 ASN 39 1HD2 ASN 39 -7.232 -6.084 4.054 299 H THR 40 H THR 40 -4.252 -6.217 -0.665 300 HA THR 40 HA THR 40 -4.422 -3.946 -2.414 301 HB THR 40 HB THR 40 -4.309 -5.446 -4.144 302 HG1 THR 40 HG1 THR 40 -5.150 -7.789 -3.362 303 1HG2 THR 40 1HG2 THR 40 -2.690 -6.030 -2.050 304 2HG2 THR 40 2HG2 THR 40 -3.448 -7.595 -2.342 305 3HG2 THR 40 3HG2 THR 40 -2.573 -6.784 -3.640 306 H GLN 41 H GLN 41 -6.546 -5.620 -0.431 307 HA GLN 41 HA GLN 41 -8.892 -4.765 -1.975 308 1HB GLN 41 1HB GLN 41 -8.298 -7.049 -0.191 309 2HB GLN 41 2HB GLN 41 -9.918 -6.394 -0.110 310 1HG GLN 41 1HG GLN 41 -9.975 -6.636 -2.640 311 2HG GLN 41 2HG GLN 41 -8.517 -7.611 -2.460 312 2HE2 GLN 41 2HE2 GLN 41 -8.783 -9.704 -2.173 313 1HE2 GLN 41 1HE2 GLN 41 -10.234 -10.482 -1.651 314 H ALA 42 H ALA 42 -7.040 -3.605 0.441 315 HA ALA 42 HA ALA 42 -9.083 -2.914 2.339 316 1HB ALA 42 1HB ALA 42 -7.113 -1.368 3.147 317 2HB ALA 42 2HB ALA 42 -6.165 -2.427 2.104 318 3HB ALA 42 3HB ALA 42 -7.098 -3.107 3.436 319 H THR 43 H THR 43 -9.756 -0.857 2.886 320 HA THR 43 HA THR 43 -9.530 1.193 0.781 321 HB THR 43 HB THR 43 -11.786 1.635 0.784 322 HG1 THR 43 HG1 THR 43 -12.911 0.495 2.851 323 1HG2 THR 43 1HG2 THR 43 -11.526 -1.279 1.493 324 2HG2 THR 43 2HG2 THR 43 -13.065 -0.554 1.031 325 3HG2 THR 43 3HG2 THR 43 -11.715 -0.554 -0.102 326 H ASN 44 H ASN 44 -9.180 3.287 1.499 327 HA ASN 44 HA ASN 44 -9.133 3.680 4.419 328 1HB ASN 44 1HB ASN 44 -6.969 3.883 2.523 329 2HB ASN 44 2HB ASN 44 -7.251 5.444 3.288 330 2HD2 ASN 44 2HD2 ASN 44 -6.972 5.653 5.509 331 1HD2 ASN 44 1HD2 ASN 44 -6.097 4.487 6.436 332 H ARG 45 H ARG 45 -10.899 4.899 4.752 333 HA ARG 45 HA ARG 45 -11.740 6.935 2.911 334 1HB ARG 45 1HB ARG 45 -12.939 5.475 4.974 335 2HB ARG 45 2HB ARG 45 -12.940 7.140 5.538 336 1HG ARG 45 1HG ARG 45 -14.447 7.804 4.001 337 2HG ARG 45 2HG ARG 45 -13.810 6.730 2.754 338 1HD ARG 45 1HD ARG 45 -15.258 5.098 3.261 339 2HD ARG 45 2HD ARG 45 -15.039 5.320 4.996 340 HE ARG 45 HE ARG 45 -17.099 6.466 3.342 341 1HH1 ARG 45 1HH1 ARG 45 -15.318 6.741 6.324 342 2HH1 ARG 45 2HH1 ARG 45 -16.551 7.657 7.125 343 1HH2 ARG 45 1HH2 ARG 45 -18.726 7.672 4.388 344 2HH2 ARG 45 2HH2 ARG 45 -18.488 8.186 6.025 345 H ASN 46 H ASN 46 -11.024 8.945 2.821 346 HA ASN 46 HA ASN 46 -9.510 10.019 5.094 347 1HB ASN 46 1HB ASN 46 -9.620 11.327 2.399 348 2HB ASN 46 2HB ASN 46 -8.335 11.366 3.600 349 2HD2 ASN 46 2HD2 ASN 46 -9.701 9.693 0.929 350 1HD2 ASN 46 1HD2 ASN 46 -8.462 8.500 0.761 351 H THR 47 H THR 47 -9.660 12.540 5.151 352 HA THR 47 HA THR 47 -12.421 13.149 5.738 353 HB THR 47 HB THR 47 -11.511 15.335 6.543 354 HG1 THR 47 HG1 THR 47 -9.604 15.120 5.050 355 1HG2 THR 47 1HG2 THR 47 -10.221 12.818 7.599 356 2HG2 THR 47 2HG2 THR 47 -10.234 14.365 8.447 357 3HG2 THR 47 3HG2 THR 47 -11.750 13.526 8.118 358 H ASP 48 H ASP 48 -10.384 13.499 3.066 359 HA ASP 48 HA ASP 48 -11.461 15.947 2.037 360 1HB ASP 48 1HB ASP 48 -10.325 15.196 -0.092 361 2HB ASP 48 2HB ASP 48 -9.273 15.366 1.309 362 H GLY 49 H GLY 49 -12.748 12.910 2.379 363 1HA GLY 49 1HA GLY 49 -14.762 13.483 0.313 364 2HA GLY 49 2HA GLY 49 -15.015 12.483 1.736 365 H SER 50 H SER 50 -12.228 12.259 -0.391 366 HA SER 50 HA SER 50 -13.271 10.030 -1.870 367 1HB SER 50 1HB SER 50 -10.658 9.903 -2.443 368 2HB SER 50 2HB SER 50 -11.731 11.083 -3.196 369 HG SER 50 HG SER 50 -9.681 11.860 -2.204 370 H THR 51 H THR 51 -11.536 8.111 -2.043 371 HA THR 51 HA THR 51 -10.744 7.235 0.634 372 HB THR 51 HB THR 51 -12.256 5.294 -1.072 373 HG1 THR 51 HG1 THR 51 -13.378 7.245 0.676 374 1HG2 THR 51 1HG2 THR 51 -10.902 4.888 1.169 375 2HG2 THR 51 2HG2 THR 51 -12.412 5.438 1.894 376 3HG2 THR 51 3HG2 THR 51 -12.405 4.032 0.829 377 H ASP 52 H ASP 52 -9.535 5.118 0.525 378 HA ASP 52 HA ASP 52 -7.910 5.008 -1.935 379 1HB ASP 52 1HB ASP 52 -7.115 4.439 0.929 380 2HB ASP 52 2HB ASP 52 -6.075 4.182 -0.469 381 H TYR 53 H TYR 53 -9.181 3.457 -2.939 382 HA TYR 53 HA TYR 53 -9.558 0.916 -1.565 383 1HB TYR 53 1HB TYR 53 -10.483 1.722 -4.326 384 2HB TYR 53 2HB TYR 53 -10.984 0.301 -3.421 385 HD1 TYR 53 HD1 TYR 53 -12.245 0.697 -1.218 386 HD2 TYR 53 HD2 TYR 53 -11.695 3.706 -4.172 387 HE1 TYR 53 HE1 TYR 53 -14.149 1.946 -0.289 388 HE2 TYR 53 HE2 TYR 53 -13.599 4.964 -3.254 389 HH TYR 53 HH TYR 53 -15.365 3.800 -0.400 390 H GLY 54 H GLY 54 -7.170 0.426 -1.601 391 1HA GLY 54 1HA GLY 54 -5.949 0.007 -4.155 392 2HA GLY 54 2HA GLY 54 -6.539 -1.496 -3.467 393 H ILE 55 H ILE 55 -4.241 -2.085 -3.594 394 HA ILE 55 HA ILE 55 -2.983 -1.856 -1.048 395 HB ILE 55 HB ILE 55 -2.656 -3.809 -2.616 396 1HG1 ILE 55 1HG1 ILE 55 -0.041 -2.470 -1.907 397 2HG1 ILE 55 2HG1 ILE 55 -1.098 -3.202 -0.704 398 1HG2 ILE 55 1HG2 ILE 55 -1.005 -1.795 -4.133 399 2HG2 ILE 55 2HG2 ILE 55 -0.932 -3.537 -4.390 400 3HG2 ILE 55 3HG2 ILE 55 -2.428 -2.661 -4.708 401 1HD1 ILE 55 1HD1 ILE 55 -0.884 -5.356 -1.882 402 2HD1 ILE 55 2HD1 ILE 55 0.247 -4.601 -3.002 403 3HD1 ILE 55 3HD1 ILE 55 0.657 -4.734 -1.292 404 H LEU 56 H LEU 56 -2.945 -0.100 -3.996 405 HA LEU 56 HA LEU 56 -0.724 1.586 -3.068 406 1HB LEU 56 1HB LEU 56 -1.299 0.490 -5.622 407 2HB LEU 56 2HB LEU 56 -1.576 2.217 -5.741 408 HG LEU 56 HG LEU 56 0.665 1.936 -6.399 409 1HD1 LEU 56 1HD1 LEU 56 0.116 3.534 -4.351 410 2HD1 LEU 56 2HD1 LEU 56 1.266 2.465 -3.546 411 3HD1 LEU 56 3HD1 LEU 56 1.748 3.348 -4.995 412 1HD2 LEU 56 1HD2 LEU 56 0.639 -0.202 -4.368 413 2HD2 LEU 56 2HD2 LEU 56 1.443 -0.129 -5.936 414 3HD2 LEU 56 3HD2 LEU 56 2.157 0.678 -4.541 415 H GLN 57 H GLN 57 -3.877 1.384 -2.711 416 HA GLN 57 HA GLN 57 -5.490 2.828 -2.080 417 1HB GLN 57 1HB GLN 57 -3.383 4.954 -2.492 418 2HB GLN 57 2HB GLN 57 -4.929 5.190 -1.688 419 1HG GLN 57 1HG GLN 57 -4.145 3.311 -0.112 420 2HG GLN 57 2HG GLN 57 -2.542 3.648 -0.763 421 2HE2 GLN 57 2HE2 GLN 57 -2.289 6.225 -0.939 422 1HE2 GLN 57 1HE2 GLN 57 -2.558 7.029 0.567 423 H ILE 58 H ILE 58 -6.447 2.114 -4.225 424 HA ILE 58 HA ILE 58 -6.243 4.105 -6.320 425 HB ILE 58 HB ILE 58 -7.718 1.478 -6.148 426 1HG1 ILE 58 1HG1 ILE 58 -6.156 0.906 -8.026 427 2HG1 ILE 58 2HG1 ILE 58 -5.361 2.455 -7.775 428 1HG2 ILE 58 1HG2 ILE 58 -7.740 3.535 -8.350 429 2HG2 ILE 58 2HG2 ILE 58 -8.236 1.858 -8.572 430 3HG2 ILE 58 3HG2 ILE 58 -9.120 2.898 -7.456 431 1HD1 ILE 58 1HD1 ILE 58 -5.549 0.227 -5.763 432 2HD1 ILE 58 2HD1 ILE 58 -4.134 0.638 -6.733 433 3HD1 ILE 58 3HD1 ILE 58 -4.735 1.773 -5.524 434 H ASN 59 H ASN 59 -7.230 5.924 -5.606 435 HA ASN 59 HA ASN 59 -9.675 5.990 -4.208 436 1HB ASN 59 1HB ASN 59 -8.119 7.883 -4.192 437 2HB ASN 59 2HB ASN 59 -8.352 8.109 -5.924 438 2HD2 ASN 59 2HD2 ASN 59 -10.990 7.229 -3.844 439 1HD2 ASN 59 1HD2 ASN 59 -11.808 8.749 -3.901 440 H SER 60 H SER 60 -11.356 4.904 -5.142 441 HA SER 60 HA SER 60 -11.857 4.772 -7.899 442 1HB SER 60 1HB SER 60 -13.752 3.567 -7.347 443 2HB SER 60 2HB SER 60 -12.794 3.366 -5.881 444 HG SER 60 HG SER 60 -14.672 4.040 -5.087 445 H ARG 61 H ARG 61 -12.241 7.393 -5.789 446 HA ARG 61 HA ARG 61 -14.528 8.552 -7.125 447 1HB ARG 61 1HB ARG 61 -13.945 8.907 -4.684 448 2HB ARG 61 2HB ARG 61 -12.619 9.923 -5.231 449 1HG ARG 61 1HG ARG 61 -15.106 10.695 -6.475 450 2HG ARG 61 2HG ARG 61 -15.231 10.708 -4.715 451 1HD ARG 61 1HD ARG 61 -12.736 11.862 -5.639 452 2HD ARG 61 2HD ARG 61 -14.137 12.691 -6.317 453 HE ARG 61 HE ARG 61 -14.161 12.227 -3.447 454 1HH1 ARG 61 1HH1 ARG 61 -13.559 14.429 -6.079 455 2HH1 ARG 61 2HH1 ARG 61 -13.666 15.847 -5.087 456 1HH2 ARG 61 1HH2 ARG 61 -14.304 14.086 -2.134 457 2HH2 ARG 61 2HH2 ARG 61 -14.089 15.651 -2.846 458 H TRP 62 H TRP 62 -11.091 9.408 -6.803 459 HA TRP 62 HA TRP 62 -11.254 11.343 -8.935 460 1HB TRP 62 1HB TRP 62 -9.462 10.810 -6.817 461 2HB TRP 62 2HB TRP 62 -8.544 10.599 -8.303 462 HD1 TRP 62 HD1 TRP 62 -9.592 12.889 -10.097 463 HE1 TRP 62 HE1 TRP 62 -9.202 15.357 -9.478 464 HE3 TRP 62 HE3 TRP 62 -8.788 12.350 -5.077 465 HZ2 TRP 62 HZ2 TRP 62 -8.628 16.874 -7.168 466 HZ3 TRP 62 HZ3 TRP 62 -8.325 14.359 -3.734 467 HH2 TRP 62 HH2 TRP 62 -8.247 16.574 -4.759 468 H TRP 63 H TRP 63 -9.864 8.132 -8.473 469 HA TRP 63 HA TRP 63 -9.328 7.969 -11.357 470 1HB TRP 63 1HB TRP 63 -8.373 6.013 -9.263 471 2HB TRP 63 2HB TRP 63 -7.769 6.230 -10.902 472 HD1 TRP 63 HD1 TRP 63 -6.750 6.953 -7.513 473 HE1 TRP 63 HE1 TRP 63 -5.034 8.875 -7.437 474 HE3 TRP 63 HE3 TRP 63 -7.451 8.822 -12.192 475 HZ2 TRP 63 HZ2 TRP 63 -4.108 10.929 -9.159 476 HZ3 TRP 63 HZ3 TRP 63 -6.153 10.762 -12.911 477 HH2 TRP 63 HH2 TRP 63 -4.498 11.800 -11.428 478 H CYS 64 H CYS 64 -9.808 5.994 -12.442 479 HA CYS 64 HA CYS 64 -11.320 4.530 -13.250 480 1HB CYS 64 1HB CYS 64 -11.355 2.548 -12.084 481 2HB CYS 64 2HB CYS 64 -10.019 3.363 -11.285 482 H ASN 65 H ASN 65 -13.432 3.749 -13.383 483 HA ASN 65 HA ASN 65 -15.377 5.512 -12.066 484 1HB ASN 65 1HB ASN 65 -15.183 5.187 -14.650 485 2HB ASN 65 2HB ASN 65 -16.038 3.677 -14.349 486 2HD2 ASN 65 2HD2 ASN 65 -16.780 6.217 -15.738 487 1HD2 ASN 65 1HD2 ASN 65 -18.283 6.683 -15.026 488 H ASP 66 H ASP 66 -16.189 4.666 -10.260 489 HA ASP 66 HA ASP 66 -16.591 1.767 -10.094 490 1HB ASP 66 1HB ASP 66 -16.694 2.040 -7.706 491 2HB ASP 66 2HB ASP 66 -15.291 2.923 -8.302 492 H GLY 67 H GLY 67 -18.333 4.654 -10.565 493 1HA GLY 67 1HA GLY 67 -20.807 3.246 -10.752 494 2HA GLY 67 2HA GLY 67 -20.580 4.978 -10.938 495 H ARG 68 H ARG 68 -19.325 3.786 -8.017 496 HA ARG 68 HA ARG 68 -21.787 4.014 -6.520 497 1HB ARG 68 1HB ARG 68 -19.041 3.103 -6.002 498 2HB ARG 68 2HB ARG 68 -19.796 3.927 -4.644 499 1HG ARG 68 1HG ARG 68 -21.795 2.283 -5.306 500 2HG ARG 68 2HG ARG 68 -20.431 1.320 -5.878 501 1HD ARG 68 1HD ARG 68 -19.381 1.534 -3.662 502 2HD ARG 68 2HD ARG 68 -20.785 2.442 -3.100 503 HE ARG 68 HE ARG 68 -20.834 -0.393 -3.908 504 1HH1 ARG 68 1HH1 ARG 68 -22.084 2.290 -2.068 505 2HH1 ARG 68 2HH1 ARG 68 -23.237 1.328 -1.206 506 1HH2 ARG 68 1HH2 ARG 68 -22.351 -1.667 -2.778 507 2HH2 ARG 68 2HH2 ARG 68 -23.389 -0.920 -1.609 508 H THR 69 H THR 69 -19.719 6.208 -7.819 509 HA THR 69 HA THR 69 -20.522 8.247 -5.871 510 HB THR 69 HB THR 69 -17.778 8.412 -7.060 511 HG1 THR 69 HG1 THR 69 -18.616 6.791 -4.902 512 1HG2 THR 69 1HG2 THR 69 -19.230 9.569 -4.706 513 2HG2 THR 69 2HG2 THR 69 -17.467 9.527 -4.739 514 3HG2 THR 69 3HG2 THR 69 -18.352 10.398 -5.991 515 HA PRO 70 HA PRO 70 -21.849 10.083 -9.735 516 1HB PRO 70 1HB PRO 70 -22.284 12.461 -8.036 517 2HB PRO 70 2HB PRO 70 -23.431 11.577 -9.048 518 1HG PRO 70 1HG PRO 70 -23.520 11.410 -6.379 519 2HG PRO 70 2HG PRO 70 -23.876 10.009 -7.407 520 1HD PRO 70 1HD PRO 70 -21.382 10.657 -5.879 521 2HD PRO 70 2HD PRO 70 -22.200 9.094 -6.092 522 H GLY 71 H GLY 71 -19.318 11.102 -7.669 523 1HA GLY 71 1HA GLY 71 -17.765 12.864 -7.897 524 2HA GLY 71 2HA GLY 71 -18.497 13.278 -9.439 525 H SER 72 H SER 72 -18.167 10.030 -9.529 526 HA SER 72 HA SER 72 -15.500 9.433 -9.829 527 1HB SER 72 1HB SER 72 -17.730 7.994 -10.114 528 2HB SER 72 2HB SER 72 -17.377 8.256 -11.822 529 HG SER 72 HG SER 72 -16.404 6.355 -10.599 530 H ARG 73 H ARG 73 -14.147 10.789 -10.849 531 HA ARG 73 HA ARG 73 -14.782 12.176 -13.248 532 1HB ARG 73 1HB ARG 73 -12.155 11.676 -11.847 533 2HB ARG 73 2HB ARG 73 -12.318 12.695 -13.271 534 1HG ARG 73 1HG ARG 73 -14.249 13.532 -11.369 535 2HG ARG 73 2HG ARG 73 -12.693 13.382 -10.552 536 1HD ARG 73 1HD ARG 73 -11.979 14.610 -12.875 537 2HD ARG 73 2HD ARG 73 -13.580 15.291 -12.595 538 HE ARG 73 HE ARG 73 -11.306 15.487 -10.733 539 1HH1 ARG 73 1HH1 ARG 73 -14.363 16.628 -11.955 540 2HH1 ARG 73 2HH1 ARG 73 -14.368 18.056 -10.975 541 1HH2 ARG 73 1HH2 ARG 73 -11.304 17.365 -9.439 542 2HH2 ARG 73 2HH2 ARG 73 -12.629 18.475 -9.546 543 H ASN 74 H ASN 74 -12.969 9.231 -12.534 544 HA ASN 74 HA ASN 74 -12.363 7.456 -13.848 545 1HB ASN 74 1HB ASN 74 -14.704 8.103 -14.931 546 2HB ASN 74 2HB ASN 74 -13.685 8.608 -16.275 547 2HD2 ASN 74 2HD2 ASN 74 -14.540 6.993 -17.591 548 1HD2 ASN 74 1HD2 ASN 74 -14.095 5.334 -17.405 549 H LEU 75 H LEU 75 -10.729 9.680 -13.502 550 HA LEU 75 HA LEU 75 -9.525 10.770 -15.765 551 1HB LEU 75 1HB LEU 75 -8.890 10.245 -12.942 552 2HB LEU 75 2HB LEU 75 -7.509 10.495 -13.983 553 HG LEU 75 HG LEU 75 -9.845 12.408 -13.696 554 1HD1 LEU 75 1HD1 LEU 75 -8.437 12.068 -11.618 555 2HD1 LEU 75 2HD1 LEU 75 -7.106 12.788 -12.523 556 3HD1 LEU 75 3HD1 LEU 75 -8.571 13.721 -12.218 557 1HD2 LEU 75 1HD2 LEU 75 -7.985 12.253 -15.710 558 2HD2 LEU 75 2HD2 LEU 75 -8.909 13.690 -15.271 559 3HD2 LEU 75 3HD2 LEU 75 -7.285 13.454 -14.625 560 H CYS 76 H CYS 76 -8.890 7.982 -13.886 561 HA CYS 76 HA CYS 76 -6.663 7.046 -15.409 562 1HB CYS 76 1HB CYS 76 -7.603 6.759 -12.889 563 2HB CYS 76 2HB CYS 76 -8.085 5.230 -13.610 564 H ASN 77 H ASN 77 -10.094 6.548 -15.290 565 HA ASN 77 HA ASN 77 -11.552 5.255 -16.488 566 1HB ASN 77 1HB ASN 77 -9.939 6.596 -18.277 567 2HB ASN 77 2HB ASN 77 -9.791 4.926 -18.816 568 2HD2 ASN 77 2HD2 ASN 77 -11.648 7.712 -18.908 569 1HD2 ASN 77 1HD2 ASN 77 -13.069 7.051 -19.635 570 H ILE 78 H ILE 78 -10.400 3.755 -14.732 571 HA ILE 78 HA ILE 78 -9.606 1.330 -16.175 572 HB ILE 78 HB ILE 78 -7.849 0.913 -14.841 573 1HG1 ILE 78 1HG1 ILE 78 -9.698 1.784 -12.703 574 2HG1 ILE 78 2HG1 ILE 78 -8.608 0.405 -12.753 575 1HG2 ILE 78 1HG2 ILE 78 -7.509 3.182 -15.696 576 2HG2 ILE 78 2HG2 ILE 78 -8.200 3.835 -14.211 577 3HG2 ILE 78 3HG2 ILE 78 -6.690 2.926 -14.156 578 1HD1 ILE 78 1HD1 ILE 78 -6.736 2.074 -12.361 579 2HD1 ILE 78 2HD1 ILE 78 -8.005 3.234 -11.972 580 3HD1 ILE 78 3HD1 ILE 78 -7.832 1.763 -11.015 581 HA PRO 79 HA PRO 79 -12.812 -0.700 -13.873 582 1HB PRO 79 1HB PRO 79 -11.439 -3.230 -13.858 583 2HB PRO 79 2HB PRO 79 -12.750 -2.716 -14.918 584 1HG PRO 79 1HG PRO 79 -10.170 -3.193 -15.754 585 2HG PRO 79 2HG PRO 79 -11.326 -2.154 -16.606 586 1HD PRO 79 1HD PRO 79 -9.079 -1.399 -14.783 587 2HD PRO 79 2HD PRO 79 -9.653 -0.598 -16.262 588 H CYS 80 H CYS 80 -12.862 -0.069 -11.766 589 HA CYS 80 HA CYS 80 -10.742 -0.206 -9.971 590 1HB CYS 80 1HB CYS 80 -13.566 -0.331 -8.992 591 2HB CYS 80 2HB CYS 80 -12.212 0.616 -8.382 592 H SER 81 H SER 81 -13.624 -2.334 -10.038 593 HA SER 81 HA SER 81 -12.789 -4.089 -8.056 594 1HB SER 81 1HB SER 81 -14.260 -5.758 -9.523 595 2HB SER 81 2HB SER 81 -14.986 -4.447 -8.594 596 HG SER 81 HG SER 81 -15.622 -4.658 -10.883 597 H ALA 82 H ALA 82 -11.666 -3.839 -11.330 598 HA ALA 82 HA ALA 82 -10.663 -6.497 -11.571 599 1HB ALA 82 1HB ALA 82 -11.149 -4.789 -13.432 600 2HB ALA 82 2HB ALA 82 -9.740 -5.837 -13.599 601 3HB ALA 82 3HB ALA 82 -9.538 -4.165 -13.075 602 H LEU 83 H LEU 83 -9.682 -3.901 -9.723 603 HA LEU 83 HA LEU 83 -6.873 -4.764 -9.664 604 1HB LEU 83 1HB LEU 83 -6.270 -2.682 -8.923 605 2HB LEU 83 2HB LEU 83 -7.669 -2.282 -9.900 606 HG LEU 83 HG LEU 83 -8.817 -2.650 -7.449 607 1HD1 LEU 83 1HD1 LEU 83 -6.067 -2.457 -6.926 608 2HD1 LEU 83 2HD1 LEU 83 -6.764 -0.897 -6.489 609 3HD1 LEU 83 3HD1 LEU 83 -7.396 -2.377 -5.769 610 1HD2 LEU 83 1HD2 LEU 83 -9.048 -0.784 -9.139 611 2HD2 LEU 83 2HD2 LEU 83 -9.139 -0.309 -7.443 612 3HD2 LEU 83 3HD2 LEU 83 -7.659 -0.027 -8.359 613 H LEU 84 H LEU 84 -9.763 -5.219 -8.062 614 HA LEU 84 HA LEU 84 -8.424 -5.828 -5.519 615 1HB LEU 84 1HB LEU 84 -11.387 -5.719 -5.766 616 2HB LEU 84 2HB LEU 84 -10.363 -5.294 -4.407 617 HG LEU 84 HG LEU 84 -10.210 -3.612 -6.856 618 1HD1 LEU 84 1HD1 LEU 84 -12.611 -3.895 -6.510 619 2HD1 LEU 84 2HD1 LEU 84 -12.429 -3.399 -4.827 620 3HD1 LEU 84 3HD1 LEU 84 -12.091 -2.254 -6.126 621 1HD2 LEU 84 1HD2 LEU 84 -8.712 -3.237 -4.948 622 2HD2 LEU 84 2HD2 LEU 84 -9.779 -1.861 -5.232 623 3HD2 LEU 84 3HD2 LEU 84 -10.114 -2.978 -3.909 624 H SER 85 H SER 85 -8.168 -7.607 -7.657 625 HA SER 85 HA SER 85 -9.733 -9.880 -6.651 626 1HB SER 85 1HB SER 85 -9.932 -8.860 -9.223 627 2HB SER 85 2HB SER 85 -8.826 -10.222 -9.408 628 HG SER 85 HG SER 85 -11.445 -10.253 -8.321 629 H SER 86 H SER 86 -7.294 -8.991 -5.755 630 HA SER 86 HA SER 86 -5.310 -9.827 -4.995 631 1HB SER 86 1HB SER 86 -5.871 -12.333 -6.598 632 2HB SER 86 2HB SER 86 -4.820 -12.166 -5.193 633 HG SER 86 HG SER 86 -7.570 -12.438 -5.334 634 H ASP 87 H ASP 87 -5.935 -8.542 -7.573 635 HA ASP 87 HA ASP 87 -3.454 -9.142 -9.028 636 1HB ASP 87 1HB ASP 87 -5.676 -9.793 -10.066 637 2HB ASP 87 2HB ASP 87 -6.025 -8.074 -10.165 638 H ILE 88 H ILE 88 -2.039 -7.475 -8.860 639 HA ILE 88 HA ILE 88 -3.025 -4.840 -8.162 640 HB ILE 88 HB ILE 88 -0.421 -4.374 -8.449 641 1HG1 ILE 88 1HG1 ILE 88 -0.209 -7.160 -7.426 642 2HG1 ILE 88 2HG1 ILE 88 -0.347 -6.949 -9.169 643 1HG2 ILE 88 1HG2 ILE 88 -1.801 -5.708 -6.136 644 2HG2 ILE 88 2HG2 ILE 88 -0.178 -5.025 -6.034 645 3HG2 ILE 88 3HG2 ILE 88 -1.551 -3.984 -6.408 646 1HD1 ILE 88 1HD1 ILE 88 1.605 -5.165 -7.957 647 2HD1 ILE 88 2HD1 ILE 88 1.971 -6.874 -7.719 648 3HD1 ILE 88 3HD1 ILE 88 1.754 -6.238 -9.349 649 H THR 89 H THR 89 -2.561 -6.513 -11.001 650 HA THR 89 HA THR 89 -1.253 -4.870 -12.743 651 HB THR 89 HB THR 89 -3.879 -6.161 -13.472 652 HG1 THR 89 HG1 THR 89 -1.347 -7.325 -12.951 653 1HG2 THR 89 1HG2 THR 89 -2.542 -4.690 -15.096 654 2HG2 THR 89 2HG2 THR 89 -1.363 -6.002 -15.109 655 3HG2 THR 89 3HG2 THR 89 -3.016 -6.295 -15.651 656 H ALA 90 H ALA 90 -4.760 -4.673 -12.056 657 HA ALA 90 HA ALA 90 -5.181 -2.362 -13.530 658 1HB ALA 90 1HB ALA 90 -6.716 -3.920 -11.563 659 2HB ALA 90 2HB ALA 90 -7.218 -2.247 -11.805 660 3HB ALA 90 3HB ALA 90 -7.169 -3.360 -13.173 661 H SER 91 H SER 91 -4.586 -2.819 -10.062 662 HA SER 91 HA SER 91 -4.867 -0.132 -9.281 663 1HB SER 91 1HB SER 91 -2.902 -1.358 -7.641 664 2HB SER 91 2HB SER 91 -4.611 -1.118 -7.285 665 HG SER 91 HG SER 91 -5.043 -3.133 -7.882 666 H VAL 92 H VAL 92 -2.170 -1.916 -10.558 667 HA VAL 92 HA VAL 92 -0.298 0.185 -10.073 668 HB VAL 92 HB VAL 92 -0.063 -2.258 -11.827 669 1HG1 VAL 92 1HG1 VAL 92 1.928 -0.046 -11.311 670 2HG1 VAL 92 2HG1 VAL 92 2.370 -1.622 -11.968 671 3HG1 VAL 92 3HG1 VAL 92 1.278 -0.567 -12.866 672 1HG2 VAL 92 1HG2 VAL 92 0.281 -1.806 -9.050 673 2HG2 VAL 92 2HG2 VAL 92 0.596 -3.281 -9.965 674 3HG2 VAL 92 3HG2 VAL 92 1.877 -2.088 -9.748 675 H ASN 93 H ASN 93 -1.965 -1.000 -12.992 676 HA ASN 93 HA ASN 93 -0.926 0.621 -14.845 677 1HB ASN 93 1HB ASN 93 -2.478 -0.409 -16.030 678 2HB ASN 93 2HB ASN 93 -3.267 -0.895 -14.550 679 2HD2 ASN 93 2HD2 ASN 93 -5.187 -0.036 -14.043 680 1HD2 ASN 93 1HD2 ASN 93 -5.959 1.238 -14.918 681 H CYS 94 H CYS 94 -3.369 1.416 -12.476 682 HA CYS 94 HA CYS 94 -3.877 4.039 -13.381 683 1HB CYS 94 1HB CYS 94 -5.131 2.509 -11.618 684 2HB CYS 94 2HB CYS 94 -4.109 3.383 -10.479 685 H ALA 95 H ALA 95 -1.724 2.789 -10.812 686 HA ALA 95 HA ALA 95 -0.713 5.376 -10.169 687 1HB ALA 95 1HB ALA 95 -0.630 3.431 -8.644 688 2HB ALA 95 2HB ALA 95 0.671 2.775 -9.640 689 3HB ALA 95 3HB ALA 95 0.888 4.314 -8.804 690 H LYS 96 H LYS 96 0.373 2.830 -12.356 691 HA LYS 96 HA LYS 96 2.878 3.743 -13.036 692 1HB LYS 96 1HB LYS 96 1.561 1.683 -13.919 693 2HB LYS 96 2HB LYS 96 0.934 2.789 -15.133 694 1HG LYS 96 1HG LYS 96 3.515 3.312 -15.444 695 2HG LYS 96 2HG LYS 96 3.657 1.674 -14.805 696 1HD LYS 96 1HD LYS 96 3.435 1.123 -16.991 697 2HD LYS 96 2HD LYS 96 1.718 1.276 -16.615 698 1HE LYS 96 1HE LYS 96 1.489 3.012 -17.991 699 2HE LYS 96 2HE LYS 96 2.885 3.832 -17.293 700 1HZ LYS 96 1HZ LYS 96 4.247 2.219 -18.691 701 2HZ LYS 96 2HZ LYS 96 2.815 1.913 -19.537 702 3HZ LYS 96 3HZ LYS 96 3.459 3.476 -19.505 703 H LYS 97 H LYS 97 -0.296 4.758 -13.866 704 HA LYS 97 HA LYS 97 0.507 6.857 -15.697 705 1HB LYS 97 1HB LYS 97 -1.706 5.526 -15.764 706 2HB LYS 97 2HB LYS 97 -2.223 6.580 -14.456 707 1HG LYS 97 1HG LYS 97 -1.771 8.530 -15.924 708 2HG LYS 97 2HG LYS 97 -1.423 7.405 -17.237 709 1HD LYS 97 1HD LYS 97 -3.938 6.781 -15.956 710 2HD LYS 97 2HD LYS 97 -3.909 8.448 -16.534 711 1HE LYS 97 1HE LYS 97 -4.409 7.641 -18.549 712 2HE LYS 97 2HE LYS 97 -2.770 6.996 -18.601 713 1HZ LYS 97 1HZ LYS 97 -3.628 4.951 -17.565 714 2HZ LYS 97 2HZ LYS 97 -5.198 5.573 -17.654 715 3HZ LYS 97 3HZ LYS 97 -4.333 5.258 -19.073 716 H ILE 98 H ILE 98 -0.394 6.485 -12.333 717 HA ILE 98 HA ILE 98 -0.776 9.175 -11.683 718 HB ILE 98 HB ILE 98 0.168 6.904 -9.959 719 1HG1 ILE 98 1HG1 ILE 98 -2.504 8.325 -10.094 720 2HG1 ILE 98 2HG1 ILE 98 -2.154 6.803 -10.905 721 1HG2 ILE 98 1HG2 ILE 98 -0.460 9.759 -9.259 722 2HG2 ILE 98 2HG2 ILE 98 -0.558 8.457 -8.074 723 3HG2 ILE 98 3HG2 ILE 98 0.979 8.820 -8.859 724 1HD1 ILE 98 1HD1 ILE 98 -1.754 7.050 -7.959 725 2HD1 ILE 98 2HD1 ILE 98 -3.367 6.794 -8.624 726 3HD1 ILE 98 3HD1 ILE 98 -2.089 5.617 -8.931 727 H VAL 99 H VAL 99 2.091 7.144 -11.446 728 HA VAL 99 HA VAL 99 3.816 9.268 -10.659 729 HB VAL 99 HB VAL 99 4.090 6.745 -10.218 730 1HG1 VAL 99 1HG1 VAL 99 4.017 6.079 -12.596 731 2HG1 VAL 99 2HG1 VAL 99 5.538 6.931 -12.855 732 3HG1 VAL 99 3HG1 VAL 99 5.481 5.537 -11.778 733 1HG2 VAL 99 1HG2 VAL 99 6.218 8.736 -10.839 734 2HG2 VAL 99 2HG2 VAL 99 5.714 8.074 -9.284 735 3HG2 VAL 99 3HG2 VAL 99 6.672 7.092 -10.392 736 H SER 100 H SER 100 2.729 8.032 -13.705 737 HA SER 100 HA SER 100 4.915 9.236 -15.190 738 1HB SER 100 1HB SER 100 3.848 7.132 -15.978 739 2HB SER 100 2HB SER 100 2.339 8.011 -16.214 740 HG SER 100 HG SER 100 4.424 9.254 -17.424 741 H ASP 101 H ASP 101 2.110 10.269 -13.739 742 HA ASP 101 HA ASP 101 1.568 12.393 -15.675 743 1HB ASP 101 1HB ASP 101 0.057 11.100 -13.500 744 2HB ASP 101 2HB ASP 101 -0.179 12.840 -13.630 745 H GLY 102 H GLY 102 3.589 11.908 -13.099 746 1HA GLY 102 1HA GLY 102 3.638 14.804 -12.514 747 2HA GLY 102 2HA GLY 102 5.070 13.790 -12.576 748 H ASN 103 H ASN 103 2.608 12.080 -11.117 749 HA ASN 103 HA ASN 103 3.181 13.109 -8.438 750 1HB ASN 103 1HB ASN 103 1.197 10.957 -9.180 751 2HB ASN 103 2HB ASN 103 1.263 11.892 -7.690 752 2HD2 ASN 103 2HD2 ASN 103 -0.453 11.523 -10.376 753 1HD2 ASN 103 1HD2 ASN 103 -1.053 13.127 -10.602 754 H GLY 104 H GLY 104 5.142 12.309 -7.848 755 1HA GLY 104 1HA GLY 104 6.787 10.763 -7.353 756 2HA GLY 104 2HA GLY 104 5.953 9.613 -8.386 757 H MET 105 H MET 105 7.190 9.321 -5.694 758 HA MET 105 HA MET 105 5.117 7.732 -4.512 759 1HB MET 105 1HB MET 105 7.630 8.360 -3.036 760 2HB MET 105 2HB MET 105 6.775 6.831 -3.189 761 1HG MET 105 1HG MET 105 8.454 8.131 -5.321 762 2HG MET 105 2HG MET 105 8.937 6.775 -4.305 763 1HE MET 105 1HE MET 105 6.823 5.076 -3.909 764 2HE MET 105 2HE MET 105 5.383 5.536 -4.817 765 3HE MET 105 3HE MET 105 6.302 4.107 -5.288 766 H ASN 106 H ASN 106 5.873 10.937 -4.485 767 HA ASN 106 HA ASN 106 5.433 11.594 -1.754 768 1HB ASN 106 1HB ASN 106 4.963 13.574 -3.933 769 2HB ASN 106 2HB ASN 106 5.826 13.753 -2.413 770 2HD2 ASN 106 2HD2 ASN 106 6.283 13.856 -5.569 771 1HD2 ASN 106 1HD2 ASN 106 7.907 13.279 -5.685 772 H ALA 107 H ALA 107 3.398 11.229 -4.585 773 HA ALA 107 HA ALA 107 1.126 12.613 -3.839 774 1HB ALA 107 1HB ALA 107 1.806 10.732 -5.810 775 2HB ALA 107 2HB ALA 107 0.345 11.719 -5.718 776 3HB ALA 107 3HB ALA 107 0.366 10.104 -5.009 777 H TRP 108 H TRP 108 2.045 9.296 -3.017 778 HA TRP 108 HA TRP 108 -0.251 8.916 -1.329 779 1HB TRP 108 1HB TRP 108 2.241 7.224 -1.653 780 2HB TRP 108 2HB TRP 108 0.768 6.734 -0.816 781 HD1 TRP 108 HD1 TRP 108 -1.435 6.328 -2.370 782 HE1 TRP 108 HE1 TRP 108 -1.645 5.656 -4.846 783 HE3 TRP 108 HE3 TRP 108 3.307 7.441 -3.918 784 HZ2 TRP 108 HZ2 TRP 108 -0.015 5.607 -7.162 785 HZ3 TRP 108 HZ3 TRP 108 3.900 7.057 -6.272 786 HH2 TRP 108 HH2 TRP 108 2.276 6.156 -7.857 787 H VAL 109 H VAL 109 -0.433 9.336 0.753 788 HA VAL 109 HA VAL 109 1.556 10.834 2.115 789 HB VAL 109 HB VAL 109 -0.565 9.763 3.736 790 1HG1 VAL 109 1HG1 VAL 109 0.973 11.653 4.308 791 2HG1 VAL 109 2HG1 VAL 109 0.118 12.613 3.101 792 3HG1 VAL 109 3HG1 VAL 109 -0.744 11.999 4.512 793 1HG2 VAL 109 1HG2 VAL 109 -1.689 9.850 1.534 794 2HG2 VAL 109 2HG2 VAL 109 -2.378 10.974 2.705 795 3HG2 VAL 109 3HG2 VAL 109 -1.296 11.567 1.445 796 H ALA 110 H ALA 110 0.763 7.452 2.140 797 HA ALA 110 HA ALA 110 1.862 6.883 4.700 798 1HB ALA 110 1HB ALA 110 0.664 5.404 2.548 799 2HB ALA 110 2HB ALA 110 0.818 4.974 4.251 800 3HB ALA 110 3HB ALA 110 2.114 4.582 3.123 801 H TRP 111 H TRP 111 3.189 7.405 1.576 802 HA TRP 111 HA TRP 111 5.749 6.224 2.262 803 1HB TRP 111 1HB TRP 111 4.998 6.027 -0.048 804 2HB TRP 111 2HB TRP 111 4.898 7.773 -0.195 805 HD1 TRP 111 HD1 TRP 111 7.323 4.902 -0.423 806 HE1 TRP 111 HE1 TRP 111 9.632 5.778 -1.148 807 HE3 TRP 111 HE3 TRP 111 6.473 9.923 0.047 808 HZ2 TRP 111 HZ2 TRP 111 10.922 8.266 -1.475 809 HZ3 TRP 111 HZ3 TRP 111 8.298 11.482 -0.491 810 HH2 TRP 111 HH2 TRP 111 10.476 10.669 -1.236 811 H ARG 112 H ARG 112 4.268 9.437 2.011 812 HA ARG 112 HA ARG 112 6.795 10.709 2.719 813 1HB ARG 112 1HB ARG 112 4.310 11.509 1.451 814 2HB ARG 112 2HB ARG 112 4.807 12.632 2.707 815 1HG ARG 112 1HG ARG 112 7.074 12.675 1.583 816 2HG ARG 112 2HG ARG 112 6.309 11.834 0.233 817 1HD ARG 112 1HD ARG 112 5.456 13.735 -0.535 818 2HD ARG 112 2HD ARG 112 4.706 14.077 1.023 819 HE ARG 112 HE ARG 112 7.494 14.803 0.392 820 1HH1 ARG 112 1HH1 ARG 112 4.376 15.520 1.772 821 2HH1 ARG 112 2HH1 ARG 112 4.857 17.069 2.378 822 1HH2 ARG 112 1HH2 ARG 112 8.136 16.841 1.187 823 2HH2 ARG 112 2HH2 ARG 112 6.994 17.820 2.046 824 H ASN 113 H ASN 113 5.905 9.042 4.693 825 HA ASN 113 HA ASN 113 5.510 10.915 6.859 826 1HB ASN 113 1HB ASN 113 3.199 10.079 5.901 827 2HB ASN 113 2HB ASN 113 3.568 8.643 6.851 828 2HD2 ASN 113 2HD2 ASN 113 2.833 8.651 8.839 829 1HD2 ASN 113 1HD2 ASN 113 2.483 10.047 9.794 830 H ARG 114 H ARG 114 5.164 7.421 6.302 831 HA ARG 114 HA ARG 114 6.934 6.942 8.587 832 1HB ARG 114 1HB ARG 114 4.748 5.431 7.268 833 2HB ARG 114 2HB ARG 114 6.055 4.495 7.971 834 1HG ARG 114 1HG ARG 114 4.739 6.628 9.586 835 2HG ARG 114 2HG ARG 114 3.945 5.066 9.378 836 1HD ARG 114 1HD ARG 114 5.827 3.919 10.332 837 2HD ARG 114 2HD ARG 114 6.765 5.412 10.384 838 HE ARG 114 HE ARG 114 4.507 4.720 12.125 839 1HH1 ARG 114 1HH1 ARG 114 7.147 6.836 11.293 840 2HH1 ARG 114 2HH1 ARG 114 7.106 7.692 12.798 841 1HH2 ARG 114 1HH2 ARG 114 4.444 5.842 14.109 842 2HH2 ARG 114 2HH2 ARG 114 5.570 7.126 14.399 843 H CYS 115 H CYS 115 7.172 7.230 5.317 844 HA CYS 115 HA CYS 115 9.303 5.207 5.149 845 1HB CYS 115 1HB CYS 115 7.433 4.896 3.563 846 2HB CYS 115 2HB CYS 115 7.774 6.483 2.880 847 H LYS 116 H LYS 116 8.472 8.519 4.129 848 HA LYS 116 HA LYS 116 10.923 9.188 3.000 849 1HB LYS 116 1HB LYS 116 8.838 10.535 2.830 850 2HB LYS 116 2HB LYS 116 9.060 11.034 4.501 851 1HG LYS 116 1HG LYS 116 10.505 12.620 3.931 852 2HG LYS 116 2HG LYS 116 11.432 11.515 2.914 853 1HD LYS 116 1HD LYS 116 9.111 11.922 1.476 854 2HD LYS 116 2HD LYS 116 9.441 13.506 2.178 855 1HE LYS 116 1HE LYS 116 11.905 12.500 1.259 856 2HE LYS 116 2HE LYS 116 10.730 12.193 -0.018 857 1HZ LYS 116 1HZ LYS 116 10.330 14.786 0.981 858 2HZ LYS 116 2HZ LYS 116 11.973 14.603 0.624 859 3HZ LYS 116 3HZ LYS 116 10.811 14.319 -0.573 860 H GLY 117 H GLY 117 12.691 8.505 4.168 861 1HA GLY 117 1HA GLY 117 13.006 9.638 6.869 862 2HA GLY 117 2HA GLY 117 14.253 9.881 5.658 863 H THR 118 H THR 118 13.154 6.896 4.952 864 HA THR 118 HA THR 118 15.010 5.608 6.842 865 HB THR 118 HB THR 118 13.708 3.544 6.582 866 HG1 THR 118 HG1 THR 118 12.130 3.395 5.153 867 1HG2 THR 118 1HG2 THR 118 13.136 5.077 8.408 868 2HG2 THR 118 2HG2 THR 118 11.992 5.908 7.354 869 3HG2 THR 118 3HG2 THR 118 11.707 4.229 7.815 870 H ASP 119 H ASP 119 14.680 3.079 5.264 871 HA ASP 119 HA ASP 119 16.146 3.787 2.837 872 1HB ASP 119 1HB ASP 119 17.536 3.007 4.896 873 2HB ASP 119 2HB ASP 119 17.017 1.435 4.330 874 H VAL 120 H VAL 120 14.873 3.117 1.239 875 HA VAL 120 HA VAL 120 13.127 0.866 1.484 876 HB VAL 120 HB VAL 120 12.546 1.305 -0.861 877 1HG1 VAL 120 1HG1 VAL 120 12.058 2.937 1.317 878 2HG1 VAL 120 2HG1 VAL 120 12.522 4.062 0.041 879 3HG1 VAL 120 3HG1 VAL 120 11.181 2.944 -0.213 880 1HG2 VAL 120 1HG2 VAL 120 14.876 3.191 -0.701 881 2HG2 VAL 120 2HG2 VAL 120 14.552 1.933 -1.893 882 3HG2 VAL 120 3HG2 VAL 120 13.587 3.409 -1.884 883 H GLN 121 H GLN 121 16.290 1.494 0.146 884 HA GLN 121 HA GLN 121 16.555 -0.743 -1.520 885 1HB GLN 121 1HB GLN 121 18.143 1.248 -1.278 886 2HB GLN 121 2HB GLN 121 18.795 0.425 0.132 887 1HG GLN 121 1HG GLN 121 20.199 -0.582 -1.251 888 2HG GLN 121 2HG GLN 121 18.821 -1.518 -1.827 889 2HE2 GLN 121 2HE2 GLN 121 17.445 -0.151 -3.452 890 1HE2 GLN 121 1HE2 GLN 121 18.358 0.573 -4.727 891 H ALA 122 H ALA 122 16.540 -0.375 1.897 892 HA ALA 122 HA ALA 122 17.645 -3.021 2.393 893 1HB ALA 122 1HB ALA 122 17.078 -0.626 4.010 894 2HB ALA 122 2HB ALA 122 16.814 -2.170 4.822 895 3HB ALA 122 3HB ALA 122 18.393 -1.796 4.131 896 H TRP 123 H TRP 123 14.608 -1.467 1.963 897 HA TRP 123 HA TRP 123 12.966 -3.195 3.490 898 1HB TRP 123 1HB TRP 123 12.531 -1.269 1.267 899 2HB TRP 123 2HB TRP 123 11.268 -2.460 1.559 900 HD1 TRP 123 HD1 TRP 123 11.512 0.889 2.217 901 HE1 TRP 123 HE1 TRP 123 10.583 1.614 4.505 902 HE3 TRP 123 HE3 TRP 123 11.490 -3.621 4.594 903 HZ2 TRP 123 HZ2 TRP 123 9.940 0.399 6.960 904 HZ3 TRP 123 HZ3 TRP 123 10.707 -3.762 6.901 905 HH2 TRP 123 HH2 TRP 123 9.939 -1.769 8.073 906 H ILE 124 H ILE 124 14.689 -3.672 0.587 907 HA ILE 124 HA ILE 124 13.260 -6.211 0.146 908 HB ILE 124 HB ILE 124 13.933 -5.993 -2.275 909 1HG1 ILE 124 1HG1 ILE 124 14.052 -3.040 -1.896 910 2HG1 ILE 124 2HG1 ILE 124 15.501 -3.969 -1.522 911 1HG2 ILE 124 1HG2 ILE 124 11.748 -4.860 -0.850 912 2HG2 ILE 124 2HG2 ILE 124 12.134 -3.812 -2.216 913 3HG2 ILE 124 3HG2 ILE 124 11.779 -5.518 -2.486 914 1HD1 ILE 124 1HD1 ILE 124 14.748 -4.973 -3.959 915 2HD1 ILE 124 2HD1 ILE 124 14.344 -3.261 -4.090 916 3HD1 ILE 124 3HD1 ILE 124 15.988 -3.751 -3.679 917 H ARG 125 H ARG 125 15.884 -5.131 1.463 918 HA ARG 125 HA ARG 125 18.039 -6.322 0.078 919 1HB ARG 125 1HB ARG 125 18.070 -4.589 1.997 920 2HB ARG 125 2HB ARG 125 17.971 -5.984 3.064 921 1HG ARG 125 1HG ARG 125 20.044 -6.849 2.217 922 2HG ARG 125 2HG ARG 125 20.117 -5.581 0.992 923 1HD ARG 125 1HD ARG 125 19.825 -4.212 3.389 924 2HD ARG 125 2HD ARG 125 20.937 -5.526 3.770 925 HE ARG 125 HE ARG 125 21.943 -4.515 1.474 926 1HH1 ARG 125 1HH1 ARG 125 21.020 -3.083 4.513 927 2HH1 ARG 125 2HH1 ARG 125 22.189 -1.808 4.415 928 1HH2 ARG 125 1HH2 ARG 125 23.485 -2.840 1.336 929 2HH2 ARG 125 2HH2 ARG 125 23.590 -1.670 2.609 930 H GLY 126 H GLY 126 17.554 -8.418 -0.528 931 1HA GLY 126 1HA GLY 126 17.301 -10.345 1.699 932 2HA GLY 126 2HA GLY 126 18.291 -10.646 0.280 933 H CYS 127 H CYS 127 15.609 -9.055 -0.778 934 HA CYS 127 HA CYS 127 13.626 -11.028 -0.750 935 1HB CYS 127 1HB CYS 127 14.095 -8.536 -2.178 936 2HB CYS 127 2HB CYS 127 12.941 -9.631 -2.911 937 H ARG 128 H ARG 128 12.713 -11.544 -3.188 938 HA ARG 128 HA ARG 128 14.893 -12.663 -4.782 939 1HB ARG 128 1HB ARG 128 13.016 -14.204 -3.155 940 2HB ARG 128 2HB ARG 128 13.021 -14.696 -4.844 941 1HG ARG 128 1HG ARG 128 15.707 -14.344 -3.838 942 2HG ARG 128 2HG ARG 128 14.790 -15.499 -2.869 943 1HD ARG 128 1HD ARG 128 14.896 -15.616 -5.872 944 2HD ARG 128 2HD ARG 128 16.071 -16.439 -4.846 945 HE ARG 128 HE ARG 128 13.906 -17.465 -3.837 946 1HH1 ARG 128 1HH1 ARG 128 14.503 -16.737 -7.191 947 2HH1 ARG 128 2HH1 ARG 128 13.467 -17.993 -7.782 948 1HH2 ARG 128 1HH2 ARG 128 12.540 -19.121 -4.605 949 2HH2 ARG 128 2HH2 ARG 128 12.351 -19.348 -6.311 950 H LEU 129 H LEU 129 14.401 -11.193 -6.404 951 HA LEU 129 HA LEU 129 11.969 -11.826 -7.913 952 1HB LEU 129 1HB LEU 129 11.729 -9.377 -8.433 953 2HB LEU 129 2HB LEU 129 11.321 -9.845 -6.794 954 HG LEU 129 HG LEU 129 14.049 -9.131 -6.751 955 1HD1 LEU 129 1HD1 LEU 129 12.354 -7.268 -8.385 956 2HD1 LEU 129 2HD1 LEU 129 13.780 -6.723 -7.502 957 3HD1 LEU 129 3HD1 LEU 129 13.939 -7.935 -8.772 958 1HD2 LEU 129 1HD2 LEU 129 11.968 -8.841 -5.140 959 2HD2 LEU 129 2HD2 LEU 129 13.389 -7.803 -5.020 960 3HD2 LEU 129 3HD2 LEU 129 11.949 -7.231 -5.860 No H/Q in entry = 960 Start of MODEL 28 1 H1 LYS 1 H1 LYS 1 -7.072 -8.379 1.057 2 H2 LYS 1 H2 LYS 1 -7.815 -9.436 -0.036 3 H3 LYS 1 H3 LYS 1 -7.784 -9.809 1.613 4 HA LYS 1 HA LYS 1 -5.854 -10.827 1.433 5 1HB LYS 1 1HB LYS 1 -6.788 -10.397 -1.300 6 2HB LYS 1 2HB LYS 1 -5.049 -10.634 -1.212 7 1HG LYS 1 1HG LYS 1 -5.239 -12.789 -0.455 8 2HG LYS 1 2HG LYS 1 -6.832 -12.514 0.254 9 1HD LYS 1 1HD LYS 1 -6.489 -12.327 -2.707 10 2HD LYS 1 2HD LYS 1 -6.578 -13.916 -1.944 11 1HE LYS 1 1HE LYS 1 -8.685 -12.948 -0.775 12 2HE LYS 1 2HE LYS 1 -8.646 -11.757 -2.074 13 1HZ LYS 1 1HZ LYS 1 -8.342 -14.119 -3.373 14 2HZ LYS 1 2HZ LYS 1 -9.439 -14.513 -2.148 15 3HZ LYS 1 3HZ LYS 1 -9.792 -13.259 -3.227 16 H VAL 2 H VAL 2 -3.906 -10.244 2.120 17 HA VAL 2 HA VAL 2 -2.793 -7.688 1.168 18 HB VAL 2 HB VAL 2 -2.361 -9.121 3.793 19 1HG1 VAL 2 1HG1 VAL 2 -0.435 -7.694 2.557 20 2HG1 VAL 2 2HG1 VAL 2 -1.286 -6.401 3.401 21 3HG1 VAL 2 3HG1 VAL 2 -0.626 -7.760 4.310 22 1HG2 VAL 2 1HG2 VAL 2 -4.385 -7.426 3.040 23 2HG2 VAL 2 2HG2 VAL 2 -3.866 -7.738 4.697 24 3HG2 VAL 2 3HG2 VAL 2 -3.235 -6.342 3.822 25 H PHE 3 H PHE 3 -0.900 -7.703 0.081 26 HA PHE 3 HA PHE 3 0.410 -10.212 -0.456 27 1HB PHE 3 1HB PHE 3 1.202 -7.390 -1.217 28 2HB PHE 3 2HB PHE 3 1.951 -8.855 -1.831 29 HD1 PHE 3 HD1 PHE 3 -1.261 -9.882 -1.709 30 HD2 PHE 3 HD2 PHE 3 1.125 -7.013 -3.753 31 HE1 PHE 3 HE1 PHE 3 -2.851 -9.896 -3.584 32 HE2 PHE 3 HE2 PHE 3 -0.457 -7.020 -5.627 33 HZ PHE 3 HZ PHE 3 -2.449 -8.465 -5.550 34 H GLY 4 H GLY 4 2.991 -9.936 -0.471 35 1HA GLY 4 1HA GLY 4 4.546 -10.457 1.287 36 2HA GLY 4 2HA GLY 4 3.700 -9.304 2.314 37 H ARG 5 H ARG 5 6.567 -9.471 1.562 38 HA ARG 5 HA ARG 5 6.846 -6.687 0.754 39 1HB ARG 5 1HB ARG 5 8.147 -8.208 2.641 40 2HB ARG 5 2HB ARG 5 9.305 -8.177 1.318 41 1HG ARG 5 1HG ARG 5 9.584 -5.888 1.440 42 2HG ARG 5 2HG ARG 5 8.041 -5.641 2.260 43 1HD ARG 5 1HD ARG 5 9.750 -5.297 3.874 44 2HD ARG 5 2HD ARG 5 9.007 -6.856 4.232 45 HE ARG 5 HE ARG 5 11.306 -7.092 2.546 46 1HH1 ARG 5 1HH1 ARG 5 10.249 -6.747 5.848 47 2HH1 ARG 5 2HH1 ARG 5 11.667 -7.484 6.515 48 1HH2 ARG 5 1HH2 ARG 5 13.177 -8.064 3.415 49 2HH2 ARG 5 2HH2 ARG 5 13.332 -8.232 5.132 50 H CYS 6 H CYS 6 8.412 -9.774 -0.136 51 HA CYS 6 HA CYS 6 9.368 -8.585 -2.577 52 1HB CYS 6 1HB CYS 6 9.469 -11.524 -2.036 53 2HB CYS 6 2HB CYS 6 10.597 -10.501 -2.920 54 H GLU 7 H GLU 7 6.840 -10.876 -1.647 55 HA GLU 7 HA GLU 7 6.080 -11.901 -4.069 56 1HB GLU 7 1HB GLU 7 4.251 -10.845 -1.898 57 2HB GLU 7 2HB GLU 7 3.742 -11.900 -3.210 58 1HG GLU 7 1HG GLU 7 5.021 -13.702 -2.387 59 2HG GLU 7 2HG GLU 7 5.893 -12.664 -1.260 60 H LEU 8 H LEU 8 5.028 -8.812 -2.688 61 HA LEU 8 HA LEU 8 3.691 -7.950 -5.034 62 1HB LEU 8 1HB LEU 8 3.027 -6.889 -3.033 63 2HB LEU 8 2HB LEU 8 4.681 -6.502 -2.592 64 HG LEU 8 HG LEU 8 4.721 -4.967 -4.626 65 1HD1 LEU 8 1HD1 LEU 8 2.669 -6.019 -5.635 66 2HD1 LEU 8 2HD1 LEU 8 1.730 -5.158 -4.416 67 3HD1 LEU 8 3HD1 LEU 8 2.687 -4.256 -5.591 68 1HD2 LEU 8 1HD2 LEU 8 4.410 -4.308 -2.184 69 2HD2 LEU 8 2HD2 LEU 8 3.892 -3.149 -3.408 70 3HD2 LEU 8 3HD2 LEU 8 2.697 -4.141 -2.572 71 H ALA 9 H ALA 9 7.020 -7.575 -3.815 72 HA ALA 9 HA ALA 9 7.843 -5.604 -5.638 73 1HB ALA 9 1HB ALA 9 9.060 -7.208 -3.660 74 2HB ALA 9 2HB ALA 9 10.012 -7.363 -5.137 75 3HB ALA 9 3HB ALA 9 9.696 -5.767 -4.455 76 H ALA 10 H ALA 10 8.198 -9.158 -5.865 77 HA ALA 10 HA ALA 10 9.378 -9.305 -8.348 78 1HB ALA 10 1HB ALA 10 8.389 -11.542 -8.536 79 2HB ALA 10 2HB ALA 10 9.031 -11.261 -6.917 80 3HB ALA 10 3HB ALA 10 7.294 -11.170 -7.204 81 H ALA 11 H ALA 11 5.995 -8.874 -7.455 82 HA ALA 11 HA ALA 11 4.946 -9.031 -10.061 83 1HB ALA 11 1HB ALA 11 3.728 -7.386 -7.884 84 2HB ALA 11 2HB ALA 11 3.672 -9.147 -7.857 85 3HB ALA 11 3HB ALA 11 2.915 -8.261 -9.180 86 H MET 12 H MET 12 6.234 -6.473 -8.182 87 HA MET 12 HA MET 12 5.544 -4.277 -9.797 88 1HB MET 12 1HB MET 12 8.145 -4.460 -8.299 89 2HB MET 12 2HB MET 12 7.202 -3.029 -8.643 90 1HG MET 12 1HG MET 12 6.484 -5.220 -6.728 91 2HG MET 12 2HG MET 12 7.025 -3.595 -6.320 92 1HE MET 12 1HE MET 12 5.874 -1.731 -8.003 93 2HE MET 12 2HE MET 12 4.146 -1.442 -7.807 94 3HE MET 12 3HE MET 12 5.216 -1.370 -6.408 95 H LYS 13 H LYS 13 8.503 -6.238 -9.728 96 HA LYS 13 HA LYS 13 9.933 -5.010 -11.742 97 1HB LYS 13 1HB LYS 13 10.220 -7.308 -10.224 98 2HB LYS 13 2HB LYS 13 10.118 -7.925 -11.867 99 1HG LYS 13 1HG LYS 13 11.881 -5.646 -11.716 100 2HG LYS 13 2HG LYS 13 12.367 -6.916 -10.592 101 1HD LYS 13 1HD LYS 13 12.407 -8.539 -12.387 102 2HD LYS 13 2HD LYS 13 11.801 -7.334 -13.526 103 1HE LYS 13 1HE LYS 13 14.016 -6.110 -12.449 104 2HE LYS 13 2HE LYS 13 14.511 -7.799 -12.551 105 1HZ LYS 13 1HZ LYS 13 13.752 -7.741 -14.911 106 2HZ LYS 13 2HZ LYS 13 13.552 -6.069 -14.760 107 3HZ LYS 13 3HZ LYS 13 15.088 -6.758 -14.583 108 H ARG 14 H ARG 14 7.549 -7.620 -12.016 109 HA ARG 14 HA ARG 14 7.680 -7.862 -14.820 110 1HB ARG 14 1HB ARG 14 5.800 -8.727 -12.684 111 2HB ARG 14 2HB ARG 14 5.180 -8.698 -14.329 112 1HG ARG 14 1HG ARG 14 7.280 -10.059 -14.921 113 2HG ARG 14 2HG ARG 14 7.398 -10.348 -13.184 114 1HD ARG 14 1HD ARG 14 4.789 -10.909 -13.599 115 2HD ARG 14 2HD ARG 14 5.467 -11.384 -15.156 116 HE ARG 14 HE ARG 14 7.089 -12.516 -13.229 117 1HH1 ARG 14 1HH1 ARG 14 3.739 -12.696 -14.168 118 2HH1 ARG 14 2HH1 ARG 14 3.547 -14.334 -13.641 119 1HH2 ARG 14 1HH2 ARG 14 6.845 -14.673 -12.534 120 2HH2 ARG 14 2HH2 ARG 14 5.311 -15.458 -12.712 121 H HIS 15 H HIS 15 5.694 -5.869 -12.661 122 HA HIS 15 HA HIS 15 4.092 -4.816 -14.763 123 1HB HIS 15 1HB HIS 15 4.401 -4.353 -11.842 124 2HB HIS 15 2HB HIS 15 3.644 -3.079 -12.792 125 HD1 HIS 15 HD1 HIS 15 2.387 -5.229 -10.630 126 HD2 HIS 15 HD2 HIS 15 1.818 -5.033 -14.741 127 HE1 HIS 15 HE1 HIS 15 0.203 -6.396 -11.062 128 HE2 HIS 15 HE2 HIS 15 -0.163 -6.189 -13.546 129 H GLY 16 H GLY 16 7.316 -4.208 -14.004 130 1HA GLY 16 1HA GLY 16 7.330 -1.956 -15.724 131 2HA GLY 16 2HA GLY 16 8.710 -2.682 -14.931 132 H LEU 17 H LEU 17 7.295 -2.180 -12.190 133 HA LEU 17 HA LEU 17 7.374 0.713 -12.181 134 1HB LEU 17 1HB LEU 17 7.114 -0.950 -9.712 135 2HB LEU 17 2HB LEU 17 6.512 0.665 -10.009 136 HG LEU 17 HG LEU 17 5.282 -1.947 -10.570 137 1HD1 LEU 17 1HD1 LEU 17 4.695 0.305 -9.100 138 2HD1 LEU 17 2HD1 LEU 17 3.617 0.439 -10.489 139 3HD1 LEU 17 3HD1 LEU 17 3.578 -1.005 -9.478 140 1HD2 LEU 17 1HD2 LEU 17 5.221 0.296 -12.565 141 2HD2 LEU 17 2HD2 LEU 17 5.405 -1.436 -12.845 142 3HD2 LEU 17 3HD2 LEU 17 3.838 -0.781 -12.368 143 H ASP 18 H ASP 18 9.586 -1.672 -11.969 144 HA ASP 18 HA ASP 18 11.279 -0.623 -9.930 145 1HB ASP 18 1HB ASP 18 11.799 -2.822 -10.263 146 2HB ASP 18 2HB ASP 18 11.521 -2.747 -11.992 147 H ASN 19 H ASN 19 11.721 1.458 -10.207 148 HA ASN 19 HA ASN 19 12.783 3.328 -10.899 149 1HB ASN 19 1HB ASN 19 14.610 1.395 -11.295 150 2HB ASN 19 2HB ASN 19 14.403 1.924 -12.961 151 2HD2 ASN 19 2HD2 ASN 19 16.423 2.247 -10.577 152 1HD2 ASN 19 1HD2 ASN 19 16.896 3.902 -10.730 153 H TYR 20 H TYR 20 10.386 2.559 -12.111 154 HA TYR 20 HA TYR 20 10.471 3.037 -14.925 155 1HB TYR 20 1HB TYR 20 8.553 1.943 -13.700 156 2HB TYR 20 2HB TYR 20 8.146 3.521 -13.039 157 HD1 TYR 20 HD1 TYR 20 8.705 1.835 -16.325 158 HD2 TYR 20 HD2 TYR 20 6.603 4.832 -14.159 159 HE1 TYR 20 HE1 TYR 20 7.341 2.308 -18.316 160 HE2 TYR 20 HE2 TYR 20 5.232 5.314 -16.144 161 HH TYR 20 HH TYR 20 5.970 4.575 -19.111 162 H ARG 21 H ARG 21 9.300 5.084 -15.819 163 HA ARG 21 HA ARG 21 10.669 7.292 -15.710 164 1HB ARG 21 1HB ARG 21 7.742 6.897 -15.879 165 2HB ARG 21 2HB ARG 21 8.277 8.541 -15.564 166 1HG ARG 21 1HG ARG 21 9.586 7.047 -17.770 167 2HG ARG 21 2HG ARG 21 7.938 7.632 -18.014 168 1HD ARG 21 1HD ARG 21 8.660 9.711 -18.328 169 2HD ARG 21 2HD ARG 21 9.556 9.679 -16.810 170 HE ARG 21 HE ARG 21 11.467 8.939 -17.988 171 1HH1 ARG 21 1HH1 ARG 21 8.754 9.627 -20.062 172 2HH1 ARG 21 2HH1 ARG 21 9.715 9.736 -21.499 173 1HH2 ARG 21 1HH2 ARG 21 12.741 9.080 -19.874 174 2HH2 ARG 21 2HH2 ARG 21 11.981 9.425 -21.392 175 H GLY 22 H GLY 22 8.489 6.309 -13.152 176 1HA GLY 22 1HA GLY 22 8.040 7.233 -11.079 177 2HA GLY 22 2HA GLY 22 8.974 8.647 -11.537 178 H TYR 23 H TYR 23 8.981 5.650 -9.856 179 HA TYR 23 HA TYR 23 11.836 6.017 -9.261 180 1HB TYR 23 1HB TYR 23 9.550 5.709 -7.349 181 2HB TYR 23 2HB TYR 23 11.192 5.291 -6.874 182 HD1 TYR 23 HD1 TYR 23 9.152 8.084 -8.245 183 HD2 TYR 23 HD2 TYR 23 12.643 6.953 -6.092 184 HE1 TYR 23 HE1 TYR 23 9.583 10.446 -7.719 185 HE2 TYR 23 HE2 TYR 23 13.083 9.312 -5.558 186 HH TYR 23 HH TYR 23 11.652 11.455 -5.356 187 H SER 24 H SER 24 12.565 4.179 -7.687 188 HA SER 24 HA SER 24 12.363 1.762 -9.244 189 1HB SER 24 1HB SER 24 14.271 1.000 -8.002 190 2HB SER 24 2HB SER 24 14.546 2.685 -8.442 191 HG SER 24 HG SER 24 14.741 3.078 -6.399 192 H LEU 25 H LEU 25 12.363 -0.330 -8.098 193 HA LEU 25 HA LEU 25 10.000 -1.010 -7.021 194 1HB LEU 25 1HB LEU 25 12.675 -2.155 -7.100 195 2HB LEU 25 2HB LEU 25 11.734 -2.731 -5.737 196 HG LEU 25 HG LEU 25 10.435 -2.746 -8.398 197 1HD1 LEU 25 1HD1 LEU 25 12.953 -3.744 -8.281 198 2HD1 LEU 25 2HD1 LEU 25 12.005 -5.154 -7.808 199 3HD1 LEU 25 3HD1 LEU 25 11.685 -4.352 -9.346 200 1HD2 LEU 25 1HD2 LEU 25 10.405 -4.416 -5.904 201 2HD2 LEU 25 2HD2 LEU 25 9.087 -3.503 -6.640 202 3HD2 LEU 25 3HD2 LEU 25 9.672 -4.978 -7.407 203 H GLY 26 H GLY 26 12.904 -0.472 -4.998 204 1HA GLY 26 1HA GLY 26 13.089 0.434 -2.886 205 2HA GLY 26 2HA GLY 26 11.913 -0.812 -2.511 206 H ASN 27 H ASN 27 11.357 2.059 -4.495 207 HA ASN 27 HA ASN 27 10.114 3.551 -2.410 208 1HB ASN 27 1HB ASN 27 9.810 3.935 -5.391 209 2HB ASN 27 2HB ASN 27 9.475 5.124 -4.135 210 2HD2 ASN 27 2HD2 ASN 27 11.908 3.525 -5.991 211 1HD2 ASN 27 1HD2 ASN 27 13.238 4.501 -5.479 212 H TRP 28 H TRP 28 8.933 1.358 -4.885 213 HA TRP 28 HA TRP 28 6.168 1.930 -4.518 214 1HB TRP 28 1HB TRP 28 7.554 -0.473 -5.702 215 2HB TRP 28 2HB TRP 28 5.816 -0.174 -5.780 216 HD1 TRP 28 HD1 TRP 28 9.052 0.754 -7.411 217 HE1 TRP 28 HE1 TRP 28 8.626 2.434 -9.302 218 HE3 TRP 28 HE3 TRP 28 4.146 1.774 -6.471 219 HZ2 TRP 28 HZ2 TRP 28 6.470 3.980 -10.297 220 HZ3 TRP 28 HZ3 TRP 28 2.952 3.347 -7.932 221 HH2 TRP 28 HH2 TRP 28 4.095 4.433 -9.812 222 H VAL 29 H VAL 29 8.328 -0.596 -3.251 223 HA VAL 29 HA VAL 29 6.334 -1.982 -1.830 224 HB VAL 29 HB VAL 29 9.300 -1.832 -1.277 225 1HG1 VAL 29 1HG1 VAL 29 8.067 -2.716 0.622 226 2HG1 VAL 29 2HG1 VAL 29 7.258 -3.882 -0.426 227 3HG1 VAL 29 3HG1 VAL 29 9.000 -3.991 -0.161 228 1HG2 VAL 29 1HG2 VAL 29 7.772 -3.095 -3.392 229 2HG2 VAL 29 2HG2 VAL 29 9.514 -2.864 -3.239 230 3HG2 VAL 29 3HG2 VAL 29 8.738 -4.258 -2.485 231 H CYS 30 H CYS 30 8.695 0.447 -0.832 232 HA CYS 30 HA CYS 30 8.030 0.577 1.863 233 1HB CYS 30 1HB CYS 30 9.961 1.670 0.526 234 2HB CYS 30 2HB CYS 30 8.835 2.999 0.276 235 H ALA 31 H ALA 31 6.791 2.536 -0.845 236 HA ALA 31 HA ALA 31 5.027 4.108 0.672 237 1HB ALA 31 1HB ALA 31 5.103 3.396 -2.244 238 2HB ALA 31 2HB ALA 31 3.899 4.490 -1.563 239 3HB ALA 31 3HB ALA 31 5.613 4.894 -1.466 240 H ALA 32 H ALA 32 4.462 1.120 -1.168 241 HA ALA 32 HA ALA 32 1.683 1.002 -0.637 242 1HB ALA 32 1HB ALA 32 2.761 -0.172 -2.510 243 2HB ALA 32 2HB ALA 32 3.544 -1.257 -1.360 244 3HB ALA 32 3HB ALA 32 1.786 -1.252 -1.511 245 H LYS 33 H LYS 33 4.450 -0.684 0.843 246 HA LYS 33 HA LYS 33 3.221 -2.337 2.604 247 1HB LYS 33 1HB LYS 33 5.652 -2.207 2.310 248 2HB LYS 33 2HB LYS 33 5.673 -0.657 3.138 249 1HG LYS 33 1HG LYS 33 4.386 -2.390 4.897 250 2HG LYS 33 2HG LYS 33 5.727 -3.321 4.226 251 1HD LYS 33 1HD LYS 33 7.300 -1.617 4.879 252 2HD LYS 33 2HD LYS 33 5.991 -0.559 5.408 253 1HE LYS 33 1HE LYS 33 6.101 -3.254 6.621 254 2HE LYS 33 2HE LYS 33 7.375 -2.126 7.081 255 1HZ LYS 33 1HZ LYS 33 5.265 -0.561 7.353 256 2HZ LYS 33 2HZ LYS 33 4.525 -2.050 7.671 257 3HZ LYS 33 3HZ LYS 33 5.839 -1.540 8.607 258 H PHE 34 H PHE 34 4.219 0.995 3.380 259 HA PHE 34 HA PHE 34 2.786 0.925 5.835 260 1HB PHE 34 1HB PHE 34 4.462 2.849 4.450 261 2HB PHE 34 2HB PHE 34 3.316 3.529 5.587 262 HD1 PHE 34 HD1 PHE 34 3.281 2.257 7.923 263 HD2 PHE 34 HD2 PHE 34 6.554 2.301 5.204 264 HE1 PHE 34 HE1 PHE 34 4.816 1.717 9.768 265 HE2 PHE 34 HE2 PHE 34 8.095 1.760 7.044 266 HZ PHE 34 HZ PHE 34 7.226 1.466 9.330 267 H GLU 35 H GLU 35 1.899 1.730 2.628 268 HA GLU 35 HA GLU 35 -0.101 3.618 3.141 269 1HB GLU 35 1HB GLU 35 0.970 2.211 0.936 270 2HB GLU 35 2HB GLU 35 -0.765 1.928 0.920 271 1HG GLU 35 1HG GLU 35 -1.265 4.150 0.589 272 2HG GLU 35 2HG GLU 35 0.260 4.704 1.279 273 H SER 36 H SER 36 -0.412 0.138 2.495 274 HA SER 36 HA SER 36 -2.931 0.145 4.036 275 1HB SER 36 1HB SER 36 -3.695 -1.597 2.296 276 2HB SER 36 2HB SER 36 -3.639 0.085 1.775 277 HG SER 36 HG SER 36 -1.409 -1.590 1.424 278 H ASN 37 H ASN 37 0.000 -0.859 4.402 279 HA ASN 37 HA ASN 37 1.037 -2.641 5.397 280 1HB ASN 37 1HB ASN 37 -1.783 -2.851 6.322 281 2HB ASN 37 2HB ASN 37 -0.776 -4.280 6.533 282 2HD2 ASN 37 2HD2 ASN 37 1.516 -3.628 7.381 283 1HD2 ASN 37 1HD2 ASN 37 1.494 -2.593 8.765 284 H PHE 38 H PHE 38 0.149 -2.691 2.674 285 HA PHE 38 HA PHE 38 0.326 -3.972 0.879 286 1HB PHE 38 1HB PHE 38 0.998 -6.051 2.939 287 2HB PHE 38 2HB PHE 38 0.857 -6.459 1.231 288 HD1 PHE 38 HD1 PHE 38 2.002 -4.170 -0.107 289 HD2 PHE 38 HD2 PHE 38 3.253 -6.114 3.463 290 HE1 PHE 38 HE1 PHE 38 4.293 -3.375 -0.491 291 HE2 PHE 38 HE2 PHE 38 5.551 -5.319 3.088 292 HZ PHE 38 HZ PHE 38 6.077 -3.957 1.107 293 H ASN 39 H ASN 39 -2.208 -3.524 2.384 294 HA ASN 39 HA ASN 39 -3.790 -5.861 1.668 295 1HB ASN 39 1HB ASN 39 -4.106 -4.204 3.717 296 2HB ASN 39 2HB ASN 39 -5.050 -3.298 2.539 297 2HD2 ASN 39 2HD2 ASN 39 -6.061 -5.493 1.092 298 1HD2 ASN 39 1HD2 ASN 39 -7.191 -6.323 2.100 299 H THR 40 H THR 40 -4.175 -6.092 -0.421 300 HA THR 40 HA THR 40 -4.439 -3.765 -2.146 301 HB THR 40 HB THR 40 -3.916 -5.138 -3.904 302 HG1 THR 40 HG1 THR 40 -5.084 -7.305 -2.463 303 1HG2 THR 40 1HG2 THR 40 -2.437 -5.564 -1.633 304 2HG2 THR 40 2HG2 THR 40 -2.808 -7.202 -2.170 305 3HG2 THR 40 3HG2 THR 40 -1.991 -6.082 -3.259 306 H GLN 41 H GLN 41 -6.412 -6.196 -0.683 307 HA GLN 41 HA GLN 41 -8.661 -5.650 -2.446 308 1HB GLN 41 1HB GLN 41 -7.956 -7.715 -0.441 309 2HB GLN 41 2HB GLN 41 -9.660 -7.358 -0.642 310 1HG GLN 41 1HG GLN 41 -8.988 -7.622 -3.208 311 2HG GLN 41 2HG GLN 41 -7.762 -8.663 -2.485 312 2HE2 GLN 41 2HE2 GLN 41 -9.219 -9.655 -0.334 313 1HE2 GLN 41 1HE2 GLN 41 -10.477 -10.674 -0.937 314 H ALA 42 H ALA 42 -7.386 -4.147 0.164 315 HA ALA 42 HA ALA 42 -9.896 -3.644 1.546 316 1HB ALA 42 1HB ALA 42 -7.061 -2.840 2.117 317 2HB ALA 42 2HB ALA 42 -8.076 -3.977 3.002 318 3HB ALA 42 3HB ALA 42 -8.434 -2.252 3.055 319 H THR 43 H THR 43 -10.301 -1.386 2.251 320 HA THR 43 HA THR 43 -9.758 0.615 0.157 321 HB THR 43 HB THR 43 -12.011 1.312 0.023 322 HG1 THR 43 HG1 THR 43 -12.370 -0.266 2.350 323 1HG2 THR 43 1HG2 THR 43 -11.308 -1.243 -0.712 324 2HG2 THR 43 2HG2 THR 43 -12.804 -1.493 0.188 325 3HG2 THR 43 3HG2 THR 43 -12.781 -0.404 -1.199 326 H ASN 44 H ASN 44 -9.802 2.813 0.954 327 HA ASN 44 HA ASN 44 -9.937 3.052 3.885 328 1HB ASN 44 1HB ASN 44 -7.581 3.143 2.448 329 2HB ASN 44 2HB ASN 44 -7.991 4.845 2.642 330 2HD2 ASN 44 2HD2 ASN 44 -6.914 5.663 4.274 331 1HD2 ASN 44 1HD2 ASN 44 -6.651 4.909 5.807 332 H ARG 45 H ARG 45 -11.940 4.043 3.854 333 HA ARG 45 HA ARG 45 -12.607 6.200 2.139 334 1HB ARG 45 1HB ARG 45 -13.802 5.113 4.675 335 2HB ARG 45 2HB ARG 45 -14.439 6.568 3.922 336 1HG ARG 45 1HG ARG 45 -14.572 5.102 1.788 337 2HG ARG 45 2HG ARG 45 -14.466 3.755 2.923 338 1HD ARG 45 1HD ARG 45 -16.663 3.944 3.213 339 2HD ARG 45 2HD ARG 45 -16.352 5.474 4.033 340 HE ARG 45 HE ARG 45 -16.515 6.435 1.667 341 1HH1 ARG 45 1HH1 ARG 45 -18.307 3.668 2.797 342 2HH1 ARG 45 2HH1 ARG 45 -19.633 3.924 1.712 343 1HH2 ARG 45 1HH2 ARG 45 -18.256 6.778 0.236 344 2HH2 ARG 45 2HH2 ARG 45 -19.605 5.691 0.256 345 H ASN 46 H ASN 46 -12.293 8.325 2.317 346 HA ASN 46 HA ASN 46 -10.888 9.307 4.709 347 1HB ASN 46 1HB ASN 46 -11.006 10.755 2.077 348 2HB ASN 46 2HB ASN 46 -9.824 10.921 3.372 349 2HD2 ASN 46 2HD2 ASN 46 -10.148 9.874 0.355 350 1HD2 ASN 46 1HD2 ASN 46 -8.990 8.592 0.329 351 H THR 47 H THR 47 -11.231 11.821 4.888 352 HA THR 47 HA THR 47 -14.064 12.162 5.404 353 HB THR 47 HB THR 47 -13.361 14.311 6.471 354 HG1 THR 47 HG1 THR 47 -11.492 14.928 5.571 355 1HG2 THR 47 1HG2 THR 47 -13.297 11.871 7.511 356 2HG2 THR 47 2HG2 THR 47 -11.573 12.228 7.617 357 3HG2 THR 47 3HG2 THR 47 -12.740 13.279 8.418 358 H ASP 48 H ASP 48 -11.680 13.278 3.133 359 HA ASP 48 HA ASP 48 -13.078 15.575 2.219 360 1HB ASP 48 1HB ASP 48 -11.568 15.348 0.210 361 2HB ASP 48 2HB ASP 48 -10.743 15.455 1.761 362 H GLY 49 H GLY 49 -13.748 12.313 1.921 363 1HA GLY 49 1HA GLY 49 -15.527 12.861 -0.372 364 2HA GLY 49 2HA GLY 49 -15.896 11.734 0.923 365 H SER 50 H SER 50 -12.717 11.876 -0.519 366 HA SER 50 HA SER 50 -13.211 9.782 -2.413 367 1HB SER 50 1HB SER 50 -10.548 9.782 -2.318 368 2HB SER 50 2HB SER 50 -11.445 11.044 -3.159 369 HG SER 50 HG SER 50 -10.144 12.186 -1.880 370 H THR 51 H THR 51 -11.240 7.995 -2.245 371 HA THR 51 HA THR 51 -10.940 6.889 0.386 372 HB THR 51 HB THR 51 -12.784 5.533 -1.588 373 HG1 THR 51 HG1 THR 51 -14.124 6.652 -0.365 374 1HG2 THR 51 1HG2 THR 51 -11.062 4.392 0.458 375 2HG2 THR 51 2HG2 THR 51 -12.763 4.020 0.730 376 3HG2 THR 51 3HG2 THR 51 -12.001 3.590 -0.801 377 H ASP 52 H ASP 52 -9.499 5.041 0.393 378 HA ASP 52 HA ASP 52 -7.855 4.900 -2.033 379 1HB ASP 52 1HB ASP 52 -7.209 3.971 0.771 380 2HB ASP 52 2HB ASP 52 -6.095 4.030 -0.591 381 H TYR 53 H TYR 53 -8.814 3.455 -3.311 382 HA TYR 53 HA TYR 53 -9.609 0.910 -2.175 383 1HB TYR 53 1HB TYR 53 -9.909 1.968 -4.985 384 2HB TYR 53 2HB TYR 53 -10.512 0.419 -4.406 385 HD1 TYR 53 HD1 TYR 53 -10.962 4.058 -4.252 386 HD2 TYR 53 HD2 TYR 53 -12.468 0.279 -3.013 387 HE1 TYR 53 HE1 TYR 53 -13.057 5.131 -3.545 388 HE2 TYR 53 HE2 TYR 53 -14.568 1.340 -2.302 389 HH TYR 53 HH TYR 53 -14.962 4.835 -2.334 390 H GLY 54 H GLY 54 -7.633 0.114 -1.659 391 1HA GLY 54 1HA GLY 54 -5.895 -0.621 -3.942 392 2HA GLY 54 2HA GLY 54 -6.529 -1.891 -2.923 393 H ILE 55 H ILE 55 -4.040 -2.012 -3.276 394 HA ILE 55 HA ILE 55 -2.866 -1.582 -0.681 395 HB ILE 55 HB ILE 55 -2.507 -3.653 -2.086 396 1HG1 ILE 55 1HG1 ILE 55 -0.026 -2.109 -1.288 397 2HG1 ILE 55 2HG1 ILE 55 -1.007 -3.109 -0.222 398 1HG2 ILE 55 1HG2 ILE 55 -2.264 -2.463 -4.235 399 2HG2 ILE 55 2HG2 ILE 55 -0.702 -1.849 -3.693 400 3HG2 ILE 55 3HG2 ILE 55 -0.939 -3.582 -3.918 401 1HD1 ILE 55 1HD1 ILE 55 -0.183 -4.626 -2.509 402 2HD1 ILE 55 2HD1 ILE 55 1.212 -3.881 -1.729 403 3HD1 ILE 55 3HD1 ILE 55 0.128 -4.916 -0.798 404 H LEU 56 H LEU 56 -2.948 0.037 -3.699 405 HA LEU 56 HA LEU 56 -0.665 1.725 -2.923 406 1HB LEU 56 1HB LEU 56 -1.200 0.464 -5.377 407 2HB LEU 56 2HB LEU 56 -1.579 2.155 -5.637 408 HG LEU 56 HG LEU 56 0.666 2.000 -6.283 409 1HD1 LEU 56 1HD1 LEU 56 0.048 3.608 -4.226 410 2HD1 LEU 56 2HD1 LEU 56 1.338 2.660 -3.487 411 3HD1 LEU 56 3HD1 LEU 56 1.644 3.554 -4.975 412 1HD2 LEU 56 1HD2 LEU 56 0.824 -0.006 -4.100 413 2HD2 LEU 56 2HD2 LEU 56 1.470 -0.057 -5.740 414 3HD2 LEU 56 3HD2 LEU 56 2.289 0.892 -4.500 415 H GLN 57 H GLN 57 -3.809 1.590 -2.536 416 HA GLN 57 HA GLN 57 -5.445 3.072 -2.080 417 1HB GLN 57 1HB GLN 57 -3.245 5.129 -2.316 418 2HB GLN 57 2HB GLN 57 -4.824 5.392 -1.589 419 1HG GLN 57 1HG GLN 57 -4.185 3.464 -0.015 420 2HG GLN 57 2HG GLN 57 -2.540 3.746 -0.582 421 2HE2 GLN 57 2HE2 GLN 57 -4.330 4.282 1.948 422 1HE2 GLN 57 1HE2 GLN 57 -3.805 5.855 2.433 423 H ILE 58 H ILE 58 -6.171 2.383 -4.351 424 HA ILE 58 HA ILE 58 -5.818 4.448 -6.360 425 HB ILE 58 HB ILE 58 -7.678 2.103 -6.620 426 1HG1 ILE 58 1HG1 ILE 58 -5.649 1.070 -5.882 427 2HG1 ILE 58 2HG1 ILE 58 -5.723 0.867 -7.628 428 1HG2 ILE 58 1HG2 ILE 58 -6.358 4.048 -8.418 429 2HG2 ILE 58 2HG2 ILE 58 -6.556 2.402 -9.020 430 3HG2 ILE 58 3HG2 ILE 58 -7.965 3.328 -8.505 431 1HD1 ILE 58 1HD1 ILE 58 -4.266 3.008 -7.681 432 2HD1 ILE 58 2HD1 ILE 58 -3.926 2.603 -5.999 433 3HD1 ILE 58 3HD1 ILE 58 -3.527 1.459 -7.280 434 H ASN 59 H ASN 59 -6.894 6.243 -5.590 435 HA ASN 59 HA ASN 59 -9.407 6.203 -4.366 436 1HB ASN 59 1HB ASN 59 -7.867 8.127 -4.260 437 2HB ASN 59 2HB ASN 59 -8.118 8.421 -5.978 438 2HD2 ASN 59 2HD2 ASN 59 -8.772 10.548 -5.255 439 1HD2 ASN 59 1HD2 ASN 59 -10.396 10.799 -4.723 440 H SER 60 H SER 60 -11.021 5.116 -5.397 441 HA SER 60 HA SER 60 -11.417 5.076 -8.183 442 1HB SER 60 1HB SER 60 -13.266 3.768 -7.758 443 2HB SER 60 2HB SER 60 -12.396 3.571 -6.236 444 HG SER 60 HG SER 60 -14.581 5.290 -6.782 445 H ARG 61 H ARG 61 -11.794 7.622 -6.081 446 HA ARG 61 HA ARG 61 -14.106 8.795 -7.400 447 1HB ARG 61 1HB ARG 61 -13.409 9.002 -4.877 448 2HB ARG 61 2HB ARG 61 -12.361 10.282 -5.472 449 1HG ARG 61 1HG ARG 61 -15.149 10.419 -6.388 450 2HG ARG 61 2HG ARG 61 -14.903 10.653 -4.656 451 1HD ARG 61 1HD ARG 61 -12.961 12.234 -5.550 452 2HD ARG 61 2HD ARG 61 -14.026 12.319 -6.951 453 HE ARG 61 HE ARG 61 -15.504 12.761 -4.589 454 1HH1 ARG 61 1HH1 ARG 61 -13.159 14.299 -6.657 455 2HH1 ARG 61 2HH1 ARG 61 -13.670 15.904 -6.258 456 1HH2 ARG 61 1HH2 ARG 61 -16.184 14.873 -4.059 457 2HH2 ARG 61 2HH2 ARG 61 -15.389 16.231 -4.782 458 H TRP 62 H TRP 62 -10.654 9.529 -6.978 459 HA TRP 62 HA TRP 62 -10.777 11.569 -9.043 460 1HB TRP 62 1HB TRP 62 -9.049 10.981 -6.826 461 2HB TRP 62 2HB TRP 62 -8.090 11.068 -8.300 462 HD1 TRP 62 HD1 TRP 62 -8.036 13.436 -9.590 463 HE1 TRP 62 HE1 TRP 62 -8.485 15.830 -8.760 464 HE3 TRP 62 HE3 TRP 62 -10.465 12.341 -5.226 465 HZ2 TRP 62 HZ2 TRP 62 -9.708 17.089 -6.549 466 HZ3 TRP 62 HZ3 TRP 62 -11.242 14.198 -3.812 467 HH2 TRP 62 HH2 TRP 62 -10.870 16.523 -4.459 468 H TRP 63 H TRP 63 -10.324 8.255 -8.870 469 HA TRP 63 HA TRP 63 -9.259 8.205 -11.600 470 1HB TRP 63 1HB TRP 63 -8.275 6.310 -9.453 471 2HB TRP 63 2HB TRP 63 -7.712 6.422 -11.115 472 HD1 TRP 63 HD1 TRP 63 -6.669 7.405 -7.776 473 HE1 TRP 63 HE1 TRP 63 -4.920 9.295 -7.874 474 HE3 TRP 63 HE3 TRP 63 -7.327 8.839 -12.612 475 HZ2 TRP 63 HZ2 TRP 63 -3.952 11.162 -9.778 476 HZ3 TRP 63 HZ3 TRP 63 -5.994 10.679 -13.505 477 HH2 TRP 63 HH2 TRP 63 -4.322 11.823 -12.121 478 H CYS 64 H CYS 64 -9.716 6.225 -12.724 479 HA CYS 64 HA CYS 64 -11.212 4.730 -13.520 480 1HB CYS 64 1HB CYS 64 -11.253 2.744 -12.320 481 2HB CYS 64 2HB CYS 64 -9.845 3.553 -11.648 482 H ASN 65 H ASN 65 -13.328 3.949 -13.660 483 HA ASN 65 HA ASN 65 -15.260 5.695 -12.323 484 1HB ASN 65 1HB ASN 65 -15.179 5.306 -14.870 485 2HB ASN 65 2HB ASN 65 -15.886 3.731 -14.521 486 2HD2 ASN 65 2HD2 ASN 65 -16.395 7.153 -14.590 487 1HD2 ASN 65 1HD2 ASN 65 -18.106 7.113 -14.359 488 H ASP 66 H ASP 66 -15.901 4.917 -10.410 489 HA ASP 66 HA ASP 66 -16.252 2.042 -10.055 490 1HB ASP 66 1HB ASP 66 -16.356 2.479 -7.703 491 2HB ASP 66 2HB ASP 66 -15.027 3.429 -8.360 492 H GLY 67 H GLY 67 -18.127 4.934 -10.449 493 1HA GLY 67 1HA GLY 67 -20.525 3.432 -10.803 494 2HA GLY 67 2HA GLY 67 -20.383 5.182 -10.827 495 H ARG 68 H ARG 68 -19.142 3.698 -8.008 496 HA ARG 68 HA ARG 68 -21.663 3.864 -6.568 497 1HB ARG 68 1HB ARG 68 -19.049 2.594 -6.133 498 2HB ARG 68 2HB ARG 68 -19.769 3.277 -4.681 499 1HG ARG 68 1HG ARG 68 -21.588 1.678 -6.343 500 2HG ARG 68 2HG ARG 68 -20.256 0.788 -5.603 501 1HD ARG 68 1HD ARG 68 -22.109 2.621 -4.090 502 2HD ARG 68 2HD ARG 68 -22.348 0.879 -4.231 503 HE ARG 68 HE ARG 68 -20.041 2.145 -2.900 504 1HH1 ARG 68 1HH1 ARG 68 -22.300 -0.481 -3.279 505 2HH1 ARG 68 2HH1 ARG 68 -21.686 -1.374 -1.927 506 1HH2 ARG 68 1HH2 ARG 68 -19.227 0.976 -1.119 507 2HH2 ARG 68 2HH2 ARG 68 -19.940 -0.546 -0.700 508 H THR 69 H THR 69 -19.213 5.954 -7.387 509 HA THR 69 HA THR 69 -19.799 7.674 -5.066 510 HB THR 69 HB THR 69 -17.202 7.715 -6.605 511 HG1 THR 69 HG1 THR 69 -18.052 5.974 -4.710 512 1HG2 THR 69 1HG2 THR 69 -18.309 9.160 -4.246 513 2HG2 THR 69 2HG2 THR 69 -16.584 8.793 -4.272 514 3HG2 THR 69 3HG2 THR 69 -17.299 9.757 -5.564 515 HA PRO 70 HA PRO 70 -21.590 9.994 -8.562 516 1HB PRO 70 1HB PRO 70 -22.220 11.777 -6.262 517 2HB PRO 70 2HB PRO 70 -23.272 11.193 -7.557 518 1HG PRO 70 1HG PRO 70 -23.449 10.176 -5.103 519 2HG PRO 70 2HG PRO 70 -23.615 9.140 -6.533 520 1HD PRO 70 1HD PRO 70 -21.296 9.453 -4.676 521 2HD PRO 70 2HD PRO 70 -21.906 7.995 -5.485 522 H GLY 71 H GLY 71 -19.799 10.774 -9.611 523 1HA GLY 71 1HA GLY 71 -18.376 13.024 -8.337 524 2HA GLY 71 2HA GLY 71 -18.974 13.148 -9.984 525 H SER 72 H SER 72 -18.196 10.097 -10.038 526 HA SER 72 HA SER 72 -15.405 9.927 -9.870 527 1HB SER 72 1HB SER 72 -17.367 8.127 -10.324 528 2HB SER 72 2HB SER 72 -16.738 8.302 -11.963 529 HG SER 72 HG SER 72 -14.627 7.889 -11.021 530 H ARG 73 H ARG 73 -13.904 10.939 -11.013 531 HA ARG 73 HA ARG 73 -14.506 12.434 -13.356 532 1HB ARG 73 1HB ARG 73 -12.469 12.422 -11.478 533 2HB ARG 73 2HB ARG 73 -11.673 11.872 -12.947 534 1HG ARG 73 1HG ARG 73 -11.570 13.951 -13.688 535 2HG ARG 73 2HG ARG 73 -13.327 14.089 -13.602 536 1HD ARG 73 1HD ARG 73 -12.193 14.266 -10.971 537 2HD ARG 73 2HD ARG 73 -11.414 15.429 -12.042 538 HE ARG 73 HE ARG 73 -14.329 15.342 -12.031 539 1HH1 ARG 73 1HH1 ARG 73 -11.392 16.936 -11.046 540 2HH1 ARG 73 2HH1 ARG 73 -12.179 18.433 -10.671 541 1HH2 ARG 73 1HH2 ARG 73 -15.373 17.309 -11.540 542 2HH2 ARG 73 2HH2 ARG 73 -14.442 18.645 -10.951 543 H ASN 74 H ASN 74 -12.829 9.378 -12.768 544 HA ASN 74 HA ASN 74 -12.379 7.597 -14.129 545 1HB ASN 74 1HB ASN 74 -14.724 8.172 -15.037 546 2HB ASN 74 2HB ASN 74 -13.881 8.968 -16.363 547 2HD2 ASN 74 2HD2 ASN 74 -13.014 6.014 -14.639 548 1HD2 ASN 74 1HD2 ASN 74 -13.112 4.971 -16.013 549 H LEU 75 H LEU 75 -10.646 9.775 -13.852 550 HA LEU 75 HA LEU 75 -9.494 10.773 -16.192 551 1HB LEU 75 1HB LEU 75 -8.788 10.326 -13.370 552 2HB LEU 75 2HB LEU 75 -7.435 10.509 -14.460 553 HG LEU 75 HG LEU 75 -9.714 12.486 -14.143 554 1HD1 LEU 75 1HD1 LEU 75 -8.141 12.139 -12.147 555 2HD1 LEU 75 2HD1 LEU 75 -6.918 12.915 -13.153 556 3HD1 LEU 75 3HD1 LEU 75 -8.393 13.783 -12.732 557 1HD2 LEU 75 1HD2 LEU 75 -8.494 12.451 -16.344 558 2HD2 LEU 75 2HD2 LEU 75 -8.441 13.985 -15.477 559 3HD2 LEU 75 3HD2 LEU 75 -7.039 12.916 -15.463 560 H CYS 76 H CYS 76 -8.679 8.158 -14.135 561 HA CYS 76 HA CYS 76 -6.569 7.068 -15.654 562 1HB CYS 76 1HB CYS 76 -7.614 6.825 -13.149 563 2HB CYS 76 2HB CYS 76 -8.039 5.284 -13.883 564 H ASN 77 H ASN 77 -10.015 6.560 -15.475 565 HA ASN 77 HA ASN 77 -11.497 5.327 -16.700 566 1HB ASN 77 1HB ASN 77 -10.384 6.743 -18.508 567 2HB ASN 77 2HB ASN 77 -9.401 5.328 -18.878 568 2HD2 ASN 77 2HD2 ASN 77 -10.324 5.373 -20.978 569 1HD2 ASN 77 1HD2 ASN 77 -11.900 4.724 -21.260 570 H ILE 78 H ILE 78 -10.279 3.840 -14.930 571 HA ILE 78 HA ILE 78 -9.603 1.370 -16.358 572 HB ILE 78 HB ILE 78 -7.793 0.958 -15.096 573 1HG1 ILE 78 1HG1 ILE 78 -9.531 1.916 -12.889 574 2HG1 ILE 78 2HG1 ILE 78 -8.516 0.483 -12.979 575 1HG2 ILE 78 1HG2 ILE 78 -7.441 3.201 -15.992 576 2HG2 ILE 78 2HG2 ILE 78 -8.099 3.896 -14.512 577 3HG2 ILE 78 3HG2 ILE 78 -6.594 2.978 -14.461 578 1HD1 ILE 78 1HD1 ILE 78 -6.542 2.010 -12.656 579 2HD1 ILE 78 2HD1 ILE 78 -7.701 3.288 -12.293 580 3HD1 ILE 78 3HD1 ILE 78 -7.629 1.848 -11.277 581 HA PRO 79 HA PRO 79 -12.719 -0.550 -13.843 582 1HB PRO 79 1HB PRO 79 -11.878 -3.102 -13.718 583 2HB PRO 79 2HB PRO 79 -12.425 -2.389 -15.240 584 1HG PRO 79 1HG PRO 79 -9.645 -2.885 -14.270 585 2HG PRO 79 2HG PRO 79 -10.314 -3.070 -15.900 586 1HD PRO 79 1HD PRO 79 -8.833 -0.899 -15.033 587 2HD PRO 79 2HD PRO 79 -9.945 -0.879 -16.414 588 H CYS 80 H CYS 80 -12.785 0.096 -11.746 589 HA CYS 80 HA CYS 80 -10.605 0.043 -9.989 590 1HB CYS 80 1HB CYS 80 -13.421 0.049 -8.978 591 2HB CYS 80 2HB CYS 80 -12.032 0.977 -8.421 592 H SER 81 H SER 81 -13.581 -1.942 -9.772 593 HA SER 81 HA SER 81 -12.767 -3.622 -7.748 594 1HB SER 81 1HB SER 81 -14.457 -5.187 -8.525 595 2HB SER 81 2HB SER 81 -15.058 -3.538 -8.697 596 HG SER 81 HG SER 81 -15.029 -5.314 -10.550 597 H ALA 82 H ALA 82 -11.779 -3.678 -11.088 598 HA ALA 82 HA ALA 82 -10.834 -6.343 -11.187 599 1HB ALA 82 1HB ALA 82 -11.174 -5.298 -13.255 600 2HB ALA 82 2HB ALA 82 -9.422 -5.443 -13.108 601 3HB ALA 82 3HB ALA 82 -10.207 -3.894 -12.803 602 H LEU 83 H LEU 83 -9.779 -3.862 -9.307 603 HA LEU 83 HA LEU 83 -6.996 -4.828 -9.286 604 1HB LEU 83 1HB LEU 83 -6.250 -2.748 -8.675 605 2HB LEU 83 2HB LEU 83 -7.620 -2.324 -9.682 606 HG LEU 83 HG LEU 83 -8.823 -2.412 -7.258 607 1HD1 LEU 83 1HD1 LEU 83 -6.226 -2.693 -6.519 608 2HD1 LEU 83 2HD1 LEU 83 -6.418 -0.941 -6.452 609 3HD1 LEU 83 3HD1 LEU 83 -7.484 -1.981 -5.510 610 1HD2 LEU 83 1HD2 LEU 83 -8.870 -0.610 -8.972 611 2HD2 LEU 83 2HD2 LEU 83 -8.782 -0.015 -7.314 612 3HD2 LEU 83 3HD2 LEU 83 -7.339 -0.016 -8.327 613 H LEU 84 H LEU 84 -9.899 -4.874 -7.565 614 HA LEU 84 HA LEU 84 -8.564 -5.330 -5.003 615 1HB LEU 84 1HB LEU 84 -11.524 -5.319 -5.287 616 2HB LEU 84 2HB LEU 84 -10.524 -4.734 -3.970 617 HG LEU 84 HG LEU 84 -10.469 -3.324 -6.603 618 1HD1 LEU 84 1HD1 LEU 84 -12.568 -2.997 -4.469 619 2HD1 LEU 84 2HD1 LEU 84 -12.269 -1.839 -5.766 620 3HD1 LEU 84 3HD1 LEU 84 -12.817 -3.471 -6.150 621 1HD2 LEU 84 1HD2 LEU 84 -9.075 -2.975 -4.308 622 2HD2 LEU 84 2HD2 LEU 84 -9.402 -1.699 -5.481 623 3HD2 LEU 84 3HD2 LEU 84 -10.425 -1.868 -4.055 624 H SER 85 H SER 85 -8.261 -7.300 -6.977 625 HA SER 85 HA SER 85 -9.705 -9.515 -5.703 626 1HB SER 85 1HB SER 85 -9.203 -10.459 -8.257 627 2HB SER 85 2HB SER 85 -10.761 -9.877 -7.669 628 HG SER 85 HG SER 85 -10.382 -7.917 -8.584 629 H SER 86 H SER 86 -7.263 -8.526 -5.007 630 HA SER 86 HA SER 86 -5.197 -9.241 -4.346 631 1HB SER 86 1HB SER 86 -6.342 -11.477 -4.067 632 2HB SER 86 2HB SER 86 -5.856 -11.866 -5.716 633 HG SER 86 HG SER 86 -4.301 -11.614 -3.406 634 H ASP 87 H ASP 87 -6.017 -8.138 -6.936 635 HA ASP 87 HA ASP 87 -3.664 -8.821 -8.558 636 1HB ASP 87 1HB ASP 87 -5.976 -9.429 -9.398 637 2HB ASP 87 2HB ASP 87 -6.295 -7.704 -9.499 638 H ILE 88 H ILE 88 -2.187 -7.200 -8.435 639 HA ILE 88 HA ILE 88 -3.064 -4.513 -7.798 640 HB ILE 88 HB ILE 88 -0.475 -4.121 -8.130 641 1HG1 ILE 88 1HG1 ILE 88 -0.306 -6.945 -7.186 642 2HG1 ILE 88 2HG1 ILE 88 -0.437 -6.661 -8.918 643 1HG2 ILE 88 1HG2 ILE 88 -1.769 -5.503 -5.792 644 2HG2 ILE 88 2HG2 ILE 88 -0.158 -4.787 -5.742 645 3HG2 ILE 88 3HG2 ILE 88 -1.566 -3.769 -6.047 646 1HD1 ILE 88 1HD1 ILE 88 1.524 -4.891 -7.956 647 2HD1 ILE 88 2HD1 ILE 88 1.847 -6.464 -7.229 648 3HD1 ILE 88 3HD1 ILE 88 1.742 -6.308 -8.982 649 H THR 89 H THR 89 -2.713 -6.298 -10.595 650 HA THR 89 HA THR 89 -1.407 -4.752 -12.420 651 HB THR 89 HB THR 89 -4.080 -5.955 -13.098 652 HG1 THR 89 HG1 THR 89 -1.672 -7.238 -12.366 653 1HG2 THR 89 1HG2 THR 89 -2.675 -4.695 -14.794 654 2HG2 THR 89 2HG2 THR 89 -1.497 -5.999 -14.648 655 3HG2 THR 89 3HG2 THR 89 -3.125 -6.343 -15.233 656 H ALA 90 H ALA 90 -4.913 -4.455 -11.743 657 HA ALA 90 HA ALA 90 -5.271 -2.178 -13.279 658 1HB ALA 90 1HB ALA 90 -6.864 -3.820 -11.571 659 2HB ALA 90 2HB ALA 90 -7.220 -2.117 -11.273 660 3HB ALA 90 3HB ALA 90 -7.365 -2.778 -12.902 661 H SER 91 H SER 91 -4.673 -2.536 -9.802 662 HA SER 91 HA SER 91 -4.904 0.186 -9.118 663 1HB SER 91 1HB SER 91 -3.006 -0.925 -7.382 664 2HB SER 91 2HB SER 91 -4.744 -0.801 -7.109 665 HG SER 91 HG SER 91 -4.843 -2.852 -8.339 666 H VAL 92 H VAL 92 -2.265 -1.699 -10.359 667 HA VAL 92 HA VAL 92 -0.338 0.374 -9.938 668 HB VAL 92 HB VAL 92 -0.154 -2.135 -11.599 669 1HG1 VAL 92 1HG1 VAL 92 1.839 0.096 -11.206 670 2HG1 VAL 92 2HG1 VAL 92 2.310 -1.523 -11.722 671 3HG1 VAL 92 3HG1 VAL 92 1.225 -0.559 -12.725 672 1HG2 VAL 92 1HG2 VAL 92 1.163 -1.298 -9.014 673 2HG2 VAL 92 2HG2 VAL 92 -0.126 -2.488 -9.188 674 3HG2 VAL 92 3HG2 VAL 92 1.466 -2.808 -9.875 675 H ASN 93 H ASN 93 -2.012 -0.891 -12.824 676 HA ASN 93 HA ASN 93 -0.940 0.636 -14.733 677 1HB ASN 93 1HB ASN 93 -2.522 -0.385 -15.884 678 2HB ASN 93 2HB ASN 93 -3.305 -0.820 -14.387 679 2HD2 ASN 93 2HD2 ASN 93 -3.227 1.423 -17.023 680 1HD2 ASN 93 1HD2 ASN 93 -4.755 2.167 -16.709 681 H CYS 94 H CYS 94 -3.400 1.574 -12.426 682 HA CYS 94 HA CYS 94 -3.818 4.176 -13.428 683 1HB CYS 94 1HB CYS 94 -5.148 2.728 -11.647 684 2HB CYS 94 2HB CYS 94 -4.145 3.634 -10.516 685 H ALA 95 H ALA 95 -1.740 2.944 -10.796 686 HA ALA 95 HA ALA 95 -0.691 5.520 -10.173 687 1HB ALA 95 1HB ALA 95 0.264 4.519 -8.470 688 2HB ALA 95 2HB ALA 95 1.116 3.380 -9.510 689 3HB ALA 95 3HB ALA 95 -0.540 3.043 -9.003 690 H LYS 96 H LYS 96 0.402 2.910 -12.292 691 HA LYS 96 HA LYS 96 2.922 3.795 -12.953 692 1HB LYS 96 1HB LYS 96 0.864 2.140 -14.229 693 2HB LYS 96 2HB LYS 96 1.887 2.978 -15.389 694 1HG LYS 96 1HG LYS 96 3.837 2.053 -13.950 695 2HG LYS 96 2HG LYS 96 2.624 0.913 -13.366 696 1HD LYS 96 1HD LYS 96 2.835 1.315 -16.298 697 2HD LYS 96 2HD LYS 96 4.129 0.416 -15.501 698 1HE LYS 96 1HE LYS 96 2.273 -0.968 -14.430 699 2HE LYS 96 2HE LYS 96 1.196 -0.230 -15.615 700 1HZ LYS 96 1HZ LYS 96 3.626 -1.342 -16.716 701 2HZ LYS 96 2HZ LYS 96 2.586 -2.483 -16.025 702 3HZ LYS 96 3HZ LYS 96 2.031 -1.472 -17.262 703 H LYS 97 H LYS 97 -0.230 4.798 -13.828 704 HA LYS 97 HA LYS 97 0.582 6.851 -15.710 705 1HB LYS 97 1HB LYS 97 -2.046 5.924 -14.600 706 2HB LYS 97 2HB LYS 97 -1.943 7.488 -15.398 707 1HG LYS 97 1HG LYS 97 -0.677 5.429 -16.974 708 2HG LYS 97 2HG LYS 97 -2.352 5.018 -16.597 709 1HD LYS 97 1HD LYS 97 -3.018 6.411 -18.197 710 2HD LYS 97 2HD LYS 97 -2.319 7.752 -17.286 711 1HE LYS 97 1HE LYS 97 -0.806 8.035 -18.885 712 2HE LYS 97 2HE LYS 97 -0.193 6.411 -18.579 713 1HZ LYS 97 1HZ LYS 97 -2.600 6.434 -20.144 714 2HZ LYS 97 2HZ LYS 97 -1.326 7.260 -20.890 715 3HZ LYS 97 3HZ LYS 97 -1.132 5.643 -20.431 716 H ILE 98 H ILE 98 -0.332 6.569 -12.343 717 HA ILE 98 HA ILE 98 -0.698 9.284 -11.774 718 HB ILE 98 HB ILE 98 0.188 7.047 -9.976 719 1HG1 ILE 98 1HG1 ILE 98 -2.463 8.500 -10.171 720 2HG1 ILE 98 2HG1 ILE 98 -2.124 6.964 -10.963 721 1HG2 ILE 98 1HG2 ILE 98 -0.524 9.897 -9.301 722 2HG2 ILE 98 2HG2 ILE 98 -0.433 8.593 -8.116 723 3HG2 ILE 98 3HG2 ILE 98 1.010 9.078 -9.006 724 1HD1 ILE 98 1HD1 ILE 98 -1.495 6.219 -8.528 725 2HD1 ILE 98 2HD1 ILE 98 -2.542 7.568 -8.086 726 3HD1 ILE 98 3HD1 ILE 98 -3.172 6.247 -9.071 727 H VAL 99 H VAL 99 2.126 7.218 -11.435 728 HA VAL 99 HA VAL 99 3.884 9.315 -10.666 729 HB VAL 99 HB VAL 99 4.091 6.772 -10.228 730 1HG1 VAL 99 1HG1 VAL 99 4.307 6.601 -12.917 731 2HG1 VAL 99 2HG1 VAL 99 6.007 6.667 -12.456 732 3HG1 VAL 99 3HG1 VAL 99 4.963 5.409 -11.795 733 1HG2 VAL 99 1HG2 VAL 99 6.366 8.630 -10.848 734 2HG2 VAL 99 2HG2 VAL 99 5.652 8.253 -9.281 735 3HG2 VAL 99 3HG2 VAL 99 6.610 7.038 -10.128 736 H SER 100 H SER 100 2.820 8.047 -13.712 737 HA SER 100 HA SER 100 5.032 9.191 -15.198 738 1HB SER 100 1HB SER 100 3.788 7.101 -15.913 739 2HB SER 100 2HB SER 100 2.419 8.142 -16.306 740 HG SER 100 HG SER 100 4.304 7.558 -17.914 741 H ASP 101 H ASP 101 2.197 10.272 -13.801 742 HA ASP 101 HA ASP 101 1.762 12.438 -15.715 743 1HB ASP 101 1HB ASP 101 -0.023 10.984 -14.291 744 2HB ASP 101 2HB ASP 101 0.183 12.361 -13.213 745 H GLY 102 H GLY 102 3.727 11.869 -13.123 746 1HA GLY 102 1HA GLY 102 3.790 14.742 -12.427 747 2HA GLY 102 2HA GLY 102 5.235 13.759 -12.602 748 H ASN 103 H ASN 103 2.348 12.569 -11.027 749 HA ASN 103 HA ASN 103 3.200 13.235 -8.376 750 1HB ASN 103 1HB ASN 103 0.922 11.819 -9.613 751 2HB ASN 103 2HB ASN 103 1.353 11.283 -7.991 752 2HD2 ASN 103 2HD2 ASN 103 -0.781 13.081 -9.432 753 1HD2 ASN 103 1HD2 ASN 103 -0.961 14.388 -8.318 754 H GLY 104 H GLY 104 5.169 12.376 -7.889 755 1HA GLY 104 1HA GLY 104 6.795 10.773 -7.511 756 2HA GLY 104 2HA GLY 104 5.862 9.653 -8.494 757 H MET 105 H MET 105 7.238 9.342 -5.858 758 HA MET 105 HA MET 105 5.205 7.792 -4.572 759 1HB MET 105 1HB MET 105 7.772 8.432 -3.195 760 2HB MET 105 2HB MET 105 6.906 6.906 -3.292 761 1HG MET 105 1HG MET 105 8.489 8.161 -5.523 762 2HG MET 105 2HG MET 105 9.041 6.849 -4.485 763 1HE MET 105 1HE MET 105 7.066 4.821 -4.089 764 2HE MET 105 2HE MET 105 5.640 5.766 -4.519 765 3HE MET 105 3HE MET 105 6.022 4.293 -5.409 766 H ASN 106 H ASN 106 5.957 10.992 -4.621 767 HA ASN 106 HA ASN 106 5.621 11.694 -1.887 768 1HB ASN 106 1HB ASN 106 5.060 13.634 -4.080 769 2HB ASN 106 2HB ASN 106 5.985 13.838 -2.600 770 2HD2 ASN 106 2HD2 ASN 106 8.091 12.836 -2.483 771 1HD2 ASN 106 1HD2 ASN 106 9.022 12.666 -3.928 772 H ALA 107 H ALA 107 3.483 11.320 -4.649 773 HA ALA 107 HA ALA 107 1.236 12.692 -3.816 774 1HB ALA 107 1HB ALA 107 1.352 10.051 -5.270 775 2HB ALA 107 2HB ALA 107 -0.061 11.103 -5.173 776 3HB ALA 107 3HB ALA 107 1.392 11.654 -6.005 777 H TRP 108 H TRP 108 2.181 9.369 -3.043 778 HA TRP 108 HA TRP 108 -0.049 8.992 -1.266 779 1HB TRP 108 1HB TRP 108 2.417 7.286 -1.689 780 2HB TRP 108 2HB TRP 108 0.965 6.799 -0.816 781 HD1 TRP 108 HD1 TRP 108 -1.284 6.417 -2.307 782 HE1 TRP 108 HE1 TRP 108 -1.570 5.772 -4.783 783 HE3 TRP 108 HE3 TRP 108 3.418 7.520 -3.985 784 HZ2 TRP 108 HZ2 TRP 108 -0.010 5.736 -7.149 785 HZ3 TRP 108 HZ3 TRP 108 3.939 7.154 -6.360 786 HH2 TRP 108 HH2 TRP 108 2.264 6.278 -7.905 787 H VAL 109 H VAL 109 -0.145 9.454 0.813 788 HA VAL 109 HA VAL 109 1.927 10.908 2.092 789 HB VAL 109 HB VAL 109 -0.148 9.902 3.807 790 1HG1 VAL 109 1HG1 VAL 109 1.441 11.771 4.290 791 2HG1 VAL 109 2HG1 VAL 109 0.567 12.725 3.094 792 3HG1 VAL 109 3HG1 VAL 109 -0.260 12.159 4.545 793 1HG2 VAL 109 1HG2 VAL 109 -0.832 11.265 1.251 794 2HG2 VAL 109 2HG2 VAL 109 -1.661 9.937 2.065 795 3HG2 VAL 109 3HG2 VAL 109 -1.796 11.580 2.694 796 H ALA 110 H ALA 110 1.023 7.547 2.194 797 HA ALA 110 HA ALA 110 2.202 6.950 4.701 798 1HB ALA 110 1HB ALA 110 2.274 4.767 2.777 799 2HB ALA 110 2HB ALA 110 1.435 4.887 4.324 800 3HB ALA 110 3HB ALA 110 0.699 5.556 2.867 801 H TRP 111 H TRP 111 3.481 7.549 1.593 802 HA TRP 111 HA TRP 111 6.024 6.270 2.190 803 1HB TRP 111 1HB TRP 111 5.247 6.111 -0.101 804 2HB TRP 111 2HB TRP 111 5.134 7.859 -0.224 805 HD1 TRP 111 HD1 TRP 111 7.606 5.001 -0.438 806 HE1 TRP 111 HE1 TRP 111 9.881 5.902 -1.237 807 HE3 TRP 111 HE3 TRP 111 6.652 10.016 -0.129 808 HZ2 TRP 111 HZ2 TRP 111 11.108 8.404 -1.678 809 HZ3 TRP 111 HZ3 TRP 111 8.431 11.595 -0.758 810 HH2 TRP 111 HH2 TRP 111 10.613 10.804 -1.515 811 H ARG 112 H ARG 112 4.634 9.532 2.006 812 HA ARG 112 HA ARG 112 7.212 10.711 2.688 813 1HB ARG 112 1HB ARG 112 4.798 11.586 1.386 814 2HB ARG 112 2HB ARG 112 5.212 12.665 2.711 815 1HG ARG 112 1HG ARG 112 7.543 12.027 1.144 816 2HG ARG 112 2HG ARG 112 6.256 12.686 0.131 817 1HD ARG 112 1HD ARG 112 6.076 14.626 1.564 818 2HD ARG 112 2HD ARG 112 7.266 13.951 2.676 819 HE ARG 112 HE ARG 112 8.816 14.089 0.652 820 1HH1 ARG 112 1HH1 ARG 112 6.196 16.305 1.257 821 2HH1 ARG 112 2HH1 ARG 112 6.945 17.621 0.418 822 1HH2 ARG 112 1HH2 ARG 112 9.810 15.817 -0.455 823 2HH2 ARG 112 2HH2 ARG 112 8.999 17.344 -0.556 824 H ASN 113 H ASN 113 6.267 9.058 4.658 825 HA ASN 113 HA ASN 113 5.987 10.923 6.846 826 1HB ASN 113 1HB ASN 113 3.629 10.453 6.043 827 2HB ASN 113 2HB ASN 113 3.869 8.790 6.568 828 2HD2 ASN 113 2HD2 ASN 113 2.888 8.443 8.413 829 1HD2 ASN 113 1HD2 ASN 113 2.823 9.525 9.757 830 H ARG 114 H ARG 114 5.394 7.461 6.294 831 HA ARG 114 HA ARG 114 7.114 6.845 8.574 832 1HB ARG 114 1HB ARG 114 4.924 5.457 7.133 833 2HB ARG 114 2HB ARG 114 6.172 4.452 7.847 834 1HG ARG 114 1HG ARG 114 5.018 4.570 9.741 835 2HG ARG 114 2HG ARG 114 5.540 6.252 9.850 836 1HD ARG 114 1HD ARG 114 3.529 7.066 9.143 837 2HD ARG 114 2HD ARG 114 3.180 5.647 8.156 838 HE ARG 114 HE ARG 114 3.148 4.977 10.906 839 1HH1 ARG 114 1HH1 ARG 114 1.287 6.619 8.460 840 2HH1 ARG 114 2HH1 ARG 114 -0.232 6.330 9.239 841 1HH2 ARG 114 1HH2 ARG 114 1.152 4.592 11.938 842 2HH2 ARG 114 2HH2 ARG 114 -0.309 5.178 11.217 843 H CYS 115 H CYS 115 7.367 7.130 5.268 844 HA CYS 115 HA CYS 115 9.492 5.100 5.125 845 1HB CYS 115 1HB CYS 115 7.672 4.795 3.507 846 2HB CYS 115 2HB CYS 115 7.967 6.411 2.871 847 H LYS 116 H LYS 116 8.721 8.448 4.204 848 HA LYS 116 HA LYS 116 11.192 9.094 3.080 849 1HB LYS 116 1HB LYS 116 9.114 10.469 2.929 850 2HB LYS 116 2HB LYS 116 9.358 10.954 4.601 851 1HG LYS 116 1HG LYS 116 10.398 12.711 3.680 852 2HG LYS 116 2HG LYS 116 11.760 11.597 3.550 853 1HD LYS 116 1HD LYS 116 10.477 10.990 1.277 854 2HD LYS 116 2HD LYS 116 9.972 12.671 1.452 855 1HE LYS 116 1HE LYS 116 12.432 13.211 1.801 856 2HE LYS 116 2HE LYS 116 12.764 11.574 1.237 857 1HZ LYS 116 1HZ LYS 116 10.985 12.875 -0.536 858 2HZ LYS 116 2HZ LYS 116 12.362 13.832 -0.309 859 3HZ LYS 116 3HZ LYS 116 12.521 12.236 -0.848 860 H GLY 117 H GLY 117 12.906 8.299 4.293 861 1HA GLY 117 1HA GLY 117 13.208 9.363 7.018 862 2HA GLY 117 2HA GLY 117 14.462 9.684 5.831 863 H THR 118 H THR 118 13.322 6.696 5.050 864 HA THR 118 HA THR 118 15.247 5.362 6.837 865 HB THR 118 HB THR 118 13.933 3.285 6.475 866 HG1 THR 118 HG1 THR 118 12.874 3.786 4.547 867 1HG2 THR 118 1HG2 THR 118 13.502 5.165 8.303 868 2HG2 THR 118 2HG2 THR 118 11.942 5.247 7.485 869 3HG2 THR 118 3HG2 THR 118 12.489 3.726 8.191 870 H ASP 119 H ASP 119 14.951 2.875 5.255 871 HA ASP 119 HA ASP 119 16.325 3.648 2.789 872 1HB ASP 119 1HB ASP 119 17.764 2.812 4.794 873 2HB ASP 119 2HB ASP 119 17.232 1.257 4.196 874 H VAL 120 H VAL 120 15.090 2.982 1.165 875 HA VAL 120 HA VAL 120 13.305 0.754 1.404 876 HB VAL 120 HB VAL 120 12.710 1.226 -0.927 877 1HG1 VAL 120 1HG1 VAL 120 12.193 2.789 1.248 878 2HG1 VAL 120 2HG1 VAL 120 12.788 3.972 0.083 879 3HG1 VAL 120 3HG1 VAL 120 11.410 2.949 -0.325 880 1HG2 VAL 120 1HG2 VAL 120 15.262 2.635 -0.875 881 2HG2 VAL 120 2HG2 VAL 120 14.345 1.999 -2.242 882 3HG2 VAL 120 3HG2 VAL 120 13.956 3.587 -1.582 883 H GLN 121 H GLN 121 16.472 1.358 0.066 884 HA GLN 121 HA GLN 121 16.704 -0.859 -1.633 885 1HB GLN 121 1HB GLN 121 18.913 0.359 0.037 886 2HB GLN 121 2HB GLN 121 19.100 -0.563 -1.449 887 1HG GLN 121 1HG GLN 121 18.166 1.176 -2.753 888 2HG GLN 121 2HG GLN 121 17.617 2.045 -1.321 889 2HE2 GLN 121 2HE2 GLN 121 19.237 3.087 -3.417 890 1HE2 GLN 121 1HE2 GLN 121 20.754 3.538 -2.725 891 H ALA 122 H ALA 122 16.718 -0.537 1.792 892 HA ALA 122 HA ALA 122 17.776 -3.211 2.240 893 1HB ALA 122 1HB ALA 122 18.363 -1.259 3.714 894 2HB ALA 122 2HB ALA 122 17.757 -2.683 4.559 895 3HB ALA 122 3HB ALA 122 16.700 -1.295 4.299 896 H TRP 123 H TRP 123 14.770 -1.603 1.837 897 HA TRP 123 HA TRP 123 13.107 -3.322 3.359 898 1HB TRP 123 1HB TRP 123 12.688 -1.343 1.179 899 2HB TRP 123 2HB TRP 123 11.405 -2.514 1.462 900 HD1 TRP 123 HD1 TRP 123 11.692 0.811 2.167 901 HE1 TRP 123 HE1 TRP 123 10.812 1.516 4.482 902 HE3 TRP 123 HE3 TRP 123 11.675 -3.728 4.489 903 HZ2 TRP 123 HZ2 TRP 123 10.204 0.276 6.933 904 HZ3 TRP 123 HZ3 TRP 123 10.933 -3.892 6.809 905 HH2 TRP 123 HH2 TRP 123 10.205 -1.907 8.019 906 H ILE 124 H ILE 124 14.772 -3.754 0.407 907 HA ILE 124 HA ILE 124 13.291 -6.259 -0.066 908 HB ILE 124 HB ILE 124 13.909 -6.003 -2.488 909 1HG1 ILE 124 1HG1 ILE 124 14.056 -3.191 -2.642 910 2HG1 ILE 124 2HG1 ILE 124 15.236 -3.675 -1.428 911 1HG2 ILE 124 1HG2 ILE 124 12.048 -4.013 -1.209 912 2HG2 ILE 124 2HG2 ILE 124 12.107 -4.323 -2.944 913 3HG2 ILE 124 3HG2 ILE 124 11.654 -5.615 -1.832 914 1HD1 ILE 124 1HD1 ILE 124 16.077 -5.347 -3.141 915 2HD1 ILE 124 2HD1 ILE 124 15.100 -4.465 -4.314 916 3HD1 ILE 124 3HD1 ILE 124 16.400 -3.642 -3.454 917 H ARG 125 H ARG 125 15.977 -5.252 1.220 918 HA ARG 125 HA ARG 125 18.066 -6.478 -0.233 919 1HB ARG 125 1HB ARG 125 18.289 -4.769 1.627 920 2HB ARG 125 2HB ARG 125 17.992 -6.083 2.757 921 1HG ARG 125 1HG ARG 125 20.271 -6.052 2.748 922 2HG ARG 125 2HG ARG 125 19.970 -7.221 1.461 923 1HD ARG 125 1HD ARG 125 20.020 -5.150 -0.094 924 2HD ARG 125 2HD ARG 125 20.834 -4.362 1.257 925 HE ARG 125 HE ARG 125 22.035 -6.863 0.600 926 1HH1 ARG 125 1HH1 ARG 125 21.847 -3.514 -0.343 927 2HH1 ARG 125 2HH1 ARG 125 23.412 -3.501 -1.083 928 1HH2 ARG 125 1HH2 ARG 125 24.098 -6.855 -0.371 929 2HH2 ARG 125 2HH2 ARG 125 24.692 -5.400 -1.100 930 H GLY 126 H GLY 126 17.649 -8.560 -0.845 931 1HA GLY 126 1HA GLY 126 17.373 -10.510 1.359 932 2HA GLY 126 2HA GLY 126 18.298 -10.811 -0.104 933 H CYS 127 H CYS 127 15.629 -9.153 -1.058 934 HA CYS 127 HA CYS 127 13.612 -11.104 -0.974 935 1HB CYS 127 1HB CYS 127 14.035 -8.569 -2.336 936 2HB CYS 127 2HB CYS 127 12.839 -9.629 -3.052 937 H ARG 128 H ARG 128 12.579 -11.534 -3.379 938 HA ARG 128 HA ARG 128 14.681 -12.643 -5.089 939 1HB ARG 128 1HB ARG 128 13.529 -14.302 -3.347 940 2HB ARG 128 2HB ARG 128 12.299 -14.361 -4.603 941 1HG ARG 128 1HG ARG 128 13.771 -15.280 -6.167 942 2HG ARG 128 2HG ARG 128 15.193 -14.826 -5.225 943 1HD ARG 128 1HD ARG 128 14.819 -16.510 -3.639 944 2HD ARG 128 2HD ARG 128 13.152 -16.749 -4.159 945 HE ARG 128 HE ARG 128 15.482 -17.526 -5.792 946 1HH1 ARG 128 1HH1 ARG 128 12.282 -18.107 -4.542 947 2HH1 ARG 128 2HH1 ARG 128 12.081 -19.601 -5.394 948 1HH2 ARG 128 1HH2 ARG 128 15.225 -19.492 -6.918 949 2HH2 ARG 128 2HH2 ARG 128 13.755 -20.388 -6.744 950 H LEU 129 H LEU 129 14.188 -11.055 -6.610 951 HA LEU 129 HA LEU 129 11.667 -11.510 -8.050 952 1HB LEU 129 1HB LEU 129 11.652 -9.034 -8.551 953 2HB LEU 129 2HB LEU 129 11.230 -9.495 -6.913 954 HG LEU 129 HG LEU 129 13.980 -9.059 -6.816 955 1HD1 LEU 129 1HD1 LEU 129 13.747 -7.991 -9.058 956 2HD1 LEU 129 2HD1 LEU 129 12.679 -6.798 -8.319 957 3HD1 LEU 129 3HD1 LEU 129 14.360 -6.919 -7.799 958 1HD2 LEU 129 1HD2 LEU 129 11.526 -7.643 -5.910 959 2HD2 LEU 129 2HD2 LEU 129 12.812 -8.394 -4.965 960 3HD2 LEU 129 3HD2 LEU 129 13.082 -6.830 -5.734 No H/Q in entry = 960 Start of MODEL 29 1 H1 LYS 1 H1 LYS 1 -7.453 -8.538 0.402 2 H2 LYS 1 H2 LYS 1 -8.098 -10.033 0.860 3 H3 LYS 1 H3 LYS 1 -7.209 -9.119 1.973 4 HA LYS 1 HA LYS 1 -5.851 -10.907 1.181 5 1HB LYS 1 1HB LYS 1 -7.152 -10.150 -1.296 6 2HB LYS 1 2HB LYS 1 -5.410 -10.250 -1.507 7 1HG LYS 1 1HG LYS 1 -6.055 -12.395 -1.995 8 2HG LYS 1 2HG LYS 1 -5.669 -12.531 -0.278 9 1HD LYS 1 1HD LYS 1 -7.711 -13.401 -0.028 10 2HD LYS 1 2HD LYS 1 -8.323 -11.765 -0.287 11 1HE LYS 1 1HE LYS 1 -9.348 -12.458 -2.129 12 2HE LYS 1 2HE LYS 1 -7.782 -12.866 -2.831 13 1HZ LYS 1 1HZ LYS 1 -8.171 -14.980 -1.280 14 2HZ LYS 1 2HZ LYS 1 -9.782 -14.597 -1.625 15 3HZ LYS 1 3HZ LYS 1 -8.698 -14.908 -2.886 16 H VAL 2 H VAL 2 -3.966 -10.258 1.968 17 HA VAL 2 HA VAL 2 -2.842 -7.699 1.036 18 HB VAL 2 HB VAL 2 -2.360 -9.180 3.625 19 1HG1 VAL 2 1HG1 VAL 2 -0.459 -7.744 2.379 20 2HG1 VAL 2 2HG1 VAL 2 -1.297 -6.452 3.236 21 3HG1 VAL 2 3HG1 VAL 2 -0.624 -7.811 4.134 22 1HG2 VAL 2 1HG2 VAL 2 -4.413 -7.496 2.967 23 2HG2 VAL 2 2HG2 VAL 2 -3.828 -7.802 4.602 24 3HG2 VAL 2 3HG2 VAL 2 -3.245 -6.400 3.705 25 H PHE 3 H PHE 3 -0.953 -7.702 -0.059 26 HA PHE 3 HA PHE 3 0.314 -10.209 -0.688 27 1HB PHE 3 1HB PHE 3 1.097 -7.363 -1.364 28 2HB PHE 3 2HB PHE 3 1.889 -8.798 -1.999 29 HD1 PHE 3 HD1 PHE 3 -1.230 -9.987 -1.989 30 HD2 PHE 3 HD2 PHE 3 0.974 -6.855 -3.842 31 HE1 PHE 3 HE1 PHE 3 -2.798 -10.003 -3.882 32 HE2 PHE 3 HE2 PHE 3 -0.587 -6.865 -5.733 33 HZ PHE 3 HZ PHE 3 -2.477 -8.441 -5.761 34 H GLY 4 H GLY 4 2.871 -10.055 -0.679 35 1HA GLY 4 1HA GLY 4 4.428 -10.649 1.042 36 2HA GLY 4 2HA GLY 4 3.619 -9.508 2.111 37 H ARG 5 H ARG 5 6.473 -9.732 1.357 38 HA ARG 5 HA ARG 5 6.840 -6.933 0.640 39 1HB ARG 5 1HB ARG 5 8.566 -9.026 1.903 40 2HB ARG 5 2HB ARG 5 9.319 -7.625 1.155 41 1HG ARG 5 1HG ARG 5 9.116 -6.975 3.357 42 2HG ARG 5 2HG ARG 5 7.682 -6.261 2.617 43 1HD ARG 5 1HD ARG 5 7.283 -7.414 4.807 44 2HD ARG 5 2HD ARG 5 6.283 -7.983 3.470 45 HE ARG 5 HE ARG 5 7.702 -9.937 3.342 46 1HH1 ARG 5 1HH1 ARG 5 8.056 -7.955 6.186 47 2HH1 ARG 5 2HH1 ARG 5 8.743 -9.224 7.143 48 1HH2 ARG 5 1HH2 ARG 5 8.606 -11.614 4.593 49 2HH2 ARG 5 2HH2 ARG 5 9.057 -11.304 6.238 50 H CYS 6 H CYS 6 8.339 -10.029 -0.339 51 HA CYS 6 HA CYS 6 9.297 -8.771 -2.752 52 1HB CYS 6 1HB CYS 6 9.448 -11.720 -2.394 53 2HB CYS 6 2HB CYS 6 10.609 -10.593 -3.085 54 H GLU 7 H GLU 7 6.750 -11.035 -1.840 55 HA GLU 7 HA GLU 7 5.991 -12.047 -4.274 56 1HB GLU 7 1HB GLU 7 4.320 -11.080 -1.958 57 2HB GLU 7 2HB GLU 7 3.585 -11.802 -3.382 58 1HG GLU 7 1HG GLU 7 5.150 -13.778 -2.963 59 2HG GLU 7 2HG GLU 7 5.403 -13.068 -1.369 60 H LEU 8 H LEU 8 4.964 -8.959 -2.867 61 HA LEU 8 HA LEU 8 3.662 -8.052 -5.212 62 1HB LEU 8 1HB LEU 8 2.999 -7.000 -3.209 63 2HB LEU 8 2HB LEU 8 4.655 -6.651 -2.746 64 HG LEU 8 HG LEU 8 4.737 -5.098 -4.773 65 1HD1 LEU 8 1HD1 LEU 8 2.690 -6.048 -5.827 66 2HD1 LEU 8 2HD1 LEU 8 1.741 -5.284 -4.552 67 3HD1 LEU 8 3HD1 LEU 8 2.679 -4.291 -5.668 68 1HD2 LEU 8 1HD2 LEU 8 2.973 -4.520 -2.405 69 2HD2 LEU 8 2HD2 LEU 8 4.691 -4.166 -2.588 70 3HD2 LEU 8 3HD2 LEU 8 3.502 -3.292 -3.555 71 H ALA 9 H ALA 9 6.987 -7.700 -3.952 72 HA ALA 9 HA ALA 9 7.849 -5.734 -5.752 73 1HB ALA 9 1HB ALA 9 9.638 -7.945 -4.818 74 2HB ALA 9 2HB ALA 9 10.026 -6.252 -5.122 75 3HB ALA 9 3HB ALA 9 9.060 -6.696 -3.716 76 H ALA 10 H ALA 10 8.144 -9.288 -6.040 77 HA ALA 10 HA ALA 10 9.317 -9.419 -8.525 78 1HB ALA 10 1HB ALA 10 9.016 -11.613 -8.241 79 2HB ALA 10 2HB ALA 10 7.263 -11.433 -8.284 80 3HB ALA 10 3HB ALA 10 8.132 -11.235 -6.762 81 H ALA 11 H ALA 11 5.936 -8.968 -7.628 82 HA ALA 11 HA ALA 11 4.892 -9.048 -10.237 83 1HB ALA 11 1HB ALA 11 3.785 -7.572 -7.869 84 2HB ALA 11 2HB ALA 11 3.497 -9.276 -8.222 85 3HB ALA 11 3HB ALA 11 2.896 -8.034 -9.319 86 H MET 12 H MET 12 6.176 -6.536 -8.289 87 HA MET 12 HA MET 12 5.536 -4.306 -9.868 88 1HB MET 12 1HB MET 12 8.103 -4.565 -8.319 89 2HB MET 12 2HB MET 12 7.217 -3.103 -8.680 90 1HG MET 12 1HG MET 12 6.353 -5.282 -6.809 91 2HG MET 12 2HG MET 12 6.967 -3.695 -6.361 92 1HE MET 12 1HE MET 12 5.899 -1.715 -8.060 93 2HE MET 12 2HE MET 12 4.211 -1.330 -7.726 94 3HE MET 12 3HE MET 12 5.372 -1.421 -6.403 95 H LYS 13 H LYS 13 8.472 -6.305 -9.807 96 HA LYS 13 HA LYS 13 9.946 -5.045 -11.767 97 1HB LYS 13 1HB LYS 13 10.618 -7.027 -10.312 98 2HB LYS 13 2HB LYS 13 9.798 -8.047 -11.488 99 1HG LYS 13 1HG LYS 13 11.370 -6.670 -13.149 100 2HG LYS 13 2HG LYS 13 12.361 -6.594 -11.691 101 1HD LYS 13 1HD LYS 13 13.124 -8.605 -12.315 102 2HD LYS 13 2HD LYS 13 11.574 -9.221 -11.740 103 1HE LYS 13 1HE LYS 13 10.647 -8.951 -14.000 104 2HE LYS 13 2HE LYS 13 12.217 -8.378 -14.564 105 1HZ LYS 13 1HZ LYS 13 12.993 -10.646 -13.545 106 2HZ LYS 13 2HZ LYS 13 11.383 -11.086 -13.821 107 3HZ LYS 13 3HZ LYS 13 12.351 -10.570 -15.109 108 H ARG 14 H ARG 14 7.541 -7.621 -12.150 109 HA ARG 14 HA ARG 14 7.694 -7.783 -14.954 110 1HB ARG 14 1HB ARG 14 5.368 -8.409 -13.122 111 2HB ARG 14 2HB ARG 14 5.499 -8.908 -14.803 112 1HG ARG 14 1HG ARG 14 7.846 -9.741 -13.428 113 2HG ARG 14 2HG ARG 14 6.431 -10.242 -12.498 114 1HD ARG 14 1HD ARG 14 5.711 -10.838 -15.081 115 2HD ARG 14 2HD ARG 14 7.434 -11.211 -15.062 116 HE ARG 14 HE ARG 14 6.946 -12.684 -13.140 117 1HH1 ARG 14 1HH1 ARG 14 4.355 -11.768 -15.282 118 2HH1 ARG 14 2HH1 ARG 14 3.386 -13.155 -14.912 119 1HH2 ARG 14 1HH2 ARG 14 5.678 -14.513 -12.648 120 2HH2 ARG 14 2HH2 ARG 14 4.139 -14.716 -13.416 121 H HIS 15 H HIS 15 5.701 -5.815 -12.771 122 HA HIS 15 HA HIS 15 4.155 -4.680 -14.870 123 1HB HIS 15 1HB HIS 15 4.423 -4.309 -11.933 124 2HB HIS 15 2HB HIS 15 3.705 -2.992 -12.855 125 HD1 HIS 15 HD1 HIS 15 2.390 -5.214 -10.785 126 HD2 HIS 15 HD2 HIS 15 1.862 -4.822 -14.888 127 HE1 HIS 15 HE1 HIS 15 0.189 -6.318 -11.288 128 HE2 HIS 15 HE2 HIS 15 -0.067 -6.148 -13.788 129 H GLY 16 H GLY 16 7.379 -4.126 -14.027 130 1HA GLY 16 1HA GLY 16 7.446 -1.838 -15.696 131 2HA GLY 16 2HA GLY 16 8.802 -2.594 -14.891 132 H LEU 17 H LEU 17 7.388 -2.141 -12.154 133 HA LEU 17 HA LEU 17 7.496 0.759 -12.100 134 1HB LEU 17 1HB LEU 17 7.145 -0.910 -9.650 135 2HB LEU 17 2HB LEU 17 6.552 0.705 -9.973 136 HG LEU 17 HG LEU 17 5.346 -1.914 -10.572 137 1HD1 LEU 17 1HD1 LEU 17 4.717 0.392 -9.142 138 2HD1 LEU 17 2HD1 LEU 17 3.614 0.395 -10.517 139 3HD1 LEU 17 3HD1 LEU 17 3.670 -0.997 -9.435 140 1HD2 LEU 17 1HD2 LEU 17 5.347 0.338 -12.551 141 2HD2 LEU 17 2HD2 LEU 17 5.484 -1.396 -12.835 142 3HD2 LEU 17 3HD2 LEU 17 3.930 -0.698 -12.381 143 H ASP 18 H ASP 18 9.672 -1.633 -11.941 144 HA ASP 18 HA ASP 18 11.329 -0.676 -9.816 145 1HB ASP 18 1HB ASP 18 11.806 -2.883 -10.200 146 2HB ASP 18 2HB ASP 18 11.599 -2.745 -11.935 147 H ASN 19 H ASN 19 11.784 1.411 -10.049 148 HA ASN 19 HA ASN 19 12.877 3.287 -10.684 149 1HB ASN 19 1HB ASN 19 14.626 1.189 -11.302 150 2HB ASN 19 2HB ASN 19 14.605 2.195 -12.748 151 2HD2 ASN 19 2HD2 ASN 19 14.583 4.656 -12.073 152 1HD2 ASN 19 1HD2 ASN 19 15.842 5.088 -10.973 153 H TYR 20 H TYR 20 10.507 2.560 -11.968 154 HA TYR 20 HA TYR 20 10.666 3.061 -14.771 155 1HB TYR 20 1HB TYR 20 8.701 1.992 -13.591 156 2HB TYR 20 2HB TYR 20 8.305 3.581 -12.943 157 HD1 TYR 20 HD1 TYR 20 8.901 1.858 -16.203 158 HD2 TYR 20 HD2 TYR 20 6.833 4.932 -14.113 159 HE1 TYR 20 HE1 TYR 20 7.597 2.351 -18.229 160 HE2 TYR 20 HE2 TYR 20 5.523 5.434 -16.132 161 HH TYR 20 HH TYR 20 5.039 4.809 -18.217 162 H ARG 21 H ARG 21 9.600 5.131 -15.701 163 HA ARG 21 HA ARG 21 10.993 7.315 -15.518 164 1HB ARG 21 1HB ARG 21 7.992 7.157 -15.583 165 2HB ARG 21 2HB ARG 21 8.819 8.706 -15.673 166 1HG ARG 21 1HG ARG 21 9.948 8.042 -17.691 167 2HG ARG 21 2HG ARG 21 9.276 6.415 -17.572 168 1HD ARG 21 1HD ARG 21 7.834 7.373 -19.081 169 2HD ARG 21 2HD ARG 21 6.989 7.685 -17.565 170 HE ARG 21 HE ARG 21 7.475 9.944 -17.778 171 1HH1 ARG 21 1HH1 ARG 21 9.059 8.100 -20.275 172 2HH1 ARG 21 2HH1 ARG 21 9.467 9.491 -21.222 173 1HH2 ARG 21 1HH2 ARG 21 8.009 11.780 -19.019 174 2HH2 ARG 21 2HH2 ARG 21 8.870 11.583 -20.508 175 H GLY 22 H GLY 22 8.701 6.351 -13.056 176 1HA GLY 22 1HA GLY 22 8.186 7.263 -10.993 177 2HA GLY 22 2HA GLY 22 9.145 8.675 -11.410 178 H TYR 23 H TYR 23 9.080 5.655 -9.764 179 HA TYR 23 HA TYR 23 11.913 6.006 -9.065 180 1HB TYR 23 1HB TYR 23 9.583 5.610 -7.210 181 2HB TYR 23 2HB TYR 23 11.244 5.321 -6.707 182 HD1 TYR 23 HD1 TYR 23 8.972 7.928 -8.063 183 HD2 TYR 23 HD2 TYR 23 12.601 7.109 -5.999 184 HE1 TYR 23 HE1 TYR 23 9.214 10.320 -7.555 185 HE2 TYR 23 HE2 TYR 23 12.853 9.500 -5.484 186 HH TYR 23 HH TYR 23 10.823 11.575 -5.331 187 H SER 24 H SER 24 12.627 4.167 -7.527 188 HA SER 24 HA SER 24 12.454 1.760 -9.095 189 1HB SER 24 1HB SER 24 14.330 0.990 -7.815 190 2HB SER 24 2HB SER 24 14.614 2.682 -8.220 191 HG SER 24 HG SER 24 15.072 2.442 -6.069 192 H LEU 25 H LEU 25 12.402 -0.343 -7.980 193 HA LEU 25 HA LEU 25 10.007 -1.003 -6.957 194 1HB LEU 25 1HB LEU 25 12.661 -2.188 -7.022 195 2HB LEU 25 2HB LEU 25 11.707 -2.763 -5.668 196 HG LEU 25 HG LEU 25 10.452 -2.735 -8.356 197 1HD1 LEU 25 1HD1 LEU 25 12.574 -4.666 -7.456 198 2HD1 LEU 25 2HD1 LEU 25 11.393 -5.048 -8.709 199 3HD1 LEU 25 3HD1 LEU 25 12.525 -3.715 -8.941 200 1HD2 LEU 25 1HD2 LEU 25 10.321 -4.513 -5.927 201 2HD2 LEU 25 2HD2 LEU 25 9.095 -3.379 -6.494 202 3HD2 LEU 25 3HD2 LEU 25 9.456 -4.829 -7.431 203 H GLY 26 H GLY 26 12.883 -0.532 -4.875 204 1HA GLY 26 1HA GLY 26 13.041 0.346 -2.750 205 2HA GLY 26 2HA GLY 26 11.841 -0.888 -2.412 206 H ASN 27 H ASN 27 11.394 2.039 -4.353 207 HA ASN 27 HA ASN 27 10.125 3.515 -2.282 208 1HB ASN 27 1HB ASN 27 9.862 3.931 -5.262 209 2HB ASN 27 2HB ASN 27 9.538 5.114 -3.997 210 2HD2 ASN 27 2HD2 ASN 27 11.940 3.532 -5.886 211 1HD2 ASN 27 1HD2 ASN 27 13.291 4.460 -5.339 212 H TRP 28 H TRP 28 8.955 1.354 -4.788 213 HA TRP 28 HA TRP 28 6.191 1.955 -4.464 214 1HB TRP 28 1HB TRP 28 7.574 -0.456 -5.633 215 2HB TRP 28 2HB TRP 28 5.838 -0.149 -5.730 216 HD1 TRP 28 HD1 TRP 28 9.108 0.798 -7.295 217 HE1 TRP 28 HE1 TRP 28 8.709 2.478 -9.194 218 HE3 TRP 28 HE3 TRP 28 4.171 1.773 -6.465 219 HZ2 TRP 28 HZ2 TRP 28 6.562 4.005 -10.235 220 HZ3 TRP 28 HZ3 TRP 28 2.996 3.339 -7.950 221 HH2 TRP 28 HH2 TRP 28 4.172 4.438 -9.804 222 H VAL 29 H VAL 29 8.342 -0.518 -3.106 223 HA VAL 29 HA VAL 29 6.317 -1.917 -1.730 224 HB VAL 29 HB VAL 29 9.272 -1.749 -1.127 225 1HG1 VAL 29 1HG1 VAL 29 7.251 -2.887 0.396 226 2HG1 VAL 29 2HG1 VAL 29 7.969 -4.243 -0.472 227 3HG1 VAL 29 3HG1 VAL 29 8.981 -3.202 0.528 228 1HG2 VAL 29 1HG2 VAL 29 8.578 -2.495 -3.454 229 2HG2 VAL 29 2HG2 VAL 29 9.605 -3.601 -2.541 230 3HG2 VAL 29 3HG2 VAL 29 7.874 -3.913 -2.676 231 H CYS 30 H CYS 30 8.664 0.517 -0.705 232 HA CYS 30 HA CYS 30 7.955 0.673 1.973 233 1HB CYS 30 1HB CYS 30 9.894 1.772 0.652 234 2HB CYS 30 2HB CYS 30 8.759 3.089 0.380 235 H ALA 31 H ALA 31 6.747 2.604 -0.765 236 HA ALA 31 HA ALA 31 4.937 4.161 0.720 237 1HB ALA 31 1HB ALA 31 4.716 3.433 -2.193 238 2HB ALA 31 2HB ALA 31 4.022 4.838 -1.386 239 3HB ALA 31 3HB ALA 31 5.771 4.695 -1.558 240 H ALA 32 H ALA 32 4.447 1.171 -1.139 241 HA ALA 32 HA ALA 32 1.656 1.023 -0.681 242 1HB ALA 32 1HB ALA 32 2.210 -0.273 -2.463 243 2HB ALA 32 2HB ALA 32 2.214 -1.517 -1.212 244 3HB ALA 32 3HB ALA 32 3.734 -0.801 -1.749 245 H LYS 33 H LYS 33 4.381 -0.688 0.854 246 HA LYS 33 HA LYS 33 3.085 -2.319 2.593 247 1HB LYS 33 1HB LYS 33 5.537 -2.206 2.315 248 2HB LYS 33 2HB LYS 33 5.555 -0.699 3.218 249 1HG LYS 33 1HG LYS 33 4.411 -2.093 5.080 250 2HG LYS 33 2HG LYS 33 5.049 -3.475 4.188 251 1HD LYS 33 1HD LYS 33 7.087 -3.140 5.018 252 2HD LYS 33 2HD LYS 33 7.076 -1.458 4.482 253 1HE LYS 33 1HE LYS 33 7.390 -1.550 6.877 254 2HE LYS 33 2HE LYS 33 5.816 -0.847 6.508 255 1HZ LYS 33 1HZ LYS 33 5.412 -3.571 6.746 256 2HZ LYS 33 2HZ LYS 33 6.421 -3.149 8.038 257 3HZ LYS 33 3HZ LYS 33 4.934 -2.367 7.834 258 H PHE 34 H PHE 34 4.138 0.996 3.385 259 HA PHE 34 HA PHE 34 2.696 0.964 5.826 260 1HB PHE 34 1HB PHE 34 4.352 2.880 4.404 261 2HB PHE 34 2HB PHE 34 3.203 3.567 5.534 262 HD1 PHE 34 HD1 PHE 34 3.188 2.329 7.890 263 HD2 PHE 34 HD2 PHE 34 6.451 2.368 5.159 264 HE1 PHE 34 HE1 PHE 34 4.734 1.832 9.737 265 HE2 PHE 34 HE2 PHE 34 8.004 1.870 7.002 266 HZ PHE 34 HZ PHE 34 7.146 1.602 9.295 267 H GLU 35 H GLU 35 1.823 1.749 2.608 268 HA GLU 35 HA GLU 35 -0.217 3.602 3.111 269 1HB GLU 35 1HB GLU 35 0.898 2.234 0.900 270 2HB GLU 35 2HB GLU 35 -0.835 1.938 0.862 271 1HG GLU 35 1HG GLU 35 -1.347 4.169 0.575 272 2HG GLU 35 2HG GLU 35 0.185 4.715 1.255 273 H SER 36 H SER 36 -0.441 0.119 2.451 274 HA SER 36 HA SER 36 -2.981 0.068 3.954 275 1HB SER 36 1HB SER 36 -3.710 -1.657 2.185 276 2HB SER 36 2HB SER 36 -3.663 0.032 1.680 277 HG SER 36 HG SER 36 -1.288 -1.283 1.339 278 H ASN 37 H ASN 37 -0.015 -0.927 4.286 279 HA ASN 37 HA ASN 37 1.028 -2.717 5.261 280 1HB ASN 37 1HB ASN 37 -1.831 -3.260 6.082 281 2HB ASN 37 2HB ASN 37 -0.498 -4.296 6.583 282 2HD2 ASN 37 2HD2 ASN 37 -1.327 -0.847 6.459 283 1HD2 ASN 37 1HD2 ASN 37 -0.692 -0.465 8.020 284 H PHE 38 H PHE 38 0.125 -2.731 2.546 285 HA PHE 38 HA PHE 38 0.264 -3.983 0.729 286 1HB PHE 38 1HB PHE 38 0.976 -6.108 2.733 287 2HB PHE 38 2HB PHE 38 0.836 -6.458 1.012 288 HD1 PHE 38 HD1 PHE 38 1.935 -4.076 -0.226 289 HD2 PHE 38 HD2 PHE 38 3.245 -6.194 3.224 290 HE1 PHE 38 HE1 PHE 38 4.215 -3.236 -0.588 291 HE2 PHE 38 HE2 PHE 38 5.530 -5.353 2.871 292 HZ PHE 38 HZ PHE 38 6.020 -3.881 0.960 293 H ASN 39 H ASN 39 -2.223 -3.586 2.332 294 HA ASN 39 HA ASN 39 -3.823 -5.902 1.617 295 1HB ASN 39 1HB ASN 39 -4.085 -4.274 3.693 296 2HB ASN 39 2HB ASN 39 -5.050 -3.344 2.552 297 2HD2 ASN 39 2HD2 ASN 39 -6.280 -5.284 1.107 298 1HD2 ASN 39 1HD2 ASN 39 -7.328 -6.208 2.122 299 H THR 40 H THR 40 -4.287 -6.117 -0.446 300 HA THR 40 HA THR 40 -4.496 -3.829 -2.199 301 HB THR 40 HB THR 40 -4.249 -5.300 -3.942 302 HG1 THR 40 HG1 THR 40 -5.075 -7.652 -2.765 303 1HG2 THR 40 1HG2 THR 40 -2.696 -5.857 -1.732 304 2HG2 THR 40 2HG2 THR 40 -3.254 -7.445 -2.258 305 3HG2 THR 40 3HG2 THR 40 -2.388 -6.398 -3.383 306 H GLN 41 H GLN 41 -6.573 -5.809 -0.376 307 HA GLN 41 HA GLN 41 -8.915 -5.089 -1.976 308 1HB GLN 41 1HB GLN 41 -8.239 -7.244 -0.059 309 2HB GLN 41 2HB GLN 41 -9.902 -6.698 -0.074 310 1HG GLN 41 1HG GLN 41 -8.674 -7.281 -2.693 311 2HG GLN 41 2HG GLN 41 -8.990 -8.655 -1.634 312 2HE2 GLN 41 2HE2 GLN 41 -10.727 -9.604 -2.456 313 1HE2 GLN 41 1HE2 GLN 41 -12.224 -8.820 -2.818 314 H ALA 42 H ALA 42 -7.215 -3.740 0.455 315 HA ALA 42 HA ALA 42 -9.420 -3.048 2.191 316 1HB ALA 42 1HB ALA 42 -7.599 -1.596 3.278 317 2HB ALA 42 2HB ALA 42 -6.489 -2.459 2.213 318 3HB ALA 42 3HB ALA 42 -7.459 -3.350 3.386 319 H THR 43 H THR 43 -10.022 -0.941 2.703 320 HA THR 43 HA THR 43 -9.624 1.065 0.574 321 HB THR 43 HB THR 43 -11.861 1.588 0.458 322 HG1 THR 43 HG1 THR 43 -13.255 0.709 2.355 323 1HG2 THR 43 1HG2 THR 43 -11.531 -0.800 -0.211 324 2HG2 THR 43 2HG2 THR 43 -12.093 -1.273 1.393 325 3HG2 THR 43 3HG2 THR 43 -13.175 -0.416 0.296 326 H ASN 44 H ASN 44 -9.408 3.221 1.292 327 HA ASN 44 HA ASN 44 -9.380 3.589 4.214 328 1HB ASN 44 1HB ASN 44 -7.093 3.415 2.926 329 2HB ASN 44 2HB ASN 44 -7.450 5.080 2.479 330 2HD2 ASN 44 2HD2 ASN 44 -8.224 6.420 4.437 331 1HD2 ASN 44 1HD2 ASN 44 -7.254 6.269 5.859 332 H ARG 45 H ARG 45 -11.242 4.722 4.436 333 HA ARG 45 HA ARG 45 -12.049 6.784 2.633 334 1HB ARG 45 1HB ARG 45 -13.365 5.278 4.454 335 2HB ARG 45 2HB ARG 45 -13.174 6.767 5.369 336 1HG ARG 45 1HG ARG 45 -14.478 7.990 3.905 337 2HG ARG 45 2HG ARG 45 -14.239 6.849 2.580 338 1HD ARG 45 1HD ARG 45 -15.744 6.153 5.090 339 2HD ARG 45 2HD ARG 45 -16.524 6.842 3.668 340 HE ARG 45 HE ARG 45 -15.708 4.844 2.448 341 1HH1 ARG 45 1HH1 ARG 45 -16.026 4.743 5.916 342 2HH1 ARG 45 2HH1 ARG 45 -16.219 3.023 5.976 343 1HH2 ARG 45 1HH2 ARG 45 -15.962 2.580 2.518 344 2HH2 ARG 45 2HH2 ARG 45 -16.182 1.793 4.045 345 H ASN 46 H ASN 46 -11.426 8.830 2.578 346 HA ASN 46 HA ASN 46 -9.896 9.899 4.844 347 1HB ASN 46 1HB ASN 46 -10.060 11.237 2.166 348 2HB ASN 46 2HB ASN 46 -8.764 11.289 3.356 349 2HD2 ASN 46 2HD2 ASN 46 -7.865 8.990 3.821 350 1HD2 ASN 46 1HD2 ASN 46 -7.476 8.069 2.413 351 H THR 47 H THR 47 -10.091 12.417 4.933 352 HA THR 47 HA THR 47 -12.867 12.965 5.535 353 HB THR 47 HB THR 47 -12.013 15.112 6.448 354 HG1 THR 47 HG1 THR 47 -10.211 15.542 5.249 355 1HG2 THR 47 1HG2 THR 47 -10.922 12.472 7.317 356 2HG2 THR 47 2HG2 THR 47 -10.381 13.936 8.138 357 3HG2 THR 47 3HG2 THR 47 -12.095 13.522 8.113 358 H ASP 48 H ASP 48 -10.701 13.551 2.956 359 HA ASP 48 HA ASP 48 -11.870 15.966 1.982 360 1HB ASP 48 1HB ASP 48 -10.640 15.352 -0.141 361 2HB ASP 48 2HB ASP 48 -9.640 15.505 1.300 362 H GLY 49 H GLY 49 -13.019 12.848 2.127 363 1HA GLY 49 1HA GLY 49 -14.978 13.432 0.006 364 2HA GLY 49 2HA GLY 49 -15.272 12.404 1.400 365 H SER 50 H SER 50 -12.352 12.234 -0.528 366 HA SER 50 HA SER 50 -13.290 10.021 -2.111 367 1HB SER 50 1HB SER 50 -10.652 9.957 -2.565 368 2HB SER 50 2HB SER 50 -11.715 11.123 -3.351 369 HG SER 50 HG SER 50 -10.912 12.691 -2.146 370 H THR 51 H THR 51 -11.651 8.089 -2.232 371 HA THR 51 HA THR 51 -10.886 7.205 0.455 372 HB THR 51 HB THR 51 -12.440 5.365 -1.346 373 HG1 THR 51 HG1 THR 51 -14.305 5.990 -0.321 374 1HG2 THR 51 1HG2 THR 51 -10.981 4.845 0.882 375 2HG2 THR 51 2HG2 THR 51 -12.572 5.139 1.585 376 3HG2 THR 51 3HG2 THR 51 -12.367 3.888 0.359 377 H ASP 52 H ASP 52 -9.590 5.178 0.397 378 HA ASP 52 HA ASP 52 -7.948 5.060 -2.048 379 1HB ASP 52 1HB ASP 52 -7.196 4.429 0.815 380 2HB ASP 52 2HB ASP 52 -6.129 4.251 -0.574 381 H TYR 53 H TYR 53 -9.096 3.498 -3.129 382 HA TYR 53 HA TYR 53 -9.623 0.990 -1.761 383 1HB TYR 53 1HB TYR 53 -10.317 1.832 -4.577 384 2HB TYR 53 2HB TYR 53 -10.845 0.356 -3.776 385 HD1 TYR 53 HD1 TYR 53 -12.310 0.574 -1.709 386 HD2 TYR 53 HD2 TYR 53 -11.547 3.817 -4.352 387 HE1 TYR 53 HE1 TYR 53 -14.297 1.735 -0.845 388 HE2 TYR 53 HE2 TYR 53 -13.532 4.988 -3.497 389 HH TYR 53 HH TYR 53 -15.679 3.476 -1.121 390 H GLY 54 H GLY 54 -7.349 0.467 -1.537 391 1HA GLY 54 1HA GLY 54 -5.902 -0.168 -3.972 392 2HA GLY 54 2HA GLY 54 -6.505 -1.582 -3.134 393 H ILE 55 H ILE 55 -4.120 -1.921 -3.373 394 HA ILE 55 HA ILE 55 -2.892 -1.613 -0.796 395 HB ILE 55 HB ILE 55 -2.575 -3.627 -2.300 396 1HG1 ILE 55 1HG1 ILE 55 -0.028 -2.191 -1.510 397 2HG1 ILE 55 2HG1 ILE 55 -1.050 -3.112 -0.409 398 1HG2 ILE 55 1HG2 ILE 55 -2.319 -2.315 -4.391 399 2HG2 ILE 55 2HG2 ILE 55 -0.728 -1.801 -3.830 400 3HG2 ILE 55 3HG2 ILE 55 -1.042 -3.507 -4.148 401 1HD1 ILE 55 1HD1 ILE 55 -0.136 -4.546 -2.811 402 2HD1 ILE 55 2HD1 ILE 55 1.109 -4.116 -1.639 403 3HD1 ILE 55 3HD1 ILE 55 -0.272 -5.090 -1.138 404 H LEU 56 H LEU 56 -2.969 0.065 -3.771 405 HA LEU 56 HA LEU 56 -0.730 1.786 -2.955 406 1HB LEU 56 1HB LEU 56 -1.241 0.541 -5.439 407 2HB LEU 56 2HB LEU 56 -1.587 2.243 -5.671 408 HG LEU 56 HG LEU 56 0.665 2.059 -6.287 409 1HD1 LEU 56 1HD1 LEU 56 0.066 3.694 -4.299 410 2HD1 LEU 56 2HD1 LEU 56 1.206 2.667 -3.430 411 3HD1 LEU 56 3HD1 LEU 56 1.718 3.513 -4.889 412 1HD2 LEU 56 1HD2 LEU 56 0.659 -0.108 -4.338 413 2HD2 LEU 56 2HD2 LEU 56 1.638 0.114 -5.789 414 3HD2 LEU 56 3HD2 LEU 56 2.121 0.878 -4.275 415 H GLN 57 H GLN 57 -3.888 1.579 -2.614 416 HA GLN 57 HA GLN 57 -5.520 3.042 -2.089 417 1HB GLN 57 1HB GLN 57 -3.434 5.175 -2.564 418 2HB GLN 57 2HB GLN 57 -4.977 5.403 -1.753 419 1HG GLN 57 1HG GLN 57 -4.170 3.625 -0.107 420 2HG GLN 57 2HG GLN 57 -2.573 3.883 -0.811 421 2HE2 GLN 57 2HE2 GLN 57 -2.283 6.454 -1.134 422 1HE2 GLN 57 1HE2 GLN 57 -2.485 7.334 0.338 423 H ILE 58 H ILE 58 -6.401 2.222 -4.248 424 HA ILE 58 HA ILE 58 -6.181 4.138 -6.409 425 HB ILE 58 HB ILE 58 -8.005 1.746 -6.338 426 1HG1 ILE 58 1HG1 ILE 58 -5.886 0.814 -5.807 427 2HG1 ILE 58 2HG1 ILE 58 -6.091 0.574 -7.538 428 1HG2 ILE 58 1HG2 ILE 58 -7.495 3.775 -8.226 429 2HG2 ILE 58 2HG2 ILE 58 -6.780 2.292 -8.859 430 3HG2 ILE 58 3HG2 ILE 58 -8.488 2.331 -8.422 431 1HD1 ILE 58 1HD1 ILE 58 -4.681 2.568 -7.931 432 2HD1 ILE 58 2HD1 ILE 58 -4.406 2.670 -6.193 433 3HD1 ILE 58 3HD1 ILE 58 -3.843 1.263 -7.094 434 H ASN 59 H ASN 59 -7.163 5.984 -5.671 435 HA ASN 59 HA ASN 59 -9.638 6.084 -4.354 436 1HB ASN 59 1HB ASN 59 -8.039 7.955 -4.371 437 2HB ASN 59 2HB ASN 59 -8.313 8.177 -6.098 438 2HD2 ASN 59 2HD2 ASN 59 -8.865 10.362 -5.442 439 1HD2 ASN 59 1HD2 ASN 59 -10.472 10.697 -4.903 440 H SER 60 H SER 60 -11.285 4.960 -5.304 441 HA SER 60 HA SER 60 -11.768 4.848 -8.073 442 1HB SER 60 1HB SER 60 -13.614 3.573 -7.550 443 2HB SER 60 2HB SER 60 -12.693 3.409 -6.055 444 HG SER 60 HG SER 60 -14.866 5.158 -6.565 445 H ARG 61 H ARG 61 -12.146 7.449 -5.978 446 HA ARG 61 HA ARG 61 -14.479 8.581 -7.267 447 1HB ARG 61 1HB ARG 61 -13.897 8.936 -4.834 448 2HB ARG 61 2HB ARG 61 -12.564 9.948 -5.373 449 1HG ARG 61 1HG ARG 61 -13.917 11.664 -5.951 450 2HG ARG 61 2HG ARG 61 -15.236 10.602 -6.448 451 1HD ARG 61 1HD ARG 61 -15.798 10.171 -4.128 452 2HD ARG 61 2HD ARG 61 -14.431 11.148 -3.593 453 HE ARG 61 HE ARG 61 -16.735 12.258 -5.064 454 1HH1 ARG 61 1HH1 ARG 61 -14.313 12.443 -2.565 455 2HH1 ARG 61 2HH1 ARG 61 -14.813 14.008 -2.018 456 1HH2 ARG 61 1HH2 ARG 61 -17.400 14.318 -4.349 457 2HH2 ARG 61 2HH2 ARG 61 -16.568 15.073 -3.031 458 H TRP 62 H TRP 62 -11.045 9.451 -6.983 459 HA TRP 62 HA TRP 62 -11.243 11.404 -9.098 460 1HB TRP 62 1HB TRP 62 -9.490 10.992 -6.985 461 2HB TRP 62 2HB TRP 62 -8.535 10.562 -8.400 462 HD1 TRP 62 HD1 TRP 62 -9.015 12.630 -10.486 463 HE1 TRP 62 HE1 TRP 62 -8.634 15.149 -10.123 464 HE3 TRP 62 HE3 TRP 62 -9.281 12.765 -5.382 465 HZ2 TRP 62 HZ2 TRP 62 -8.468 16.954 -7.960 466 HZ3 TRP 62 HZ3 TRP 62 -9.000 14.928 -4.244 467 HH2 TRP 62 HH2 TRP 62 -8.601 16.979 -5.507 468 H TRP 63 H TRP 63 -9.829 8.198 -8.670 469 HA TRP 63 HA TRP 63 -9.351 8.041 -11.568 470 1HB TRP 63 1HB TRP 63 -8.302 6.133 -9.471 471 2HB TRP 63 2HB TRP 63 -7.758 6.317 -11.135 472 HD1 TRP 63 HD1 TRP 63 -6.687 7.190 -7.776 473 HE1 TRP 63 HE1 TRP 63 -4.983 9.124 -7.820 474 HE3 TRP 63 HE3 TRP 63 -7.460 8.811 -12.534 475 HZ2 TRP 63 HZ2 TRP 63 -4.092 11.094 -9.659 476 HZ3 TRP 63 HZ3 TRP 63 -6.188 10.718 -13.369 477 HH2 TRP 63 HH2 TRP 63 -4.520 11.844 -11.965 478 H CYS 64 H CYS 64 -9.782 5.990 -12.600 479 HA CYS 64 HA CYS 64 -11.288 4.480 -13.346 480 1HB CYS 64 1HB CYS 64 -11.267 2.534 -12.116 481 2HB CYS 64 2HB CYS 64 -9.929 3.401 -11.374 482 H ASN 65 H ASN 65 -13.392 3.776 -13.532 483 HA ASN 65 HA ASN 65 -15.332 5.508 -12.183 484 1HB ASN 65 1HB ASN 65 -15.360 5.385 -14.662 485 2HB ASN 65 2HB ASN 65 -15.714 3.663 -14.553 486 2HD2 ASN 65 2HD2 ASN 65 -17.751 3.259 -14.964 487 1HD2 ASN 65 1HD2 ASN 65 -19.103 4.227 -14.495 488 H ASP 66 H ASP 66 -16.007 4.678 -10.304 489 HA ASP 66 HA ASP 66 -16.387 1.797 -10.040 490 1HB ASP 66 1HB ASP 66 -16.528 2.170 -7.674 491 2HB ASP 66 2HB ASP 66 -15.169 3.109 -8.287 492 H GLY 67 H GLY 67 -18.231 4.719 -10.365 493 1HA GLY 67 1HA GLY 67 -20.639 3.248 -10.787 494 2HA GLY 67 2HA GLY 67 -20.480 4.995 -10.770 495 H ARG 68 H ARG 68 -19.306 3.379 -7.981 496 HA ARG 68 HA ARG 68 -21.829 3.517 -6.561 497 1HB ARG 68 1HB ARG 68 -19.103 2.461 -5.970 498 2HB ARG 68 2HB ARG 68 -20.146 2.872 -4.615 499 1HG ARG 68 1HG ARG 68 -21.172 0.926 -4.819 500 2HG ARG 68 2HG ARG 68 -21.684 1.363 -6.451 501 1HD ARG 68 1HD ARG 68 -20.495 -0.513 -6.944 502 2HD ARG 68 2HD ARG 68 -19.185 0.665 -7.008 503 HE ARG 68 HE ARG 68 -19.127 -0.121 -4.438 504 1HH1 ARG 68 1HH1 ARG 68 -19.212 -1.902 -7.431 505 2HH1 ARG 68 2HH1 ARG 68 -18.331 -3.254 -6.802 506 1HH2 ARG 68 1HH2 ARG 68 -17.965 -1.896 -3.601 507 2HH2 ARG 68 2HH2 ARG 68 -17.623 -3.250 -4.625 508 H THR 69 H THR 69 -19.415 5.674 -7.322 509 HA THR 69 HA THR 69 -20.113 7.373 -5.018 510 HB THR 69 HB THR 69 -17.439 7.520 -6.399 511 HG1 THR 69 HG1 THR 69 -16.861 5.800 -5.324 512 1HG2 THR 69 1HG2 THR 69 -18.405 9.415 -4.962 513 2HG2 THR 69 2HG2 THR 69 -18.139 8.334 -3.593 514 3HG2 THR 69 3HG2 THR 69 -16.776 8.852 -4.586 515 HA PRO 70 HA PRO 70 -21.719 9.713 -8.579 516 1HB PRO 70 1HB PRO 70 -22.407 11.519 -6.315 517 2HB PRO 70 2HB PRO 70 -23.420 10.945 -7.644 518 1HG PRO 70 1HG PRO 70 -23.702 9.944 -5.194 519 2HG PRO 70 2HG PRO 70 -23.831 8.902 -6.623 520 1HD PRO 70 1HD PRO 70 -21.578 9.191 -4.683 521 2HD PRO 70 2HD PRO 70 -22.179 7.738 -5.507 522 H GLY 71 H GLY 71 -19.950 10.521 -9.608 523 1HA GLY 71 1HA GLY 71 -18.484 12.706 -8.273 524 2HA GLY 71 2HA GLY 71 -19.075 12.885 -9.918 525 H SER 72 H SER 72 -18.354 9.818 -10.028 526 HA SER 72 HA SER 72 -15.560 9.614 -9.878 527 1HB SER 72 1HB SER 72 -17.594 7.859 -10.375 528 2HB SER 72 2HB SER 72 -16.851 7.987 -11.969 529 HG SER 72 HG SER 72 -15.722 7.095 -9.548 530 H ARG 73 H ARG 73 -14.101 10.707 -11.002 531 HA ARG 73 HA ARG 73 -14.726 12.135 -13.382 532 1HB ARG 73 1HB ARG 73 -12.405 11.808 -11.614 533 2HB ARG 73 2HB ARG 73 -11.987 12.079 -13.300 534 1HG ARG 73 1HG ARG 73 -13.969 13.949 -12.764 535 2HG ARG 73 2HG ARG 73 -12.957 13.936 -11.319 536 1HD ARG 73 1HD ARG 73 -10.972 14.106 -12.900 537 2HD ARG 73 2HD ARG 73 -12.145 14.479 -14.163 538 HE ARG 73 HE ARG 73 -12.444 16.144 -11.856 539 1HH1 ARG 73 1HH1 ARG 73 -10.634 15.696 -14.799 540 2HH1 ARG 73 2HH1 ARG 73 -10.222 17.371 -14.953 541 1HH2 ARG 73 1HH2 ARG 73 -11.906 18.351 -12.050 542 2HH2 ARG 73 2HH2 ARG 73 -10.944 18.880 -13.390 543 H ASN 74 H ASN 74 -12.964 9.148 -12.703 544 HA ASN 74 HA ASN 74 -12.405 7.366 -14.023 545 1HB ASN 74 1HB ASN 74 -14.782 7.945 -14.990 546 2HB ASN 74 2HB ASN 74 -13.866 8.548 -16.368 547 2HD2 ASN 74 2HD2 ASN 74 -14.549 7.005 -17.788 548 1HD2 ASN 74 1HD2 ASN 74 -14.103 5.341 -17.670 549 H LEU 75 H LEU 75 -10.778 9.639 -13.788 550 HA LEU 75 HA LEU 75 -9.657 10.655 -16.127 551 1HB LEU 75 1HB LEU 75 -8.920 10.227 -13.310 552 2HB LEU 75 2HB LEU 75 -7.578 10.457 -14.405 553 HG LEU 75 HG LEU 75 -9.922 12.352 -14.044 554 1HD1 LEU 75 1HD1 LEU 75 -8.427 12.182 -12.062 555 2HD1 LEU 75 2HD1 LEU 75 -7.089 12.710 -13.082 556 3HD1 LEU 75 3HD1 LEU 75 -8.462 13.782 -12.802 557 1HD2 LEU 75 1HD2 LEU 75 -7.667 12.257 -15.931 558 2HD2 LEU 75 2HD2 LEU 75 -9.241 13.040 -16.075 559 3HD2 LEU 75 3HD2 LEU 75 -7.946 13.823 -15.169 560 H CYS 76 H CYS 76 -8.863 7.999 -14.128 561 HA CYS 76 HA CYS 76 -6.706 6.983 -15.672 562 1HB CYS 76 1HB CYS 76 -7.650 6.766 -13.136 563 2HB CYS 76 2HB CYS 76 -8.102 5.211 -13.819 564 H ASN 77 H ASN 77 -10.132 6.427 -15.411 565 HA ASN 77 HA ASN 77 -11.623 5.144 -16.573 566 1HB ASN 77 1HB ASN 77 -10.246 6.510 -18.419 567 2HB ASN 77 2HB ASN 77 -9.766 4.882 -18.889 568 2HD2 ASN 77 2HD2 ASN 77 -11.651 7.104 -19.924 569 1HD2 ASN 77 1HD2 ASN 77 -13.071 6.226 -20.370 570 H ILE 78 H ILE 78 -10.320 3.708 -14.809 571 HA ILE 78 HA ILE 78 -9.616 1.235 -16.218 572 HB ILE 78 HB ILE 78 -7.819 0.854 -14.927 573 1HG1 ILE 78 1HG1 ILE 78 -9.592 1.817 -12.753 574 2HG1 ILE 78 2HG1 ILE 78 -8.548 0.403 -12.808 575 1HG2 ILE 78 1HG2 ILE 78 -7.791 3.279 -15.808 576 2HG2 ILE 78 2HG2 ILE 78 -7.956 3.724 -14.110 577 3HG2 ILE 78 3HG2 ILE 78 -6.566 2.779 -14.642 578 1HD1 ILE 78 1HD1 ILE 78 -6.610 2.000 -12.510 579 2HD1 ILE 78 2HD1 ILE 78 -7.816 3.232 -12.137 580 3HD1 ILE 78 3HD1 ILE 78 -7.684 1.792 -11.127 581 HA PRO 79 HA PRO 79 -12.752 -0.721 -13.765 582 1HB PRO 79 1HB PRO 79 -11.409 -3.262 -13.720 583 2HB PRO 79 2HB PRO 79 -12.726 -2.754 -14.777 584 1HG PRO 79 1HG PRO 79 -10.154 -3.280 -15.623 585 2HG PRO 79 2HG PRO 79 -11.314 -2.264 -16.495 586 1HD PRO 79 1HD PRO 79 -9.043 -1.462 -14.724 587 2HD PRO 79 2HD PRO 79 -9.634 -0.702 -16.218 588 H CYS 80 H CYS 80 -12.774 -0.074 -11.674 589 HA CYS 80 HA CYS 80 -10.613 -0.186 -9.915 590 1HB CYS 80 1HB CYS 80 -13.410 -0.240 -8.866 591 2HB CYS 80 2HB CYS 80 -12.033 0.727 -8.340 592 H SER 81 H SER 81 -13.552 -2.235 -9.820 593 HA SER 81 HA SER 81 -12.712 -3.952 -7.818 594 1HB SER 81 1HB SER 81 -14.448 -5.430 -8.512 595 2HB SER 81 2HB SER 81 -15.014 -3.798 -8.865 596 HG SER 81 HG SER 81 -14.293 -4.154 -11.043 597 H ALA 82 H ALA 82 -11.680 -3.859 -11.133 598 HA ALA 82 HA ALA 82 -10.743 -6.545 -11.300 599 1HB ALA 82 1HB ALA 82 -11.212 -4.738 -13.162 600 2HB ALA 82 2HB ALA 82 -10.032 -6.027 -13.404 601 3HB ALA 82 3HB ALA 82 -9.493 -4.412 -12.946 602 H LEU 83 H LEU 83 -9.625 -3.953 -9.535 603 HA LEU 83 HA LEU 83 -6.840 -4.893 -9.589 604 1HB LEU 83 1HB LEU 83 -6.141 -2.817 -8.844 605 2HB LEU 83 2HB LEU 83 -7.475 -2.419 -9.908 606 HG LEU 83 HG LEU 83 -8.768 -2.586 -7.523 607 1HD1 LEU 83 1HD1 LEU 83 -5.954 -2.310 -6.923 608 2HD1 LEU 83 2HD1 LEU 83 -6.886 -0.937 -6.325 609 3HD1 LEU 83 3HD1 LEU 83 -7.319 -2.576 -5.838 610 1HD2 LEU 83 1HD2 LEU 83 -8.734 -0.781 -9.310 611 2HD2 LEU 83 2HD2 LEU 83 -8.959 -0.245 -7.645 612 3HD2 LEU 83 3HD2 LEU 83 -7.384 -0.075 -8.421 613 H LEU 84 H LEU 84 -9.639 -5.260 -7.821 614 HA LEU 84 HA LEU 84 -8.269 -5.542 -5.263 615 1HB LEU 84 1HB LEU 84 -11.182 -6.063 -5.633 616 2HB LEU 84 2HB LEU 84 -10.336 -5.392 -4.251 617 HG LEU 84 HG LEU 84 -10.723 -3.924 -6.857 618 1HD1 LEU 84 1HD1 LEU 84 -12.753 -4.542 -5.224 619 2HD1 LEU 84 2HD1 LEU 84 -12.166 -3.079 -4.433 620 3HD1 LEU 84 3HD1 LEU 84 -12.654 -3.030 -6.127 621 1HD2 LEU 84 1HD2 LEU 84 -8.778 -3.314 -5.369 622 2HD2 LEU 84 2HD2 LEU 84 -9.911 -2.014 -5.730 623 3HD2 LEU 84 3HD2 LEU 84 -9.967 -2.822 -4.163 624 H SER 85 H SER 85 -9.271 -7.509 -7.875 625 HA SER 85 HA SER 85 -9.786 -9.868 -6.352 626 1HB SER 85 1HB SER 85 -8.975 -10.103 -9.205 627 2HB SER 85 2HB SER 85 -10.306 -10.879 -8.346 628 HG SER 85 HG SER 85 -11.223 -8.654 -8.290 629 H SER 86 H SER 86 -7.427 -8.776 -5.553 630 HA SER 86 HA SER 86 -5.340 -9.382 -4.869 631 1HB SER 86 1HB SER 86 -5.982 -12.007 -6.250 632 2HB SER 86 2HB SER 86 -4.624 -11.728 -5.160 633 HG SER 86 HG SER 86 -6.472 -11.004 -3.677 634 H ASP 87 H ASP 87 -6.068 -8.205 -7.427 635 HA ASP 87 HA ASP 87 -3.664 -8.834 -8.996 636 1HB ASP 87 1HB ASP 87 -5.929 -9.443 -9.931 637 2HB ASP 87 2HB ASP 87 -6.288 -7.723 -9.969 638 H ILE 88 H ILE 88 -2.204 -7.207 -8.730 639 HA ILE 88 HA ILE 88 -3.119 -4.545 -8.065 640 HB ILE 88 HB ILE 88 -0.507 -4.141 -8.369 641 1HG1 ILE 88 1HG1 ILE 88 -0.380 -6.938 -7.346 642 2HG1 ILE 88 2HG1 ILE 88 -0.476 -6.706 -9.089 643 1HG2 ILE 88 1HG2 ILE 88 -2.143 -5.152 -6.124 644 2HG2 ILE 88 2HG2 ILE 88 -0.394 -5.130 -5.904 645 3HG2 ILE 88 3HG2 ILE 88 -1.252 -3.640 -6.293 646 1HD1 ILE 88 1HD1 ILE 88 1.484 -4.934 -8.014 647 2HD1 ILE 88 2HD1 ILE 88 1.792 -6.574 -7.442 648 3HD1 ILE 88 3HD1 ILE 88 1.682 -6.250 -9.172 649 H THR 89 H THR 89 -2.714 -6.236 -10.903 650 HA THR 89 HA THR 89 -1.384 -4.628 -12.659 651 HB THR 89 HB THR 89 -4.042 -5.858 -13.371 652 HG1 THR 89 HG1 THR 89 -3.121 -7.814 -13.326 653 1HG2 THR 89 1HG2 THR 89 -2.115 -4.514 -14.869 654 2HG2 THR 89 2HG2 THR 89 -1.836 -6.223 -15.209 655 3HG2 THR 89 3HG2 THR 89 -3.427 -5.516 -15.491 656 H ALA 90 H ALA 90 -4.893 -4.357 -12.001 657 HA ALA 90 HA ALA 90 -5.252 -2.041 -13.474 658 1HB ALA 90 1HB ALA 90 -6.835 -3.597 -11.569 659 2HB ALA 90 2HB ALA 90 -7.276 -1.894 -11.692 660 3HB ALA 90 3HB ALA 90 -7.284 -2.914 -13.132 661 H SER 91 H SER 91 -4.661 -2.486 -9.998 662 HA SER 91 HA SER 91 -4.886 0.220 -9.250 663 1HB SER 91 1HB SER 91 -2.962 -1.000 -7.575 664 2HB SER 91 2HB SER 91 -4.678 -0.763 -7.246 665 HG SER 91 HG SER 91 -4.494 -2.904 -7.144 666 H VAL 92 H VAL 92 -2.232 -1.646 -10.501 667 HA VAL 92 HA VAL 92 -0.316 0.431 -10.040 668 HB VAL 92 HB VAL 92 -0.098 -2.064 -11.721 669 1HG1 VAL 92 1HG1 VAL 92 1.845 0.199 -11.299 670 2HG1 VAL 92 2HG1 VAL 92 2.388 -1.422 -11.734 671 3HG1 VAL 92 3HG1 VAL 92 1.319 -0.528 -12.817 672 1HG2 VAL 92 1HG2 VAL 92 0.609 -1.304 -8.952 673 2HG2 VAL 92 2HG2 VAL 92 0.138 -2.869 -9.613 674 3HG2 VAL 92 3HG2 VAL 92 1.788 -2.284 -9.823 675 H ASN 93 H ASN 93 -1.924 -0.827 -12.965 676 HA ASN 93 HA ASN 93 -0.821 0.751 -14.823 677 1HB ASN 93 1HB ASN 93 -2.321 -0.308 -16.048 678 2HB ASN 93 2HB ASN 93 -3.131 -0.806 -14.587 679 2HD2 ASN 93 2HD2 ASN 93 -5.071 0.037 -14.095 680 1HD2 ASN 93 1HD2 ASN 93 -5.865 1.266 -15.013 681 H CYS 94 H CYS 94 -3.264 1.584 -12.492 682 HA CYS 94 HA CYS 94 -3.828 4.167 -13.500 683 1HB CYS 94 1HB CYS 94 -5.076 2.662 -11.707 684 2HB CYS 94 2HB CYS 94 -4.090 3.597 -10.585 685 H ALA 95 H ALA 95 -1.711 3.022 -10.861 686 HA ALA 95 HA ALA 95 -0.722 5.635 -10.287 687 1HB ALA 95 1HB ALA 95 -0.658 3.487 -8.838 688 2HB ALA 95 2HB ALA 95 0.892 3.236 -9.642 689 3HB ALA 95 3HB ALA 95 0.612 4.705 -8.708 690 H LYS 96 H LYS 96 0.347 3.040 -12.401 691 HA LYS 96 HA LYS 96 2.882 3.894 -13.065 692 1HB LYS 96 1HB LYS 96 1.543 1.829 -13.904 693 2HB LYS 96 2HB LYS 96 0.954 2.910 -15.161 694 1HG LYS 96 1HG LYS 96 3.792 3.142 -14.991 695 2HG LYS 96 2HG LYS 96 3.351 1.438 -15.112 696 1HD LYS 96 1HD LYS 96 1.888 3.240 -16.917 697 2HD LYS 96 2HD LYS 96 3.619 3.106 -17.233 698 1HE LYS 96 1HE LYS 96 3.353 1.097 -18.146 699 2HE LYS 96 2HE LYS 96 2.503 0.511 -16.717 700 1HZ LYS 96 1HZ LYS 96 1.097 2.191 -18.687 701 2HZ LYS 96 2HZ LYS 96 1.294 0.536 -18.974 702 3HZ LYS 96 3HZ LYS 96 0.461 1.060 -17.599 703 H LYS 97 H LYS 97 -0.275 4.874 -14.023 704 HA LYS 97 HA LYS 97 0.561 6.924 -15.882 705 1HB LYS 97 1HB LYS 97 -1.708 5.553 -15.764 706 2HB LYS 97 2HB LYS 97 -2.187 6.875 -14.709 707 1HG LYS 97 1HG LYS 97 -1.648 8.473 -16.496 708 2HG LYS 97 2HG LYS 97 -1.230 7.123 -17.554 709 1HD LYS 97 1HD LYS 97 -3.562 6.253 -17.187 710 2HD LYS 97 2HD LYS 97 -3.926 7.779 -16.379 711 1HE LYS 97 1HE LYS 97 -4.448 8.587 -18.388 712 2HE LYS 97 2HE LYS 97 -2.725 8.543 -18.756 713 1HZ LYS 97 1HZ LYS 97 -3.150 6.158 -19.462 714 2HZ LYS 97 2HZ LYS 97 -4.796 6.547 -19.439 715 3HZ LYS 97 3HZ LYS 97 -3.748 7.372 -20.478 716 H ILE 98 H ILE 98 -0.349 6.664 -12.514 717 HA ILE 98 HA ILE 98 -0.738 9.377 -11.960 718 HB ILE 98 HB ILE 98 0.181 7.158 -10.158 719 1HG1 ILE 98 1HG1 ILE 98 -2.472 8.610 -10.350 720 2HG1 ILE 98 2HG1 ILE 98 -2.140 7.052 -11.100 721 1HG2 ILE 98 1HG2 ILE 98 0.162 10.020 -9.713 722 2HG2 ILE 98 2HG2 ILE 98 -0.890 9.174 -8.577 723 3HG2 ILE 98 3HG2 ILE 98 0.812 8.728 -8.704 724 1HD1 ILE 98 1HD1 ILE 98 -1.669 7.331 -8.183 725 2HD1 ILE 98 2HD1 ILE 98 -3.331 7.240 -8.765 726 3HD1 ILE 98 3HD1 ILE 98 -2.200 5.934 -9.118 727 H VAL 99 H VAL 99 2.112 7.347 -11.633 728 HA VAL 99 HA VAL 99 3.855 9.481 -10.917 729 HB VAL 99 HB VAL 99 4.125 6.981 -10.393 730 1HG1 VAL 99 1HG1 VAL 99 4.051 6.458 -12.926 731 2HG1 VAL 99 2HG1 VAL 99 5.751 6.926 -12.903 732 3HG1 VAL 99 3HG1 VAL 99 5.193 5.583 -11.905 733 1HG2 VAL 99 1HG2 VAL 99 6.318 8.855 -11.193 734 2HG2 VAL 99 2HG2 VAL 99 5.759 8.421 -9.577 735 3HG2 VAL 99 3HG2 VAL 99 6.677 7.258 -10.535 736 H SER 100 H SER 100 2.706 8.219 -13.911 737 HA SER 100 HA SER 100 4.899 9.353 -15.453 738 1HB SER 100 1HB SER 100 3.763 7.204 -16.119 739 2HB SER 100 2HB SER 100 2.318 8.150 -16.479 740 HG SER 100 HG SER 100 3.673 9.369 -17.951 741 H ASP 101 H ASP 101 2.113 10.417 -14.009 742 HA ASP 101 HA ASP 101 1.565 12.504 -15.992 743 1HB ASP 101 1HB ASP 101 -0.270 11.111 -14.829 744 2HB ASP 101 2HB ASP 101 0.055 12.113 -13.417 745 H GLY 102 H GLY 102 3.492 12.026 -13.335 746 1HA GLY 102 1HA GLY 102 3.649 14.935 -12.859 747 2HA GLY 102 2HA GLY 102 5.003 13.825 -12.720 748 H ASN 103 H ASN 103 3.983 11.814 -11.184 749 HA ASN 103 HA ASN 103 3.804 13.131 -8.603 750 1HB ASN 103 1HB ASN 103 1.609 11.459 -9.774 751 2HB ASN 103 2HB ASN 103 1.893 11.422 -8.036 752 2HD2 ASN 103 2HD2 ASN 103 -0.009 12.741 -10.242 753 1HD2 ASN 103 1HD2 ASN 103 -0.346 14.273 -9.517 754 H GLY 104 H GLY 104 5.687 12.265 -7.888 755 1HA GLY 104 1HA GLY 104 7.248 10.670 -7.297 756 2HA GLY 104 2HA GLY 104 6.425 9.538 -8.358 757 H MET 105 H MET 105 7.505 9.367 -5.539 758 HA MET 105 HA MET 105 5.328 7.822 -4.461 759 1HB MET 105 1HB MET 105 7.791 8.379 -2.878 760 2HB MET 105 2HB MET 105 6.889 6.880 -3.054 761 1HG MET 105 1HG MET 105 8.744 8.095 -5.089 762 2HG MET 105 2HG MET 105 9.074 6.694 -4.072 763 1HE MET 105 1HE MET 105 7.063 4.707 -4.040 764 2HE MET 105 2HE MET 105 5.728 5.803 -4.397 765 3HE MET 105 3HE MET 105 6.027 4.410 -5.437 766 H ASN 106 H ASN 106 6.030 10.999 -4.511 767 HA ASN 106 HA ASN 106 5.598 11.736 -1.794 768 1HB ASN 106 1HB ASN 106 5.088 13.640 -4.031 769 2HB ASN 106 2HB ASN 106 5.947 13.883 -2.518 770 2HD2 ASN 106 2HD2 ASN 106 6.229 13.237 -5.812 771 1HD2 ASN 106 1HD2 ASN 106 7.931 12.943 -5.860 772 H ALA 107 H ALA 107 3.565 11.380 -4.652 773 HA ALA 107 HA ALA 107 1.275 12.705 -3.896 774 1HB ALA 107 1HB ALA 107 1.670 10.171 -5.455 775 2HB ALA 107 2HB ALA 107 0.065 10.849 -5.184 776 3HB ALA 107 3HB ALA 107 1.285 11.787 -6.047 777 H TRP 108 H TRP 108 2.183 9.371 -3.108 778 HA TRP 108 HA TRP 108 -0.088 9.011 -1.381 779 1HB TRP 108 1HB TRP 108 2.371 7.287 -1.777 780 2HB TRP 108 2HB TRP 108 0.916 6.809 -0.903 781 HD1 TRP 108 HD1 TRP 108 -1.320 6.392 -2.384 782 HE1 TRP 108 HE1 TRP 108 -1.619 5.768 -4.864 783 HE3 TRP 108 HE3 TRP 108 3.350 7.580 -4.089 784 HZ2 TRP 108 HZ2 TRP 108 -0.078 5.781 -7.244 785 HZ3 TRP 108 HZ3 TRP 108 3.857 7.248 -6.471 786 HH2 TRP 108 HH2 TRP 108 2.181 6.365 -8.012 787 H VAL 109 H VAL 109 -0.232 9.464 0.694 788 HA VAL 109 HA VAL 109 1.806 10.911 2.030 789 HB VAL 109 HB VAL 109 -0.315 9.893 3.686 790 1HG1 VAL 109 1HG1 VAL 109 1.185 12.358 3.244 791 2HG1 VAL 109 2HG1 VAL 109 -0.502 12.600 3.695 792 3HG1 VAL 109 3HG1 VAL 109 0.564 11.662 4.741 793 1HG2 VAL 109 1HG2 VAL 109 -1.468 9.985 1.499 794 2HG2 VAL 109 2HG2 VAL 109 -2.117 11.133 2.671 795 3HG2 VAL 109 3HG2 VAL 109 -1.042 11.693 1.390 796 H ALA 110 H ALA 110 0.923 7.544 2.101 797 HA ALA 110 HA ALA 110 2.025 6.954 4.646 798 1HB ALA 110 1HB ALA 110 1.679 5.118 2.280 799 2HB ALA 110 2HB ALA 110 1.932 4.629 3.954 800 3HB ALA 110 3HB ALA 110 0.448 5.464 3.494 801 H TRP 111 H TRP 111 3.404 7.604 1.604 802 HA TRP 111 HA TRP 111 5.932 6.324 2.265 803 1HB TRP 111 1HB TRP 111 5.208 6.198 -0.055 804 2HB TRP 111 2HB TRP 111 5.138 7.949 -0.160 805 HD1 TRP 111 HD1 TRP 111 7.521 5.043 -0.419 806 HE1 TRP 111 HE1 TRP 111 9.855 5.898 -1.090 807 HE3 TRP 111 HE3 TRP 111 6.743 10.066 0.145 808 HZ2 TRP 111 HZ2 TRP 111 11.188 8.370 -1.345 809 HZ3 TRP 111 HZ3 TRP 111 8.601 11.608 -0.333 810 HH2 TRP 111 HH2 TRP 111 10.777 10.776 -1.063 811 H ARG 112 H ARG 112 4.533 9.587 2.087 812 HA ARG 112 HA ARG 112 7.091 10.760 2.848 813 1HB ARG 112 1HB ARG 112 4.695 11.651 1.513 814 2HB ARG 112 2HB ARG 112 5.105 12.718 2.849 815 1HG ARG 112 1HG ARG 112 7.355 13.005 1.921 816 2HG ARG 112 2HG ARG 112 6.920 11.956 0.570 817 1HD ARG 112 1HD ARG 112 6.771 14.358 0.012 818 2HD ARG 112 2HD ARG 112 5.232 13.514 -0.158 819 HE ARG 112 HE ARG 112 5.771 14.967 2.326 820 1HH1 ARG 112 1HH1 ARG 112 4.026 14.694 -0.679 821 2HH1 ARG 112 2HH1 ARG 112 2.817 15.850 -0.231 822 1HH2 ARG 112 1HH2 ARG 112 4.184 16.490 2.924 823 2HH2 ARG 112 2HH2 ARG 112 2.907 16.873 1.816 824 H ASN 113 H ASN 113 6.076 9.070 4.771 825 HA ASN 113 HA ASN 113 5.698 10.935 6.961 826 1HB ASN 113 1HB ASN 113 3.459 9.621 5.847 827 2HB ASN 113 2HB ASN 113 3.793 8.827 7.382 828 2HD2 ASN 113 2HD2 ASN 113 3.983 10.205 9.278 829 1HD2 ASN 113 1HD2 ASN 113 3.036 11.648 9.362 830 H ARG 114 H ARG 114 5.255 7.450 6.443 831 HA ARG 114 HA ARG 114 7.033 6.938 8.708 832 1HB ARG 114 1HB ARG 114 4.825 5.473 7.374 833 2HB ARG 114 2HB ARG 114 6.112 4.509 8.075 834 1HG ARG 114 1HG ARG 114 5.362 4.843 10.143 835 2HG ARG 114 2HG ARG 114 5.208 6.582 9.883 836 1HD ARG 114 1HD ARG 114 3.215 4.741 8.645 837 2HD ARG 114 2HD ARG 114 3.096 5.101 10.366 838 HE ARG 114 HE ARG 114 3.033 7.163 8.257 839 1HH1 ARG 114 1HH1 ARG 114 1.987 5.875 11.321 840 2HH1 ARG 114 2HH1 ARG 114 0.901 7.185 11.647 841 1HH2 ARG 114 1HH2 ARG 114 1.606 8.891 8.679 842 2HH2 ARG 114 2HH2 ARG 114 0.685 8.900 10.145 843 H CYS 115 H CYS 115 7.275 7.224 5.437 844 HA CYS 115 HA CYS 115 9.364 5.161 5.255 845 1HB CYS 115 1HB CYS 115 7.542 4.868 3.651 846 2HB CYS 115 2HB CYS 115 7.812 6.494 3.035 847 H LYS 116 H LYS 116 8.623 8.516 4.322 848 HA LYS 116 HA LYS 116 11.121 9.119 3.218 849 1HB LYS 116 1HB LYS 116 8.898 10.457 3.186 850 2HB LYS 116 2HB LYS 116 9.479 11.157 4.690 851 1HG LYS 116 1HG LYS 116 11.647 11.579 3.239 852 2HG LYS 116 2HG LYS 116 10.477 11.508 1.920 853 1HD LYS 116 1HD LYS 116 10.302 13.723 2.385 854 2HD LYS 116 2HD LYS 116 9.146 13.128 3.578 855 1HE LYS 116 1HE LYS 116 10.363 14.108 5.158 856 2HE LYS 116 2HE LYS 116 11.657 12.964 4.804 857 1HZ LYS 116 1HZ LYS 116 12.008 14.771 2.867 858 2HZ LYS 116 2HZ LYS 116 11.424 15.763 4.107 859 3HZ LYS 116 3HZ LYS 116 12.807 14.821 4.359 860 H GLY 117 H GLY 117 12.798 8.339 4.496 861 1HA GLY 117 1HA GLY 117 13.032 9.428 7.211 862 2HA GLY 117 2HA GLY 117 14.300 9.792 6.052 863 H THR 118 H THR 118 13.254 6.770 5.244 864 HA THR 118 HA THR 118 15.244 5.504 7.010 865 HB THR 118 HB THR 118 13.954 3.404 6.797 866 HG1 THR 118 HG1 THR 118 11.672 3.823 6.042 867 1HG2 THR 118 1HG2 THR 118 12.837 5.850 8.059 868 2HG2 THR 118 2HG2 THR 118 11.815 4.414 8.018 869 3HG2 THR 118 3HG2 THR 118 13.394 4.349 8.798 870 H ASP 119 H ASP 119 14.890 2.970 5.499 871 HA ASP 119 HA ASP 119 16.175 3.704 2.972 872 1HB ASP 119 1HB ASP 119 17.657 2.841 4.933 873 2HB ASP 119 2HB ASP 119 17.070 1.297 4.360 874 H VAL 120 H VAL 120 14.819 3.093 1.421 875 HA VAL 120 HA VAL 120 13.002 0.909 1.715 876 HB VAL 120 HB VAL 120 12.260 1.417 -0.519 877 1HG1 VAL 120 1HG1 VAL 120 11.614 2.943 1.335 878 2HG1 VAL 120 2HG1 VAL 120 12.927 4.018 0.852 879 3HG1 VAL 120 3HG1 VAL 120 11.590 3.707 -0.255 880 1HG2 VAL 120 1HG2 VAL 120 14.953 2.501 -0.791 881 2HG2 VAL 120 2HG2 VAL 120 13.842 1.905 -2.024 882 3HG2 VAL 120 3HG2 VAL 120 13.707 3.565 -1.444 883 H GLN 121 H GLN 121 16.131 1.412 0.230 884 HA GLN 121 HA GLN 121 16.230 -0.843 -1.427 885 1HB GLN 121 1HB GLN 121 18.012 1.180 -0.605 886 2HB GLN 121 2HB GLN 121 18.789 -0.342 -0.191 887 1HG GLN 121 1HG GLN 121 17.594 -0.143 -2.886 888 2HG GLN 121 2HG GLN 121 19.037 0.821 -2.573 889 2HE2 GLN 121 2HE2 GLN 121 20.708 -0.561 -1.228 890 1HE2 GLN 121 1HE2 GLN 121 21.065 -2.100 -1.925 891 H ALA 122 H ALA 122 16.407 -0.457 1.983 892 HA ALA 122 HA ALA 122 17.436 -3.139 2.438 893 1HB ALA 122 1HB ALA 122 17.589 -0.766 3.869 894 2HB ALA 122 2HB ALA 122 16.470 -1.766 4.797 895 3HB ALA 122 3HB ALA 122 18.087 -2.365 4.425 896 H TRP 123 H TRP 123 14.435 -1.473 2.173 897 HA TRP 123 HA TRP 123 12.833 -3.155 3.797 898 1HB TRP 123 1HB TRP 123 12.325 -1.185 1.628 899 2HB TRP 123 2HB TRP 123 11.040 -2.330 1.994 900 HD1 TRP 123 HD1 TRP 123 11.354 0.980 2.625 901 HE1 TRP 123 HE1 TRP 123 10.648 1.734 4.984 902 HE3 TRP 123 HE3 TRP 123 11.559 -3.502 5.046 903 HZ2 TRP 123 HZ2 TRP 123 10.243 0.547 7.502 904 HZ3 TRP 123 HZ3 TRP 123 11.000 -3.616 7.419 905 HH2 TRP 123 HH2 TRP 123 10.347 -1.609 8.635 906 H ILE 124 H ILE 124 14.349 -3.666 0.790 907 HA ILE 124 HA ILE 124 12.683 -6.052 0.317 908 HB ILE 124 HB ILE 124 13.591 -5.905 -2.058 909 1HG1 ILE 124 1HG1 ILE 124 13.873 -2.971 -1.612 910 2HG1 ILE 124 2HG1 ILE 124 15.225 -4.001 -1.152 911 1HG2 ILE 124 1HG2 ILE 124 11.279 -5.148 -1.038 912 2HG2 ILE 124 2HG2 ILE 124 11.849 -3.556 -1.537 913 3HG2 ILE 124 3HG2 ILE 124 11.683 -4.846 -2.728 914 1HD1 ILE 124 1HD1 ILE 124 14.314 -4.746 -3.752 915 2HD1 ILE 124 2HD1 ILE 124 14.592 -3.005 -3.696 916 3HD1 ILE 124 3HD1 ILE 124 15.887 -4.119 -3.255 917 H ARG 125 H ARG 125 15.342 -5.352 1.806 918 HA ARG 125 HA ARG 125 17.401 -6.805 0.536 919 1HB ARG 125 1HB ARG 125 17.524 -5.139 2.518 920 2HB ARG 125 2HB ARG 125 17.171 -6.539 3.522 921 1HG ARG 125 1HG ARG 125 19.231 -7.397 3.279 922 2HG ARG 125 2HG ARG 125 19.347 -6.914 1.585 923 1HD ARG 125 1HD ARG 125 20.414 -5.012 2.088 924 2HD ARG 125 2HD ARG 125 19.327 -4.655 3.429 925 HE ARG 125 HE ARG 125 21.109 -6.758 4.100 926 1HH1 ARG 125 1HH1 ARG 125 20.950 -3.301 3.692 927 2HH1 ARG 125 2HH1 ARG 125 22.240 -2.982 4.803 928 1HH2 ARG 125 1HH2 ARG 125 22.808 -6.346 5.563 929 2HH2 ARG 125 2HH2 ARG 125 23.296 -4.712 5.866 930 H GLY 126 H GLY 126 16.653 -8.788 -0.172 931 1HA GLY 126 1HA GLY 126 15.540 -10.640 1.800 932 2HA GLY 126 2HA GLY 126 17.076 -11.073 1.066 933 H CYS 127 H CYS 127 15.333 -9.363 -1.190 934 HA CYS 127 HA CYS 127 14.174 -11.803 -2.321 935 1HB CYS 127 1HB CYS 127 13.278 -9.172 -3.225 936 2HB CYS 127 2HB CYS 127 12.375 -10.661 -3.098 937 H ARG 128 H ARG 128 14.556 -12.288 -4.451 938 HA ARG 128 HA ARG 128 16.011 -10.447 -6.135 939 1HB ARG 128 1HB ARG 128 17.630 -11.870 -4.588 940 2HB ARG 128 2HB ARG 128 17.330 -13.105 -5.803 941 1HG ARG 128 1HG ARG 128 18.915 -12.196 -7.048 942 2HG ARG 128 2HG ARG 128 17.911 -10.754 -7.216 943 1HD ARG 128 1HD ARG 128 19.923 -9.934 -6.371 944 2HD ARG 128 2HD ARG 128 18.888 -10.054 -4.949 945 HE ARG 128 HE ARG 128 20.455 -12.409 -5.365 946 1HH1 ARG 128 1HH1 ARG 128 20.510 -9.175 -4.067 947 2HH1 ARG 128 2HH1 ARG 128 21.781 -9.512 -2.939 948 1HH2 ARG 128 1HH2 ARG 128 22.127 -12.860 -3.882 949 2HH2 ARG 128 2HH2 ARG 128 22.699 -11.607 -2.833 950 H LEU 129 H LEU 129 13.608 -11.115 -6.697 951 HA LEU 129 HA LEU 129 13.536 -13.517 -8.344 952 1HB LEU 129 1HB LEU 129 11.129 -11.930 -8.395 953 2HB LEU 129 2HB LEU 129 11.366 -13.572 -7.827 954 HG LEU 129 HG LEU 129 12.362 -12.364 -5.706 955 1HD1 LEU 129 1HD1 LEU 129 10.851 -10.226 -7.124 956 2HD1 LEU 129 2HD1 LEU 129 10.772 -10.307 -5.364 957 3HD1 LEU 129 3HD1 LEU 129 12.331 -10.123 -6.169 958 1HD2 LEU 129 1HD2 LEU 129 9.500 -12.836 -6.432 959 2HD2 LEU 129 2HD2 LEU 129 10.551 -13.763 -5.362 960 3HD2 LEU 129 3HD2 LEU 129 9.931 -12.195 -4.848 No H/Q in entry = 960 Start of MODEL 30 1 H1 LYS 1 H1 LYS 1 -7.101 -8.327 0.899 2 H2 LYS 1 H2 LYS 1 -7.932 -9.517 0.031 3 H3 LYS 1 H3 LYS 1 -7.680 -9.703 1.695 4 HA LYS 1 HA LYS 1 -5.851 -10.831 1.271 5 1HB LYS 1 1HB LYS 1 -6.435 -9.937 -1.549 6 2HB LYS 1 2HB LYS 1 -5.053 -10.954 -1.165 7 1HG LYS 1 1HG LYS 1 -7.536 -11.957 -0.032 8 2HG LYS 1 2HG LYS 1 -7.582 -11.821 -1.791 9 1HD LYS 1 1HD LYS 1 -5.069 -12.931 -0.933 10 2HD LYS 1 2HD LYS 1 -6.413 -13.861 -0.268 11 1HE LYS 1 1HE LYS 1 -7.261 -13.521 -2.808 12 2HE LYS 1 2HE LYS 1 -5.516 -13.548 -3.057 13 1HZ LYS 1 1HZ LYS 1 -5.522 -15.650 -1.705 14 2HZ LYS 1 2HZ LYS 1 -7.209 -15.651 -1.840 15 3HZ LYS 1 3HZ LYS 1 -6.249 -15.762 -3.228 16 H VAL 2 H VAL 2 -3.937 -10.228 2.022 17 HA VAL 2 HA VAL 2 -2.810 -7.662 1.116 18 HB VAL 2 HB VAL 2 -2.411 -9.117 3.733 19 1HG1 VAL 2 1HG1 VAL 2 -0.468 -7.686 2.536 20 2HG1 VAL 2 2HG1 VAL 2 -1.332 -6.394 3.368 21 3HG1 VAL 2 3HG1 VAL 2 -0.687 -7.755 4.285 22 1HG2 VAL 2 1HG2 VAL 2 -4.363 -7.288 2.904 23 2HG2 VAL 2 2HG2 VAL 2 -4.030 -7.834 4.548 24 3HG2 VAL 2 3HG2 VAL 2 -3.249 -6.379 3.927 25 H PHE 3 H PHE 3 -0.922 -7.679 0.030 26 HA PHE 3 HA PHE 3 0.400 -10.184 -0.500 27 1HB PHE 3 1HB PHE 3 1.197 -7.359 -1.248 28 2HB PHE 3 2HB PHE 3 1.940 -8.824 -1.867 29 HD1 PHE 3 HD1 PHE 3 -1.267 -9.850 -1.765 30 HD2 PHE 3 HD2 PHE 3 1.119 -6.956 -3.773 31 HE1 PHE 3 HE1 PHE 3 -2.851 -9.849 -3.645 32 HE2 PHE 3 HE2 PHE 3 -0.458 -6.948 -5.652 33 HZ PHE 3 HZ PHE 3 -2.447 -8.396 -5.595 34 H GLY 4 H GLY 4 2.982 -9.891 -0.504 35 1HA GLY 4 1HA GLY 4 4.527 -10.415 1.263 36 2HA GLY 4 2HA GLY 4 3.676 -9.263 2.286 37 H ARG 5 H ARG 5 6.546 -9.429 1.541 38 HA ARG 5 HA ARG 5 6.823 -6.642 0.735 39 1HB ARG 5 1HB ARG 5 8.050 -7.908 2.710 40 2HB ARG 5 2HB ARG 5 9.171 -8.350 1.430 41 1HG ARG 5 1HG ARG 5 9.952 -6.231 1.187 42 2HG ARG 5 2HG ARG 5 8.422 -5.493 1.664 43 1HD ARG 5 1HD ARG 5 10.362 -6.871 3.517 44 2HD ARG 5 2HD ARG 5 10.185 -5.127 3.333 45 HE ARG 5 HE ARG 5 7.824 -5.510 4.126 46 1HH1 ARG 5 1HH1 ARG 5 10.444 -7.628 5.012 47 2HH1 ARG 5 2HH1 ARG 5 9.705 -8.132 6.495 48 1HH2 ARG 5 1HH2 ARG 5 6.843 -6.168 6.077 49 2HH2 ARG 5 2HH2 ARG 5 7.658 -7.303 7.100 50 H CYS 6 H CYS 6 8.406 -9.724 -0.150 51 HA CYS 6 HA CYS 6 9.358 -8.530 -2.592 52 1HB CYS 6 1HB CYS 6 9.480 -11.468 -2.059 53 2HB CYS 6 2HB CYS 6 10.608 -10.430 -2.924 54 H GLU 7 H GLU 7 6.841 -10.832 -1.660 55 HA GLU 7 HA GLU 7 6.088 -11.866 -4.080 56 1HB GLU 7 1HB GLU 7 4.990 -12.078 -1.707 57 2HB GLU 7 2HB GLU 7 3.962 -10.768 -2.269 58 1HG GLU 7 1HG GLU 7 3.436 -12.216 -4.271 59 2HG GLU 7 2HG GLU 7 4.229 -13.532 -3.406 60 H LEU 8 H LEU 8 5.019 -8.779 -2.706 61 HA LEU 8 HA LEU 8 3.680 -7.927 -5.055 62 1HB LEU 8 1HB LEU 8 3.002 -6.849 -3.076 63 2HB LEU 8 2HB LEU 8 4.652 -6.484 -2.605 64 HG LEU 8 HG LEU 8 4.747 -4.942 -4.630 65 1HD1 LEU 8 1HD1 LEU 8 1.802 -5.531 -4.565 66 2HD1 LEU 8 2HD1 LEU 8 2.471 -4.072 -5.297 67 3HD1 LEU 8 3HD1 LEU 8 2.917 -5.659 -5.927 68 1HD2 LEU 8 1HD2 LEU 8 4.360 -4.318 -2.169 69 2HD2 LEU 8 2HD2 LEU 8 3.968 -3.126 -3.407 70 3HD2 LEU 8 3HD2 LEU 8 2.682 -4.063 -2.647 71 H ALA 9 H ALA 9 7.007 -7.540 -3.834 72 HA ALA 9 HA ALA 9 7.830 -5.571 -5.659 73 1HB ALA 9 1HB ALA 9 9.059 -7.238 -3.709 74 2HB ALA 9 2HB ALA 9 10.020 -7.275 -5.186 75 3HB ALA 9 3HB ALA 9 9.646 -5.733 -4.417 76 H ALA 10 H ALA 10 8.186 -9.125 -5.886 77 HA ALA 10 HA ALA 10 9.365 -9.273 -8.369 78 1HB ALA 10 1HB ALA 10 9.061 -11.478 -8.120 79 2HB ALA 10 2HB ALA 10 7.308 -11.304 -8.024 80 3HB ALA 10 3HB ALA 10 8.296 -11.090 -6.578 81 H ALA 11 H ALA 11 5.977 -8.851 -7.481 82 HA ALA 11 HA ALA 11 4.936 -9.002 -10.089 83 1HB ALA 11 1HB ALA 11 3.918 -7.854 -7.534 84 2HB ALA 11 2HB ALA 11 3.324 -9.246 -8.438 85 3HB ALA 11 3HB ALA 11 3.029 -7.614 -9.040 86 H MET 12 H MET 12 6.221 -6.447 -8.205 87 HA MET 12 HA MET 12 5.534 -4.249 -9.818 88 1HB MET 12 1HB MET 12 8.123 -4.443 -8.299 89 2HB MET 12 2HB MET 12 7.198 -3.004 -8.661 90 1HG MET 12 1HG MET 12 6.415 -5.182 -6.756 91 2HG MET 12 2HG MET 12 6.997 -3.576 -6.333 92 1HE MET 12 1HE MET 12 5.827 -1.453 -6.658 93 2HE MET 12 2HE MET 12 5.406 -1.620 -8.361 94 3HE MET 12 3HE MET 12 4.159 -1.221 -7.180 95 H LYS 13 H LYS 13 8.495 -6.209 -9.742 96 HA LYS 13 HA LYS 13 9.932 -4.977 -11.745 97 1HB LYS 13 1HB LYS 13 10.016 -7.484 -10.357 98 2HB LYS 13 2HB LYS 13 10.317 -7.769 -12.066 99 1HG LYS 13 1HG LYS 13 11.821 -5.495 -11.213 100 2HG LYS 13 2HG LYS 13 12.117 -6.843 -10.114 101 1HD LYS 13 1HD LYS 13 13.025 -8.165 -11.767 102 2HD LYS 13 2HD LYS 13 12.153 -7.334 -13.057 103 1HE LYS 13 1HE LYS 13 14.283 -6.546 -13.395 104 2HE LYS 13 2HE LYS 13 13.631 -5.300 -12.332 105 1HZ LYS 13 1HZ LYS 13 14.610 -6.877 -10.503 106 2HZ LYS 13 2HZ LYS 13 15.620 -7.372 -11.766 107 3HZ LYS 13 3HZ LYS 13 15.592 -5.747 -11.295 108 H ARG 14 H ARG 14 7.540 -7.576 -12.039 109 HA ARG 14 HA ARG 14 7.676 -7.800 -14.845 110 1HB ARG 14 1HB ARG 14 6.604 -9.402 -13.127 111 2HB ARG 14 2HB ARG 14 5.195 -8.357 -13.235 112 1HG ARG 14 1HG ARG 14 6.214 -9.164 -15.839 113 2HG ARG 14 2HG ARG 14 5.719 -10.524 -14.827 114 1HD ARG 14 1HD ARG 14 3.530 -9.604 -14.547 115 2HD ARG 14 2HD ARG 14 4.005 -8.098 -15.329 116 HE ARG 14 HE ARG 14 4.204 -9.373 -17.409 117 1HH1 ARG 14 1HH1 ARG 14 2.403 -10.796 -14.787 118 2HH1 ARG 14 2HH1 ARG 14 1.470 -11.828 -15.818 119 1HH2 ARG 14 1HH2 ARG 14 2.980 -10.729 -18.774 120 2HH2 ARG 14 2HH2 ARG 14 1.798 -11.791 -18.084 121 H HIS 15 H HIS 15 5.691 -5.818 -12.675 122 HA HIS 15 HA HIS 15 4.092 -4.749 -14.772 123 1HB HIS 15 1HB HIS 15 4.409 -4.287 -11.847 124 2HB HIS 15 2HB HIS 15 3.627 -3.030 -12.800 125 HD1 HIS 15 HD1 HIS 15 2.357 -5.086 -10.610 126 HD2 HIS 15 HD2 HIS 15 1.881 -5.123 -14.738 127 HE1 HIS 15 HE1 HIS 15 0.203 -6.313 -11.027 128 HE2 HIS 15 HE2 HIS 15 -0.019 -6.402 -13.535 129 H GLY 16 H GLY 16 7.318 -4.143 -13.996 130 1HA GLY 16 1HA GLY 16 7.332 -1.882 -15.706 131 2HA GLY 16 2HA GLY 16 8.711 -2.611 -14.913 132 H LEU 17 H LEU 17 7.298 -2.124 -12.168 133 HA LEU 17 HA LEU 17 7.392 0.772 -12.153 134 1HB LEU 17 1HB LEU 17 7.084 -0.875 -9.682 135 2HB LEU 17 2HB LEU 17 6.484 0.735 -10.006 136 HG LEU 17 HG LEU 17 5.273 -1.890 -10.568 137 1HD1 LEU 17 1HD1 LEU 17 4.650 0.266 -9.044 138 2HD1 LEU 17 2HD1 LEU 17 3.663 0.564 -10.475 139 3HD1 LEU 17 3HD1 LEU 17 3.489 -0.947 -9.582 140 1HD2 LEU 17 1HD2 LEU 17 5.218 0.355 -12.563 141 2HD2 LEU 17 2HD2 LEU 17 5.419 -1.375 -12.842 142 3HD2 LEU 17 3HD2 LEU 17 3.842 -0.733 -12.382 143 H ASP 18 H ASP 18 9.584 -1.622 -11.941 144 HA ASP 18 HA ASP 18 11.259 -0.595 -9.870 145 1HB ASP 18 1HB ASP 18 11.750 -2.804 -10.194 146 2HB ASP 18 2HB ASP 18 11.507 -2.724 -11.929 147 H ASN 19 H ASN 19 11.757 1.470 -10.137 148 HA ASN 19 HA ASN 19 12.850 3.325 -10.829 149 1HB ASN 19 1HB ASN 19 14.672 1.423 -11.160 150 2HB ASN 19 2HB ASN 19 14.430 1.802 -12.862 151 2HD2 ASN 19 2HD2 ASN 19 14.943 3.437 -9.757 152 1HD2 ASN 19 1HD2 ASN 19 16.014 4.643 -10.376 153 H TYR 20 H TYR 20 10.444 2.570 -12.052 154 HA TYR 20 HA TYR 20 10.540 3.053 -14.861 155 1HB TYR 20 1HB TYR 20 8.612 1.982 -13.611 156 2HB TYR 20 2HB TYR 20 8.206 3.585 -13.007 157 HD1 TYR 20 HD1 TYR 20 8.808 1.796 -16.232 158 HD2 TYR 20 HD2 TYR 20 6.675 4.857 -14.187 159 HE1 TYR 20 HE1 TYR 20 7.475 2.212 -18.256 160 HE2 TYR 20 HE2 TYR 20 5.336 5.281 -16.205 161 HH TYR 20 HH TYR 20 5.014 4.772 -18.344 162 H ARG 21 H ARG 21 9.403 5.107 -15.766 163 HA ARG 21 HA ARG 21 10.788 7.305 -15.646 164 1HB ARG 21 1HB ARG 21 7.894 6.887 -15.930 165 2HB ARG 21 2HB ARG 21 8.339 8.523 -15.467 166 1HG ARG 21 1HG ARG 21 9.888 8.593 -17.405 167 2HG ARG 21 2HG ARG 21 9.275 7.011 -17.895 168 1HD ARG 21 1HD ARG 21 7.762 8.159 -19.076 169 2HD ARG 21 2HD ARG 21 6.971 8.441 -17.526 170 HE ARG 21 HE ARG 21 8.773 10.333 -18.883 171 1HH1 ARG 21 1HH1 ARG 21 6.259 9.630 -16.575 172 2HH1 ARG 21 2HH1 ARG 21 5.935 11.296 -16.227 173 1HH2 ARG 21 1HH2 ARG 21 8.353 12.528 -18.431 174 2HH2 ARG 21 2HH2 ARG 21 7.124 12.943 -17.283 175 H GLY 22 H GLY 22 8.587 6.337 -13.103 176 1HA GLY 22 1HA GLY 22 8.125 7.270 -11.037 177 2HA GLY 22 2HA GLY 22 9.070 8.679 -11.492 178 H TYR 23 H TYR 23 9.058 5.664 -9.828 179 HA TYR 23 HA TYR 23 11.907 6.027 -9.205 180 1HB TYR 23 1HB TYR 23 9.628 5.652 -7.284 181 2HB TYR 23 2HB TYR 23 11.302 5.372 -6.823 182 HD1 TYR 23 HD1 TYR 23 8.967 7.953 -8.107 183 HD2 TYR 23 HD2 TYR 23 12.695 7.176 -6.211 184 HE1 TYR 23 HE1 TYR 23 9.218 10.351 -7.635 185 HE2 TYR 23 HE2 TYR 23 12.956 9.573 -5.732 186 HH TYR 23 HH TYR 23 12.108 11.747 -6.691 187 H SER 24 H SER 24 12.626 4.194 -7.631 188 HA SER 24 HA SER 24 12.419 1.771 -9.176 189 1HB SER 24 1HB SER 24 14.318 1.006 -7.925 190 2HB SER 24 2HB SER 24 14.602 2.690 -8.361 191 HG SER 24 HG SER 24 15.095 2.557 -6.233 192 H LEU 25 H LEU 25 12.388 -0.316 -8.030 193 HA LEU 25 HA LEU 25 10.014 -0.964 -6.955 194 1HB LEU 25 1HB LEU 25 12.669 -2.149 -7.042 195 2HB LEU 25 2HB LEU 25 11.722 -2.714 -5.678 196 HG LEU 25 HG LEU 25 10.433 -2.702 -8.347 197 1HD1 LEU 25 1HD1 LEU 25 12.936 -3.903 -7.987 198 2HD1 LEU 25 2HD1 LEU 25 11.755 -5.208 -7.894 199 3HD1 LEU 25 3HD1 LEU 25 11.799 -4.158 -9.311 200 1HD2 LEU 25 1HD2 LEU 25 10.377 -4.521 -5.945 201 2HD2 LEU 25 2HD2 LEU 25 9.142 -3.357 -6.424 202 3HD2 LEU 25 3HD2 LEU 25 9.447 -4.780 -7.421 203 H GLY 26 H GLY 26 12.926 -0.459 -4.933 204 1HA GLY 26 1HA GLY 26 13.118 0.440 -2.818 205 2HA GLY 26 2HA GLY 26 11.937 -0.802 -2.445 206 H ASN 27 H ASN 27 11.399 2.080 -4.417 207 HA ASN 27 HA ASN 27 10.161 3.572 -2.329 208 1HB ASN 27 1HB ASN 27 9.705 4.030 -5.269 209 2HB ASN 27 2HB ASN 27 9.678 5.210 -3.961 210 2HD2 ASN 27 2HD2 ASN 27 11.610 5.967 -3.113 211 1HD2 ASN 27 1HD2 ASN 27 13.118 5.759 -3.931 212 H TRP 28 H TRP 28 8.971 1.395 -4.814 213 HA TRP 28 HA TRP 28 6.207 1.981 -4.452 214 1HB TRP 28 1HB TRP 28 7.585 -0.424 -5.642 215 2HB TRP 28 2HB TRP 28 5.848 -0.117 -5.722 216 HD1 TRP 28 HD1 TRP 28 9.105 0.831 -7.316 217 HE1 TRP 28 HE1 TRP 28 8.690 2.506 -9.215 218 HE3 TRP 28 HE3 TRP 28 4.173 1.797 -6.451 219 HZ2 TRP 28 HZ2 TRP 28 6.531 4.022 -10.246 220 HZ3 TRP 28 HZ3 TRP 28 2.983 3.355 -7.933 221 HH2 TRP 28 HH2 TRP 28 4.143 4.450 -9.798 222 H VAL 29 H VAL 29 8.368 -0.526 -3.166 223 HA VAL 29 HA VAL 29 6.369 -1.931 -1.765 224 HB VAL 29 HB VAL 29 9.330 -1.764 -1.190 225 1HG1 VAL 29 1HG1 VAL 29 7.307 -2.935 0.329 226 2HG1 VAL 29 2HG1 VAL 29 8.072 -4.270 -0.534 227 3HG1 VAL 29 3HG1 VAL 29 9.045 -3.201 0.477 228 1HG2 VAL 29 1HG2 VAL 29 7.856 -2.981 -3.343 229 2HG2 VAL 29 2HG2 VAL 29 9.599 -2.843 -3.114 230 3HG2 VAL 29 3HG2 VAL 29 8.722 -4.201 -2.409 231 H CYS 30 H CYS 30 8.707 0.514 -0.750 232 HA CYS 30 HA CYS 30 8.033 0.642 1.941 233 1HB CYS 30 1HB CYS 30 9.916 1.792 0.512 234 2HB CYS 30 2HB CYS 30 8.764 3.118 0.431 235 H ALA 31 H ALA 31 6.785 2.596 -0.766 236 HA ALA 31 HA ALA 31 4.991 4.134 0.754 237 1HB ALA 31 1HB ALA 31 5.871 4.451 -1.667 238 2HB ALA 31 2HB ALA 31 4.251 5.010 -1.248 239 3HB ALA 31 3HB ALA 31 4.463 3.489 -2.113 240 H ALA 32 H ALA 32 4.470 1.163 -1.131 241 HA ALA 32 HA ALA 32 1.687 1.019 -0.632 242 1HB ALA 32 1HB ALA 32 2.476 -0.165 -2.501 243 2HB ALA 32 2HB ALA 32 1.999 -1.401 -1.337 244 3HB ALA 32 3HB ALA 32 3.704 -1.006 -1.554 245 H LYS 33 H LYS 33 4.447 -0.667 0.860 246 HA LYS 33 HA LYS 33 3.205 -2.345 2.590 247 1HB LYS 33 1HB LYS 33 5.633 -2.221 2.325 248 2HB LYS 33 2HB LYS 33 5.654 -0.670 3.151 249 1HG LYS 33 1HG LYS 33 4.382 -2.279 4.962 250 2HG LYS 33 2HG LYS 33 5.563 -3.372 4.238 251 1HD LYS 33 1HD LYS 33 7.332 -1.710 4.696 252 2HD LYS 33 2HD LYS 33 6.134 -0.687 5.492 253 1HE LYS 33 1HE LYS 33 6.530 -3.523 6.362 254 2HE LYS 33 2HE LYS 33 7.622 -2.258 6.922 255 1HZ LYS 33 1HZ LYS 33 4.673 -2.124 7.216 256 2HZ LYS 33 2HZ LYS 33 5.705 -2.717 8.417 257 3HZ LYS 33 3HZ LYS 33 5.822 -1.103 7.923 258 H PHE 34 H PHE 34 4.189 0.982 3.411 259 HA PHE 34 HA PHE 34 2.734 0.877 5.853 260 1HB PHE 34 1HB PHE 34 4.431 2.816 4.516 261 2HB PHE 34 2HB PHE 34 3.274 3.482 5.651 262 HD1 PHE 34 HD1 PHE 34 3.210 2.175 7.966 263 HD2 PHE 34 HD2 PHE 34 6.512 2.245 5.282 264 HE1 PHE 34 HE1 PHE 34 4.723 1.596 9.818 265 HE2 PHE 34 HE2 PHE 34 8.031 1.665 7.129 266 HZ PHE 34 HZ PHE 34 7.137 1.341 9.401 267 H GLU 35 H GLU 35 1.868 1.711 2.651 268 HA GLU 35 HA GLU 35 -0.122 3.609 3.161 269 1HB GLU 35 1HB GLU 35 0.957 2.225 0.956 270 2HB GLU 35 2HB GLU 35 -0.772 1.909 0.935 271 1HG GLU 35 1HG GLU 35 -1.311 4.132 0.627 272 2HG GLU 35 2HG GLU 35 0.221 4.700 1.289 273 H SER 36 H SER 36 -0.449 0.135 2.499 274 HA SER 36 HA SER 36 -2.974 0.146 4.030 275 1HB SER 36 1HB SER 36 -3.717 -1.605 2.275 276 2HB SER 36 2HB SER 36 -3.689 0.086 1.777 277 HG SER 36 HG SER 36 -1.901 -0.271 0.606 278 H ASN 37 H ASN 37 -0.046 -0.862 4.398 279 HA ASN 37 HA ASN 37 0.988 -2.644 5.398 280 1HB ASN 37 1HB ASN 37 -1.691 -2.580 6.478 281 2HB ASN 37 2HB ASN 37 -1.141 -4.247 6.337 282 2HD2 ASN 37 2HD2 ASN 37 -1.479 -2.051 8.532 283 1HD2 ASN 37 1HD2 ASN 37 -0.057 -2.266 9.489 284 H PHE 38 H PHE 38 0.114 -2.683 2.669 285 HA PHE 38 HA PHE 38 0.310 -3.957 0.871 286 1HB PHE 38 1HB PHE 38 0.961 -6.042 2.930 287 2HB PHE 38 2HB PHE 38 0.825 -6.450 1.221 288 HD1 PHE 38 HD1 PHE 38 1.991 -4.187 -0.125 289 HD2 PHE 38 HD2 PHE 38 3.210 -6.096 3.475 290 HE1 PHE 38 HE1 PHE 38 4.286 -3.404 -0.501 291 HE2 PHE 38 HE2 PHE 38 5.511 -5.311 3.109 292 HZ PHE 38 HZ PHE 38 6.057 -3.973 1.115 293 H ASN 39 H ASN 39 -2.235 -3.512 2.363 294 HA ASN 39 HA ASN 39 -3.817 -5.841 1.621 295 1HB ASN 39 1HB ASN 39 -4.141 -4.198 3.680 296 2HB ASN 39 2HB ASN 39 -5.079 -3.282 2.504 297 2HD2 ASN 39 2HD2 ASN 39 -6.089 -5.460 1.035 298 1HD2 ASN 39 1HD2 ASN 39 -7.225 -6.298 2.031 299 H THR 40 H THR 40 -4.185 -6.056 -0.472 300 HA THR 40 HA THR 40 -4.447 -3.719 -2.181 301 HB THR 40 HB THR 40 -3.912 -5.076 -3.947 302 HG1 THR 40 HG1 THR 40 -5.447 -6.585 -4.104 303 1HG2 THR 40 1HG2 THR 40 -2.449 -5.524 -1.663 304 2HG2 THR 40 2HG2 THR 40 -2.804 -7.155 -2.235 305 3HG2 THR 40 3HG2 THR 40 -1.985 -6.007 -3.296 306 H GLN 41 H GLN 41 -6.418 -6.159 -0.738 307 HA GLN 41 HA GLN 41 -8.662 -5.612 -2.508 308 1HB GLN 41 1HB GLN 41 -7.959 -7.689 -0.513 309 2HB GLN 41 2HB GLN 41 -9.663 -7.336 -0.720 310 1HG GLN 41 1HG GLN 41 -8.981 -7.579 -3.285 311 2HG GLN 41 2HG GLN 41 -7.751 -8.617 -2.566 312 2HE2 GLN 41 2HE2 GLN 41 -11.189 -7.991 -1.932 313 1HE2 GLN 41 1HE2 GLN 41 -11.672 -9.649 -1.962 314 H ALA 42 H ALA 42 -7.404 -4.120 0.118 315 HA ALA 42 HA ALA 42 -9.922 -3.635 1.490 316 1HB ALA 42 1HB ALA 42 -8.189 -2.040 2.782 317 2HB ALA 42 2HB ALA 42 -7.075 -3.234 2.114 318 3HB ALA 42 3HB ALA 42 -8.407 -3.752 3.147 319 H THR 43 H THR 43 -10.346 -1.383 2.199 320 HA THR 43 HA THR 43 -9.807 0.623 0.108 321 HB THR 43 HB THR 43 -12.025 1.222 -0.164 322 HG1 THR 43 HG1 THR 43 -12.391 0.110 2.410 323 1HG2 THR 43 1HG2 THR 43 -11.489 -1.297 -0.725 324 2HG2 THR 43 2HG2 THR 43 -12.680 -1.601 0.540 325 3HG2 THR 43 3HG2 THR 43 -13.127 -0.663 -0.884 326 H ASN 44 H ASN 44 -9.851 2.821 0.901 327 HA ASN 44 HA ASN 44 -9.983 3.066 3.832 328 1HB ASN 44 1HB ASN 44 -7.642 3.245 2.284 329 2HB ASN 44 2HB ASN 44 -8.051 4.900 2.729 330 2HD2 ASN 44 2HD2 ASN 44 -6.005 2.765 3.589 331 1HD2 ASN 44 1HD2 ASN 44 -6.045 2.857 5.313 332 H ARG 45 H ARG 45 -11.986 4.058 3.791 333 HA ARG 45 HA ARG 45 -12.661 6.203 2.071 334 1HB ARG 45 1HB ARG 45 -13.981 4.625 3.974 335 2HB ARG 45 2HB ARG 45 -14.111 6.274 4.571 336 1HG ARG 45 1HG ARG 45 -14.988 6.936 2.332 337 2HG ARG 45 2HG ARG 45 -15.016 5.225 1.901 338 1HD ARG 45 1HD ARG 45 -16.926 4.903 2.999 339 2HD ARG 45 2HD ARG 45 -16.291 5.678 4.450 340 HE ARG 45 HE ARG 45 -16.874 7.757 2.797 341 1HH1 ARG 45 1HH1 ARG 45 -18.679 5.038 4.015 342 2HH1 ARG 45 2HH1 ARG 45 -20.198 5.871 3.990 343 1HH2 ARG 45 1HH2 ARG 45 -18.867 8.862 2.761 344 2HH2 ARG 45 2HH2 ARG 45 -20.305 8.044 3.277 345 H ASN 46 H ASN 46 -12.318 8.326 2.214 346 HA ASN 46 HA ASN 46 -10.883 9.328 4.577 347 1HB ASN 46 1HB ASN 46 -11.054 10.762 1.940 348 2HB ASN 46 2HB ASN 46 -9.845 10.932 3.209 349 2HD2 ASN 46 2HD2 ASN 46 -8.737 8.725 3.697 350 1HD2 ASN 46 1HD2 ASN 46 -8.160 7.885 2.301 351 H THR 47 H THR 47 -11.226 11.844 4.748 352 HA THR 47 HA THR 47 -14.053 12.186 5.304 353 HB THR 47 HB THR 47 -13.334 14.329 6.370 354 HG1 THR 47 HG1 THR 47 -10.772 14.004 6.626 355 1HG2 THR 47 1HG2 THR 47 -12.729 11.643 7.189 356 2HG2 THR 47 2HG2 THR 47 -11.526 12.754 7.841 357 3HG2 THR 47 3HG2 THR 47 -13.239 13.017 8.169 358 H ASP 48 H ASP 48 -11.688 13.302 3.013 359 HA ASP 48 HA ASP 48 -13.096 15.603 2.117 360 1HB ASP 48 1HB ASP 48 -11.597 15.396 0.102 361 2HB ASP 48 2HB ASP 48 -10.759 15.478 1.649 362 H GLY 49 H GLY 49 -13.775 12.347 1.824 363 1HA GLY 49 1HA GLY 49 -15.557 12.893 -0.465 364 2HA GLY 49 2HA GLY 49 -15.927 11.774 0.836 365 H SER 50 H SER 50 -12.755 11.900 -0.628 366 HA SER 50 HA SER 50 -13.265 9.802 -2.510 367 1HB SER 50 1HB SER 50 -10.595 9.785 -2.401 368 2HB SER 50 2HB SER 50 -11.489 11.032 -3.271 369 HG SER 50 HG SER 50 -10.554 12.389 -1.985 370 H THR 51 H THR 51 -11.270 8.021 -2.329 371 HA THR 51 HA THR 51 -11.014 6.904 0.305 372 HB THR 51 HB THR 51 -12.753 5.487 -1.723 373 HG1 THR 51 HG1 THR 51 -14.121 6.760 -0.646 374 1HG2 THR 51 1HG2 THR 51 -11.123 4.444 0.407 375 2HG2 THR 51 2HG2 THR 51 -12.829 4.147 0.738 376 3HG2 THR 51 3HG2 THR 51 -12.112 3.578 -0.769 377 H ASP 52 H ASP 52 -9.588 5.027 0.318 378 HA ASP 52 HA ASP 52 -7.905 4.905 -2.086 379 1HB ASP 52 1HB ASP 52 -7.262 4.018 0.733 380 2HB ASP 52 2HB ASP 52 -6.143 4.075 -0.624 381 H TYR 53 H TYR 53 -8.908 3.441 -3.334 382 HA TYR 53 HA TYR 53 -9.656 0.899 -2.164 383 1HB TYR 53 1HB TYR 53 -10.032 2.019 -4.937 384 2HB TYR 53 2HB TYR 53 -10.495 0.388 -4.463 385 HD1 TYR 53 HD1 TYR 53 -12.372 0.001 -2.969 386 HD2 TYR 53 HD2 TYR 53 -11.299 3.940 -4.165 387 HE1 TYR 53 HE1 TYR 53 -14.548 0.826 -2.179 388 HE2 TYR 53 HE2 TYR 53 -13.473 4.776 -3.378 389 HH TYR 53 HH TYR 53 -15.374 3.317 -1.329 390 H GLY 54 H GLY 54 -7.639 0.151 -1.656 391 1HA GLY 54 1HA GLY 54 -5.922 -0.588 -3.949 392 2HA GLY 54 2HA GLY 54 -6.545 -1.867 -2.933 393 H ILE 55 H ILE 55 -4.053 -1.966 -3.296 394 HA ILE 55 HA ILE 55 -2.878 -1.536 -0.700 395 HB ILE 55 HB ILE 55 -2.509 -3.601 -2.116 396 1HG1 ILE 55 1HG1 ILE 55 -0.038 -2.049 -1.303 397 2HG1 ILE 55 2HG1 ILE 55 -1.018 -3.055 -0.242 398 1HG2 ILE 55 1HG2 ILE 55 -2.270 -2.469 -4.267 399 2HG2 ILE 55 2HG2 ILE 55 -0.764 -1.734 -3.719 400 3HG2 ILE 55 3HG2 ILE 55 -0.871 -3.484 -3.919 401 1HD1 ILE 55 1HD1 ILE 55 -0.424 -4.850 -2.140 402 2HD1 ILE 55 2HD1 ILE 55 1.001 -3.815 -2.243 403 3HD1 ILE 55 3HD1 ILE 55 0.571 -4.574 -0.711 404 H LEU 56 H LEU 56 -2.978 0.087 -3.716 405 HA LEU 56 HA LEU 56 -0.720 1.802 -2.930 406 1HB LEU 56 1HB LEU 56 -1.222 0.522 -5.390 407 2HB LEU 56 2HB LEU 56 -1.579 2.216 -5.656 408 HG LEU 56 HG LEU 56 0.672 2.058 -6.259 409 1HD1 LEU 56 1HD1 LEU 56 0.069 3.679 -4.254 410 2HD1 LEU 56 2HD1 LEU 56 1.233 2.658 -3.407 411 3HD1 LEU 56 3HD1 LEU 56 1.715 3.521 -4.868 412 1HD2 LEU 56 1HD2 LEU 56 0.690 -0.301 -4.982 413 2HD2 LEU 56 2HD2 LEU 56 2.154 0.523 -5.518 414 3HD2 LEU 56 3HD2 LEU 56 1.630 0.658 -3.840 415 H GLN 57 H GLN 57 -3.856 1.639 -2.560 416 HA GLN 57 HA GLN 57 -5.509 3.109 -2.125 417 1HB GLN 57 1HB GLN 57 -3.371 5.219 -2.445 418 2HB GLN 57 2HB GLN 57 -4.932 5.430 -1.664 419 1HG GLN 57 1HG GLN 57 -4.174 3.562 -0.084 420 2HG GLN 57 2HG GLN 57 -2.560 3.866 -0.725 421 2HE2 GLN 57 2HE2 GLN 57 -2.219 6.419 -0.882 422 1HE2 GLN 57 1HE2 GLN 57 -2.496 7.235 0.615 423 H ILE 58 H ILE 58 -6.245 2.353 -4.368 424 HA ILE 58 HA ILE 58 -5.936 4.359 -6.439 425 HB ILE 58 HB ILE 58 -7.776 1.993 -6.612 426 1HG1 ILE 58 1HG1 ILE 58 -5.728 1.015 -5.833 427 2HG1 ILE 58 2HG1 ILE 58 -5.825 0.724 -7.566 428 1HG2 ILE 58 1HG2 ILE 58 -6.831 4.025 -8.390 429 2HG2 ILE 58 2HG2 ILE 58 -6.331 2.440 -8.982 430 3HG2 ILE 58 3HG2 ILE 58 -8.036 2.769 -8.673 431 1HD1 ILE 58 1HD1 ILE 58 -4.350 2.766 -7.842 432 2HD1 ILE 58 2HD1 ILE 58 -4.080 2.673 -6.101 433 3HD1 ILE 58 3HD1 ILE 58 -3.603 1.331 -7.141 434 H ASN 59 H ASN 59 -7.005 6.161 -5.677 435 HA ASN 59 HA ASN 59 -9.494 6.158 -4.421 436 1HB ASN 59 1HB ASN 59 -7.959 8.083 -4.405 437 2HB ASN 59 2HB ASN 59 -8.239 8.321 -6.128 438 2HD2 ASN 59 2HD2 ASN 59 -8.885 10.469 -5.483 439 1HD2 ASN 59 1HD2 ASN 59 -10.497 10.740 -4.925 440 H SER 60 H SER 60 -11.139 5.045 -5.374 441 HA SER 60 HA SER 60 -11.602 4.956 -8.158 442 1HB SER 60 1HB SER 60 -13.408 3.611 -7.668 443 2HB SER 60 2HB SER 60 -12.485 3.442 -6.174 444 HG SER 60 HG SER 60 -13.835 5.364 -5.504 445 H ARG 61 H ARG 61 -12.028 7.492 -6.018 446 HA ARG 61 HA ARG 61 -14.404 8.601 -7.256 447 1HB ARG 61 1HB ARG 61 -13.814 8.924 -4.825 448 2HB ARG 61 2HB ARG 61 -12.493 9.960 -5.350 449 1HG ARG 61 1HG ARG 61 -13.929 11.614 -6.119 450 2HG ARG 61 2HG ARG 61 -15.305 10.513 -6.211 451 1HD ARG 61 1HD ARG 61 -14.981 10.319 -3.639 452 2HD ARG 61 2HD ARG 61 -14.081 11.826 -3.816 453 HE ARG 61 HE ARG 61 -16.903 11.499 -4.610 454 1HH1 ARG 61 1HH1 ARG 61 -14.283 13.387 -3.303 455 2HH1 ARG 61 2HH1 ARG 61 -15.264 14.784 -3.012 456 1HH2 ARG 61 1HH2 ARG 61 -18.203 13.333 -4.230 457 2HH2 ARG 61 2HH2 ARG 61 -17.492 14.754 -3.538 458 H TRP 62 H TRP 62 -10.990 9.547 -6.984 459 HA TRP 62 HA TRP 62 -11.249 11.523 -9.071 460 1HB TRP 62 1HB TRP 62 -9.575 11.366 -6.984 461 2HB TRP 62 2HB TRP 62 -8.563 10.584 -8.193 462 HD1 TRP 62 HD1 TRP 62 -7.137 12.163 -9.619 463 HE1 TRP 62 HE1 TRP 62 -7.134 14.687 -10.127 464 HE3 TRP 62 HE3 TRP 62 -11.446 13.483 -7.204 465 HZ2 TRP 62 HZ2 TRP 62 -8.745 16.939 -9.577 466 HZ3 TRP 62 HZ3 TRP 62 -12.145 15.842 -7.242 467 HH2 TRP 62 HH2 TRP 62 -10.820 17.533 -8.404 468 H TRP 63 H TRP 63 -9.761 8.349 -8.682 469 HA TRP 63 HA TRP 63 -9.272 8.224 -11.577 470 1HB TRP 63 1HB TRP 63 -8.253 6.304 -9.473 471 2HB TRP 63 2HB TRP 63 -7.705 6.461 -11.138 472 HD1 TRP 63 HD1 TRP 63 -6.607 7.337 -7.798 473 HE1 TRP 63 HE1 TRP 63 -4.883 9.254 -7.855 474 HE3 TRP 63 HE3 TRP 63 -7.395 8.966 -12.553 475 HZ2 TRP 63 HZ2 TRP 63 -3.983 11.211 -9.701 476 HZ3 TRP 63 HZ3 TRP 63 -6.104 10.858 -13.398 477 HH2 TRP 63 HH2 TRP 63 -4.416 11.964 -12.004 478 H CYS 64 H CYS 64 -9.741 6.236 -12.672 479 HA CYS 64 HA CYS 64 -11.254 4.752 -13.453 480 1HB CYS 64 1HB CYS 64 -11.271 2.764 -12.266 481 2HB CYS 64 2HB CYS 64 -9.873 3.579 -11.579 482 H ASN 65 H ASN 65 -13.369 3.956 -13.552 483 HA ASN 65 HA ASN 65 -15.289 5.699 -12.187 484 1HB ASN 65 1HB ASN 65 -15.176 5.273 -14.770 485 2HB ASN 65 2HB ASN 65 -16.025 3.781 -14.375 486 2HD2 ASN 65 2HD2 ASN 65 -17.985 4.080 -12.979 487 1HD2 ASN 65 1HD2 ASN 65 -19.003 5.427 -13.337 488 H ASP 66 H ASP 66 -15.938 4.885 -10.295 489 HA ASP 66 HA ASP 66 -16.271 2.003 -9.987 490 1HB ASP 66 1HB ASP 66 -16.397 2.407 -7.626 491 2HB ASP 66 2HB ASP 66 -15.061 3.362 -8.263 492 H GLY 67 H GLY 67 -18.170 4.883 -10.349 493 1HA GLY 67 1HA GLY 67 -20.554 3.366 -10.726 494 2HA GLY 67 2HA GLY 67 -20.426 5.117 -10.729 495 H ARG 68 H ARG 68 -19.192 3.569 -7.931 496 HA ARG 68 HA ARG 68 -21.706 3.674 -6.489 497 1HB ARG 68 1HB ARG 68 -19.135 2.391 -6.138 498 2HB ARG 68 2HB ARG 68 -19.636 3.208 -4.664 499 1HG ARG 68 1HG ARG 68 -20.634 1.212 -4.302 500 2HG ARG 68 2HG ARG 68 -21.925 1.982 -5.226 501 1HD ARG 68 1HD ARG 68 -21.436 0.784 -7.150 502 2HD ARG 68 2HD ARG 68 -19.788 0.434 -6.631 503 HE ARG 68 HE ARG 68 -20.566 -1.393 -5.469 504 1HH1 ARG 68 1HH1 ARG 68 -23.251 0.573 -6.501 505 2HH1 ARG 68 2HH1 ARG 68 -24.445 -0.607 -6.079 506 1HH2 ARG 68 1HH2 ARG 68 -22.131 -2.954 -4.910 507 2HH2 ARG 68 2HH2 ARG 68 -23.809 -2.613 -5.174 508 H THR 69 H THR 69 -19.335 5.860 -7.300 509 HA THR 69 HA THR 69 -20.037 7.573 -5.009 510 HB THR 69 HB THR 69 -17.377 7.726 -6.419 511 HG1 THR 69 HG1 THR 69 -17.887 6.424 -3.937 512 1HG2 THR 69 1HG2 THR 69 -18.610 9.492 -4.743 513 2HG2 THR 69 2HG2 THR 69 -17.653 8.536 -3.612 514 3HG2 THR 69 3HG2 THR 69 -16.865 9.360 -4.958 515 HA PRO 70 HA PRO 70 -21.550 10.057 -8.442 516 1HB PRO 70 1HB PRO 70 -22.517 12.085 -6.894 517 2HB PRO 70 2HB PRO 70 -23.383 10.568 -7.164 518 1HG PRO 70 1HG PRO 70 -21.700 11.400 -4.833 519 2HG PRO 70 2HG PRO 70 -23.260 10.555 -4.842 520 1HD PRO 70 1HD PRO 70 -20.926 9.254 -4.473 521 2HD PRO 70 2HD PRO 70 -22.293 8.514 -5.331 522 H GLY 71 H GLY 71 -19.764 10.825 -9.482 523 1HA GLY 71 1HA GLY 71 -18.263 13.001 -8.173 524 2HA GLY 71 2HA GLY 71 -18.885 13.197 -9.804 525 H SER 72 H SER 72 -18.176 10.098 -9.877 526 HA SER 72 HA SER 72 -15.394 9.868 -9.803 527 1HB SER 72 1HB SER 72 -16.911 7.930 -9.934 528 2HB SER 72 2HB SER 72 -17.340 8.380 -11.585 529 HG SER 72 HG SER 72 -14.666 7.896 -10.811 530 H ARG 73 H ARG 73 -13.933 10.951 -10.934 531 HA ARG 73 HA ARG 73 -14.560 12.439 -13.269 532 1HB ARG 73 1HB ARG 73 -12.307 12.122 -11.486 533 2HB ARG 73 2HB ARG 73 -11.773 12.147 -13.161 534 1HG ARG 73 1HG ARG 73 -13.616 14.219 -12.985 535 2HG ARG 73 2HG ARG 73 -12.690 14.308 -11.486 536 1HD ARG 73 1HD ARG 73 -11.646 15.662 -13.211 537 2HD ARG 73 2HD ARG 73 -10.609 14.303 -12.781 538 HE ARG 73 HE ARG 73 -11.091 13.308 -14.863 539 1HH1 ARG 73 1HH1 ARG 73 -12.596 16.426 -14.470 540 2HH1 ARG 73 2HH1 ARG 73 -12.902 16.635 -16.162 541 1HH2 ARG 73 1HH2 ARG 73 -11.490 13.575 -17.092 542 2HH2 ARG 73 2HH2 ARG 73 -12.273 15.014 -17.652 543 H ASN 74 H ASN 74 -12.875 9.385 -12.708 544 HA ASN 74 HA ASN 74 -12.423 7.613 -14.081 545 1HB ASN 74 1HB ASN 74 -14.788 8.395 -15.023 546 2HB ASN 74 2HB ASN 74 -13.819 8.866 -16.415 547 2HD2 ASN 74 2HD2 ASN 74 -15.093 7.261 -17.534 548 1HD2 ASN 74 1HD2 ASN 74 -14.623 5.600 -17.457 549 H LEU 75 H LEU 75 -10.705 9.808 -13.803 550 HA LEU 75 HA LEU 75 -9.570 10.824 -16.143 551 1HB LEU 75 1HB LEU 75 -8.850 10.370 -13.327 552 2HB LEU 75 2HB LEU 75 -7.501 10.570 -14.419 553 HG LEU 75 HG LEU 75 -9.804 12.523 -14.127 554 1HD1 LEU 75 1HD1 LEU 75 -8.164 12.117 -12.119 555 2HD1 LEU 75 2HD1 LEU 75 -7.074 13.109 -13.089 556 3HD1 LEU 75 3HD1 LEU 75 -8.638 13.752 -12.587 557 1HD2 LEU 75 1HD2 LEU 75 -7.140 12.731 -15.527 558 2HD2 LEU 75 2HD2 LEU 75 -8.739 12.729 -16.269 559 3HD2 LEU 75 3HD2 LEU 75 -8.236 14.086 -15.261 560 H CYS 76 H CYS 76 -8.781 8.170 -14.130 561 HA CYS 76 HA CYS 76 -6.654 7.112 -15.671 562 1HB CYS 76 1HB CYS 76 -7.649 6.874 -13.149 563 2HB CYS 76 2HB CYS 76 -8.098 5.333 -13.866 564 H ASN 77 H ASN 77 -10.095 6.599 -15.457 565 HA ASN 77 HA ASN 77 -11.585 5.346 -16.651 566 1HB ASN 77 1HB ASN 77 -10.551 6.759 -18.483 567 2HB ASN 77 2HB ASN 77 -9.497 5.394 -18.841 568 2HD2 ASN 77 2HD2 ASN 77 -12.915 5.458 -17.943 569 1HD2 ASN 77 1HD2 ASN 77 -13.488 4.697 -19.385 570 H ILE 78 H ILE 78 -10.349 3.868 -14.893 571 HA ILE 78 HA ILE 78 -9.662 1.403 -16.324 572 HB ILE 78 HB ILE 78 -7.849 0.996 -15.064 573 1HG1 ILE 78 1HG1 ILE 78 -9.588 1.941 -12.857 574 2HG1 ILE 78 2HG1 ILE 78 -8.553 0.522 -12.943 575 1HG2 ILE 78 1HG2 ILE 78 -7.504 3.236 -15.966 576 2HG2 ILE 78 2HG2 ILE 78 -8.163 3.934 -14.486 577 3HG2 ILE 78 3HG2 ILE 78 -6.655 3.021 -14.435 578 1HD1 ILE 78 1HD1 ILE 78 -6.599 2.046 -12.602 579 2HD1 ILE 78 2HD1 ILE 78 -7.754 3.344 -12.296 580 3HD1 ILE 78 3HD1 ILE 78 -7.712 1.934 -11.239 581 HA PRO 79 HA PRO 79 -12.768 -0.541 -13.819 582 1HB PRO 79 1HB PRO 79 -11.914 -3.090 -13.711 583 2HB PRO 79 2HB PRO 79 -12.474 -2.371 -15.226 584 1HG PRO 79 1HG PRO 79 -9.685 -2.855 -14.274 585 2HG PRO 79 2HG PRO 79 -10.363 -3.040 -15.900 586 1HD PRO 79 1HD PRO 79 -8.889 -0.863 -15.048 587 2HD PRO 79 2HD PRO 79 -10.024 -0.843 -16.411 588 H CYS 80 H CYS 80 -12.821 0.108 -11.723 589 HA CYS 80 HA CYS 80 -10.639 0.043 -9.970 590 1HB CYS 80 1HB CYS 80 -13.455 0.041 -8.958 591 2HB CYS 80 2HB CYS 80 -12.066 0.964 -8.392 592 H SER 81 H SER 81 -13.609 -1.954 -9.773 593 HA SER 81 HA SER 81 -12.789 -3.641 -7.755 594 1HB SER 81 1HB SER 81 -14.534 -5.114 -8.414 595 2HB SER 81 2HB SER 81 -15.079 -3.494 -8.849 596 HG SER 81 HG SER 81 -13.846 -4.276 -10.954 597 H ALA 82 H ALA 82 -11.803 -3.673 -11.097 598 HA ALA 82 HA ALA 82 -10.854 -6.340 -11.207 599 1HB ALA 82 1HB ALA 82 -10.394 -3.886 -12.839 600 2HB ALA 82 2HB ALA 82 -11.135 -5.419 -13.296 601 3HB ALA 82 3HB ALA 82 -9.386 -5.310 -13.098 602 H LEU 83 H LEU 83 -9.787 -3.838 -9.350 603 HA LEU 83 HA LEU 83 -7.005 -4.809 -9.339 604 1HB LEU 83 1HB LEU 83 -6.255 -2.727 -8.735 605 2HB LEU 83 2HB LEU 83 -7.622 -2.309 -9.748 606 HG LEU 83 HG LEU 83 -8.823 -2.385 -7.318 607 1HD1 LEU 83 1HD1 LEU 83 -6.022 -2.333 -6.778 608 2HD1 LEU 83 2HD1 LEU 83 -6.734 -0.796 -6.290 609 3HD1 LEU 83 3HD1 LEU 83 -7.372 -2.307 -5.644 610 1HD2 LEU 83 1HD2 LEU 83 -7.766 -0.339 -9.113 611 2HD2 LEU 83 2HD2 LEU 83 -9.339 -0.455 -8.323 612 3HD2 LEU 83 3HD2 LEU 83 -7.960 0.210 -7.448 613 H LEU 84 H LEU 84 -9.894 -4.864 -7.605 614 HA LEU 84 HA LEU 84 -8.539 -5.304 -5.048 615 1HB LEU 84 1HB LEU 84 -11.503 -5.283 -5.306 616 2HB LEU 84 2HB LEU 84 -10.488 -4.697 -4.000 617 HG LEU 84 HG LEU 84 -10.443 -3.296 -6.636 618 1HD1 LEU 84 1HD1 LEU 84 -12.552 -3.003 -4.510 619 2HD1 LEU 84 2HD1 LEU 84 -12.230 -1.791 -5.751 620 3HD1 LEU 84 3HD1 LEU 84 -12.782 -3.401 -6.213 621 1HD2 LEU 84 1HD2 LEU 84 -8.800 -2.728 -4.903 622 2HD2 LEU 84 2HD2 LEU 84 -9.881 -1.381 -5.261 623 3HD2 LEU 84 3HD2 LEU 84 -10.117 -2.336 -3.797 624 H SER 85 H SER 85 -8.250 -7.280 -7.006 625 HA SER 85 HA SER 85 -9.695 -9.487 -5.722 626 1HB SER 85 1HB SER 85 -9.912 -10.655 -7.855 627 2HB SER 85 2HB SER 85 -10.657 -9.061 -7.979 628 HG SER 85 HG SER 85 -9.353 -9.466 -9.782 629 H SER 86 H SER 86 -7.250 -8.494 -5.040 630 HA SER 86 HA SER 86 -5.183 -9.208 -4.376 631 1HB SER 86 1HB SER 86 -6.315 -11.442 -4.083 632 2HB SER 86 2HB SER 86 -5.855 -11.834 -5.739 633 HG SER 86 HG SER 86 -3.934 -12.295 -5.047 634 H ASP 87 H ASP 87 -6.011 -8.112 -6.969 635 HA ASP 87 HA ASP 87 -3.655 -8.790 -8.590 636 1HB ASP 87 1HB ASP 87 -5.966 -9.408 -9.430 637 2HB ASP 87 2HB ASP 87 -6.291 -7.685 -9.536 638 H ILE 88 H ILE 88 -2.186 -7.163 -8.470 639 HA ILE 88 HA ILE 88 -3.074 -4.477 -7.844 640 HB ILE 88 HB ILE 88 -0.480 -4.085 -8.178 641 1HG1 ILE 88 1HG1 ILE 88 -0.314 -6.891 -7.185 642 2HG1 ILE 88 2HG1 ILE 88 -0.449 -6.641 -8.923 643 1HG2 ILE 88 1HG2 ILE 88 -1.760 -5.447 -5.818 644 2HG2 ILE 88 2HG2 ILE 88 -0.171 -4.681 -5.784 645 3HG2 ILE 88 3HG2 ILE 88 -1.610 -3.712 -6.105 646 1HD1 ILE 88 1HD1 ILE 88 1.509 -4.851 -8.093 647 2HD1 ILE 88 2HD1 ILE 88 1.827 -6.334 -7.196 648 3HD1 ILE 88 3HD1 ILE 88 1.744 -6.371 -8.957 649 H THR 89 H THR 89 -2.699 -6.272 -10.633 650 HA THR 89 HA THR 89 -1.395 -4.727 -12.459 651 HB THR 89 HB THR 89 -4.062 -5.938 -13.146 652 HG1 THR 89 HG1 THR 89 -1.610 -7.258 -12.561 653 1HG2 THR 89 1HG2 THR 89 -2.088 -4.740 -14.665 654 2HG2 THR 89 2HG2 THR 89 -1.767 -6.463 -14.858 655 3HG2 THR 89 3HG2 THR 89 -3.353 -5.810 -15.267 656 H ALA 90 H ALA 90 -4.906 -4.445 -11.805 657 HA ALA 90 HA ALA 90 -5.268 -2.171 -13.344 658 1HB ALA 90 1HB ALA 90 -6.846 -3.656 -11.368 659 2HB ALA 90 2HB ALA 90 -7.300 -1.967 -11.594 660 3HB ALA 90 3HB ALA 90 -7.291 -3.069 -12.971 661 H SER 91 H SER 91 -4.662 -2.526 -9.870 662 HA SER 91 HA SER 91 -4.901 0.189 -9.172 663 1HB SER 91 1HB SER 91 -2.941 -1.008 -7.507 664 2HB SER 91 2HB SER 91 -4.644 -0.733 -7.146 665 HG SER 91 HG SER 91 -3.793 -2.962 -8.655 666 H VAL 92 H VAL 92 -2.262 -1.670 -10.450 667 HA VAL 92 HA VAL 92 -0.348 0.421 -10.043 668 HB VAL 92 HB VAL 92 -0.148 -2.085 -11.713 669 1HG1 VAL 92 1HG1 VAL 92 1.618 0.297 -11.526 670 2HG1 VAL 92 2HG1 VAL 92 2.399 -1.283 -11.534 671 3HG1 VAL 92 3HG1 VAL 92 1.352 -0.809 -12.872 672 1HG2 VAL 92 1HG2 VAL 92 0.505 -1.350 -8.945 673 2HG2 VAL 92 2HG2 VAL 92 0.195 -2.933 -9.656 674 3HG2 VAL 92 3HG2 VAL 92 1.790 -2.199 -9.804 675 H ASN 93 H ASN 93 -2.063 -0.851 -12.897 676 HA ASN 93 HA ASN 93 -1.011 0.677 -14.821 677 1HB ASN 93 1HB ASN 93 -2.593 -0.358 -15.960 678 2HB ASN 93 2HB ASN 93 -3.357 -0.804 -14.456 679 2HD2 ASN 93 2HD2 ASN 93 -3.318 1.465 -17.077 680 1HD2 ASN 93 1HD2 ASN 93 -4.856 2.182 -16.750 681 H CYS 94 H CYS 94 -3.410 1.604 -12.459 682 HA CYS 94 HA CYS 94 -3.874 4.199 -13.479 683 1HB CYS 94 1HB CYS 94 -5.179 2.752 -11.682 684 2HB CYS 94 2HB CYS 94 -4.167 3.660 -10.563 685 H ALA 95 H ALA 95 -1.765 2.993 -10.858 686 HA ALA 95 HA ALA 95 -0.728 5.582 -10.260 687 1HB ALA 95 1HB ALA 95 -0.476 4.126 -8.516 688 2HB ALA 95 2HB ALA 95 0.127 2.827 -9.544 689 3HB ALA 95 3HB ALA 95 1.154 4.217 -9.186 690 H LYS 96 H LYS 96 0.339 2.974 -12.382 691 HA LYS 96 HA LYS 96 2.851 3.867 -13.079 692 1HB LYS 96 1HB LYS 96 1.684 1.750 -13.878 693 2HB LYS 96 2HB LYS 96 0.843 2.756 -15.049 694 1HG LYS 96 1HG LYS 96 2.783 3.205 -16.247 695 2HG LYS 96 2HG LYS 96 3.832 2.747 -14.903 696 1HD LYS 96 1HD LYS 96 4.003 0.715 -15.791 697 2HD LYS 96 2HD LYS 96 2.278 0.482 -15.499 698 1HE LYS 96 1HE LYS 96 2.981 2.057 -17.890 699 2HE LYS 96 2HE LYS 96 3.425 0.352 -17.937 700 1HZ LYS 96 1HZ LYS 96 1.006 0.008 -17.142 701 2HZ LYS 96 2HZ LYS 96 0.752 1.565 -17.751 702 3HZ LYS 96 3HZ LYS 96 1.299 0.334 -18.775 703 H LYS 97 H LYS 97 -0.328 4.810 -13.968 704 HA LYS 97 HA LYS 97 0.447 6.844 -15.876 705 1HB LYS 97 1HB LYS 97 -1.734 5.528 -15.954 706 2HB LYS 97 2HB LYS 97 -2.266 6.508 -14.595 707 1HG LYS 97 1HG LYS 97 -1.704 8.518 -16.099 708 2HG LYS 97 2HG LYS 97 -1.716 7.342 -17.415 709 1HD LYS 97 1HD LYS 97 -4.008 6.654 -16.629 710 2HD LYS 97 2HD LYS 97 -3.973 8.048 -15.547 711 1HE LYS 97 1HE LYS 97 -4.554 9.414 -17.201 712 2HE LYS 97 2HE LYS 97 -3.219 8.841 -18.200 713 1HZ LYS 97 1HZ LYS 97 -5.063 6.825 -18.293 714 2HZ LYS 97 2HZ LYS 97 -6.002 8.230 -18.373 715 3HZ LYS 97 3HZ LYS 97 -4.771 7.969 -19.505 716 H ILE 98 H ILE 98 -0.378 6.599 -12.490 717 HA ILE 98 HA ILE 98 -0.796 9.312 -11.948 718 HB ILE 98 HB ILE 98 0.174 7.109 -10.156 719 1HG1 ILE 98 1HG1 ILE 98 -2.479 8.563 -10.279 720 2HG1 ILE 98 2HG1 ILE 98 -2.170 7.005 -11.037 721 1HG2 ILE 98 1HG2 ILE 98 -0.551 9.948 -9.444 722 2HG2 ILE 98 2HG2 ILE 98 -0.317 8.645 -8.279 723 3HG2 ILE 98 3HG2 ILE 98 1.032 9.190 -9.277 724 1HD1 ILE 98 1HD1 ILE 98 -1.591 7.247 -8.146 725 2HD1 ILE 98 2HD1 ILE 98 -3.281 7.232 -8.647 726 3HD1 ILE 98 3HD1 ILE 98 -2.224 5.885 -9.069 727 H VAL 99 H VAL 99 2.075 7.312 -11.661 728 HA VAL 99 HA VAL 99 3.814 9.468 -10.993 729 HB VAL 99 HB VAL 99 4.097 6.961 -10.462 730 1HG1 VAL 99 1HG1 VAL 99 4.175 6.655 -13.141 731 2HG1 VAL 99 2HG1 VAL 99 5.897 6.778 -12.782 732 3HG1 VAL 99 3HG1 VAL 99 4.921 5.535 -12.001 733 1HG2 VAL 99 1HG2 VAL 99 6.380 8.715 -11.336 734 2HG2 VAL 99 2HG2 VAL 99 5.665 8.614 -9.727 735 3HG2 VAL 99 3HG2 VAL 99 6.565 7.245 -10.381 736 H SER 100 H SER 100 2.645 8.148 -13.960 737 HA SER 100 HA SER 100 4.810 9.271 -15.544 738 1HB SER 100 1HB SER 100 3.712 7.137 -16.215 739 2HB SER 100 2HB SER 100 2.207 8.023 -16.466 740 HG SER 100 HG SER 100 3.879 7.624 -18.288 741 H ASP 101 H ASP 101 2.006 10.343 -14.100 742 HA ASP 101 HA ASP 101 1.488 12.434 -16.088 743 1HB ASP 101 1HB ASP 101 -0.086 11.134 -13.974 744 2HB ASP 101 2HB ASP 101 -0.308 12.879 -14.066 745 H GLY 102 H GLY 102 3.394 11.955 -13.423 746 1HA GLY 102 1HA GLY 102 3.535 14.862 -12.930 747 2HA GLY 102 2HA GLY 102 4.892 13.755 -12.784 748 H ASN 103 H ASN 103 4.033 11.770 -11.227 749 HA ASN 103 HA ASN 103 3.770 13.068 -8.659 750 1HB ASN 103 1HB ASN 103 1.487 11.861 -9.950 751 2HB ASN 103 2HB ASN 103 1.879 10.994 -8.469 752 2HD2 ASN 103 2HD2 ASN 103 -0.254 12.998 -9.393 753 1HD2 ASN 103 1HD2 ASN 103 -0.326 14.127 -8.087 754 H GLY 104 H GLY 104 5.678 12.221 -7.975 755 1HA GLY 104 1HA GLY 104 7.258 10.638 -7.400 756 2HA GLY 104 2HA GLY 104 6.414 9.488 -8.427 757 H MET 105 H MET 105 7.550 9.384 -5.622 758 HA MET 105 HA MET 105 5.413 7.832 -4.479 759 1HB MET 105 1HB MET 105 7.890 8.460 -2.943 760 2HB MET 105 2HB MET 105 7.006 6.945 -3.070 761 1HG MET 105 1HG MET 105 8.824 8.137 -5.151 762 2HG MET 105 2HG MET 105 9.170 6.751 -4.118 763 1HE MET 105 1HE MET 105 6.979 5.201 -3.814 764 2HE MET 105 2HE MET 105 5.596 5.610 -4.830 765 3HE MET 105 3HE MET 105 6.569 4.185 -5.197 766 H ASN 106 H ASN 106 6.051 11.015 -4.613 767 HA ASN 106 HA ASN 106 5.652 11.812 -1.910 768 1HB ASN 106 1HB ASN 106 5.050 13.643 -4.185 769 2HB ASN 106 2HB ASN 106 5.934 13.946 -2.696 770 2HD2 ASN 106 2HD2 ASN 106 6.181 13.327 -5.976 771 1HD2 ASN 106 1HD2 ASN 106 7.882 13.033 -6.052 772 H ALA 107 H ALA 107 3.572 11.335 -4.721 773 HA ALA 107 HA ALA 107 1.268 12.619 -3.935 774 1HB ALA 107 1HB ALA 107 1.620 11.443 -6.100 775 2HB ALA 107 2HB ALA 107 0.058 11.110 -5.355 776 3HB ALA 107 3HB ALA 107 1.351 9.915 -5.265 777 H TRP 108 H TRP 108 2.262 9.310 -3.129 778 HA TRP 108 HA TRP 108 0.041 8.939 -1.338 779 1HB TRP 108 1HB TRP 108 2.497 7.224 -1.785 780 2HB TRP 108 2HB TRP 108 1.049 6.741 -0.901 781 HD1 TRP 108 HD1 TRP 108 -1.202 6.342 -2.366 782 HE1 TRP 108 HE1 TRP 108 -1.522 5.727 -4.845 783 HE3 TRP 108 HE3 TRP 108 3.461 7.513 -4.103 784 HZ2 TRP 108 HZ2 TRP 108 0.000 5.739 -7.236 785 HZ3 TRP 108 HZ3 TRP 108 3.947 7.185 -6.490 786 HH2 TRP 108 HH2 TRP 108 2.256 6.315 -8.020 787 H VAL 109 H VAL 109 -0.038 9.386 0.745 788 HA VAL 109 HA VAL 109 2.050 10.838 2.012 789 HB VAL 109 HB VAL 109 -0.040 9.864 3.729 790 1HG1 VAL 109 1HG1 VAL 109 1.347 12.402 3.125 791 2HG1 VAL 109 2HG1 VAL 109 -0.247 12.496 3.872 792 3HG1 VAL 109 3HG1 VAL 109 1.054 11.616 4.676 793 1HG2 VAL 109 1HG2 VAL 109 -0.701 11.238 1.168 794 2HG2 VAL 109 2HG2 VAL 109 -1.540 9.910 1.970 795 3HG2 VAL 109 3HG2 VAL 109 -1.669 11.549 2.609 796 H ALA 110 H ALA 110 1.123 7.483 2.139 797 HA ALA 110 HA ALA 110 2.265 6.895 4.662 798 1HB ALA 110 1HB ALA 110 1.872 5.059 2.300 799 2HB ALA 110 2HB ALA 110 2.166 4.564 3.967 800 3HB ALA 110 3HB ALA 110 0.672 5.401 3.547 801 H TRP 111 H TRP 111 3.624 7.587 1.634 802 HA TRP 111 HA TRP 111 6.142 6.259 2.225 803 1HB TRP 111 1HB TRP 111 5.462 6.209 -0.084 804 2HB TRP 111 2HB TRP 111 5.280 7.954 -0.124 805 HD1 TRP 111 HD1 TRP 111 7.860 5.213 -0.454 806 HE1 TRP 111 HE1 TRP 111 10.114 6.241 -1.152 807 HE3 TRP 111 HE3 TRP 111 6.720 10.162 0.151 808 HZ2 TRP 111 HZ2 TRP 111 11.259 8.809 -1.409 809 HZ3 TRP 111 HZ3 TRP 111 8.451 11.839 -0.342 810 HH2 TRP 111 HH2 TRP 111 10.672 11.175 -1.105 811 H ARG 112 H ARG 112 4.777 9.532 2.171 812 HA ARG 112 HA ARG 112 7.346 10.638 2.998 813 1HB ARG 112 1HB ARG 112 5.260 12.564 3.041 814 2HB ARG 112 2HB ARG 112 6.661 12.475 1.985 815 1HG ARG 112 1HG ARG 112 5.462 11.705 0.250 816 2HG ARG 112 2HG ARG 112 4.466 10.666 1.272 817 1HD ARG 112 1HD ARG 112 4.096 13.533 0.537 818 2HD ARG 112 2HD ARG 112 2.925 12.217 0.544 819 HE ARG 112 HE ARG 112 3.348 12.432 3.128 820 1HH1 ARG 112 1HH1 ARG 112 2.998 14.970 0.767 821 2HH1 ARG 112 2HH1 ARG 112 2.328 16.102 1.893 822 1HH2 ARG 112 1HH2 ARG 112 2.466 13.916 4.618 823 2HH2 ARG 112 2HH2 ARG 112 2.025 15.503 4.082 824 H ASN 113 H ASN 113 6.374 8.938 4.853 825 HA ASN 113 HA ASN 113 5.977 10.714 7.104 826 1HB ASN 113 1HB ASN 113 3.666 10.210 6.300 827 2HB ASN 113 2HB ASN 113 3.975 8.504 6.608 828 2HD2 ASN 113 2HD2 ASN 113 4.259 11.628 8.267 829 1HD2 ASN 113 1HD2 ASN 113 3.647 11.071 9.783 830 H ARG 114 H ARG 114 5.537 7.251 6.464 831 HA ARG 114 HA ARG 114 7.299 6.653 8.717 832 1HB ARG 114 1HB ARG 114 5.136 5.225 7.276 833 2HB ARG 114 2HB ARG 114 6.422 4.246 7.955 834 1HG ARG 114 1HG ARG 114 4.993 6.291 9.609 835 2HG ARG 114 2HG ARG 114 4.335 4.670 9.376 836 1HD ARG 114 1HD ARG 114 6.823 4.006 10.065 837 2HD ARG 114 2HD ARG 114 6.723 5.561 10.893 838 HE ARG 114 HE ARG 114 4.822 3.351 11.348 839 1HH1 ARG 114 1HH1 ARG 114 6.769 6.008 12.486 840 2HH1 ARG 114 2HH1 ARG 114 6.269 5.836 14.136 841 1HH2 ARG 114 1HH2 ARG 114 4.158 3.118 13.517 842 2HH2 ARG 114 2HH2 ARG 114 4.786 4.193 14.722 843 H CYS 115 H CYS 115 7.601 7.092 5.464 844 HA CYS 115 HA CYS 115 9.734 5.076 5.248 845 1HB CYS 115 1HB CYS 115 7.881 4.861 3.612 846 2HB CYS 115 2HB CYS 115 8.280 6.461 2.994 847 H LYS 116 H LYS 116 8.929 8.446 4.416 848 HA LYS 116 HA LYS 116 11.397 9.163 3.344 849 1HB LYS 116 1HB LYS 116 9.327 10.533 3.224 850 2HB LYS 116 2HB LYS 116 9.519 10.924 4.928 851 1HG LYS 116 1HG LYS 116 10.400 12.774 3.855 852 2HG LYS 116 2HG LYS 116 11.832 11.819 4.240 853 1HD LYS 116 1HD LYS 116 11.158 10.832 1.792 854 2HD LYS 116 2HD LYS 116 10.673 12.522 1.638 855 1HE LYS 116 1HE LYS 116 12.810 13.293 1.806 856 2HE LYS 116 2HE LYS 116 13.323 11.965 2.847 857 1HZ LYS 116 1HZ LYS 116 12.775 11.697 -0.058 858 2HZ LYS 116 2HZ LYS 116 14.316 11.899 0.608 859 3HZ LYS 116 3HZ LYS 116 13.415 10.512 0.964 860 H GLY 117 H GLY 117 13.121 8.345 4.519 861 1HA GLY 117 1HA GLY 117 13.413 9.312 7.282 862 2HA GLY 117 2HA GLY 117 14.670 9.662 6.107 863 H THR 118 H THR 118 13.546 6.700 5.226 864 HA THR 118 HA THR 118 15.481 5.324 6.968 865 HB THR 118 HB THR 118 14.162 3.282 6.718 866 HG1 THR 118 HG1 THR 118 13.007 4.671 4.730 867 1HG2 THR 118 1HG2 THR 118 13.639 5.172 8.451 868 2HG2 THR 118 2HG2 THR 118 12.151 5.343 7.521 869 3HG2 THR 118 3HG2 THR 118 12.543 3.801 8.283 870 H ASP 119 H ASP 119 15.079 2.865 5.323 871 HA ASP 119 HA ASP 119 16.395 3.668 2.839 872 1HB ASP 119 1HB ASP 119 17.908 2.826 4.787 873 2HB ASP 119 2HB ASP 119 17.366 1.271 4.196 874 H VAL 120 H VAL 120 15.141 2.988 1.235 875 HA VAL 120 HA VAL 120 13.367 0.756 1.518 876 HB VAL 120 HB VAL 120 12.713 1.230 -0.799 877 1HG1 VAL 120 1HG1 VAL 120 12.355 2.874 1.417 878 2HG1 VAL 120 2HG1 VAL 120 12.714 3.976 0.088 879 3HG1 VAL 120 3HG1 VAL 120 11.373 2.838 -0.049 880 1HG2 VAL 120 1HG2 VAL 120 15.266 2.605 -0.823 881 2HG2 VAL 120 2HG2 VAL 120 14.269 2.053 -2.169 882 3HG2 VAL 120 3HG2 VAL 120 13.958 3.622 -1.427 883 H GLN 121 H GLN 121 16.504 1.367 0.128 884 HA GLN 121 HA GLN 121 16.706 -0.831 -1.598 885 1HB GLN 121 1HB GLN 121 18.396 1.213 -0.735 886 2HB GLN 121 2HB GLN 121 19.192 -0.259 -0.197 887 1HG GLN 121 1HG GLN 121 18.447 -0.859 -2.775 888 2HG GLN 121 2HG GLN 121 18.903 0.842 -2.869 889 2HE2 GLN 121 2HE2 GLN 121 20.787 0.609 -3.957 890 1HE2 GLN 121 1HE2 GLN 121 22.172 -0.212 -3.330 891 H ALA 122 H ALA 122 16.763 -0.547 1.827 892 HA ALA 122 HA ALA 122 17.821 -3.227 2.236 893 1HB ALA 122 1HB ALA 122 17.108 -0.951 4.044 894 2HB ALA 122 2HB ALA 122 18.641 -1.806 3.872 895 3HB ALA 122 3HB ALA 122 17.286 -2.581 4.693 896 H TRP 123 H TRP 123 14.814 -1.612 1.877 897 HA TRP 123 HA TRP 123 13.165 -3.337 3.409 898 1HB TRP 123 1HB TRP 123 12.726 -1.348 1.243 899 2HB TRP 123 2HB TRP 123 11.445 -2.520 1.530 900 HD1 TRP 123 HD1 TRP 123 11.787 0.808 2.273 901 HE1 TRP 123 HE1 TRP 123 10.910 1.492 4.594 902 HE3 TRP 123 HE3 TRP 123 11.677 -3.765 4.521 903 HZ2 TRP 123 HZ2 TRP 123 10.270 0.225 7.022 904 HZ3 TRP 123 HZ3 TRP 123 10.923 -3.953 6.834 905 HH2 TRP 123 HH2 TRP 123 10.226 -1.974 8.073 906 H ILE 124 H ILE 124 14.799 -3.762 0.438 907 HA ILE 124 HA ILE 124 13.311 -6.265 -0.025 908 HB ILE 124 HB ILE 124 13.917 -6.004 -2.453 909 1HG1 ILE 124 1HG1 ILE 124 14.036 -3.155 -2.508 910 2HG1 ILE 124 2HG1 ILE 124 15.296 -3.729 -1.420 911 1HG2 ILE 124 1HG2 ILE 124 12.069 -3.965 -1.223 912 2HG2 ILE 124 2HG2 ILE 124 12.072 -4.436 -2.924 913 3HG2 ILE 124 3HG2 ILE 124 11.661 -5.618 -1.681 914 1HD1 ILE 124 1HD1 ILE 124 15.961 -5.312 -3.296 915 2HD1 ILE 124 2HD1 ILE 124 14.924 -4.330 -4.330 916 3HD1 ILE 124 3HD1 ILE 124 16.308 -3.598 -3.519 917 H ARG 125 H ARG 125 16.030 -5.218 1.199 918 HA ARG 125 HA ARG 125 18.083 -6.490 -0.271 919 1HB ARG 125 1HB ARG 125 18.105 -4.760 1.764 920 2HB ARG 125 2HB ARG 125 18.334 -6.241 2.683 921 1HG ARG 125 1HG ARG 125 20.504 -5.727 2.293 922 2HG ARG 125 2HG ARG 125 20.183 -6.660 0.829 923 1HD ARG 125 1HD ARG 125 19.426 -3.924 0.429 924 2HD ARG 125 2HD ARG 125 21.082 -4.002 1.026 925 HE ARG 125 HE ARG 125 20.241 -5.612 -1.286 926 1HH1 ARG 125 1HH1 ARG 125 22.298 -3.196 0.153 927 2HH1 ARG 125 2HH1 ARG 125 23.369 -3.115 -1.203 928 1HH2 ARG 125 1HH2 ARG 125 21.648 -5.513 -3.077 929 2HH2 ARG 125 2HH2 ARG 125 23.000 -4.431 -3.041 930 H GLY 126 H GLY 126 17.654 -8.591 -0.802 931 1HA GLY 126 1HA GLY 126 17.398 -10.465 1.468 932 2HA GLY 126 2HA GLY 126 18.334 -10.812 0.023 933 H CYS 127 H CYS 127 15.652 -9.195 -0.982 934 HA CYS 127 HA CYS 127 13.631 -11.121 -0.845 935 1HB CYS 127 1HB CYS 127 14.110 -8.679 -2.353 936 2HB CYS 127 2HB CYS 127 12.909 -9.765 -3.020 937 H ARG 128 H ARG 128 12.627 -11.715 -3.211 938 HA ARG 128 HA ARG 128 14.753 -12.982 -4.788 939 1HB ARG 128 1HB ARG 128 12.314 -14.353 -3.654 940 2HB ARG 128 2HB ARG 128 13.285 -15.033 -4.953 941 1HG ARG 128 1HG ARG 128 15.252 -14.979 -3.451 942 2HG ARG 128 2HG ARG 128 14.198 -14.422 -2.150 943 1HD ARG 128 1HD ARG 128 12.895 -16.644 -3.164 944 2HD ARG 128 2HD ARG 128 14.599 -17.097 -3.206 945 HE ARG 128 HE ARG 128 13.835 -15.926 -0.711 946 1HH1 ARG 128 1HH1 ARG 128 13.833 -18.879 -2.561 947 2HH1 ARG 128 2HH1 ARG 128 13.789 -19.904 -1.167 948 1HH2 ARG 128 1HH2 ARG 128 13.777 -17.268 1.131 949 2HH2 ARG 128 2HH2 ARG 128 13.757 -18.988 0.932 950 H LEU 129 H LEU 129 14.374 -11.372 -6.359 951 HA LEU 129 HA LEU 129 11.848 -11.720 -7.839 952 1HB LEU 129 1HB LEU 129 13.353 -9.190 -8.157 953 2HB LEU 129 2HB LEU 129 11.624 -9.478 -8.179 954 HG LEU 129 HG LEU 129 13.233 -9.567 -5.636 955 1HD1 LEU 129 1HD1 LEU 129 12.236 -7.249 -7.178 956 2HD1 LEU 129 2HD1 LEU 129 11.966 -7.230 -5.435 957 3HD1 LEU 129 3HD1 LEU 129 13.604 -7.377 -6.073 958 1HD2 LEU 129 1HD2 LEU 129 10.885 -10.595 -5.887 959 2HD2 LEU 129 2HD2 LEU 129 11.186 -9.509 -4.531 960 3HD2 LEU 129 3HD2 LEU 129 10.323 -8.925 -5.955 No H/Q in entry = 960 Start of MODEL 31 1 H1 LYS 1 H1 LYS 1 -7.069 -8.313 1.007 2 H2 LYS 1 H2 LYS 1 -7.894 -9.459 0.074 3 H3 LYS 1 H3 LYS 1 -7.683 -9.713 1.732 4 HA LYS 1 HA LYS 1 -5.832 -10.811 1.338 5 1HB LYS 1 1HB LYS 1 -6.994 -11.147 -0.902 6 2HB LYS 1 2HB LYS 1 -5.946 -9.884 -1.532 7 1HG LYS 1 1HG LYS 1 -4.463 -11.464 -1.987 8 2HG LYS 1 2HG LYS 1 -4.226 -11.653 -0.248 9 1HD LYS 1 1HD LYS 1 -5.419 -13.574 -0.163 10 2HD LYS 1 2HD LYS 1 -6.568 -13.039 -1.392 11 1HE LYS 1 1HE LYS 1 -5.284 -14.903 -2.236 12 2HE LYS 1 2HE LYS 1 -4.857 -13.439 -3.122 13 1HZ LYS 1 1HZ LYS 1 -3.286 -14.560 -0.865 14 2HZ LYS 1 2HZ LYS 1 -2.919 -14.791 -2.500 15 3HZ LYS 1 3HZ LYS 1 -2.859 -13.238 -1.830 16 H VAL 2 H VAL 2 -3.921 -10.201 2.090 17 HA VAL 2 HA VAL 2 -2.788 -7.645 1.164 18 HB VAL 2 HB VAL 2 -2.391 -9.086 3.790 19 1HG1 VAL 2 1HG1 VAL 2 -0.447 -7.660 2.575 20 2HG1 VAL 2 2HG1 VAL 2 -1.300 -6.371 3.423 21 3HG1 VAL 2 3HG1 VAL 2 -0.652 -7.740 4.325 22 1HG2 VAL 2 1HG2 VAL 2 -4.277 -7.151 2.914 23 2HG2 VAL 2 2HG2 VAL 2 -4.079 -7.847 4.522 24 3HG2 VAL 2 3HG2 VAL 2 -3.196 -6.386 4.079 25 H PHE 3 H PHE 3 -0.906 -7.678 0.064 26 HA PHE 3 HA PHE 3 0.409 -10.190 -0.446 27 1HB PHE 3 1HB PHE 3 1.218 -7.376 -1.219 28 2HB PHE 3 2HB PHE 3 1.947 -8.851 -1.831 29 HD1 PHE 3 HD1 PHE 3 -1.281 -9.833 -1.695 30 HD2 PHE 3 HD2 PHE 3 1.143 -7.011 -3.759 31 HE1 PHE 3 HE1 PHE 3 -2.874 -9.834 -3.567 32 HE2 PHE 3 HE2 PHE 3 -0.442 -7.006 -5.630 33 HZ PHE 3 HZ PHE 3 -2.455 -8.419 -5.542 34 H GLY 4 H GLY 4 3.000 -9.890 -0.459 35 1HA GLY 4 1HA GLY 4 4.544 -10.406 1.312 36 2HA GLY 4 2HA GLY 4 3.691 -9.249 2.328 37 H ARG 5 H ARG 5 6.563 -9.425 1.575 38 HA ARG 5 HA ARG 5 6.843 -6.640 0.768 39 1HB ARG 5 1HB ARG 5 8.975 -8.571 1.698 40 2HB ARG 5 2HB ARG 5 9.147 -6.830 1.520 41 1HG ARG 5 1HG ARG 5 8.534 -6.585 3.629 42 2HG ARG 5 2HG ARG 5 6.949 -7.248 3.225 43 1HD ARG 5 1HD ARG 5 7.392 -9.013 4.495 44 2HD ARG 5 2HD ARG 5 8.722 -9.431 3.414 45 HE ARG 5 HE ARG 5 9.897 -7.635 4.979 46 1HH1 ARG 5 1HH1 ARG 5 7.813 -10.307 5.791 47 2HH1 ARG 5 2HH1 ARG 5 8.540 -10.569 7.341 48 1HH2 ARG 5 1HH2 ARG 5 10.859 -7.973 7.018 49 2HH2 ARG 5 2HH2 ARG 5 10.271 -9.242 8.039 50 H CYS 6 H CYS 6 8.392 -9.734 -0.131 51 HA CYS 6 HA CYS 6 9.355 -8.541 -2.570 52 1HB CYS 6 1HB CYS 6 9.452 -11.483 -2.055 53 2HB CYS 6 2HB CYS 6 10.593 -10.446 -2.906 54 H GLU 7 H GLU 7 6.818 -10.823 -1.642 55 HA GLU 7 HA GLU 7 6.055 -11.847 -4.064 56 1HB GLU 7 1HB GLU 7 4.491 -10.974 -1.664 57 2HB GLU 7 2HB GLU 7 3.619 -11.455 -3.113 58 1HG GLU 7 1HG GLU 7 5.434 -13.486 -2.799 59 2HG GLU 7 2HG GLU 7 5.011 -13.076 -1.138 60 H LEU 8 H LEU 8 5.022 -8.749 -2.688 61 HA LEU 8 HA LEU 8 3.695 -7.884 -5.041 62 1HB LEU 8 1HB LEU 8 3.015 -6.829 -3.042 63 2HB LEU 8 2HB LEU 8 4.666 -6.439 -2.589 64 HG LEU 8 HG LEU 8 4.715 -4.903 -4.622 65 1HD1 LEU 8 1HD1 LEU 8 2.639 -5.983 -5.607 66 2HD1 LEU 8 2HD1 LEU 8 1.724 -5.044 -4.429 67 3HD1 LEU 8 3HD1 LEU 8 2.713 -4.222 -5.635 68 1HD2 LEU 8 1HD2 LEU 8 4.490 -4.148 -2.266 69 2HD2 LEU 8 2HD2 LEU 8 3.715 -3.081 -3.436 70 3HD2 LEU 8 3HD2 LEU 8 2.739 -4.184 -2.468 71 H ALA 9 H ALA 9 7.016 -7.519 -3.802 72 HA ALA 9 HA ALA 9 7.843 -5.540 -5.619 73 1HB ALA 9 1HB ALA 9 9.082 -6.324 -3.581 74 2HB ALA 9 2HB ALA 9 10.061 -6.075 -5.026 75 3HB ALA 9 3HB ALA 9 9.613 -7.709 -4.537 76 H ALA 10 H ALA 10 8.215 -9.092 -5.837 77 HA ALA 10 HA ALA 10 9.414 -9.237 -8.312 78 1HB ALA 10 1HB ALA 10 7.865 -11.419 -8.435 79 2HB ALA 10 2HB ALA 10 9.291 -11.319 -7.401 80 3HB ALA 10 3HB ALA 10 7.688 -11.045 -6.720 81 H ALA 11 H ALA 11 6.025 -8.815 -7.440 82 HA ALA 11 HA ALA 11 4.994 -8.988 -10.053 83 1HB ALA 11 1HB ALA 11 3.944 -7.749 -7.543 84 2HB ALA 11 2HB ALA 11 3.422 -9.239 -8.329 85 3HB ALA 11 3HB ALA 11 3.050 -7.678 -9.061 86 H MET 12 H MET 12 6.270 -6.421 -8.179 87 HA MET 12 HA MET 12 5.576 -4.231 -9.802 88 1HB MET 12 1HB MET 12 8.178 -4.399 -8.304 89 2HB MET 12 2HB MET 12 7.228 -2.975 -8.649 90 1HG MET 12 1HG MET 12 6.544 -5.162 -6.718 91 2HG MET 12 2HG MET 12 7.043 -3.518 -6.329 92 1HE MET 12 1HE MET 12 5.888 -1.718 -8.011 93 2HE MET 12 2HE MET 12 4.139 -1.494 -7.958 94 3HE MET 12 3HE MET 12 5.095 -1.319 -6.487 95 H LYS 13 H LYS 13 8.542 -6.183 -9.719 96 HA LYS 13 HA LYS 13 9.965 -4.959 -11.741 97 1HB LYS 13 1HB LYS 13 10.344 -7.165 -10.179 98 2HB LYS 13 2HB LYS 13 10.110 -7.903 -11.757 99 1HG LYS 13 1HG LYS 13 11.997 -5.619 -11.542 100 2HG LYS 13 2HG LYS 13 12.494 -7.188 -10.904 101 1HD LYS 13 1HD LYS 13 11.311 -7.635 -13.437 102 2HD LYS 13 2HD LYS 13 12.441 -6.292 -13.611 103 1HE LYS 13 1HE LYS 13 14.057 -7.817 -13.757 104 2HE LYS 13 2HE LYS 13 13.804 -8.119 -12.039 105 1HZ LYS 13 1HZ LYS 13 12.325 -9.525 -14.193 106 2HZ LYS 13 2HZ LYS 13 13.723 -10.135 -13.461 107 3HZ LYS 13 3HZ LYS 13 12.324 -9.893 -12.541 108 H ARG 14 H ARG 14 7.582 -7.570 -11.991 109 HA ARG 14 HA ARG 14 7.730 -7.850 -14.793 110 1HB ARG 14 1HB ARG 14 6.675 -9.447 -13.091 111 2HB ARG 14 2HB ARG 14 5.271 -8.390 -13.136 112 1HG ARG 14 1HG ARG 14 4.531 -9.424 -14.944 113 2HG ARG 14 2HG ARG 14 6.012 -9.008 -15.810 114 1HD ARG 14 1HD ARG 14 5.895 -11.333 -13.916 115 2HD ARG 14 2HD ARG 14 5.393 -11.488 -15.600 116 HE ARG 14 HE ARG 14 8.077 -10.486 -14.953 117 1HH1 ARG 14 1HH1 ARG 14 6.004 -12.886 -16.396 118 2HH1 ARG 14 2HH1 ARG 14 7.291 -13.676 -17.244 119 1HH2 ARG 14 1HH2 ARG 14 9.779 -11.519 -16.065 120 2HH2 ARG 14 2HH2 ARG 14 9.437 -12.899 -17.055 121 H HIS 15 H HIS 15 5.743 -5.833 -12.665 122 HA HIS 15 HA HIS 15 4.144 -4.803 -14.783 123 1HB HIS 15 1HB HIS 15 4.458 -4.271 -11.868 124 2HB HIS 15 2HB HIS 15 3.659 -3.052 -12.856 125 HD1 HIS 15 HD1 HIS 15 2.394 -5.028 -10.606 126 HD2 HIS 15 HD2 HIS 15 1.962 -5.258 -14.732 127 HE1 HIS 15 HE1 HIS 15 0.263 -6.304 -10.987 128 HE2 HIS 15 HE2 HIS 15 -0.023 -6.358 -13.490 129 H GLY 16 H GLY 16 7.367 -4.204 -14.043 130 1HA GLY 16 1HA GLY 16 7.386 -1.959 -15.772 131 2HA GLY 16 2HA GLY 16 8.765 -2.690 -14.981 132 H LEU 17 H LEU 17 7.363 -2.173 -12.239 133 HA LEU 17 HA LEU 17 7.459 0.719 -12.238 134 1HB LEU 17 1HB LEU 17 7.167 -0.952 -9.777 135 2HB LEU 17 2HB LEU 17 6.598 0.677 -10.062 136 HG LEU 17 HG LEU 17 5.321 -1.906 -10.649 137 1HD1 LEU 17 1HD1 LEU 17 4.748 0.169 -9.061 138 2HD1 LEU 17 2HD1 LEU 17 3.847 0.654 -10.497 139 3HD1 LEU 17 3HD1 LEU 17 3.513 -0.898 -9.729 140 1HD2 LEU 17 1HD2 LEU 17 5.344 0.338 -12.638 141 2HD2 LEU 17 2HD2 LEU 17 5.439 -1.401 -12.916 142 3HD2 LEU 17 3HD2 LEU 17 3.907 -0.666 -12.442 143 H ASP 18 H ASP 18 9.652 -1.692 -11.973 144 HA ASP 18 HA ASP 18 11.330 -0.644 -9.929 145 1HB ASP 18 1HB ASP 18 11.852 -2.839 -10.250 146 2HB ASP 18 2HB ASP 18 11.574 -2.774 -11.980 147 H ASN 19 H ASN 19 11.836 1.423 -10.179 148 HA ASN 19 HA ASN 19 12.938 3.277 -10.848 149 1HB ASN 19 1HB ASN 19 14.738 1.352 -11.222 150 2HB ASN 19 2HB ASN 19 14.510 1.794 -12.911 151 2HD2 ASN 19 2HD2 ASN 19 16.122 3.032 -13.521 152 1HD2 ASN 19 1HD2 ASN 19 16.784 4.356 -12.631 153 H TYR 20 H TYR 20 10.522 2.542 -12.098 154 HA TYR 20 HA TYR 20 10.622 3.031 -14.912 155 1HB TYR 20 1HB TYR 20 8.726 1.890 -13.731 156 2HB TYR 20 2HB TYR 20 8.299 3.434 -13.006 157 HD1 TYR 20 HD1 TYR 20 8.914 1.970 -16.396 158 HD2 TYR 20 HD2 TYR 20 6.636 4.662 -14.016 159 HE1 TYR 20 HE1 TYR 20 7.504 2.490 -18.342 160 HE2 TYR 20 HE2 TYR 20 5.219 5.189 -15.955 161 HH TYR 20 HH TYR 20 4.998 4.972 -18.187 162 H ARG 21 H ARG 21 9.290 5.022 -15.770 163 HA ARG 21 HA ARG 21 10.635 7.293 -15.663 164 1HB ARG 21 1HB ARG 21 7.950 6.612 -16.355 165 2HB ARG 21 2HB ARG 21 7.936 8.169 -15.537 166 1HG ARG 21 1HG ARG 21 8.364 9.007 -17.559 167 2HG ARG 21 2HG ARG 21 10.021 8.478 -17.257 168 1HD ARG 21 1HD ARG 21 7.892 6.873 -18.668 169 2HD ARG 21 2HD ARG 21 9.207 7.745 -19.454 170 HE ARG 21 HE ARG 21 9.398 5.251 -17.972 171 1HH1 ARG 21 1HH1 ARG 21 11.051 7.894 -19.529 172 2HH1 ARG 21 2HH1 ARG 21 12.546 7.034 -19.689 173 1HH2 ARG 21 1HH2 ARG 21 11.362 4.111 -18.179 174 2HH2 ARG 21 2HH2 ARG 21 12.722 4.883 -18.922 175 H GLY 22 H GLY 22 8.777 6.021 -13.113 176 1HA GLY 22 1HA GLY 22 8.020 7.013 -11.097 177 2HA GLY 22 2HA GLY 22 8.892 8.478 -11.525 178 H TYR 23 H TYR 23 8.987 5.527 -9.827 179 HA TYR 23 HA TYR 23 11.822 5.963 -9.185 180 1HB TYR 23 1HB TYR 23 9.509 5.550 -7.321 181 2HB TYR 23 2HB TYR 23 11.161 5.212 -6.816 182 HD1 TYR 23 HD1 TYR 23 9.033 7.908 -8.258 183 HD2 TYR 23 HD2 TYR 23 12.487 6.941 -5.970 184 HE1 TYR 23 HE1 TYR 23 9.335 10.288 -7.720 185 HE2 TYR 23 HE2 TYR 23 12.797 9.318 -5.426 186 HH TYR 23 HH TYR 23 11.076 11.810 -7.015 187 H SER 24 H SER 24 12.553 4.117 -7.590 188 HA SER 24 HA SER 24 12.441 1.712 -9.185 189 1HB SER 24 1HB SER 24 14.339 0.975 -7.907 190 2HB SER 24 2HB SER 24 14.593 2.665 -8.341 191 HG SER 24 HG SER 24 13.907 1.558 -5.842 192 H LEU 25 H LEU 25 12.433 -0.392 -8.073 193 HA LEU 25 HA LEU 25 10.064 -1.104 -7.028 194 1HB LEU 25 1HB LEU 25 12.754 -2.229 -7.072 195 2HB LEU 25 2HB LEU 25 11.779 -2.836 -5.747 196 HG LEU 25 HG LEU 25 10.553 -2.813 -8.444 197 1HD1 LEU 25 1HD1 LEU 25 13.066 -3.773 -8.317 198 2HD1 LEU 25 2HD1 LEU 25 12.158 -5.202 -7.823 199 3HD1 LEU 25 3HD1 LEU 25 11.815 -4.432 -9.372 200 1HD2 LEU 25 1HD2 LEU 25 9.300 -3.556 -6.491 201 2HD2 LEU 25 2HD2 LEU 25 9.572 -4.895 -7.605 202 3HD2 LEU 25 3HD2 LEU 25 10.541 -4.758 -6.137 203 H GLY 26 H GLY 26 12.942 -0.570 -4.973 204 1HA GLY 26 1HA GLY 26 13.108 0.293 -2.843 205 2HA GLY 26 2HA GLY 26 11.914 -0.944 -2.497 206 H ASN 27 H ASN 27 11.369 1.927 -4.476 207 HA ASN 27 HA ASN 27 10.144 3.432 -2.388 208 1HB ASN 27 1HB ASN 27 9.860 3.805 -5.372 209 2HB ASN 27 2HB ASN 27 9.487 4.994 -4.127 210 2HD2 ASN 27 2HD2 ASN 27 11.948 3.485 -5.991 211 1HD2 ASN 27 1HD2 ASN 27 13.266 4.456 -5.439 212 H TRP 28 H TRP 28 8.947 1.247 -4.861 213 HA TRP 28 HA TRP 28 6.185 1.827 -4.495 214 1HB TRP 28 1HB TRP 28 7.563 -0.587 -5.667 215 2HB TRP 28 2HB TRP 28 5.827 -0.276 -5.753 216 HD1 TRP 28 HD1 TRP 28 9.082 0.635 -7.368 217 HE1 TRP 28 HE1 TRP 28 8.672 2.302 -9.274 218 HE3 TRP 28 HE3 TRP 28 4.169 1.669 -6.472 219 HZ2 TRP 28 HZ2 TRP 28 6.527 3.839 -10.298 220 HZ3 TRP 28 HZ3 TRP 28 2.990 3.234 -7.954 221 HH2 TRP 28 HH2 TRP 28 4.149 4.304 -9.834 222 H VAL 29 H VAL 29 8.330 -0.713 -3.236 223 HA VAL 29 HA VAL 29 6.336 -2.083 -1.802 224 HB VAL 29 HB VAL 29 9.306 -1.947 -1.268 225 1HG1 VAL 29 1HG1 VAL 29 7.111 -3.542 -0.085 226 2HG1 VAL 29 2HG1 VAL 29 8.630 -4.376 -0.413 227 3HG1 VAL 29 3HG1 VAL 29 8.611 -2.959 0.638 228 1HG2 VAL 29 1HG2 VAL 29 8.244 -2.781 -3.562 229 2HG2 VAL 29 2HG2 VAL 29 9.657 -3.551 -2.839 230 3HG2 VAL 29 3HG2 VAL 29 8.058 -4.265 -2.628 231 H CYS 30 H CYS 30 8.709 0.339 -0.816 232 HA CYS 30 HA CYS 30 8.043 0.470 1.883 233 1HB CYS 30 1HB CYS 30 10.003 1.530 0.579 234 2HB CYS 30 2HB CYS 30 8.901 2.871 0.289 235 H ALA 31 H ALA 31 6.823 2.435 -0.834 236 HA ALA 31 HA ALA 31 5.092 4.041 0.687 237 1HB ALA 31 1HB ALA 31 5.941 4.176 -1.817 238 2HB ALA 31 2HB ALA 31 4.454 4.964 -1.290 239 3HB ALA 31 3HB ALA 31 4.381 3.410 -2.121 240 H ALA 32 H ALA 32 4.469 1.055 -1.142 241 HA ALA 32 HA ALA 32 1.693 0.980 -0.588 242 1HB ALA 32 1HB ALA 32 2.118 -0.352 -2.367 243 2HB ALA 32 2HB ALA 32 2.207 -1.587 -1.112 244 3HB ALA 32 3HB ALA 32 3.686 -0.870 -1.749 245 H LYS 33 H LYS 33 4.451 -0.732 0.873 246 HA LYS 33 HA LYS 33 3.228 -2.363 2.659 247 1HB LYS 33 1HB LYS 33 5.658 -2.248 2.355 248 2HB LYS 33 2HB LYS 33 5.690 -0.687 3.163 249 1HG LYS 33 1HG LYS 33 4.725 -1.862 5.185 250 2HG LYS 33 2HG LYS 33 5.080 -3.376 4.350 251 1HD LYS 33 1HD LYS 33 7.423 -2.852 4.278 252 2HD LYS 33 2HD LYS 33 7.125 -1.235 4.920 253 1HE LYS 33 1HE LYS 33 6.034 -3.319 6.621 254 2HE LYS 33 2HE LYS 33 7.771 -3.496 6.381 255 1HZ LYS 33 1HZ LYS 33 7.538 -0.863 6.853 256 2HZ LYS 33 2HZ LYS 33 6.307 -1.477 7.838 257 3HZ LYS 33 3HZ LYS 33 7.898 -2.017 8.037 258 H PHE 34 H PHE 34 4.232 0.975 3.388 259 HA PHE 34 HA PHE 34 2.805 0.934 5.850 260 1HB PHE 34 1HB PHE 34 4.506 2.828 4.457 261 2HB PHE 34 2HB PHE 34 3.367 3.528 5.588 262 HD1 PHE 34 HD1 PHE 34 3.318 2.309 7.937 263 HD2 PHE 34 HD2 PHE 34 6.584 2.223 5.210 264 HE1 PHE 34 HE1 PHE 34 4.844 1.760 9.788 265 HE2 PHE 34 HE2 PHE 34 8.117 1.674 7.056 266 HZ PHE 34 HZ PHE 34 7.246 1.442 9.349 267 H GLU 35 H GLU 35 1.914 1.715 2.639 268 HA GLU 35 HA GLU 35 -0.060 3.634 3.150 269 1HB GLU 35 1HB GLU 35 1.005 2.230 0.948 270 2HB GLU 35 2HB GLU 35 -0.727 1.929 0.932 271 1HG GLU 35 1HG GLU 35 -1.249 4.144 0.595 272 2HG GLU 35 2HG GLU 35 0.271 4.716 1.282 273 H SER 36 H SER 36 -0.400 0.158 2.503 274 HA SER 36 HA SER 36 -2.917 0.179 4.047 275 1HB SER 36 1HB SER 36 -3.689 -1.559 2.301 276 2HB SER 36 2HB SER 36 -3.633 0.126 1.788 277 HG SER 36 HG SER 36 -1.496 -0.376 0.957 278 H ASN 37 H ASN 37 -0.002 -0.830 4.432 279 HA ASN 37 HA ASN 37 1.030 -2.618 5.420 280 1HB ASN 37 1HB ASN 37 -1.649 -2.545 6.501 281 2HB ASN 37 2HB ASN 37 -1.100 -4.212 6.367 282 2HD2 ASN 37 2HD2 ASN 37 0.145 -1.048 7.384 283 1HD2 ASN 37 1HD2 ASN 37 0.956 -1.632 8.794 284 H PHE 38 H PHE 38 0.158 -2.665 2.691 285 HA PHE 38 HA PHE 38 0.343 -3.948 0.898 286 1HB PHE 38 1HB PHE 38 1.000 -6.021 2.967 287 2HB PHE 38 2HB PHE 38 0.855 -6.441 1.263 288 HD1 PHE 38 HD1 PHE 38 2.016 -4.190 -0.106 289 HD2 PHE 38 HD2 PHE 38 3.252 -6.076 3.500 290 HE1 PHE 38 HE1 PHE 38 4.312 -3.415 -0.501 291 HE2 PHE 38 HE2 PHE 38 5.554 -5.300 3.115 292 HZ PHE 38 HZ PHE 38 6.090 -3.977 1.110 293 H ASN 39 H ASN 39 -2.196 -3.475 2.368 294 HA ASN 39 HA ASN 39 -3.784 -5.812 1.657 295 1HB ASN 39 1HB ASN 39 -4.101 -4.156 3.705 296 2HB ASN 39 2HB ASN 39 -5.036 -3.242 2.526 297 2HD2 ASN 39 2HD2 ASN 39 -5.762 -4.791 4.982 298 1HD2 ASN 39 1HD2 ASN 39 -7.014 -5.863 4.466 299 H THR 40 H THR 40 -4.159 -6.042 -0.432 300 HA THR 40 HA THR 40 -4.421 -3.715 -2.157 301 HB THR 40 HB THR 40 -3.890 -5.085 -3.916 302 HG1 THR 40 HG1 THR 40 -5.210 -6.718 -4.189 303 1HG2 THR 40 1HG2 THR 40 -2.402 -5.487 -1.657 304 2HG2 THR 40 2HG2 THR 40 -2.780 -7.136 -2.157 305 3HG2 THR 40 3HG2 THR 40 -1.967 -6.040 -3.275 306 H GLN 41 H GLN 41 -6.390 -6.159 -0.708 307 HA GLN 41 HA GLN 41 -8.634 -5.616 -2.478 308 1HB GLN 41 1HB GLN 41 -7.933 -7.680 -0.469 309 2HB GLN 41 2HB GLN 41 -9.636 -7.328 -0.679 310 1HG GLN 41 1HG GLN 41 -9.138 -7.639 -3.200 311 2HG GLN 41 2HG GLN 41 -7.690 -8.466 -2.629 312 2HE2 GLN 41 2HE2 GLN 41 -11.132 -8.371 -1.752 313 1HE2 GLN 41 1HE2 GLN 41 -11.337 -10.085 -1.682 314 H ALA 42 H ALA 42 -7.373 -4.107 0.133 315 HA ALA 42 HA ALA 42 -9.882 -3.613 1.516 316 1HB ALA 42 1HB ALA 42 -8.191 -2.017 2.811 317 2HB ALA 42 2HB ALA 42 -7.025 -3.131 2.098 318 3HB ALA 42 3HB ALA 42 -8.312 -3.746 3.135 319 H THR 43 H THR 43 -10.303 -1.350 2.206 320 HA THR 43 HA THR 43 -9.776 0.644 0.102 321 HB THR 43 HB THR 43 -12.016 1.269 -0.127 322 HG1 THR 43 HG1 THR 43 -13.647 0.513 1.351 323 1HG2 THR 43 1HG2 THR 43 -11.351 -1.269 -0.752 324 2HG2 THR 43 2HG2 THR 43 -12.723 -1.565 0.317 325 3HG2 THR 43 3HG2 THR 43 -12.923 -0.557 -1.117 326 H ASN 44 H ASN 44 -9.852 2.845 0.888 327 HA ASN 44 HA ASN 44 -10.011 3.094 3.818 328 1HB ASN 44 1HB ASN 44 -7.679 3.371 2.225 329 2HB ASN 44 2HB ASN 44 -8.117 4.978 2.796 330 2HD2 ASN 44 2HD2 ASN 44 -6.660 2.042 3.566 331 1HD2 ASN 44 1HD2 ASN 44 -6.425 2.314 5.256 332 H ARG 45 H ARG 45 -12.034 4.053 3.768 333 HA ARG 45 HA ARG 45 -12.697 6.210 2.041 334 1HB ARG 45 1HB ARG 45 -14.179 4.541 3.509 335 2HB ARG 45 2HB ARG 45 -14.118 5.891 4.635 336 1HG ARG 45 1HG ARG 45 -14.722 6.900 2.044 337 2HG ARG 45 2HG ARG 45 -15.800 5.548 2.397 338 1HD ARG 45 1HD ARG 45 -15.777 6.935 4.763 339 2HD ARG 45 2HD ARG 45 -15.695 8.224 3.563 340 HE ARG 45 HE ARG 45 -17.814 7.631 2.802 341 1HH1 ARG 45 1HH1 ARG 45 -16.708 5.453 5.286 342 2HH1 ARG 45 2HH1 ARG 45 -18.272 4.759 5.554 343 1HH2 ARG 45 1HH2 ARG 45 -19.877 6.724 3.148 344 2HH2 ARG 45 2HH2 ARG 45 -20.073 5.480 4.339 345 H ASN 46 H ASN 46 -12.500 8.352 2.281 346 HA ASN 46 HA ASN 46 -11.182 9.328 4.728 347 1HB ASN 46 1HB ASN 46 -11.189 10.802 2.110 348 2HB ASN 46 2HB ASN 46 -10.065 10.954 3.456 349 2HD2 ASN 46 2HD2 ASN 46 -10.009 10.157 0.449 350 1HD2 ASN 46 1HD2 ASN 46 -8.939 8.800 0.441 351 H THR 47 H THR 47 -11.571 11.832 4.915 352 HA THR 47 HA THR 47 -14.428 12.132 5.292 353 HB THR 47 HB THR 47 -13.808 14.291 6.392 354 HG1 THR 47 HG1 THR 47 -11.905 14.960 5.647 355 1HG2 THR 47 1HG2 THR 47 -13.252 11.619 7.257 356 2HG2 THR 47 2HG2 THR 47 -12.059 12.716 7.952 357 3HG2 THR 47 3HG2 THR 47 -13.780 13.006 8.211 358 H ASP 48 H ASP 48 -11.973 13.255 3.113 359 HA ASP 48 HA ASP 48 -13.343 15.551 2.147 360 1HB ASP 48 1HB ASP 48 -11.761 15.319 0.190 361 2HB ASP 48 2HB ASP 48 -10.994 15.440 1.770 362 H GLY 49 H GLY 49 -13.936 12.262 1.791 363 1HA GLY 49 1HA GLY 49 -15.665 12.809 -0.541 364 2HA GLY 49 2HA GLY 49 -16.056 11.668 0.733 365 H SER 50 H SER 50 -12.831 11.851 -0.585 366 HA SER 50 HA SER 50 -13.238 9.768 -2.515 367 1HB SER 50 1HB SER 50 -10.584 9.811 -2.355 368 2HB SER 50 2HB SER 50 -11.477 11.075 -3.200 369 HG SER 50 HG SER 50 -10.426 11.158 -0.569 370 H THR 51 H THR 51 -11.282 7.995 -2.320 371 HA THR 51 HA THR 51 -11.003 6.883 0.312 372 HB THR 51 HB THR 51 -12.812 5.521 -1.689 373 HG1 THR 51 HG1 THR 51 -14.148 5.540 0.349 374 1HG2 THR 51 1HG2 THR 51 -11.091 4.047 -0.434 375 2HG2 THR 51 2HG2 THR 51 -12.092 4.369 0.982 376 3HG2 THR 51 3HG2 THR 51 -12.788 3.567 -0.426 377 H ASP 52 H ASP 52 -9.526 5.076 0.339 378 HA ASP 52 HA ASP 52 -7.873 4.931 -2.079 379 1HB ASP 52 1HB ASP 52 -7.234 4.023 0.734 380 2HB ASP 52 2HB ASP 52 -6.114 4.081 -0.623 381 H TYR 53 H TYR 53 -8.842 3.480 -3.348 382 HA TYR 53 HA TYR 53 -9.613 0.932 -2.206 383 1HB TYR 53 1HB TYR 53 -9.937 2.025 -4.999 384 2HB TYR 53 2HB TYR 53 -10.471 0.431 -4.474 385 HD1 TYR 53 HD1 TYR 53 -12.377 0.172 -2.995 386 HD2 TYR 53 HD2 TYR 53 -11.125 4.023 -4.296 387 HE1 TYR 53 HE1 TYR 53 -14.524 1.113 -2.253 388 HE2 TYR 53 HE2 TYR 53 -13.268 4.975 -3.558 389 HH TYR 53 HH TYR 53 -15.666 3.011 -1.860 390 H GLY 54 H GLY 54 -7.634 0.145 -1.685 391 1HA GLY 54 1HA GLY 54 -5.888 -0.583 -3.963 392 2HA GLY 54 2HA GLY 54 -6.518 -1.854 -2.943 393 H ILE 55 H ILE 55 -4.040 -1.994 -3.269 394 HA ILE 55 HA ILE 55 -2.871 -1.537 -0.678 395 HB ILE 55 HB ILE 55 -2.504 -3.617 -2.072 396 1HG1 ILE 55 1HG1 ILE 55 -0.034 -2.061 -1.261 397 2HG1 ILE 55 2HG1 ILE 55 -1.014 -3.073 -0.203 398 1HG2 ILE 55 1HG2 ILE 55 -1.685 -1.666 -3.981 399 2HG2 ILE 55 2HG2 ILE 55 -0.325 -2.735 -3.636 400 3HG2 ILE 55 3HG2 ILE 55 -1.861 -3.409 -4.182 401 1HD1 ILE 55 1HD1 ILE 55 -0.181 -4.592 -2.478 402 2HD1 ILE 55 2HD1 ILE 55 1.215 -3.822 -1.723 403 3HD1 ILE 55 3HD1 ILE 55 0.157 -4.859 -0.767 404 H LEU 56 H LEU 56 -2.962 0.073 -3.694 405 HA LEU 56 HA LEU 56 -0.678 1.764 -2.932 406 1HB LEU 56 1HB LEU 56 -1.234 0.495 -5.388 407 2HB LEU 56 2HB LEU 56 -1.571 2.195 -5.645 408 HG LEU 56 HG LEU 56 0.671 1.980 -6.285 409 1HD1 LEU 56 1HD1 LEU 56 0.183 3.746 -4.494 410 2HD1 LEU 56 2HD1 LEU 56 1.060 2.680 -3.395 411 3HD1 LEU 56 3HD1 LEU 56 1.868 3.337 -4.819 412 1HD2 LEU 56 1HD2 LEU 56 0.925 0.130 -3.930 413 2HD2 LEU 56 2HD2 LEU 56 1.205 -0.210 -5.638 414 3HD2 LEU 56 3HD2 LEU 56 2.333 0.811 -4.746 415 H GLN 57 H GLN 57 -3.827 1.627 -2.553 416 HA GLN 57 HA GLN 57 -5.464 3.112 -2.109 417 1HB GLN 57 1HB GLN 57 -3.276 5.181 -2.351 418 2HB GLN 57 2HB GLN 57 -4.848 5.421 -1.602 419 1HG GLN 57 1HG GLN 57 -4.147 3.464 -0.065 420 2HG GLN 57 2HG GLN 57 -2.516 3.829 -0.629 421 2HE2 GLN 57 2HE2 GLN 57 -2.263 6.410 -0.688 422 1HE2 GLN 57 1HE2 GLN 57 -2.605 7.153 0.834 423 H ILE 58 H ILE 58 -6.184 2.421 -4.380 424 HA ILE 58 HA ILE 58 -5.824 4.481 -6.392 425 HB ILE 58 HB ILE 58 -7.678 2.132 -6.649 426 1HG1 ILE 58 1HG1 ILE 58 -5.651 1.098 -5.922 427 2HG1 ILE 58 2HG1 ILE 58 -5.715 0.912 -7.671 428 1HG2 ILE 58 1HG2 ILE 58 -7.244 4.197 -8.304 429 2HG2 ILE 58 2HG2 ILE 58 -5.993 3.092 -8.873 430 3HG2 ILE 58 3HG2 ILE 58 -7.681 2.582 -8.862 431 1HD1 ILE 58 1HD1 ILE 58 -4.230 2.958 -7.798 432 2HD1 ILE 58 2HD1 ILE 58 -3.998 2.768 -6.059 433 3HD1 ILE 58 3HD1 ILE 58 -3.499 1.484 -7.160 434 H ASN 59 H ASN 59 -6.902 6.279 -5.631 435 HA ASN 59 HA ASN 59 -9.413 6.248 -4.410 436 1HB ASN 59 1HB ASN 59 -7.865 8.172 -4.331 437 2HB ASN 59 2HB ASN 59 -8.140 8.454 -6.049 438 2HD2 ASN 59 2HD2 ASN 59 -8.768 10.590 -5.271 439 1HD2 ASN 59 1HD2 ASN 59 -10.392 10.840 -4.740 440 H SER 60 H SER 60 -11.035 5.158 -5.421 441 HA SER 60 HA SER 60 -11.439 5.094 -8.209 442 1HB SER 60 1HB SER 60 -13.285 3.787 -7.767 443 2HB SER 60 2HB SER 60 -12.409 3.601 -6.248 444 HG SER 60 HG SER 60 -13.722 5.464 -5.529 445 H ARG 61 H ARG 61 -11.808 7.654 -6.126 446 HA ARG 61 HA ARG 61 -14.125 8.817 -7.449 447 1HB ARG 61 1HB ARG 61 -13.522 9.038 -4.939 448 2HB ARG 61 2HB ARG 61 -12.357 10.240 -5.476 449 1HG ARG 61 1HG ARG 61 -14.806 10.873 -6.715 450 2HG ARG 61 2HG ARG 61 -15.156 10.525 -5.020 451 1HD ARG 61 1HD ARG 61 -14.223 12.435 -4.354 452 2HD ARG 61 2HD ARG 61 -12.766 12.126 -5.297 453 HE ARG 61 HE ARG 61 -14.326 12.959 -7.223 454 1HH1 ARG 61 1HH1 ARG 61 -14.118 14.189 -3.968 455 2HH1 ARG 61 2HH1 ARG 61 -14.575 15.799 -4.411 456 1HH2 ARG 61 1HH2 ARG 61 -14.927 15.077 -7.814 457 2HH2 ARG 61 2HH2 ARG 61 -15.035 16.305 -6.596 458 H TRP 62 H TRP 62 -10.673 9.553 -7.025 459 HA TRP 62 HA TRP 62 -10.794 11.599 -9.084 460 1HB TRP 62 1HB TRP 62 -9.109 11.062 -6.854 461 2HB TRP 62 2HB TRP 62 -8.107 11.018 -8.301 462 HD1 TRP 62 HD1 TRP 62 -10.798 13.408 -6.819 463 HE1 TRP 62 HE1 TRP 62 -10.035 15.823 -7.273 464 HE3 TRP 62 HE3 TRP 62 -6.498 12.429 -9.406 465 HZ2 TRP 62 HZ2 TRP 62 -7.893 17.139 -8.558 466 HZ3 TRP 62 HZ3 TRP 62 -5.150 14.322 -10.213 467 HH2 TRP 62 HH2 TRP 62 -5.835 16.628 -9.797 468 H TRP 63 H TRP 63 -10.344 8.282 -8.916 469 HA TRP 63 HA TRP 63 -9.304 8.229 -11.655 470 1HB TRP 63 1HB TRP 63 -8.282 6.355 -9.506 471 2HB TRP 63 2HB TRP 63 -7.742 6.454 -11.177 472 HD1 TRP 63 HD1 TRP 63 -6.670 7.485 -7.858 473 HE1 TRP 63 HE1 TRP 63 -4.933 9.384 -7.998 474 HE3 TRP 63 HE3 TRP 63 -7.382 8.849 -12.708 475 HZ2 TRP 63 HZ2 TRP 63 -3.994 11.231 -9.936 476 HZ3 TRP 63 HZ3 TRP 63 -6.066 10.683 -13.637 477 HH2 TRP 63 HH2 TRP 63 -4.389 11.856 -12.285 478 H CYS 64 H CYS 64 -9.750 6.224 -12.758 479 HA CYS 64 HA CYS 64 -11.243 4.714 -13.528 480 1HB CYS 64 1HB CYS 64 -11.264 2.741 -12.310 481 2HB CYS 64 2HB CYS 64 -9.861 3.565 -11.649 482 H ASN 65 H ASN 65 -13.356 3.930 -13.655 483 HA ASN 65 HA ASN 65 -15.291 5.682 -12.334 484 1HB ASN 65 1HB ASN 65 -15.334 5.401 -14.820 485 2HB ASN 65 2HB ASN 65 -15.736 3.704 -14.582 486 2HD2 ASN 65 2HD2 ASN 65 -16.853 6.983 -14.316 487 1HD2 ASN 65 1HD2 ASN 65 -18.529 6.610 -14.125 488 H ASP 66 H ASP 66 -15.907 4.936 -10.401 489 HA ASP 66 HA ASP 66 -16.258 2.065 -9.998 490 1HB ASP 66 1HB ASP 66 -16.316 2.535 -7.649 491 2HB ASP 66 2HB ASP 66 -14.990 3.461 -8.344 492 H GLY 67 H GLY 67 -18.122 4.984 -10.335 493 1HA GLY 67 1HA GLY 67 -20.538 3.486 -10.639 494 2HA GLY 67 2HA GLY 67 -20.384 5.234 -10.689 495 H ARG 68 H ARG 68 -19.097 3.743 -7.887 496 HA ARG 68 HA ARG 68 -21.571 3.928 -6.383 497 1HB ARG 68 1HB ARG 68 -18.985 2.636 -6.044 498 2HB ARG 68 2HB ARG 68 -19.515 3.447 -4.577 499 1HG ARG 68 1HG ARG 68 -20.578 1.517 -4.185 500 2HG ARG 68 2HG ARG 68 -21.789 2.174 -5.287 501 1HD ARG 68 1HD ARG 68 -21.269 0.722 -6.932 502 2HD ARG 68 2HD ARG 68 -19.543 0.779 -6.575 503 HE ARG 68 HE ARG 68 -20.542 -0.612 -4.489 504 1HH1 ARG 68 1HH1 ARG 68 -20.894 -0.934 -7.942 505 2HH1 ARG 68 2HH1 ARG 68 -21.103 -2.653 -7.888 506 1HH2 ARG 68 1HH2 ARG 68 -20.815 -2.874 -4.411 507 2HH2 ARG 68 2HH2 ARG 68 -21.058 -3.756 -5.882 508 H THR 69 H THR 69 -19.174 6.039 -7.305 509 HA THR 69 HA THR 69 -19.736 7.803 -5.012 510 HB THR 69 HB THR 69 -17.183 7.890 -6.619 511 HG1 THR 69 HG1 THR 69 -16.246 6.731 -4.899 512 1HG2 THR 69 1HG2 THR 69 -18.167 9.189 -4.097 513 2HG2 THR 69 2HG2 THR 69 -16.443 9.028 -4.432 514 3HG2 THR 69 3HG2 THR 69 -17.473 9.943 -5.533 515 HA PRO 70 HA PRO 70 -21.667 10.000 -8.513 516 1HB PRO 70 1HB PRO 70 -22.259 11.828 -6.237 517 2HB PRO 70 2HB PRO 70 -23.338 11.203 -7.489 518 1HG PRO 70 1HG PRO 70 -23.432 10.236 -5.011 519 2HG PRO 70 2HG PRO 70 -23.621 9.167 -6.414 520 1HD PRO 70 1HD PRO 70 -21.259 9.549 -4.626 521 2HD PRO 70 2HD PRO 70 -21.867 8.068 -5.394 522 H GLY 71 H GLY 71 -19.866 10.739 -9.602 523 1HA GLY 71 1HA GLY 71 -18.496 13.086 -8.450 524 2HA GLY 71 2HA GLY 71 -19.096 13.107 -10.102 525 H SER 72 H SER 72 -18.269 10.109 -10.116 526 HA SER 72 HA SER 72 -15.476 9.972 -9.886 527 1HB SER 72 1HB SER 72 -17.400 8.138 -10.334 528 2HB SER 72 2HB SER 72 -16.770 8.303 -11.973 529 HG SER 72 HG SER 72 -15.519 6.771 -11.048 530 H ARG 73 H ARG 73 -13.945 10.924 -11.044 531 HA ARG 73 HA ARG 73 -14.526 12.424 -13.389 532 1HB ARG 73 1HB ARG 73 -12.552 12.507 -11.519 533 2HB ARG 73 2HB ARG 73 -11.703 11.750 -12.861 534 1HG ARG 73 1HG ARG 73 -11.287 13.971 -13.245 535 2HG ARG 73 2HG ARG 73 -12.717 13.708 -14.247 536 1HD ARG 73 1HD ARG 73 -13.262 14.481 -11.463 537 2HD ARG 73 2HD ARG 73 -12.454 15.710 -12.436 538 HE ARG 73 HE ARG 73 -14.388 15.184 -14.073 539 1HH1 ARG 73 1HH1 ARG 73 -14.594 15.228 -10.594 540 2HH1 ARG 73 2HH1 ARG 73 -16.267 15.676 -10.570 541 1HH2 ARG 73 1HH2 ARG 73 -16.591 15.775 -14.050 542 2HH2 ARG 73 2HH2 ARG 73 -17.401 15.986 -12.535 543 H ASN 74 H ASN 74 -12.886 9.346 -12.798 544 HA ASN 74 HA ASN 74 -12.446 7.561 -14.159 545 1HB ASN 74 1HB ASN 74 -14.808 8.185 -15.045 546 2HB ASN 74 2HB ASN 74 -13.949 8.899 -16.406 547 2HD2 ASN 74 2HD2 ASN 74 -14.624 7.488 -17.942 548 1HD2 ASN 74 1HD2 ASN 74 -14.196 5.814 -17.964 549 H LEU 75 H LEU 75 -10.717 9.757 -13.921 550 HA LEU 75 HA LEU 75 -9.597 10.733 -16.286 551 1HB LEU 75 1HB LEU 75 -8.859 10.320 -13.467 552 2HB LEU 75 2HB LEU 75 -7.519 10.501 -14.573 553 HG LEU 75 HG LEU 75 -9.808 12.465 -14.248 554 1HD1 LEU 75 1HD1 LEU 75 -8.382 12.279 -12.229 555 2HD1 LEU 75 2HD1 LEU 75 -6.987 12.720 -13.215 556 3HD1 LEU 75 3HD1 LEU 75 -8.311 13.865 -12.998 557 1HD2 LEU 75 1HD2 LEU 75 -7.194 12.684 -15.741 558 2HD2 LEU 75 2HD2 LEU 75 -8.806 12.588 -16.448 559 3HD2 LEU 75 3HD2 LEU 75 -8.341 14.002 -15.502 560 H CYS 76 H CYS 76 -8.737 8.154 -14.203 561 HA CYS 76 HA CYS 76 -6.638 7.054 -15.724 562 1HB CYS 76 1HB CYS 76 -7.667 6.832 -13.212 563 2HB CYS 76 2HB CYS 76 -8.091 5.282 -13.927 564 H ASN 77 H ASN 77 -10.079 6.525 -15.514 565 HA ASN 77 HA ASN 77 -11.563 5.275 -16.720 566 1HB ASN 77 1HB ASN 77 -10.061 6.614 -18.537 567 2HB ASN 77 2HB ASN 77 -9.729 4.956 -19.027 568 2HD2 ASN 77 2HD2 ASN 77 -11.522 7.430 -19.841 569 1HD2 ASN 77 1HD2 ASN 77 -12.975 6.652 -20.358 570 H ILE 78 H ILE 78 -10.322 3.814 -14.942 571 HA ILE 78 HA ILE 78 -9.645 1.333 -16.350 572 HB ILE 78 HB ILE 78 -7.826 0.940 -15.094 573 1HG1 ILE 78 1HG1 ILE 78 -9.554 1.914 -12.887 574 2HG1 ILE 78 2HG1 ILE 78 -8.535 0.483 -12.968 575 1HG2 ILE 78 1HG2 ILE 78 -7.487 3.174 -16.016 576 2HG2 ILE 78 2HG2 ILE 78 -8.138 3.882 -14.538 577 3HG2 ILE 78 3HG2 ILE 78 -6.630 2.969 -14.489 578 1HD1 ILE 78 1HD1 ILE 78 -6.565 2.029 -12.678 579 2HD1 ILE 78 2HD1 ILE 78 -7.732 3.297 -12.308 580 3HD1 ILE 78 3HD1 ILE 78 -7.636 1.862 -11.288 581 HA PRO 79 HA PRO 79 -12.743 -0.571 -13.802 582 1HB PRO 79 1HB PRO 79 -11.902 -3.124 -13.676 583 2HB PRO 79 2HB PRO 79 -12.463 -2.415 -15.196 584 1HG PRO 79 1HG PRO 79 -9.674 -2.908 -14.249 585 2HG PRO 79 2HG PRO 79 -10.357 -3.098 -15.872 586 1HD PRO 79 1HD PRO 79 -8.868 -0.925 -15.028 587 2HD PRO 79 2HD PRO 79 -9.994 -0.910 -16.398 588 H CYS 80 H CYS 80 -12.775 0.109 -11.713 589 HA CYS 80 HA CYS 80 -10.586 0.048 -9.972 590 1HB CYS 80 1HB CYS 80 -13.389 0.061 -8.928 591 2HB CYS 80 2HB CYS 80 -11.996 1.000 -8.402 592 H SER 81 H SER 81 -13.562 -1.932 -9.735 593 HA SER 81 HA SER 81 -12.742 -3.606 -7.707 594 1HB SER 81 1HB SER 81 -14.474 -5.113 -8.390 595 2HB SER 81 2HB SER 81 -15.037 -3.480 -8.742 596 HG SER 81 HG SER 81 -14.084 -5.444 -10.533 597 H ALA 82 H ALA 82 -11.761 -3.668 -11.048 598 HA ALA 82 HA ALA 82 -10.824 -6.339 -11.144 599 1HB ALA 82 1HB ALA 82 -11.261 -4.674 -13.068 600 2HB ALA 82 2HB ALA 82 -9.933 -5.824 -13.218 601 3HB ALA 82 3HB ALA 82 -9.604 -4.148 -12.774 602 H LEU 83 H LEU 83 -9.747 -3.840 -9.288 603 HA LEU 83 HA LEU 83 -6.970 -4.823 -9.276 604 1HB LEU 83 1HB LEU 83 -6.211 -2.742 -8.674 605 2HB LEU 83 2HB LEU 83 -7.576 -2.320 -9.689 606 HG LEU 83 HG LEU 83 -8.785 -2.382 -7.266 607 1HD1 LEU 83 1HD1 LEU 83 -5.996 -2.382 -6.698 608 2HD1 LEU 83 2HD1 LEU 83 -6.668 -0.817 -6.239 609 3HD1 LEU 83 3HD1 LEU 83 -7.354 -2.302 -5.576 610 1HD2 LEU 83 1HD2 LEU 83 -7.896 -0.427 -9.145 611 2HD2 LEU 83 2HD2 LEU 83 -9.274 -0.366 -8.048 612 3HD2 LEU 83 3HD2 LEU 83 -7.695 0.206 -7.512 613 H LEU 84 H LEU 84 -9.863 -4.843 -7.540 614 HA LEU 84 HA LEU 84 -8.516 -5.290 -4.981 615 1HB LEU 84 1HB LEU 84 -11.478 -5.269 -5.249 616 2HB LEU 84 2HB LEU 84 -10.468 -4.679 -3.941 617 HG LEU 84 HG LEU 84 -10.421 -3.284 -6.582 618 1HD1 LEU 84 1HD1 LEU 84 -12.803 -3.572 -5.894 619 2HD1 LEU 84 2HD1 LEU 84 -12.424 -2.680 -4.421 620 3HD1 LEU 84 3HD1 LEU 84 -12.262 -1.895 -5.992 621 1HD2 LEU 84 1HD2 LEU 84 -8.841 -2.840 -4.615 622 2HD2 LEU 84 2HD2 LEU 84 -9.641 -1.456 -5.361 623 3HD2 LEU 84 3HD2 LEU 84 -10.239 -2.102 -3.832 624 H SER 85 H SER 85 -8.234 -7.271 -6.950 625 HA SER 85 HA SER 85 -9.675 -9.473 -5.653 626 1HB SER 85 1HB SER 85 -9.338 -10.543 -8.100 627 2HB SER 85 2HB SER 85 -10.787 -9.643 -7.651 628 HG SER 85 HG SER 85 -8.499 -8.551 -8.932 629 H SER 86 H SER 86 -7.224 -8.485 -4.988 630 HA SER 86 HA SER 86 -5.158 -9.208 -4.330 631 1HB SER 86 1HB SER 86 -5.598 -11.836 -5.738 632 2HB SER 86 2HB SER 86 -4.674 -11.509 -4.273 633 HG SER 86 HG SER 86 -6.416 -11.827 -3.152 634 H ASP 87 H ASP 87 -5.986 -8.092 -6.915 635 HA ASP 87 HA ASP 87 -3.637 -8.776 -8.544 636 1HB ASP 87 1HB ASP 87 -5.950 -9.377 -9.385 637 2HB ASP 87 2HB ASP 87 -6.269 -7.651 -9.477 638 H ILE 88 H ILE 88 -2.157 -7.160 -8.425 639 HA ILE 88 HA ILE 88 -3.023 -4.469 -7.785 640 HB ILE 88 HB ILE 88 -0.434 -4.085 -8.112 641 1HG1 ILE 88 1HG1 ILE 88 -0.266 -6.908 -7.173 642 2HG1 ILE 88 2HG1 ILE 88 -0.406 -6.626 -8.906 643 1HG2 ILE 88 1HG2 ILE 88 -1.869 -5.351 -5.812 644 2HG2 ILE 88 2HG2 ILE 88 -0.159 -4.938 -5.703 645 3HG2 ILE 88 3HG2 ILE 88 -1.352 -3.679 -6.019 646 1HD1 ILE 88 1HD1 ILE 88 1.578 -4.898 -7.739 647 2HD1 ILE 88 2HD1 ILE 88 1.910 -6.591 -7.375 648 3HD1 ILE 88 3HD1 ILE 88 1.731 -6.069 -9.050 649 H THR 89 H THR 89 -2.666 -6.257 -10.581 650 HA THR 89 HA THR 89 -1.356 -4.706 -12.402 651 HB THR 89 HB THR 89 -4.019 -5.912 -13.105 652 HG1 THR 89 HG1 THR 89 -2.736 -7.366 -11.748 653 1HG2 THR 89 1HG2 THR 89 -1.989 -4.743 -14.597 654 2HG2 THR 89 2HG2 THR 89 -1.736 -6.476 -14.805 655 3HG2 THR 89 3HG2 THR 89 -3.295 -5.756 -15.214 656 H ALA 90 H ALA 90 -4.870 -4.429 -11.749 657 HA ALA 90 HA ALA 90 -5.235 -2.158 -13.288 658 1HB ALA 90 1HB ALA 90 -6.808 -3.671 -11.345 659 2HB ALA 90 2HB ALA 90 -7.252 -1.970 -11.494 660 3HB ALA 90 3HB ALA 90 -7.267 -3.014 -12.916 661 H SER 91 H SER 91 -4.635 -2.500 -9.808 662 HA SER 91 HA SER 91 -4.875 0.222 -9.133 663 1HB SER 91 1HB SER 91 -2.960 -0.884 -7.405 664 2HB SER 91 2HB SER 91 -4.695 -0.749 -7.119 665 HG SER 91 HG SER 91 -4.978 -2.804 -7.752 666 H VAL 92 H VAL 92 -2.228 -1.648 -10.384 667 HA VAL 92 HA VAL 92 -0.318 0.449 -9.974 668 HB VAL 92 HB VAL 92 -0.104 -2.072 -11.618 669 1HG1 VAL 92 1HG1 VAL 92 1.755 0.266 -11.340 670 2HG1 VAL 92 2HG1 VAL 92 2.408 -1.354 -11.585 671 3HG1 VAL 92 3HG1 VAL 92 1.323 -0.650 -12.783 672 1HG2 VAL 92 1HG2 VAL 92 0.044 -1.744 -8.916 673 2HG2 VAL 92 2HG2 VAL 92 0.849 -3.029 -9.817 674 3HG2 VAL 92 3HG2 VAL 92 1.735 -1.567 -9.385 675 H ASN 93 H ASN 93 -2.022 -0.834 -12.829 676 HA ASN 93 HA ASN 93 -0.949 0.680 -14.754 677 1HB ASN 93 1HB ASN 93 -2.525 -0.358 -15.900 678 2HB ASN 93 2HB ASN 93 -3.298 -0.798 -14.399 679 2HD2 ASN 93 2HD2 ASN 93 -3.232 1.477 -17.019 680 1HD2 ASN 93 1HD2 ASN 93 -4.776 2.189 -16.709 681 H CYS 94 H CYS 94 -3.414 1.616 -12.453 682 HA CYS 94 HA CYS 94 -3.850 4.206 -13.475 683 1HB CYS 94 1HB CYS 94 -5.173 2.760 -11.687 684 2HB CYS 94 2HB CYS 94 -4.179 3.680 -10.561 685 H ALA 95 H ALA 95 -1.775 3.010 -10.823 686 HA ALA 95 HA ALA 95 -0.750 5.594 -10.211 687 1HB ALA 95 1HB ALA 95 -0.689 3.700 -8.644 688 2HB ALA 95 2HB ALA 95 0.581 2.975 -9.631 689 3HB ALA 95 3HB ALA 95 0.857 4.526 -8.837 690 H LYS 96 H LYS 96 0.316 3.019 -12.364 691 HA LYS 96 HA LYS 96 2.838 3.907 -13.034 692 1HB LYS 96 1HB LYS 96 1.021 2.018 -14.043 693 2HB LYS 96 2HB LYS 96 1.366 3.083 -15.398 694 1HG LYS 96 1HG LYS 96 3.834 2.514 -14.172 695 2HG LYS 96 2HG LYS 96 2.959 0.987 -14.298 696 1HD LYS 96 1HD LYS 96 2.957 2.784 -16.664 697 2HD LYS 96 2HD LYS 96 4.452 1.928 -16.284 698 1HE LYS 96 1HE LYS 96 2.419 0.027 -16.033 699 2HE LYS 96 2HE LYS 96 2.028 0.940 -17.488 700 1HZ LYS 96 1HZ LYS 96 4.417 0.561 -18.149 701 2HZ LYS 96 2HZ LYS 96 4.503 -0.572 -16.896 702 3HZ LYS 96 3HZ LYS 96 3.417 -0.803 -18.173 703 H LYS 97 H LYS 97 -0.330 4.896 -13.896 704 HA LYS 97 HA LYS 97 0.471 6.959 -15.771 705 1HB LYS 97 1HB LYS 97 -1.998 5.651 -15.033 706 2HB LYS 97 2HB LYS 97 -2.200 7.398 -15.006 707 1HG LYS 97 1HG LYS 97 -2.422 7.391 -17.204 708 2HG LYS 97 2HG LYS 97 -0.781 6.764 -17.362 709 1HD LYS 97 1HD LYS 97 -2.391 4.587 -16.605 710 2HD LYS 97 2HD LYS 97 -3.283 5.450 -17.859 711 1HE LYS 97 1HE LYS 97 -1.902 3.808 -18.919 712 2HE LYS 97 2HE LYS 97 -1.228 5.401 -19.264 713 1HZ LYS 97 1HZ LYS 97 0.094 4.741 -17.038 714 2HZ LYS 97 2HZ LYS 97 -0.110 3.213 -17.733 715 3HZ LYS 97 3HZ LYS 97 0.670 4.438 -18.600 716 H ILE 98 H ILE 98 -0.355 6.644 -12.401 717 HA ILE 98 HA ILE 98 -0.798 9.359 -11.827 718 HB ILE 98 HB ILE 98 0.123 7.129 -10.041 719 1HG1 ILE 98 1HG1 ILE 98 -2.541 8.559 -10.227 720 2HG1 ILE 98 2HG1 ILE 98 -2.192 7.018 -11.003 721 1HG2 ILE 98 1HG2 ILE 98 0.065 9.988 -9.570 722 2HG2 ILE 98 2HG2 ILE 98 -0.967 9.110 -8.441 723 3HG2 ILE 98 3HG2 ILE 98 0.741 8.695 -8.579 724 1HD1 ILE 98 1HD1 ILE 98 -1.714 6.078 -8.746 725 2HD1 ILE 98 2HD1 ILE 98 -2.281 7.598 -8.055 726 3HD1 ILE 98 3HD1 ILE 98 -3.383 6.589 -8.991 727 H VAL 99 H VAL 99 2.041 7.327 -11.505 728 HA VAL 99 HA VAL 99 3.793 9.431 -10.729 729 HB VAL 99 HB VAL 99 4.066 6.958 -10.209 730 1HG1 VAL 99 1HG1 VAL 99 3.988 6.619 -12.900 731 2HG1 VAL 99 2HG1 VAL 99 5.727 6.611 -12.606 732 3HG1 VAL 99 3HG1 VAL 99 4.685 5.462 -11.768 733 1HG2 VAL 99 1HG2 VAL 99 5.777 8.922 -10.037 734 2HG2 VAL 99 2HG2 VAL 99 6.305 7.257 -9.794 735 3HG2 VAL 99 3HG2 VAL 99 6.595 8.058 -11.338 736 H SER 100 H SER 100 2.737 8.166 -13.788 737 HA SER 100 HA SER 100 4.962 9.239 -15.281 738 1HB SER 100 1HB SER 100 3.896 8.402 -17.208 739 2HB SER 100 2HB SER 100 3.463 7.245 -15.949 740 HG SER 100 HG SER 100 1.670 7.929 -17.251 741 H ASP 101 H ASP 101 2.003 10.383 -14.023 742 HA ASP 101 HA ASP 101 2.479 13.004 -15.210 743 1HB ASP 101 1HB ASP 101 0.145 11.278 -15.798 744 2HB ASP 101 2HB ASP 101 -0.215 12.964 -15.443 745 H GLY 102 H GLY 102 3.077 13.642 -13.104 746 1HA GLY 102 1HA GLY 102 1.027 13.466 -11.019 747 2HA GLY 102 2HA GLY 102 1.525 15.068 -11.542 748 H ASN 103 H ASN 103 2.025 12.724 -9.280 749 HA ASN 103 HA ASN 103 4.789 13.607 -8.759 750 1HB ASN 103 1HB ASN 103 2.456 14.035 -7.162 751 2HB ASN 103 2HB ASN 103 3.526 12.934 -6.300 752 2HD2 ASN 103 2HD2 ASN 103 2.847 15.620 -5.586 753 1HD2 ASN 103 1HD2 ASN 103 4.316 16.529 -5.574 754 H GLY 104 H GLY 104 6.221 12.070 -7.991 755 1HA GLY 104 1HA GLY 104 7.100 9.966 -7.800 756 2HA GLY 104 2HA GLY 104 5.678 9.379 -8.646 757 H MET 105 H MET 105 7.373 9.165 -5.845 758 HA MET 105 HA MET 105 5.282 7.694 -4.529 759 1HB MET 105 1HB MET 105 7.837 8.349 -3.142 760 2HB MET 105 2HB MET 105 6.935 6.840 -3.174 761 1HG MET 105 1HG MET 105 8.673 7.942 -5.367 762 2HG MET 105 2HG MET 105 9.032 6.571 -4.318 763 1HE MET 105 1HE MET 105 6.993 4.814 -3.984 764 2HE MET 105 2HE MET 105 5.541 5.590 -4.615 765 3HE MET 105 3HE MET 105 6.147 4.111 -5.362 766 H ASN 106 H ASN 106 5.980 10.872 -4.782 767 HA ASN 106 HA ASN 106 5.690 11.732 -2.083 768 1HB ASN 106 1HB ASN 106 5.077 13.535 -4.377 769 2HB ASN 106 2HB ASN 106 6.016 13.837 -2.924 770 2HD2 ASN 106 2HD2 ASN 106 8.056 12.456 -2.784 771 1HD2 ASN 106 1HD2 ASN 106 9.001 12.373 -4.228 772 H ALA 107 H ALA 107 3.512 11.234 -4.809 773 HA ALA 107 HA ALA 107 1.275 12.619 -3.984 774 1HB ALA 107 1HB ALA 107 1.557 11.384 -6.141 775 2HB ALA 107 2HB ALA 107 -0.015 11.164 -5.371 776 3HB ALA 107 3HB ALA 107 1.203 9.893 -5.267 777 H TRP 108 H TRP 108 2.191 9.295 -3.144 778 HA TRP 108 HA TRP 108 -0.011 9.013 -1.316 779 1HB TRP 108 1HB TRP 108 2.395 7.228 -1.747 780 2HB TRP 108 2HB TRP 108 0.937 6.800 -0.851 781 HD1 TRP 108 HD1 TRP 108 -1.337 6.466 -2.314 782 HE1 TRP 108 HE1 TRP 108 -1.672 5.803 -4.779 783 HE3 TRP 108 HE3 TRP 108 3.375 7.405 -4.055 784 HZ2 TRP 108 HZ2 TRP 108 -0.141 5.695 -7.161 785 HZ3 TRP 108 HZ3 TRP 108 3.856 7.003 -6.431 786 HH2 TRP 108 HH2 TRP 108 2.139 6.161 -7.949 787 H VAL 109 H VAL 109 -0.053 9.454 0.770 788 HA VAL 109 HA VAL 109 2.072 10.898 1.988 789 HB VAL 109 HB VAL 109 -0.001 9.961 3.746 790 1HG1 VAL 109 1HG1 VAL 109 1.041 12.671 2.981 791 2HG1 VAL 109 2HG1 VAL 109 -0.153 12.383 4.246 792 3HG1 VAL 109 3HG1 VAL 109 1.476 11.730 4.407 793 1HG2 VAL 109 1HG2 VAL 109 -0.690 11.348 1.196 794 2HG2 VAL 109 2HG2 VAL 109 -1.516 10.008 1.992 795 3HG2 VAL 109 3HG2 VAL 109 -1.641 11.640 2.652 796 H ALA 110 H ALA 110 1.115 7.559 2.137 797 HA ALA 110 HA ALA 110 2.286 6.966 4.648 798 1HB ALA 110 1HB ALA 110 2.126 4.921 2.482 799 2HB ALA 110 2HB ALA 110 1.808 4.758 4.208 800 3HB ALA 110 3HB ALA 110 0.642 5.577 3.170 801 H TRP 111 H TRP 111 3.587 7.547 1.555 802 HA TRP 111 HA TRP 111 6.108 6.227 2.176 803 1HB TRP 111 1HB TRP 111 5.342 6.048 -0.121 804 2HB TRP 111 2HB TRP 111 5.265 7.796 -0.270 805 HD1 TRP 111 HD1 TRP 111 7.665 4.887 -0.467 806 HE1 TRP 111 HE1 TRP 111 9.972 5.732 -1.233 807 HE3 TRP 111 HE3 TRP 111 6.849 9.924 -0.121 808 HZ2 TRP 111 HZ2 TRP 111 11.275 8.201 -1.637 809 HZ3 TRP 111 HZ3 TRP 111 8.679 11.458 -0.716 810 HH2 TRP 111 HH2 TRP 111 10.845 10.613 -1.458 811 H ARG 112 H ARG 112 4.752 9.495 1.950 812 HA ARG 112 HA ARG 112 7.338 10.663 2.620 813 1HB ARG 112 1HB ARG 112 4.915 11.547 1.326 814 2HB ARG 112 2HB ARG 112 5.372 12.641 2.622 815 1HG ARG 112 1HG ARG 112 7.709 12.600 1.555 816 2HG ARG 112 2HG ARG 112 6.891 11.925 0.145 817 1HD ARG 112 1HD ARG 112 6.230 13.952 -0.471 818 2HD ARG 112 2HD ARG 112 5.404 14.169 1.072 819 HE ARG 112 HE ARG 112 8.179 14.629 1.366 820 1HH1 ARG 112 1HH1 ARG 112 5.289 16.070 0.057 821 2HH1 ARG 112 2HH1 ARG 112 5.862 17.694 0.239 822 1HH2 ARG 112 1HH2 ARG 112 8.941 16.763 1.609 823 2HH2 ARG 112 2HH2 ARG 112 7.938 18.088 1.120 824 H ASN 113 H ASN 113 6.379 9.035 4.606 825 HA ASN 113 HA ASN 113 6.108 10.925 6.773 826 1HB ASN 113 1HB ASN 113 3.750 10.013 5.750 827 2HB ASN 113 2HB ASN 113 4.062 8.820 7.008 828 2HD2 ASN 113 2HD2 ASN 113 3.850 12.288 6.405 829 1HD2 ASN 113 1HD2 ASN 113 3.307 12.711 7.989 830 H ARG 114 H ARG 114 5.495 7.461 6.263 831 HA ARG 114 HA ARG 114 7.221 6.859 8.541 832 1HB ARG 114 1HB ARG 114 5.019 5.467 7.121 833 2HB ARG 114 2HB ARG 114 6.263 4.463 7.842 834 1HG ARG 114 1HG ARG 114 4.913 6.610 9.429 835 2HG ARG 114 2HG ARG 114 4.168 5.024 9.220 836 1HD ARG 114 1HD ARG 114 5.718 3.973 10.512 837 2HD ARG 114 2HD ARG 114 7.008 5.085 10.060 838 HE ARG 114 HE ARG 114 5.096 5.407 12.226 839 1HH1 ARG 114 1HH1 ARG 114 7.600 6.831 10.265 840 2HH1 ARG 114 2HH1 ARG 114 7.948 8.093 11.399 841 1HH2 ARG 114 1HH2 ARG 114 5.548 7.065 13.724 842 2HH2 ARG 114 2HH2 ARG 114 6.782 8.226 13.365 843 H CYS 115 H CYS 115 7.466 7.105 5.230 844 HA CYS 115 HA CYS 115 9.587 5.068 5.110 845 1HB CYS 115 1HB CYS 115 7.745 4.751 3.506 846 2HB CYS 115 2HB CYS 115 8.070 6.345 2.831 847 H LYS 116 H LYS 116 8.815 8.406 4.163 848 HA LYS 116 HA LYS 116 11.266 9.041 2.997 849 1HB LYS 116 1HB LYS 116 9.004 10.370 3.162 850 2HB LYS 116 2HB LYS 116 9.760 11.087 4.578 851 1HG LYS 116 1HG LYS 116 11.704 11.221 2.592 852 2HG LYS 116 2HG LYS 116 10.192 11.639 1.785 853 1HD LYS 116 1HD LYS 116 9.750 13.284 3.599 854 2HD LYS 116 2HD LYS 116 11.349 12.927 4.255 855 1HE LYS 116 1HE LYS 116 11.545 14.899 2.935 856 2HE LYS 116 2HE LYS 116 12.309 13.585 2.041 857 1HZ LYS 116 1HZ LYS 116 9.997 13.383 0.941 858 2HZ LYS 116 2HZ LYS 116 9.768 14.964 1.492 859 3HZ LYS 116 3HZ LYS 116 11.043 14.614 0.438 860 H GLY 117 H GLY 117 13.011 8.265 4.166 861 1HA GLY 117 1HA GLY 117 13.375 9.358 6.874 862 2HA GLY 117 2HA GLY 117 14.615 9.613 5.658 863 H THR 118 H THR 118 13.402 6.647 4.953 864 HA THR 118 HA THR 118 15.281 5.292 6.772 865 HB THR 118 HB THR 118 13.939 3.254 6.470 866 HG1 THR 118 HG1 THR 118 11.676 4.133 5.518 867 1HG2 THR 118 1HG2 THR 118 12.674 5.742 7.540 868 2HG2 THR 118 2HG2 THR 118 11.755 4.236 7.526 869 3HG2 THR 118 3HG2 THR 118 13.281 4.329 8.405 870 H ASP 119 H ASP 119 14.985 2.797 5.223 871 HA ASP 119 HA ASP 119 16.403 3.517 2.766 872 1HB ASP 119 1HB ASP 119 17.799 2.687 4.804 873 2HB ASP 119 2HB ASP 119 17.252 1.132 4.219 874 H VAL 120 H VAL 120 15.152 2.864 1.148 875 HA VAL 120 HA VAL 120 13.358 0.642 1.390 876 HB VAL 120 HB VAL 120 12.766 1.117 -0.945 877 1HG1 VAL 120 1HG1 VAL 120 12.396 2.794 1.268 878 2HG1 VAL 120 2HG1 VAL 120 12.720 3.860 -0.098 879 3HG1 VAL 120 3HG1 VAL 120 11.401 2.694 -0.184 880 1HG2 VAL 120 1HG2 VAL 120 14.978 1.734 -1.772 881 2HG2 VAL 120 2HG2 VAL 120 13.797 2.994 -2.132 882 3HG2 VAL 120 3HG2 VAL 120 14.939 3.207 -0.804 883 H GLN 121 H GLN 121 16.524 1.240 0.047 884 HA GLN 121 HA GLN 121 16.746 -0.974 -1.657 885 1HB GLN 121 1HB GLN 121 18.826 0.505 -0.038 886 2HB GLN 121 2HB GLN 121 19.226 -0.757 -1.194 887 1HG GLN 121 1HG GLN 121 17.523 1.097 -2.491 888 2HG GLN 121 2HG GLN 121 18.785 2.003 -1.656 889 2HE2 GLN 121 2HE2 GLN 121 21.028 1.028 -1.954 890 1HE2 GLN 121 1HE2 GLN 121 21.438 0.544 -3.561 891 H ALA 122 H ALA 122 16.769 -0.657 1.768 892 HA ALA 122 HA ALA 122 17.821 -3.334 2.210 893 1HB ALA 122 1HB ALA 122 17.802 -0.969 3.712 894 2HB ALA 122 2HB ALA 122 16.758 -2.097 4.577 895 3HB ALA 122 3HB ALA 122 18.421 -2.546 4.201 896 H TRP 123 H TRP 123 14.821 -1.722 1.806 897 HA TRP 123 HA TRP 123 13.157 -3.442 3.333 898 1HB TRP 123 1HB TRP 123 12.737 -1.449 1.164 899 2HB TRP 123 2HB TRP 123 11.451 -2.617 1.445 900 HD1 TRP 123 HD1 TRP 123 11.741 0.702 2.163 901 HE1 TRP 123 HE1 TRP 123 10.873 1.400 4.484 902 HE3 TRP 123 HE3 TRP 123 11.739 -3.844 4.471 903 HZ2 TRP 123 HZ2 TRP 123 10.281 0.153 6.935 904 HZ3 TRP 123 HZ3 TRP 123 11.010 -4.013 6.795 905 HH2 TRP 123 HH2 TRP 123 10.288 -2.033 8.014 906 H ILE 124 H ILE 124 14.810 -3.858 0.372 907 HA ILE 124 HA ILE 124 13.308 -6.345 -0.127 908 HB ILE 124 HB ILE 124 13.947 -6.085 -2.538 909 1HG1 ILE 124 1HG1 ILE 124 14.172 -3.279 -2.677 910 2HG1 ILE 124 2HG1 ILE 124 15.326 -3.798 -1.454 911 1HG2 ILE 124 1HG2 ILE 124 11.894 -4.752 -1.045 912 2HG2 ILE 124 2HG2 ILE 124 12.316 -3.807 -2.472 913 3HG2 ILE 124 3HG2 ILE 124 11.812 -5.488 -2.645 914 1HD1 ILE 124 1HD1 ILE 124 15.334 -5.383 -3.921 915 2HD1 ILE 124 2HD1 ILE 124 15.840 -3.703 -4.097 916 3HD1 ILE 124 3HD1 ILE 124 16.675 -4.762 -2.960 917 H ARG 125 H ARG 125 16.044 -5.307 1.124 918 HA ARG 125 HA ARG 125 18.085 -6.632 -0.310 919 1HB ARG 125 1HB ARG 125 18.318 -4.845 1.511 920 2HB ARG 125 2HB ARG 125 18.115 -6.156 2.665 921 1HG ARG 125 1HG ARG 125 20.074 -7.063 0.916 922 2HG ARG 125 2HG ARG 125 20.449 -5.357 1.172 923 1HD ARG 125 1HD ARG 125 20.009 -7.416 3.333 924 2HD ARG 125 2HD ARG 125 21.571 -6.783 2.815 925 HE ARG 125 HE ARG 125 19.542 -4.947 3.874 926 1HH1 ARG 125 1HH1 ARG 125 22.647 -6.505 4.144 927 2HH1 ARG 125 2HH1 ARG 125 23.205 -5.461 5.408 928 1HH2 ARG 125 1HH2 ARG 125 20.268 -3.568 5.538 929 2HH2 ARG 125 2HH2 ARG 125 21.853 -3.792 6.200 930 H GLY 126 H GLY 126 17.741 -8.740 -0.803 931 1HA GLY 126 1HA GLY 126 17.415 -10.579 1.486 932 2HA GLY 126 2HA GLY 126 18.341 -10.956 0.042 933 H CYS 127 H CYS 127 15.657 -9.318 -0.954 934 HA CYS 127 HA CYS 127 13.620 -11.217 -0.787 935 1HB CYS 127 1HB CYS 127 14.125 -8.810 -2.341 936 2HB CYS 127 2HB CYS 127 12.906 -9.891 -2.983 937 H ARG 128 H ARG 128 12.604 -11.817 -3.163 938 HA ARG 128 HA ARG 128 14.721 -13.232 -4.636 939 1HB ARG 128 1HB ARG 128 12.898 -15.067 -4.927 940 2HB ARG 128 2HB ARG 128 13.837 -15.011 -3.443 941 1HG ARG 128 1HG ARG 128 11.507 -13.369 -3.170 942 2HG ARG 128 2HG ARG 128 11.048 -14.981 -3.723 943 1HD ARG 128 1HD ARG 128 13.007 -14.705 -1.490 944 2HD ARG 128 2HD ARG 128 11.292 -14.457 -1.164 945 HE ARG 128 HE ARG 128 11.942 -16.899 -2.574 946 1HH1 ARG 128 1HH1 ARG 128 11.399 -15.373 0.511 947 2HH1 ARG 128 2HH1 ARG 128 11.023 -16.854 1.323 948 1HH2 ARG 128 1HH2 ARG 128 11.447 -18.855 -1.513 949 2HH2 ARG 128 2HH2 ARG 128 11.050 -18.834 0.173 950 H LEU 129 H LEU 129 14.540 -11.463 -6.140 951 HA LEU 129 HA LEU 129 12.634 -12.020 -8.219 952 1HB LEU 129 1HB LEU 129 11.827 -9.636 -8.313 953 2HB LEU 129 2HB LEU 129 11.194 -10.603 -6.995 954 HG LEU 129 HG LEU 129 13.564 -9.243 -6.119 955 1HD1 LEU 129 1HD1 LEU 129 12.877 -7.693 -7.989 956 2HD1 LEU 129 2HD1 LEU 129 11.404 -7.382 -7.071 957 3HD1 LEU 129 3HD1 LEU 129 12.974 -6.971 -6.382 958 1HD2 LEU 129 1HD2 LEU 129 10.650 -9.183 -5.374 959 2HD2 LEU 129 2HD2 LEU 129 11.967 -10.029 -4.561 960 3HD2 LEU 129 3HD2 LEU 129 11.884 -8.268 -4.507 No H/Q in entry = 960 Start of MODEL 32 1 H1 LYS 1 H1 LYS 1 -7.097 -8.328 0.741 2 H2 LYS 1 H2 LYS 1 -7.955 -9.741 0.378 3 H3 LYS 1 H3 LYS 1 -7.410 -9.464 1.955 4 HA LYS 1 HA LYS 1 -5.755 -10.829 1.345 5 1HB LYS 1 1HB LYS 1 -7.056 -10.842 -0.984 6 2HB LYS 1 2HB LYS 1 -5.645 -9.925 -1.491 7 1HG LYS 1 1HG LYS 1 -4.881 -11.999 -1.959 8 2HG LYS 1 2HG LYS 1 -4.395 -11.926 -0.265 9 1HD LYS 1 1HD LYS 1 -5.510 -13.876 -0.106 10 2HD LYS 1 2HD LYS 1 -6.937 -12.842 -0.034 11 1HE LYS 1 1HE LYS 1 -5.989 -13.493 -2.741 12 2HE LYS 1 2HE LYS 1 -6.597 -14.860 -1.808 13 1HZ LYS 1 1HZ LYS 1 -8.477 -13.001 -1.355 14 2HZ LYS 1 2HZ LYS 1 -8.024 -12.617 -2.939 15 3HZ LYS 1 3HZ LYS 1 -8.572 -14.175 -2.569 16 H VAL 2 H VAL 2 -3.847 -10.202 2.092 17 HA VAL 2 HA VAL 2 -2.731 -7.644 1.151 18 HB VAL 2 HB VAL 2 -2.290 -9.078 3.773 19 1HG1 VAL 2 1HG1 VAL 2 -0.378 -7.641 2.541 20 2HG1 VAL 2 2HG1 VAL 2 -1.244 -6.347 3.367 21 3HG1 VAL 2 3HG1 VAL 2 -0.575 -7.690 4.293 22 1HG2 VAL 2 1HG2 VAL 2 -4.162 -7.080 2.901 23 2HG2 VAL 2 2HG2 VAL 2 -4.054 -7.909 4.454 24 3HG2 VAL 2 3HG2 VAL 2 -3.122 -6.438 4.173 25 H PHE 3 H PHE 3 -0.851 -7.663 0.057 26 HA PHE 3 HA PHE 3 0.470 -10.169 -0.470 27 1HB PHE 3 1HB PHE 3 1.253 -7.347 -1.243 28 2HB PHE 3 2HB PHE 3 2.004 -8.813 -1.853 29 HD1 PHE 3 HD1 PHE 3 -1.186 -9.875 -1.736 30 HD2 PHE 3 HD2 PHE 3 1.151 -6.954 -3.764 31 HE1 PHE 3 HE1 PHE 3 -2.780 -9.898 -3.607 32 HE2 PHE 3 HE2 PHE 3 -0.436 -6.971 -5.634 33 HZ PHE 3 HZ PHE 3 -2.406 -8.446 -5.563 34 H GLY 4 H GLY 4 3.043 -9.900 -0.481 35 1HA GLY 4 1HA GLY 4 4.600 -10.406 1.277 36 2HA GLY 4 2HA GLY 4 3.756 -9.247 2.297 37 H ARG 5 H ARG 5 6.621 -9.424 1.543 38 HA ARG 5 HA ARG 5 6.903 -6.644 0.719 39 1HB ARG 5 1HB ARG 5 8.914 -8.623 1.801 40 2HB ARG 5 2HB ARG 5 9.292 -6.959 1.376 41 1HG ARG 5 1HG ARG 5 7.089 -6.816 3.092 42 2HG ARG 5 2HG ARG 5 8.174 -8.014 3.797 43 1HD ARG 5 1HD ARG 5 9.236 -5.394 2.815 44 2HD ARG 5 2HD ARG 5 8.474 -5.509 4.401 45 HE ARG 5 HE ARG 5 11.048 -6.546 3.626 46 1HH1 ARG 5 1HH1 ARG 5 8.414 -6.775 5.896 47 2HH1 ARG 5 2HH1 ARG 5 9.383 -7.483 7.145 48 1HH2 ARG 5 1HH2 ARG 5 12.330 -7.479 5.264 49 2HH2 ARG 5 2HH2 ARG 5 11.609 -7.883 6.786 50 H CYS 6 H CYS 6 8.473 -9.736 -0.151 51 HA CYS 6 HA CYS 6 9.430 -8.558 -2.597 52 1HB CYS 6 1HB CYS 6 9.540 -11.495 -2.052 53 2HB CYS 6 2HB CYS 6 10.674 -10.463 -2.918 54 H GLU 7 H GLU 7 6.906 -10.860 -1.667 55 HA GLU 7 HA GLU 7 6.164 -11.893 -4.091 56 1HB GLU 7 1HB GLU 7 4.898 -11.497 -1.557 57 2HB GLU 7 2HB GLU 7 3.753 -11.057 -2.817 58 1HG GLU 7 1HG GLU 7 4.194 -13.260 -3.891 59 2HG GLU 7 2HG GLU 7 5.171 -13.688 -2.486 60 H LEU 8 H LEU 8 5.075 -8.813 -2.719 61 HA LEU 8 HA LEU 8 3.749 -7.956 -5.071 62 1HB LEU 8 1HB LEU 8 3.076 -6.899 -3.070 63 2HB LEU 8 2HB LEU 8 4.727 -6.506 -2.626 64 HG LEU 8 HG LEU 8 4.746 -4.983 -4.687 65 1HD1 LEU 8 1HD1 LEU 8 2.667 -6.005 -5.647 66 2HD1 LEU 8 2HD1 LEU 8 1.760 -5.172 -4.384 67 3HD1 LEU 8 3HD1 LEU 8 2.675 -4.243 -5.571 68 1HD2 LEU 8 1HD2 LEU 8 4.058 -4.545 -2.050 69 2HD2 LEU 8 2HD2 LEU 8 4.457 -3.313 -3.247 70 3HD2 LEU 8 3HD2 LEU 8 2.773 -3.749 -2.959 71 H ALA 9 H ALA 9 7.069 -7.574 -3.841 72 HA ALA 9 HA ALA 9 7.899 -5.599 -5.658 73 1HB ALA 9 1HB ALA 9 9.256 -6.112 -3.764 74 2HB ALA 9 2HB ALA 9 10.189 -6.439 -5.224 75 3HB ALA 9 3HB ALA 9 9.480 -7.773 -4.312 76 H ALA 10 H ALA 10 8.257 -9.153 -5.891 77 HA ALA 10 HA ALA 10 9.446 -9.293 -8.371 78 1HB ALA 10 1HB ALA 10 7.759 -11.443 -8.431 79 2HB ALA 10 2HB ALA 10 9.322 -11.408 -7.613 80 3HB ALA 10 3HB ALA 10 7.844 -11.095 -6.703 81 H ALA 11 H ALA 11 6.059 -8.871 -7.489 82 HA ALA 11 HA ALA 11 5.020 -9.029 -10.098 83 1HB ALA 11 1HB ALA 11 3.966 -7.741 -7.608 84 2HB ALA 11 2HB ALA 11 3.486 -9.284 -8.315 85 3HB ALA 11 3HB ALA 11 3.063 -7.774 -9.123 86 H MET 12 H MET 12 6.279 -6.463 -8.209 87 HA MET 12 HA MET 12 5.591 -4.265 -9.816 88 1HB MET 12 1HB MET 12 8.203 -4.448 -8.339 89 2HB MET 12 2HB MET 12 7.252 -3.020 -8.663 90 1HG MET 12 1HG MET 12 6.596 -5.221 -6.739 91 2HG MET 12 2HG MET 12 7.070 -3.569 -6.352 92 1HE MET 12 1HE MET 12 5.888 -1.803 -8.047 93 2HE MET 12 2HE MET 12 4.135 -1.616 -8.026 94 3HE MET 12 3HE MET 12 5.063 -1.387 -6.545 95 H LYS 13 H LYS 13 8.560 -6.213 -9.768 96 HA LYS 13 HA LYS 13 9.962 -4.972 -11.797 97 1HB LYS 13 1HB LYS 13 10.730 -6.870 -10.287 98 2HB LYS 13 2HB LYS 13 9.912 -7.963 -11.397 99 1HG LYS 13 1HG LYS 13 11.413 -6.571 -13.140 100 2HG LYS 13 2HG LYS 13 12.439 -6.486 -11.706 101 1HD LYS 13 1HD LYS 13 13.192 -8.456 -12.572 102 2HD LYS 13 2HD LYS 13 11.854 -9.073 -11.600 103 1HE LYS 13 1HE LYS 13 10.542 -8.539 -13.876 104 2HE LYS 13 2HE LYS 13 12.142 -8.874 -14.536 105 1HZ LYS 13 1HZ LYS 13 10.837 -10.713 -12.625 106 2HZ LYS 13 2HZ LYS 13 10.553 -10.817 -14.290 107 3HZ LYS 13 3HZ LYS 13 12.118 -11.031 -13.685 108 H ARG 14 H ARG 14 7.603 -7.608 -12.042 109 HA ARG 14 HA ARG 14 7.733 -7.886 -14.839 110 1HB ARG 14 1HB ARG 14 5.553 -8.541 -12.855 111 2HB ARG 14 2HB ARG 14 5.450 -8.947 -14.562 112 1HG ARG 14 1HG ARG 14 7.813 -10.049 -14.035 113 2HG ARG 14 2HG ARG 14 7.107 -10.140 -12.421 114 1HD ARG 14 1HD ARG 14 5.952 -11.930 -13.041 115 2HD ARG 14 2HD ARG 14 5.118 -10.958 -14.253 116 HE ARG 14 HE ARG 14 6.429 -11.909 -15.876 117 1HH1 ARG 14 1HH1 ARG 14 7.793 -12.599 -12.745 118 2HH1 ARG 14 2HH1 ARG 14 8.959 -13.723 -13.358 119 1HH2 ARG 14 1HH2 ARG 14 7.960 -13.388 -16.692 120 2HH2 ARG 14 2HH2 ARG 14 9.054 -14.171 -15.603 121 H HIS 15 H HIS 15 5.719 -5.887 -12.715 122 HA HIS 15 HA HIS 15 4.130 -4.856 -14.836 123 1HB HIS 15 1HB HIS 15 4.439 -4.324 -11.918 124 2HB HIS 15 2HB HIS 15 3.620 -3.119 -12.907 125 HD1 HIS 15 HD1 HIS 15 2.342 -5.026 -10.652 126 HD2 HIS 15 HD2 HIS 15 2.003 -5.438 -14.773 127 HE1 HIS 15 HE1 HIS 15 0.241 -6.354 -11.024 128 HE2 HIS 15 HE2 HIS 15 0.011 -6.519 -13.527 129 H GLY 16 H GLY 16 7.347 -4.236 -14.086 130 1HA GLY 16 1HA GLY 16 7.350 -1.977 -15.798 131 2HA GLY 16 2HA GLY 16 8.734 -2.705 -15.014 132 H LEU 17 H LEU 17 7.330 -2.226 -12.266 133 HA LEU 17 HA LEU 17 7.420 0.670 -12.240 134 1HB LEU 17 1HB LEU 17 7.105 -1.012 -9.790 135 2HB LEU 17 2HB LEU 17 6.533 0.616 -10.078 136 HG LEU 17 HG LEU 17 5.276 -1.974 -10.696 137 1HD1 LEU 17 1HD1 LEU 17 4.689 0.140 -9.114 138 2HD1 LEU 17 2HD1 LEU 17 3.726 0.521 -10.542 139 3HD1 LEU 17 3HD1 LEU 17 3.497 -1.016 -9.706 140 1HD2 LEU 17 1HD2 LEU 17 5.252 0.316 -12.640 141 2HD2 LEU 17 2HD2 LEU 17 5.436 -1.409 -12.958 142 3HD2 LEU 17 3HD2 LEU 17 3.866 -0.763 -12.485 143 H ASP 18 H ASP 18 9.607 -1.736 -12.021 144 HA ASP 18 HA ASP 18 11.283 -0.706 -9.954 145 1HB ASP 18 1HB ASP 18 11.775 -2.915 -10.277 146 2HB ASP 18 2HB ASP 18 11.533 -2.834 -12.012 147 H ASN 19 H ASN 19 11.761 1.366 -10.230 148 HA ASN 19 HA ASN 19 12.856 3.220 -10.919 149 1HB ASN 19 1HB ASN 19 14.608 1.158 -11.439 150 2HB ASN 19 2HB ASN 19 14.497 1.959 -13.003 151 2HD2 ASN 19 2HD2 ASN 19 16.319 3.074 -13.168 152 1HD2 ASN 19 1HD2 ASN 19 16.907 4.211 -12.008 153 H TYR 20 H TYR 20 10.452 2.483 -12.134 154 HA TYR 20 HA TYR 20 10.548 2.947 -14.949 155 1HB TYR 20 1HB TYR 20 8.601 1.888 -13.790 156 2HB TYR 20 2HB TYR 20 8.254 3.431 -13.019 157 HD1 TYR 20 HD1 TYR 20 8.672 1.926 -16.412 158 HD2 TYR 20 HD2 TYR 20 6.745 4.871 -14.023 159 HE1 TYR 20 HE1 TYR 20 7.276 2.564 -18.333 160 HE2 TYR 20 HE2 TYR 20 5.343 5.518 -15.936 161 HH TYR 20 HH TYR 20 4.889 3.697 -18.580 162 H ARG 21 H ARG 21 9.491 5.013 -15.886 163 HA ARG 21 HA ARG 21 10.900 7.191 -15.737 164 1HB ARG 21 1HB ARG 21 7.937 6.924 -15.918 165 2HB ARG 21 2HB ARG 21 8.610 8.541 -15.762 166 1HG ARG 21 1HG ARG 21 9.839 6.800 -17.803 167 2HG ARG 21 2HG ARG 21 8.189 7.343 -18.113 168 1HD ARG 21 1HD ARG 21 8.798 9.531 -18.308 169 2HD ARG 21 2HD ARG 21 10.150 9.367 -17.188 170 HE ARG 21 HE ARG 21 11.504 8.677 -18.946 171 1HH1 ARG 21 1HH1 ARG 21 8.207 9.086 -19.996 172 2HH1 ARG 21 2HH1 ARG 21 8.602 9.037 -21.682 173 1HH2 ARG 21 1HH2 ARG 21 12.034 8.612 -21.163 174 2HH2 ARG 21 2HH2 ARG 21 10.777 8.767 -22.345 175 H GLY 22 H GLY 22 8.631 6.256 -13.243 176 1HA GLY 22 1HA GLY 22 8.130 7.199 -11.193 177 2HA GLY 22 2HA GLY 22 9.090 8.601 -11.632 178 H TYR 23 H TYR 23 9.044 5.566 -9.983 179 HA TYR 23 HA TYR 23 11.868 5.950 -9.272 180 1HB TYR 23 1HB TYR 23 9.532 5.553 -7.429 181 2HB TYR 23 2HB TYR 23 11.187 5.252 -6.915 182 HD1 TYR 23 HD1 TYR 23 9.002 7.889 -8.377 183 HD2 TYR 23 HD2 TYR 23 12.489 7.018 -6.101 184 HE1 TYR 23 HE1 TYR 23 9.256 10.279 -7.867 185 HE2 TYR 23 HE2 TYR 23 12.753 9.407 -5.583 186 HH TYR 23 HH TYR 23 10.301 11.741 -6.366 187 H SER 24 H SER 24 12.557 4.107 -7.695 188 HA SER 24 HA SER 24 12.404 1.695 -9.270 189 1HB SER 24 1HB SER 24 14.300 0.944 -8.004 190 2HB SER 24 2HB SER 24 14.569 2.631 -8.438 191 HG SER 24 HG SER 24 15.052 2.472 -6.298 192 H LEU 25 H LEU 25 12.416 -0.399 -8.125 193 HA LEU 25 HA LEU 25 10.047 -1.118 -7.092 194 1HB LEU 25 1HB LEU 25 12.745 -2.218 -7.109 195 2HB LEU 25 2HB LEU 25 11.776 -2.815 -5.775 196 HG LEU 25 HG LEU 25 10.552 -2.846 -8.473 197 1HD1 LEU 25 1HD1 LEU 25 13.068 -3.764 -8.357 198 2HD1 LEU 25 2HD1 LEU 25 12.205 -5.195 -7.792 199 3HD1 LEU 25 3HD1 LEU 25 11.816 -4.493 -9.363 200 1HD2 LEU 25 1HD2 LEU 25 10.555 -4.747 -6.131 201 2HD2 LEU 25 2HD2 LEU 25 9.298 -3.572 -6.516 202 3HD2 LEU 25 3HD2 LEU 25 9.599 -4.930 -7.601 203 H GLY 26 H GLY 26 12.900 -0.536 -5.010 204 1HA GLY 26 1HA GLY 26 13.029 0.361 -2.889 205 2HA GLY 26 2HA GLY 26 11.861 -0.901 -2.544 206 H ASN 27 H ASN 27 11.306 1.969 -4.527 207 HA ASN 27 HA ASN 27 10.024 3.459 -2.472 208 1HB ASN 27 1HB ASN 27 9.775 3.769 -5.468 209 2HB ASN 27 2HB ASN 27 9.311 4.965 -4.261 210 2HD2 ASN 27 2HD2 ASN 27 12.044 3.165 -5.558 211 1HD2 ASN 27 1HD2 ASN 27 13.241 4.349 -5.170 212 H TRP 28 H TRP 28 8.884 1.209 -4.905 213 HA TRP 28 HA TRP 28 6.107 1.743 -4.543 214 1HB TRP 28 1HB TRP 28 7.518 -0.637 -5.745 215 2HB TRP 28 2HB TRP 28 5.782 -0.328 -5.845 216 HD1 TRP 28 HD1 TRP 28 9.044 0.599 -7.426 217 HE1 TRP 28 HE1 TRP 28 8.654 2.311 -9.298 218 HE3 TRP 28 HE3 TRP 28 4.138 1.653 -6.523 219 HZ2 TRP 28 HZ2 TRP 28 6.525 3.888 -10.293 220 HZ3 TRP 28 HZ3 TRP 28 2.974 3.259 -7.974 221 HH2 TRP 28 HH2 TRP 28 4.149 4.359 -9.828 222 H VAL 29 H VAL 29 8.311 -0.750 -3.266 223 HA VAL 29 HA VAL 29 6.317 -2.177 -1.881 224 HB VAL 29 HB VAL 29 9.280 -1.990 -1.322 225 1HG1 VAL 29 1HG1 VAL 29 7.342 -3.103 0.283 226 2HG1 VAL 29 2HG1 VAL 29 7.941 -4.480 -0.641 227 3HG1 VAL 29 3HG1 VAL 29 9.060 -3.497 0.304 228 1HG2 VAL 29 1HG2 VAL 29 8.190 -2.864 -3.615 229 2HG2 VAL 29 2HG2 VAL 29 9.672 -3.529 -2.929 230 3HG2 VAL 29 3HG2 VAL 29 8.134 -4.351 -2.669 231 H CYS 30 H CYS 30 8.660 0.257 -0.833 232 HA CYS 30 HA CYS 30 7.928 0.355 1.853 233 1HB CYS 30 1HB CYS 30 9.956 1.386 0.721 234 2HB CYS 30 2HB CYS 30 8.900 2.710 0.242 235 H ALA 31 H ALA 31 6.761 2.309 -0.896 236 HA ALA 31 HA ALA 31 5.037 3.959 0.575 237 1HB ALA 31 1HB ALA 31 4.557 3.129 -2.272 238 2HB ALA 31 2HB ALA 31 5.839 4.250 -1.817 239 3HB ALA 31 3HB ALA 31 4.156 4.658 -1.489 240 H ALA 32 H ALA 32 4.414 0.913 -1.142 241 HA ALA 32 HA ALA 32 1.641 0.843 -0.576 242 1HB ALA 32 1HB ALA 32 2.615 -0.417 -2.415 243 2HB ALA 32 2HB ALA 32 1.748 -1.486 -1.312 244 3HB ALA 32 3HB ALA 32 3.510 -1.418 -1.271 245 H LYS 33 H LYS 33 4.433 -0.721 0.985 246 HA LYS 33 HA LYS 33 3.211 -2.327 2.806 247 1HB LYS 33 1HB LYS 33 5.660 -2.121 2.461 248 2HB LYS 33 2HB LYS 33 5.629 -0.604 3.346 249 1HG LYS 33 1HG LYS 33 5.175 -1.649 5.373 250 2HG LYS 33 2HG LYS 33 4.611 -3.127 4.591 251 1HD LYS 33 1HD LYS 33 6.793 -3.797 4.038 252 2HD LYS 33 2HD LYS 33 7.452 -2.186 4.333 253 1HE LYS 33 1HE LYS 33 8.110 -3.521 6.171 254 2HE LYS 33 2HE LYS 33 6.800 -2.492 6.749 255 1HZ LYS 33 1HZ LYS 33 5.711 -4.875 5.737 256 2HZ LYS 33 2HZ LYS 33 6.948 -5.272 6.819 257 3HZ LYS 33 3HZ LYS 33 5.668 -4.287 7.322 258 H PHE 34 H PHE 34 4.182 1.044 3.451 259 HA PHE 34 HA PHE 34 2.746 1.055 5.904 260 1HB PHE 34 1HB PHE 34 4.417 2.935 4.456 261 2HB PHE 34 2HB PHE 34 3.264 3.650 5.565 262 HD1 PHE 34 HD1 PHE 34 3.252 2.614 7.963 263 HD2 PHE 34 HD2 PHE 34 6.485 2.274 5.217 264 HE1 PHE 34 HE1 PHE 34 4.783 2.148 9.831 265 HE2 PHE 34 HE2 PHE 34 8.022 1.806 7.080 266 HZ PHE 34 HZ PHE 34 7.173 1.744 9.391 267 H GLU 35 H GLU 35 1.909 1.863 2.663 268 HA GLU 35 HA GLU 35 -0.130 3.708 3.150 269 1HB GLU 35 1HB GLU 35 0.949 2.249 0.954 270 2HB GLU 35 2HB GLU 35 -0.800 2.071 0.919 271 1HG GLU 35 1HG GLU 35 -1.158 4.333 0.618 272 2HG GLU 35 2HG GLU 35 0.416 4.774 1.280 273 H SER 36 H SER 36 -0.395 0.221 2.512 274 HA SER 36 HA SER 36 -2.931 0.202 4.029 275 1HB SER 36 1HB SER 36 -3.715 -1.495 2.291 276 2HB SER 36 2HB SER 36 -3.575 0.170 1.730 277 HG SER 36 HG SER 36 -2.231 -2.050 0.927 278 H ASN 37 H ASN 37 0.010 -0.802 4.392 279 HA ASN 37 HA ASN 37 1.041 -2.587 5.391 280 1HB ASN 37 1HB ASN 37 -1.102 -2.256 6.879 281 2HB ASN 37 2HB ASN 37 -1.629 -3.753 6.117 282 2HD2 ASN 37 2HD2 ASN 37 -1.084 -5.556 7.098 283 1HD2 ASN 37 1HD2 ASN 37 0.215 -5.752 8.219 284 H PHE 38 H PHE 38 0.156 -2.623 2.661 285 HA PHE 38 HA PHE 38 0.338 -3.891 0.858 286 1HB PHE 38 1HB PHE 38 1.040 -5.981 2.899 287 2HB PHE 38 2HB PHE 38 0.907 -6.369 1.186 288 HD1 PHE 38 HD1 PHE 38 2.010 -4.003 -0.092 289 HD2 PHE 38 HD2 PHE 38 3.307 -6.065 3.394 290 HE1 PHE 38 HE1 PHE 38 4.290 -3.173 -0.464 291 HE2 PHE 38 HE2 PHE 38 5.594 -5.234 3.032 292 HZ PHE 38 HZ PHE 38 6.092 -3.795 1.098 293 H ASN 39 H ASN 39 -2.196 -3.489 2.379 294 HA ASN 39 HA ASN 39 -3.750 -5.840 1.657 295 1HB ASN 39 1HB ASN 39 -4.082 -4.187 3.709 296 2HB ASN 39 2HB ASN 39 -5.041 -3.293 2.533 297 2HD2 ASN 39 2HD2 ASN 39 -5.759 -4.809 4.988 298 1HD2 ASN 39 1HD2 ASN 39 -6.980 -5.922 4.485 299 H THR 40 H THR 40 -4.146 -6.073 -0.430 300 HA THR 40 HA THR 40 -4.417 -3.755 -2.159 301 HB THR 40 HB THR 40 -3.913 -5.136 -3.916 302 HG1 THR 40 HG1 THR 40 -5.613 -6.559 -3.880 303 1HG2 THR 40 1HG2 THR 40 -2.432 -5.578 -1.640 304 2HG2 THR 40 2HG2 THR 40 -2.805 -7.209 -2.200 305 3HG2 THR 40 3HG2 THR 40 -1.988 -6.073 -3.273 306 H GLN 41 H GLN 41 -6.402 -6.146 -0.658 307 HA GLN 41 HA GLN 41 -8.655 -5.580 -2.415 308 1HB GLN 41 1HB GLN 41 -7.943 -7.686 -0.456 309 2HB GLN 41 2HB GLN 41 -9.646 -7.318 -0.635 310 1HG GLN 41 1HG GLN 41 -9.320 -7.641 -3.122 311 2HG GLN 41 2HG GLN 41 -7.737 -8.305 -2.724 312 2HE2 GLN 41 2HE2 GLN 41 -7.992 -10.397 -3.212 313 1HE2 GLN 41 1HE2 GLN 41 -9.179 -11.437 -2.512 314 H ALA 42 H ALA 42 -7.360 -4.126 0.215 315 HA ALA 42 HA ALA 42 -9.872 -3.632 1.603 316 1HB ALA 42 1HB ALA 42 -8.306 -2.210 3.081 317 2HB ALA 42 2HB ALA 42 -7.009 -3.029 2.211 318 3HB ALA 42 3HB ALA 42 -8.177 -3.968 3.140 319 H THR 43 H THR 43 -10.215 -1.369 2.374 320 HA THR 43 HA THR 43 -9.658 0.648 0.298 321 HB THR 43 HB THR 43 -11.899 1.441 0.293 322 HG1 THR 43 HG1 THR 43 -13.356 0.946 1.823 323 1HG2 THR 43 1HG2 THR 43 -11.298 -0.964 -0.731 324 2HG2 THR 43 2HG2 THR 43 -12.593 -1.436 0.369 325 3HG2 THR 43 3HG2 THR 43 -12.894 -0.231 -0.882 326 H ASN 44 H ASN 44 -9.517 2.815 1.128 327 HA ASN 44 HA ASN 44 -9.535 2.998 4.070 328 1HB ASN 44 1HB ASN 44 -7.221 2.870 3.104 329 2HB ASN 44 2HB ASN 44 -7.545 4.386 2.268 330 2HD2 ASN 44 2HD2 ASN 44 -7.945 3.060 5.540 331 1HD2 ASN 44 1HD2 ASN 44 -7.288 4.433 6.358 332 H ARG 45 H ARG 45 -11.462 4.063 4.275 333 HA ARG 45 HA ARG 45 -12.236 6.252 2.635 334 1HB ARG 45 1HB ARG 45 -13.359 4.721 4.799 335 2HB ARG 45 2HB ARG 45 -13.603 6.437 5.093 336 1HG ARG 45 1HG ARG 45 -15.059 6.663 3.389 337 2HG ARG 45 2HG ARG 45 -14.213 5.499 2.368 338 1HD ARG 45 1HD ARG 45 -15.346 3.712 3.226 339 2HD ARG 45 2HD ARG 45 -15.585 4.479 4.796 340 HE ARG 45 HE ARG 45 -17.073 5.442 2.455 341 1HH1 ARG 45 1HH1 ARG 45 -17.014 3.968 5.612 342 2HH1 ARG 45 2HH1 ARG 45 -18.724 4.112 5.852 343 1HH2 ARG 45 1HH2 ARG 45 -19.323 5.637 2.764 344 2HH2 ARG 45 2HH2 ARG 45 -20.037 5.060 4.233 345 H ASN 46 H ASN 46 -11.627 8.301 2.726 346 HA ASN 46 HA ASN 46 -10.118 9.222 5.070 347 1HB ASN 46 1HB ASN 46 -10.269 10.708 2.466 348 2HB ASN 46 2HB ASN 46 -9.001 10.741 3.686 349 2HD2 ASN 46 2HD2 ASN 46 -9.572 9.821 0.673 350 1HD2 ASN 46 1HD2 ASN 46 -8.538 8.443 0.548 351 H THR 47 H THR 47 -10.316 11.738 5.296 352 HA THR 47 HA THR 47 -13.084 12.239 5.957 353 HB THR 47 HB THR 47 -12.214 14.375 6.917 354 HG1 THR 47 HG1 THR 47 -10.365 14.499 5.468 355 1HG2 THR 47 1HG2 THR 47 -12.200 11.979 8.026 356 2HG2 THR 47 2HG2 THR 47 -10.453 12.216 7.974 357 3HG2 THR 47 3HG2 THR 47 -11.474 13.364 8.841 358 H ASP 48 H ASP 48 -10.910 13.046 3.415 359 HA ASP 48 HA ASP 48 -12.198 15.446 2.559 360 1HB ASP 48 1HB ASP 48 -10.908 15.020 0.425 361 2HB ASP 48 2HB ASP 48 -9.938 15.151 1.888 362 H GLY 49 H GLY 49 -13.206 12.289 2.535 363 1HA GLY 49 1HA GLY 49 -15.151 12.879 0.405 364 2HA GLY 49 2HA GLY 49 -15.415 11.768 1.739 365 H SER 50 H SER 50 -12.460 11.835 -0.141 366 HA SER 50 HA SER 50 -13.263 9.679 -1.867 367 1HB SER 50 1HB SER 50 -10.614 9.729 -2.240 368 2HB SER 50 2HB SER 50 -11.690 10.911 -2.983 369 HG SER 50 HG SER 50 -10.008 11.197 -0.742 370 H THR 51 H THR 51 -11.693 7.754 -2.037 371 HA THR 51 HA THR 51 -10.866 6.781 0.599 372 HB THR 51 HB THR 51 -12.713 5.253 -1.241 373 HG1 THR 51 HG1 THR 51 -13.087 6.771 1.071 374 1HG2 THR 51 1HG2 THR 51 -10.881 4.344 0.771 375 2HG2 THR 51 2HG2 THR 51 -12.539 4.029 1.285 376 3HG2 THR 51 3HG2 THR 51 -11.959 3.402 -0.258 377 H ASP 52 H ASP 52 -9.390 4.997 0.529 378 HA ASP 52 HA ASP 52 -7.846 4.893 -1.961 379 1HB ASP 52 1HB ASP 52 -7.094 3.962 0.817 380 2HB ASP 52 2HB ASP 52 -6.028 4.023 -0.581 381 H TYR 53 H TYR 53 -8.855 3.445 -3.212 382 HA TYR 53 HA TYR 53 -9.581 0.888 -2.070 383 1HB TYR 53 1HB TYR 53 -9.923 1.893 -4.895 384 2HB TYR 53 2HB TYR 53 -10.560 0.387 -4.240 385 HD1 TYR 53 HD1 TYR 53 -10.844 4.060 -4.103 386 HD2 TYR 53 HD2 TYR 53 -12.544 0.342 -2.929 387 HE1 TYR 53 HE1 TYR 53 -12.890 5.225 -3.398 388 HE2 TYR 53 HE2 TYR 53 -14.595 1.497 -2.219 389 HH TYR 53 HH TYR 53 -15.273 3.772 -1.499 390 H GLY 54 H GLY 54 -7.593 0.121 -1.584 391 1HA GLY 54 1HA GLY 54 -5.883 -0.617 -3.886 392 2HA GLY 54 2HA GLY 54 -6.502 -1.889 -2.859 393 H ILE 55 H ILE 55 -4.018 -2.004 -3.242 394 HA ILE 55 HA ILE 55 -2.816 -1.579 -0.662 395 HB ILE 55 HB ILE 55 -2.458 -3.639 -2.072 396 1HG1 ILE 55 1HG1 ILE 55 0.039 -2.080 -1.358 397 2HG1 ILE 55 2HG1 ILE 55 -0.913 -3.057 -0.245 398 1HG2 ILE 55 1HG2 ILE 55 -1.769 -1.699 -4.015 399 2HG2 ILE 55 2HG2 ILE 55 -0.332 -2.671 -3.694 400 3HG2 ILE 55 3HG2 ILE 55 -1.834 -3.453 -4.190 401 1HD1 ILE 55 1HD1 ILE 55 -0.067 -4.533 -2.600 402 2HD1 ILE 55 2HD1 ILE 55 1.280 -3.893 -1.659 403 3HD1 ILE 55 3HD1 ILE 55 0.084 -4.936 -0.890 404 H LEU 56 H LEU 56 -2.914 0.031 -3.694 405 HA LEU 56 HA LEU 56 -0.648 1.742 -2.925 406 1HB LEU 56 1HB LEU 56 -1.246 0.497 -5.392 407 2HB LEU 56 2HB LEU 56 -1.558 2.207 -5.620 408 HG LEU 56 HG LEU 56 0.671 1.988 -6.283 409 1HD1 LEU 56 1HD1 LEU 56 0.145 3.550 -4.166 410 2HD1 LEU 56 2HD1 LEU 56 1.401 2.523 -3.474 411 3HD1 LEU 56 3HD1 LEU 56 1.729 3.453 -4.937 412 1HD2 LEU 56 1HD2 LEU 56 0.672 -0.393 -5.112 413 2HD2 LEU 56 2HD2 LEU 56 2.165 0.437 -5.550 414 3HD2 LEU 56 3HD2 LEU 56 1.581 0.491 -3.886 415 H GLN 57 H GLN 57 -3.766 1.608 -2.453 416 HA GLN 57 HA GLN 57 -5.405 3.092 -1.989 417 1HB GLN 57 1HB GLN 57 -3.220 5.158 -2.309 418 2HB GLN 57 2HB GLN 57 -4.778 5.415 -1.536 419 1HG GLN 57 1HG GLN 57 -4.061 3.490 0.026 420 2HG GLN 57 2HG GLN 57 -2.439 3.824 -0.579 421 2HE2 GLN 57 2HE2 GLN 57 -2.272 6.457 -0.748 422 1HE2 GLN 57 1HE2 GLN 57 -2.529 7.214 0.784 423 H ILE 58 H ILE 58 -6.160 2.362 -4.243 424 HA ILE 58 HA ILE 58 -5.857 4.409 -6.278 425 HB ILE 58 HB ILE 58 -7.339 1.774 -6.290 426 1HG1 ILE 58 1HG1 ILE 58 -5.549 1.205 -7.982 427 2HG1 ILE 58 2HG1 ILE 58 -4.742 2.702 -7.529 428 1HG2 ILE 58 1HG2 ILE 58 -6.992 3.812 -8.484 429 2HG2 ILE 58 2HG2 ILE 58 -7.557 2.161 -8.740 430 3HG2 ILE 58 3HG2 ILE 58 -8.504 3.275 -7.754 431 1HD1 ILE 58 1HD1 ILE 58 -5.368 0.459 -5.626 432 2HD1 ILE 58 2HD1 ILE 58 -3.816 0.702 -6.426 433 3HD1 ILE 58 3HD1 ILE 58 -4.420 1.906 -5.289 434 H ASN 59 H ASN 59 -6.952 6.179 -5.475 435 HA ASN 59 HA ASN 59 -9.472 6.101 -4.262 436 1HB ASN 59 1HB ASN 59 -7.938 8.041 -4.151 437 2HB ASN 59 2HB ASN 59 -8.227 8.354 -5.859 438 2HD2 ASN 59 2HD2 ASN 59 -8.890 10.461 -5.068 439 1HD2 ASN 59 1HD2 ASN 59 -10.512 10.678 -4.513 440 H SER 60 H SER 60 -11.069 5.012 -5.297 441 HA SER 60 HA SER 60 -11.464 4.973 -8.083 442 1HB SER 60 1HB SER 60 -13.297 3.642 -7.657 443 2HB SER 60 2HB SER 60 -12.422 3.450 -6.138 444 HG SER 60 HG SER 60 -13.759 5.321 -5.430 445 H ARG 61 H ARG 61 -11.907 7.488 -5.933 446 HA ARG 61 HA ARG 61 -14.213 8.649 -7.265 447 1HB ARG 61 1HB ARG 61 -13.485 8.838 -4.730 448 2HB ARG 61 2HB ARG 61 -12.520 10.177 -5.335 449 1HG ARG 61 1HG ARG 61 -14.817 10.866 -6.443 450 2HG ARG 61 2HG ARG 61 -15.465 9.905 -5.112 451 1HD ARG 61 1HD ARG 61 -14.470 11.289 -3.490 452 2HD ARG 61 2HD ARG 61 -13.410 12.052 -4.674 453 HE ARG 61 HE ARG 61 -15.417 13.137 -5.585 454 1HH1 ARG 61 1HH1 ARG 61 -15.556 11.823 -2.360 455 2HH1 ARG 61 2HH1 ARG 61 -16.845 12.863 -1.854 456 1HH2 ARG 61 1HH2 ARG 61 -17.113 14.510 -4.927 457 2HH2 ARG 61 2HH2 ARG 61 -17.730 14.390 -3.312 458 H TRP 62 H TRP 62 -10.781 9.439 -6.796 459 HA TRP 62 HA TRP 62 -10.906 11.497 -8.839 460 1HB TRP 62 1HB TRP 62 -9.299 11.055 -6.583 461 2HB TRP 62 2HB TRP 62 -8.227 10.842 -7.962 462 HD1 TRP 62 HD1 TRP 62 -8.573 13.021 -9.863 463 HE1 TRP 62 HE1 TRP 62 -8.543 15.527 -9.280 464 HE3 TRP 62 HE3 TRP 62 -9.651 12.708 -4.875 465 HZ2 TRP 62 HZ2 TRP 62 -8.926 17.157 -7.007 466 HZ3 TRP 62 HZ3 TRP 62 -9.800 14.788 -3.568 467 HH2 TRP 62 HH2 TRP 62 -9.444 16.966 -4.613 468 H TRP 63 H TRP 63 -10.463 8.187 -8.738 469 HA TRP 63 HA TRP 63 -9.364 8.190 -11.453 470 1HB TRP 63 1HB TRP 63 -8.402 6.247 -9.339 471 2HB TRP 63 2HB TRP 63 -7.824 6.394 -10.993 472 HD1 TRP 63 HD1 TRP 63 -6.797 7.285 -7.630 473 HE1 TRP 63 HE1 TRP 63 -5.046 9.176 -7.663 474 HE3 TRP 63 HE3 TRP 63 -7.428 8.860 -12.425 475 HZ2 TRP 63 HZ2 TRP 63 -4.064 11.094 -9.506 476 HZ3 TRP 63 HZ3 TRP 63 -6.085 10.721 -13.257 477 HH2 TRP 63 HH2 TRP 63 -4.419 11.822 -11.832 478 H CYS 64 H CYS 64 -9.799 6.231 -12.617 479 HA CYS 64 HA CYS 64 -11.282 4.751 -13.467 480 1HB CYS 64 1HB CYS 64 -11.337 2.738 -12.310 481 2HB CYS 64 2HB CYS 64 -9.939 3.536 -11.603 482 H ASN 65 H ASN 65 -13.395 3.928 -13.619 483 HA ASN 65 HA ASN 65 -15.352 5.641 -12.264 484 1HB ASN 65 1HB ASN 65 -15.195 5.314 -14.843 485 2HB ASN 65 2HB ASN 65 -15.997 3.777 -14.532 486 2HD2 ASN 65 2HD2 ASN 65 -16.673 6.593 -15.698 487 1HD2 ASN 65 1HD2 ASN 65 -18.246 6.893 -15.049 488 H ASP 66 H ASP 66 -16.057 4.784 -10.415 489 HA ASP 66 HA ASP 66 -16.387 1.893 -10.181 490 1HB ASP 66 1HB ASP 66 -16.591 2.248 -7.813 491 2HB ASP 66 2HB ASP 66 -15.230 3.203 -8.391 492 H GLY 67 H GLY 67 -18.261 4.698 -10.749 493 1HA GLY 67 1HA GLY 67 -20.649 3.157 -11.039 494 2HA GLY 67 2HA GLY 67 -20.505 4.897 -11.231 495 H ARG 68 H ARG 68 -19.296 3.823 -8.255 496 HA ARG 68 HA ARG 68 -21.843 3.982 -6.869 497 1HB ARG 68 1HB ARG 68 -19.158 2.989 -6.268 498 2HB ARG 68 2HB ARG 68 -19.885 3.866 -4.928 499 1HG ARG 68 1HG ARG 68 -21.839 2.109 -6.013 500 2HG ARG 68 2HG ARG 68 -20.348 1.203 -5.747 501 1HD ARG 68 1HD ARG 68 -20.911 1.067 -3.600 502 2HD ARG 68 2HD ARG 68 -20.628 2.804 -3.485 503 HE ARG 68 HE ARG 68 -23.169 2.646 -4.405 504 1HH1 ARG 68 1HH1 ARG 68 -21.506 1.214 -1.698 505 2HH1 ARG 68 2HH1 ARG 68 -22.920 1.146 -0.700 506 1HH2 ARG 68 1HH2 ARG 68 -25.035 2.560 -3.097 507 2HH2 ARG 68 2HH2 ARG 68 -24.926 1.910 -1.495 508 H THR 69 H THR 69 -19.792 6.200 -8.081 509 HA THR 69 HA THR 69 -20.644 8.208 -6.132 510 HB THR 69 HB THR 69 -17.854 8.435 -7.168 511 HG1 THR 69 HG1 THR 69 -18.113 6.296 -6.195 512 1HG2 THR 69 1HG2 THR 69 -19.280 10.125 -5.731 513 2HG2 THR 69 2HG2 THR 69 -18.742 9.098 -4.402 514 3HG2 THR 69 3HG2 THR 69 -17.557 9.905 -5.427 515 HA PRO 70 HA PRO 70 -21.761 10.059 -10.064 516 1HB PRO 70 1HB PRO 70 -22.361 12.395 -8.353 517 2HB PRO 70 2HB PRO 70 -23.413 11.517 -9.465 518 1HG PRO 70 1HG PRO 70 -23.697 11.284 -6.817 519 2HG PRO 70 2HG PRO 70 -23.945 9.900 -7.899 520 1HD PRO 70 1HD PRO 70 -21.589 10.561 -6.173 521 2HD PRO 70 2HD PRO 70 -22.353 8.988 -6.482 522 H GLY 71 H GLY 71 -19.428 11.134 -7.783 523 1HA GLY 71 1HA GLY 71 -17.871 12.887 -7.879 524 2HA GLY 71 2HA GLY 71 -18.534 13.362 -9.435 525 H SER 72 H SER 72 -18.127 10.115 -9.616 526 HA SER 72 HA SER 72 -15.424 9.622 -9.840 527 1HB SER 72 1HB SER 72 -16.897 7.770 -9.992 528 2HB SER 72 2HB SER 72 -17.774 8.479 -11.348 529 HG SER 72 HG SER 72 -15.032 7.914 -11.591 530 H ARG 73 H ARG 73 -14.029 10.897 -10.868 531 HA ARG 73 HA ARG 73 -14.652 12.409 -13.191 532 1HB ARG 73 1HB ARG 73 -12.418 12.107 -11.383 533 2HB ARG 73 2HB ARG 73 -11.861 12.166 -13.050 534 1HG ARG 73 1HG ARG 73 -12.122 14.360 -13.086 535 2HG ARG 73 2HG ARG 73 -13.828 14.191 -12.669 536 1HD ARG 73 1HD ARG 73 -12.408 13.710 -10.303 537 2HD ARG 73 2HD ARG 73 -11.631 15.104 -11.052 538 HE ARG 73 HE ARG 73 -14.288 14.980 -9.931 539 1HH1 ARG 73 1HH1 ARG 73 -12.123 16.682 -12.066 540 2HH1 ARG 73 2HH1 ARG 73 -13.000 18.172 -11.978 541 1HH2 ARG 73 1HH2 ARG 73 -15.450 16.938 -9.810 542 2HH2 ARG 73 2HH2 ARG 73 -14.892 18.317 -10.695 543 H ASN 74 H ASN 74 -12.933 9.371 -12.652 544 HA ASN 74 HA ASN 74 -12.443 7.625 -14.044 545 1HB ASN 74 1HB ASN 74 -14.780 8.228 -14.987 546 2HB ASN 74 2HB ASN 74 -13.899 9.018 -16.291 547 2HD2 ASN 74 2HD2 ASN 74 -13.047 6.068 -14.565 548 1HD2 ASN 74 1HD2 ASN 74 -13.141 5.023 -15.937 549 H LEU 75 H LEU 75 -10.729 9.800 -13.684 550 HA LEU 75 HA LEU 75 -9.544 10.865 -15.981 551 1HB LEU 75 1HB LEU 75 -8.888 10.357 -13.159 552 2HB LEU 75 2HB LEU 75 -7.516 10.573 -14.218 553 HG LEU 75 HG LEU 75 -9.812 12.528 -13.889 554 1HD1 LEU 75 1HD1 LEU 75 -8.403 12.242 -11.848 555 2HD1 LEU 75 2HD1 LEU 75 -7.018 12.787 -12.795 556 3HD1 LEU 75 3HD1 LEU 75 -8.385 13.870 -12.529 557 1HD2 LEU 75 1HD2 LEU 75 -7.178 12.750 -15.340 558 2HD2 LEU 75 2HD2 LEU 75 -8.793 12.769 -16.049 559 3HD2 LEU 75 3HD2 LEU 75 -8.261 14.106 -15.029 560 H CYS 76 H CYS 76 -8.794 8.181 -13.991 561 HA CYS 76 HA CYS 76 -6.635 7.153 -15.502 562 1HB CYS 76 1HB CYS 76 -7.675 6.860 -13.008 563 2HB CYS 76 2HB CYS 76 -8.107 5.332 -13.766 564 H ASN 77 H ASN 77 -10.078 6.633 -15.383 565 HA ASN 77 HA ASN 77 -11.534 5.393 -16.635 566 1HB ASN 77 1HB ASN 77 -9.974 6.777 -18.388 567 2HB ASN 77 2HB ASN 77 -9.687 5.126 -18.928 568 2HD2 ASN 77 2HD2 ASN 77 -11.536 7.743 -19.437 569 1HD2 ASN 77 1HD2 ASN 77 -12.956 6.997 -20.078 570 H ILE 78 H ILE 78 -10.351 3.879 -14.880 571 HA ILE 78 HA ILE 78 -9.613 1.449 -16.343 572 HB ILE 78 HB ILE 78 -7.820 1.033 -15.062 573 1HG1 ILE 78 1HG1 ILE 78 -9.613 1.901 -12.868 574 2HG1 ILE 78 2HG1 ILE 78 -8.557 0.500 -12.968 575 1HG2 ILE 78 1HG2 ILE 78 -7.477 3.299 -15.900 576 2HG2 ILE 78 2HG2 ILE 78 -8.172 3.953 -14.417 577 3HG2 ILE 78 3HG2 ILE 78 -6.658 3.052 -14.357 578 1HD1 ILE 78 1HD1 ILE 78 -6.636 2.098 -12.588 579 2HD1 ILE 78 2HD1 ILE 78 -7.855 3.305 -12.179 580 3HD1 ILE 78 3HD1 ILE 78 -7.723 1.827 -11.226 581 HA PRO 79 HA PRO 79 -12.737 -0.562 -13.909 582 1HB PRO 79 1HB PRO 79 -11.867 -3.106 -13.837 583 2HB PRO 79 2HB PRO 79 -12.407 -2.363 -15.347 584 1HG PRO 79 1HG PRO 79 -9.633 -2.857 -14.361 585 2HG PRO 79 2HG PRO 79 -10.281 -2.999 -16.004 586 1HD PRO 79 1HD PRO 79 -8.833 -0.840 -15.050 587 2HD PRO 79 2HD PRO 79 -9.918 -0.795 -16.451 588 H CYS 80 H CYS 80 -12.802 0.076 -11.807 589 HA CYS 80 HA CYS 80 -10.647 -0.002 -10.029 590 1HB CYS 80 1HB CYS 80 -13.469 -0.062 -9.036 591 2HB CYS 80 2HB CYS 80 -12.099 0.881 -8.457 592 H SER 81 H SER 81 -13.583 -2.053 -9.914 593 HA SER 81 HA SER 81 -12.766 -3.756 -7.905 594 1HB SER 81 1HB SER 81 -14.453 -5.285 -8.661 595 2HB SER 81 2HB SER 81 -15.046 -3.653 -8.968 596 HG SER 81 HG SER 81 -14.892 -5.565 -10.697 597 H ALA 82 H ALA 82 -11.703 -3.703 -11.218 598 HA ALA 82 HA ALA 82 -10.719 -6.361 -11.354 599 1HB ALA 82 1HB ALA 82 -11.179 -4.912 -13.320 600 2HB ALA 82 2HB ALA 82 -9.596 -5.688 -13.356 601 3HB ALA 82 3HB ALA 82 -9.734 -3.985 -12.919 602 H LEU 83 H LEU 83 -9.720 -3.860 -9.456 603 HA LEU 83 HA LEU 83 -6.925 -4.791 -9.412 604 1HB LEU 83 1HB LEU 83 -6.212 -2.701 -8.767 605 2HB LEU 83 2HB LEU 83 -7.549 -2.302 -9.827 606 HG LEU 83 HG LEU 83 -8.824 -2.395 -7.430 607 1HD1 LEU 83 1HD1 LEU 83 -6.451 -2.728 -6.446 608 2HD1 LEU 83 2HD1 LEU 83 -6.265 -1.004 -6.759 609 3HD1 LEU 83 3HD1 LEU 83 -7.545 -1.572 -5.689 610 1HD2 LEU 83 1HD2 LEU 83 -7.751 -0.333 -9.202 611 2HD2 LEU 83 2HD2 LEU 83 -9.352 -0.489 -8.479 612 3HD2 LEU 83 3HD2 LEU 83 -8.029 0.216 -7.549 613 H LEU 84 H LEU 84 -9.836 -4.894 -7.720 614 HA LEU 84 HA LEU 84 -8.509 -5.335 -5.146 615 1HB LEU 84 1HB LEU 84 -11.469 -5.332 -5.443 616 2HB LEU 84 2HB LEU 84 -10.476 -4.745 -4.121 617 HG LEU 84 HG LEU 84 -10.382 -3.327 -6.743 618 1HD1 LEU 84 1HD1 LEU 84 -12.805 -3.772 -5.592 619 2HD1 LEU 84 2HD1 LEU 84 -12.319 -2.260 -4.826 620 3HD1 LEU 84 3HD1 LEU 84 -12.398 -2.372 -6.585 621 1HD2 LEU 84 1HD2 LEU 84 -8.824 -2.790 -4.884 622 2HD2 LEU 84 2HD2 LEU 84 -9.836 -1.433 -5.381 623 3HD2 LEU 84 3HD2 LEU 84 -10.216 -2.323 -3.907 624 H SER 85 H SER 85 -8.184 -7.309 -7.110 625 HA SER 85 HA SER 85 -9.644 -9.522 -5.850 626 1HB SER 85 1HB SER 85 -8.879 -9.591 -8.765 627 2HB SER 85 2HB SER 85 -10.019 -10.630 -7.909 628 HG SER 85 HG SER 85 -11.477 -8.985 -7.847 629 H SER 86 H SER 86 -7.216 -8.543 -5.105 630 HA SER 86 HA SER 86 -5.156 -9.253 -4.416 631 1HB SER 86 1HB SER 86 -6.295 -11.476 -4.110 632 2HB SER 86 2HB SER 86 -5.839 -11.885 -5.763 633 HG SER 86 HG SER 86 -3.897 -12.314 -5.095 634 H ASP 87 H ASP 87 -5.949 -8.182 -7.027 635 HA ASP 87 HA ASP 87 -3.575 -8.873 -8.615 636 1HB ASP 87 1HB ASP 87 -5.878 -9.501 -9.472 637 2HB ASP 87 2HB ASP 87 -6.200 -7.779 -9.599 638 H ILE 88 H ILE 88 -2.106 -7.236 -8.473 639 HA ILE 88 HA ILE 88 -3.017 -4.555 -7.877 640 HB ILE 88 HB ILE 88 -0.422 -4.148 -8.198 641 1HG1 ILE 88 1HG1 ILE 88 -0.241 -6.941 -7.175 642 2HG1 ILE 88 2HG1 ILE 88 -0.380 -6.717 -8.916 643 1HG2 ILE 88 1HG2 ILE 88 -2.001 -5.199 -5.925 644 2HG2 ILE 88 2HG2 ILE 88 -0.249 -5.125 -5.738 645 3HG2 ILE 88 3HG2 ILE 88 -1.160 -3.661 -6.110 646 1HD1 ILE 88 1HD1 ILE 88 1.611 -4.996 -7.646 647 2HD1 ILE 88 2HD1 ILE 88 1.947 -6.724 -7.519 648 3HD1 ILE 88 3HD1 ILE 88 1.719 -5.983 -9.104 649 H THR 89 H THR 89 -2.613 -6.360 -10.659 650 HA THR 89 HA THR 89 -1.311 -4.813 -12.482 651 HB THR 89 HB THR 89 -3.970 -6.042 -13.172 652 HG1 THR 89 HG1 THR 89 -2.317 -7.928 -13.531 653 1HG2 THR 89 1HG2 THR 89 -1.423 -5.416 -14.606 654 2HG2 THR 89 2HG2 THR 89 -2.433 -6.747 -15.171 655 3HG2 THR 89 3HG2 THR 89 -3.091 -5.112 -15.095 656 H ALA 90 H ALA 90 -4.833 -4.561 -11.881 657 HA ALA 90 HA ALA 90 -5.189 -2.275 -13.402 658 1HB ALA 90 1HB ALA 90 -6.787 -3.906 -11.643 659 2HB ALA 90 2HB ALA 90 -7.190 -2.195 -11.491 660 3HB ALA 90 3HB ALA 90 -7.266 -2.982 -13.067 661 H SER 91 H SER 91 -4.625 -2.673 -9.931 662 HA SER 91 HA SER 91 -4.891 0.021 -9.180 663 1HB SER 91 1HB SER 91 -2.917 -1.209 -7.545 664 2HB SER 91 2HB SER 91 -4.618 -0.933 -7.172 665 HG SER 91 HG SER 91 -5.060 -2.958 -7.622 666 H VAL 92 H VAL 92 -2.231 -1.770 -10.507 667 HA VAL 92 HA VAL 92 -0.338 0.324 -10.029 668 HB VAL 92 HB VAL 92 -0.116 -2.145 -11.747 669 1HG1 VAL 92 1HG1 VAL 92 1.825 0.124 -11.334 670 2HG1 VAL 92 2HG1 VAL 92 2.346 -1.481 -11.845 671 3HG1 VAL 92 3HG1 VAL 92 1.240 -0.549 -12.855 672 1HG2 VAL 92 1HG2 VAL 92 -0.079 -2.247 -9.183 673 2HG2 VAL 92 2HG2 VAL 92 1.247 -3.023 -10.051 674 3HG2 VAL 92 3HG2 VAL 92 1.486 -1.443 -9.305 675 H ASN 93 H ASN 93 -2.047 -0.872 -12.918 676 HA ASN 93 HA ASN 93 -0.987 0.716 -14.793 677 1HB ASN 93 1HB ASN 93 -2.555 -0.295 -15.971 678 2HB ASN 93 2HB ASN 93 -3.325 -0.790 -14.486 679 2HD2 ASN 93 2HD2 ASN 93 -5.243 0.051 -13.958 680 1HD2 ASN 93 1HD2 ASN 93 -6.030 1.327 -14.815 681 H CYS 94 H CYS 94 -3.458 1.556 -12.457 682 HA CYS 94 HA CYS 94 -3.910 4.179 -13.382 683 1HB CYS 94 1HB CYS 94 -5.215 2.673 -11.631 684 2HB CYS 94 2HB CYS 94 -4.208 3.552 -10.482 685 H ALA 95 H ALA 95 -1.810 2.903 -10.785 686 HA ALA 95 HA ALA 95 -0.783 5.469 -10.103 687 1HB ALA 95 1HB ALA 95 -0.693 3.542 -8.590 688 2HB ALA 95 2HB ALA 95 0.547 2.828 -9.622 689 3HB ALA 95 3HB ALA 95 0.859 4.354 -8.796 690 H LYS 96 H LYS 96 0.292 2.959 -12.336 691 HA LYS 96 HA LYS 96 2.795 3.874 -13.009 692 1HB LYS 96 1HB LYS 96 1.390 1.853 -13.931 693 2HB LYS 96 2HB LYS 96 0.892 3.003 -15.164 694 1HG LYS 96 1HG LYS 96 3.299 3.391 -15.677 695 2HG LYS 96 2HG LYS 96 3.690 2.082 -14.560 696 1HD LYS 96 1HD LYS 96 2.401 0.520 -15.903 697 2HD LYS 96 2HD LYS 96 1.926 1.822 -16.994 698 1HE LYS 96 1HE LYS 96 3.726 1.356 -18.213 699 2HE LYS 96 2HE LYS 96 4.709 1.950 -16.875 700 1HZ LYS 96 1HZ LYS 96 3.860 -0.713 -16.394 701 2HZ LYS 96 2HZ LYS 96 4.653 -0.612 -17.885 702 3HZ LYS 96 3HZ LYS 96 5.432 -0.092 -16.476 703 H LYS 97 H LYS 97 -0.374 4.921 -13.789 704 HA LYS 97 HA LYS 97 0.422 7.051 -15.591 705 1HB LYS 97 1HB LYS 97 -1.900 5.645 -15.319 706 2HB LYS 97 2HB LYS 97 -2.298 7.121 -14.452 707 1HG LYS 97 1HG LYS 97 -1.002 7.553 -17.042 708 2HG LYS 97 2HG LYS 97 -2.577 6.762 -17.127 709 1HD LYS 97 1HD LYS 97 -3.004 8.772 -15.303 710 2HD LYS 97 2HD LYS 97 -1.895 9.520 -16.454 711 1HE LYS 97 1HE LYS 97 -3.757 9.956 -17.630 712 2HE LYS 97 2HE LYS 97 -3.632 8.270 -18.127 713 1HZ LYS 97 1HZ LYS 97 -4.953 8.135 -15.762 714 2HZ LYS 97 2HZ LYS 97 -5.588 9.541 -16.456 715 3HZ LYS 97 3HZ LYS 97 -5.673 8.072 -17.292 716 H ILE 98 H ILE 98 -0.463 6.622 -12.232 717 HA ILE 98 HA ILE 98 -0.817 9.309 -11.538 718 HB ILE 98 HB ILE 98 0.090 6.999 -9.845 719 1HG1 ILE 98 1HG1 ILE 98 -2.578 8.427 -9.981 720 2HG1 ILE 98 2HG1 ILE 98 -2.221 6.925 -10.826 721 1HG2 ILE 98 1HG2 ILE 98 -0.703 9.789 -9.016 722 2HG2 ILE 98 2HG2 ILE 98 -0.484 8.431 -7.913 723 3HG2 ILE 98 3HG2 ILE 98 0.887 9.047 -8.836 724 1HD1 ILE 98 1HD1 ILE 98 -1.549 6.631 -8.069 725 2HD1 ILE 98 2HD1 ILE 98 -3.190 7.260 -8.214 726 3HD1 ILE 98 3HD1 ILE 98 -2.746 5.759 -9.027 727 H VAL 99 H VAL 99 2.003 7.221 -11.315 728 HA VAL 99 HA VAL 99 3.794 9.251 -10.458 729 HB VAL 99 HB VAL 99 4.107 6.797 -10.048 730 1HG1 VAL 99 1HG1 VAL 99 3.683 6.462 -12.680 731 2HG1 VAL 99 2HG1 VAL 99 5.447 6.468 -12.655 732 3HG1 VAL 99 3HG1 VAL 99 4.555 5.301 -11.679 733 1HG2 VAL 99 1HG2 VAL 99 6.146 8.701 -10.970 734 2HG2 VAL 99 2HG2 VAL 99 6.043 7.781 -9.468 735 3HG2 VAL 99 3HG2 VAL 99 6.656 7.013 -10.932 736 H SER 100 H SER 100 2.677 8.160 -13.568 737 HA SER 100 HA SER 100 4.859 9.415 -15.008 738 1HB SER 100 1HB SER 100 3.765 7.369 -15.889 739 2HB SER 100 2HB SER 100 2.259 8.270 -16.060 740 HG SER 100 HG SER 100 3.408 8.216 -18.021 741 H ASP 101 H ASP 101 2.038 10.410 -13.521 742 HA ASP 101 HA ASP 101 1.432 12.568 -15.365 743 1HB ASP 101 1HB ASP 101 0.039 11.197 -13.270 744 2HB ASP 101 2HB ASP 101 0.044 12.923 -12.919 745 H GLY 102 H GLY 102 3.728 12.086 -13.042 746 1HA GLY 102 1HA GLY 102 3.825 14.972 -12.411 747 2HA GLY 102 2HA GLY 102 5.254 14.023 -12.783 748 H ASN 103 H ASN 103 2.520 13.194 -10.680 749 HA ASN 103 HA ASN 103 4.150 13.566 -8.305 750 1HB ASN 103 1HB ASN 103 1.323 12.510 -8.515 751 2HB ASN 103 2HB ASN 103 2.131 13.078 -7.057 752 2HD2 ASN 103 2HD2 ASN 103 -0.248 13.912 -8.877 753 1HD2 ASN 103 1HD2 ASN 103 -0.065 15.627 -8.971 754 H GLY 104 H GLY 104 5.703 11.996 -8.225 755 1HA GLY 104 1HA GLY 104 6.636 9.900 -8.119 756 2HA GLY 104 2HA GLY 104 5.190 9.273 -8.889 757 H MET 105 H MET 105 7.011 9.015 -6.226 758 HA MET 105 HA MET 105 5.017 7.578 -4.764 759 1HB MET 105 1HB MET 105 7.628 8.304 -3.522 760 2HB MET 105 2HB MET 105 6.757 6.779 -3.483 761 1HG MET 105 1HG MET 105 8.269 7.867 -5.847 762 2HG MET 105 2HG MET 105 8.851 6.628 -4.736 763 1HE MET 105 1HE MET 105 6.806 4.907 -4.026 764 2HE MET 105 2HE MET 105 5.301 5.410 -4.794 765 3HE MET 105 3HE MET 105 6.071 3.897 -5.272 766 H ASN 106 H ASN 106 5.878 10.774 -5.018 767 HA ASN 106 HA ASN 106 5.596 11.646 -2.343 768 1HB ASN 106 1HB ASN 106 5.804 12.857 -5.038 769 2HB ASN 106 2HB ASN 106 5.075 13.842 -3.789 770 2HD2 ASN 106 2HD2 ASN 106 7.868 11.728 -4.289 771 1HD2 ASN 106 1HD2 ASN 106 8.992 12.719 -3.429 772 H ALA 107 H ALA 107 3.374 11.119 -5.012 773 HA ALA 107 HA ALA 107 1.166 12.565 -4.237 774 1HB ALA 107 1HB ALA 107 1.660 10.201 -5.871 775 2HB ALA 107 2HB ALA 107 0.050 10.228 -5.150 776 3HB ALA 107 3HB ALA 107 0.588 11.572 -6.156 777 H TRP 108 H TRP 108 2.057 9.289 -3.214 778 HA TRP 108 HA TRP 108 -0.121 9.133 -1.344 779 1HB TRP 108 1HB TRP 108 2.266 7.301 -1.681 780 2HB TRP 108 2HB TRP 108 0.789 6.936 -0.787 781 HD1 TRP 108 HD1 TRP 108 -1.471 6.575 -2.268 782 HE1 TRP 108 HE1 TRP 108 -1.780 5.797 -4.702 783 HE3 TRP 108 HE3 TRP 108 3.284 7.341 -3.979 784 HZ2 TRP 108 HZ2 TRP 108 -0.216 5.540 -7.050 785 HZ3 TRP 108 HZ3 TRP 108 3.795 6.806 -6.324 786 HH2 TRP 108 HH2 TRP 108 2.085 5.922 -7.823 787 H VAL 109 H VAL 109 -0.126 9.653 0.727 788 HA VAL 109 HA VAL 109 2.068 11.113 1.839 789 HB VAL 109 HB VAL 109 -0.069 10.421 3.632 790 1HG1 VAL 109 1HG1 VAL 109 1.128 13.011 2.694 791 2HG1 VAL 109 2HG1 VAL 109 -0.084 12.875 3.968 792 3HG1 VAL 109 3HG1 VAL 109 1.507 12.145 4.184 793 1HG2 VAL 109 1HG2 VAL 109 -0.656 11.591 0.964 794 2HG2 VAL 109 2HG2 VAL 109 -1.604 10.455 1.922 795 3HG2 VAL 109 3HG2 VAL 109 -1.561 12.161 2.366 796 H ALA 110 H ALA 110 0.953 7.847 2.180 797 HA ALA 110 HA ALA 110 2.099 7.396 4.753 798 1HB ALA 110 1HB ALA 110 1.963 5.006 3.134 799 2HB ALA 110 2HB ALA 110 1.057 5.433 4.585 800 3HB ALA 110 3HB ALA 110 0.478 5.949 3.001 801 H TRP 111 H TRP 111 3.333 7.611 1.587 802 HA TRP 111 HA TRP 111 5.792 6.184 2.236 803 1HB TRP 111 1HB TRP 111 4.977 5.808 0.004 804 2HB TRP 111 2HB TRP 111 4.875 7.533 -0.311 805 HD1 TRP 111 HD1 TRP 111 7.314 4.636 -0.304 806 HE1 TRP 111 HE1 TRP 111 9.562 5.413 -1.288 807 HE3 TRP 111 HE3 TRP 111 6.414 9.666 -0.528 808 HZ2 TRP 111 HZ2 TRP 111 10.789 7.832 -2.060 809 HZ3 TRP 111 HZ3 TRP 111 8.177 11.140 -1.403 810 HH2 TRP 111 HH2 TRP 111 10.320 10.242 -2.153 811 H ARG 112 H ARG 112 4.541 9.374 2.298 812 HA ARG 112 HA ARG 112 7.171 10.606 2.193 813 1HB ARG 112 1HB ARG 112 5.019 11.575 1.180 814 2HB ARG 112 2HB ARG 112 4.594 12.016 2.829 815 1HG ARG 112 1HG ARG 112 7.221 12.912 2.450 816 2HG ARG 112 2HG ARG 112 6.339 13.340 0.983 817 1HD ARG 112 1HD ARG 112 4.948 13.860 3.531 818 2HD ARG 112 2HD ARG 112 6.368 14.855 3.209 819 HE ARG 112 HE ARG 112 3.872 14.827 1.699 820 1HH1 ARG 112 1HH1 ARG 112 7.123 16.026 2.061 821 2HH1 ARG 112 2HH1 ARG 112 6.881 17.375 1.003 822 1HH2 ARG 112 1HH2 ARG 112 3.544 16.600 0.304 823 2HH2 ARG 112 2HH2 ARG 112 4.846 17.702 0.005 824 H ASN 113 H ASN 113 4.558 10.159 4.585 825 HA ASN 113 HA ASN 113 6.138 11.445 6.634 826 1HB ASN 113 1HB ASN 113 3.423 11.103 6.171 827 2HB ASN 113 2HB ASN 113 3.752 10.039 7.536 828 2HD2 ASN 113 2HD2 ASN 113 5.418 11.210 9.111 829 1HD2 ASN 113 1HD2 ASN 113 4.900 12.781 9.606 830 H ARG 114 H ARG 114 5.064 8.207 5.815 831 HA ARG 114 HA ARG 114 6.322 7.114 8.193 832 1HB ARG 114 1HB ARG 114 4.337 6.219 6.205 833 2HB ARG 114 2HB ARG 114 5.347 4.975 6.903 834 1HG ARG 114 1HG ARG 114 3.601 4.958 8.374 835 2HG ARG 114 2HG ARG 114 4.656 6.134 9.160 836 1HD ARG 114 1HD ARG 114 3.309 7.897 8.641 837 2HD ARG 114 2HD ARG 114 2.725 7.153 7.153 838 HE ARG 114 HE ARG 114 1.213 5.837 8.478 839 1HH1 ARG 114 1HH1 ARG 114 2.844 8.405 10.178 840 2HH1 ARG 114 2HH1 ARG 114 1.678 8.471 11.457 841 1HH2 ARG 114 1HH2 ARG 114 -0.326 5.918 10.158 842 2HH2 ARG 114 2HH2 ARG 114 -0.123 7.058 11.446 843 H CYS 115 H CYS 115 6.736 7.004 4.678 844 HA CYS 115 HA CYS 115 8.959 5.142 4.992 845 1HB CYS 115 1HB CYS 115 7.361 4.704 3.208 846 2HB CYS 115 2HB CYS 115 7.703 6.277 2.495 847 H LYS 116 H LYS 116 8.427 8.387 3.641 848 HA LYS 116 HA LYS 116 11.037 8.851 2.783 849 1HB LYS 116 1HB LYS 116 8.817 10.268 2.543 850 2HB LYS 116 2HB LYS 116 9.477 11.119 3.932 851 1HG LYS 116 1HG LYS 116 11.639 11.043 2.302 852 2HG LYS 116 2HG LYS 116 10.326 11.138 1.127 853 1HD LYS 116 1HD LYS 116 10.335 13.341 1.491 854 2HD LYS 116 2HD LYS 116 9.616 12.983 3.063 855 1HE LYS 116 1HE LYS 116 11.398 14.001 3.940 856 2HE LYS 116 2HE LYS 116 12.296 12.550 3.496 857 1HZ LYS 116 1HZ LYS 116 12.194 14.091 1.215 858 2HZ LYS 116 2HZ LYS 116 12.529 15.183 2.464 859 3HZ LYS 116 3HZ LYS 116 13.535 13.847 2.217 860 H GLY 117 H GLY 117 12.594 8.179 4.203 861 1HA GLY 117 1HA GLY 117 12.610 9.303 6.904 862 2HA GLY 117 2HA GLY 117 13.944 9.724 5.842 863 H THR 118 H THR 118 12.916 6.642 5.067 864 HA THR 118 HA THR 118 14.873 5.427 6.904 865 HB THR 118 HB THR 118 13.651 3.296 6.586 866 HG1 THR 118 HG1 THR 118 12.366 3.269 4.902 867 1HG2 THR 118 1HG2 THR 118 12.929 5.459 8.172 868 2HG2 THR 118 2HG2 THR 118 11.408 4.911 7.468 869 3HG2 THR 118 3HG2 THR 118 12.413 3.786 8.382 870 H ASP 119 H ASP 119 14.663 2.896 5.341 871 HA ASP 119 HA ASP 119 16.081 3.676 2.903 872 1HB ASP 119 1HB ASP 119 17.495 2.906 4.953 873 2HB ASP 119 2HB ASP 119 17.021 1.329 4.364 874 H VAL 120 H VAL 120 14.908 2.952 1.259 875 HA VAL 120 HA VAL 120 13.175 0.685 1.482 876 HB VAL 120 HB VAL 120 12.605 1.108 -0.849 877 1HG1 VAL 120 1HG1 VAL 120 11.859 2.611 1.164 878 2HG1 VAL 120 2HG1 VAL 120 12.789 3.846 0.315 879 3HG1 VAL 120 3HG1 VAL 120 11.436 3.051 -0.490 880 1HG2 VAL 120 1HG2 VAL 120 15.075 2.765 -0.756 881 2HG2 VAL 120 2HG2 VAL 120 14.476 1.699 -2.027 882 3HG2 VAL 120 3HG2 VAL 120 13.752 3.289 -1.797 883 H GLN 121 H GLN 121 16.368 1.339 0.234 884 HA GLN 121 HA GLN 121 16.707 -0.894 -1.420 885 1HB GLN 121 1HB GLN 121 18.268 1.117 -1.102 886 2HB GLN 121 2HB GLN 121 18.889 0.268 0.307 887 1HG GLN 121 1HG GLN 121 19.895 -1.365 -0.946 888 2HG GLN 121 2HG GLN 121 18.795 -1.150 -2.307 889 2HE2 GLN 121 2HE2 GLN 121 19.731 -0.327 -4.020 890 1HE2 GLN 121 1HE2 GLN 121 21.037 0.804 -4.032 891 H ALA 122 H ALA 122 16.597 -0.531 1.999 892 HA ALA 122 HA ALA 122 17.691 -3.176 2.516 893 1HB ALA 122 1HB ALA 122 17.582 -0.797 3.980 894 2HB ALA 122 2HB ALA 122 16.509 -1.916 4.819 895 3HB ALA 122 3HB ALA 122 18.190 -2.361 4.525 896 H TRP 123 H TRP 123 14.665 -1.623 2.016 897 HA TRP 123 HA TRP 123 12.992 -3.366 3.495 898 1HB TRP 123 1HB TRP 123 12.602 -1.412 1.288 899 2HB TRP 123 2HB TRP 123 11.333 -2.603 1.543 900 HD1 TRP 123 HD1 TRP 123 11.539 0.732 2.228 901 HE1 TRP 123 HE1 TRP 123 10.580 1.440 4.509 902 HE3 TRP 123 HE3 TRP 123 11.537 -3.787 4.588 903 HZ2 TRP 123 HZ2 TRP 123 9.924 0.210 6.952 904 HZ3 TRP 123 HZ3 TRP 123 10.731 -3.944 6.887 905 HH2 TRP 123 HH2 TRP 123 9.933 -1.962 8.057 906 H ILE 124 H ILE 124 14.757 -3.791 0.602 907 HA ILE 124 HA ILE 124 13.347 -6.331 0.111 908 HB ILE 124 HB ILE 124 13.985 -6.076 -2.302 909 1HG1 ILE 124 1HG1 ILE 124 14.173 -3.134 -1.939 910 2HG1 ILE 124 2HG1 ILE 124 15.595 -4.077 -1.504 911 1HG2 ILE 124 1HG2 ILE 124 11.711 -5.638 -1.410 912 2HG2 ILE 124 2HG2 ILE 124 12.137 -3.932 -1.270 913 3HG2 ILE 124 3HG2 ILE 124 12.094 -4.702 -2.855 914 1HD1 ILE 124 1HD1 ILE 124 14.842 -5.094 -3.961 915 2HD1 ILE 124 2HD1 ILE 124 14.578 -3.356 -4.107 916 3HD1 ILE 124 3HD1 ILE 124 16.163 -3.971 -3.642 917 H ARG 125 H ARG 125 15.920 -5.358 1.525 918 HA ARG 125 HA ARG 125 18.110 -6.447 0.099 919 1HB ARG 125 1HB ARG 125 18.247 -4.810 2.006 920 2HB ARG 125 2HB ARG 125 17.876 -6.141 3.093 921 1HG ARG 125 1HG ARG 125 20.137 -6.173 3.236 922 2HG ARG 125 2HG ARG 125 19.932 -7.250 1.853 923 1HD ARG 125 1HD ARG 125 19.984 -4.717 0.734 924 2HD ARG 125 2HD ARG 125 21.197 -4.643 2.012 925 HE ARG 125 HE ARG 125 21.981 -6.847 0.870 926 1HH1 ARG 125 1HH1 ARG 125 20.748 -3.992 -0.702 927 2HH1 ARG 125 2HH1 ARG 125 21.654 -4.245 -2.156 928 1HH2 ARG 125 1HH2 ARG 125 23.177 -7.188 -1.041 929 2HH2 ARG 125 2HH2 ARG 125 23.034 -6.063 -2.350 930 H GLY 126 H GLY 126 17.599 -8.506 -0.634 931 1HA GLY 126 1HA GLY 126 17.385 -10.556 1.486 932 2HA GLY 126 2HA GLY 126 18.326 -10.778 0.020 933 H CYS 127 H CYS 127 15.666 -9.132 -0.933 934 HA CYS 127 HA CYS 127 13.648 -11.077 -0.922 935 1HB CYS 127 1HB CYS 127 14.120 -8.539 -2.265 936 2HB CYS 127 2HB CYS 127 12.937 -9.591 -3.015 937 H ARG 128 H ARG 128 12.674 -11.503 -3.347 938 HA ARG 128 HA ARG 128 14.809 -12.597 -5.023 939 1HB ARG 128 1HB ARG 128 12.867 -14.154 -3.463 940 2HB ARG 128 2HB ARG 128 12.942 -14.600 -5.162 941 1HG ARG 128 1HG ARG 128 14.766 -15.783 -4.774 942 2HG ARG 128 2HG ARG 128 15.601 -14.332 -4.217 943 1HD ARG 128 1HD ARG 128 15.453 -14.947 -2.076 944 2HD ARG 128 2HD ARG 128 13.755 -15.388 -2.237 945 HE ARG 128 HE ARG 128 14.761 -17.497 -3.340 946 1HH1 ARG 128 1HH1 ARG 128 16.137 -15.734 -0.668 947 2HH1 ARG 128 2HH1 ARG 128 16.925 -17.120 0.008 948 1HH2 ARG 128 1HH2 ARG 128 15.794 -19.327 -2.456 949 2HH2 ARG 128 2HH2 ARG 128 16.731 -19.162 -1.009 950 H LEU 129 H LEU 129 14.313 -11.024 -6.557 951 HA LEU 129 HA LEU 129 11.782 -11.480 -7.987 952 1HB LEU 129 1HB LEU 129 11.902 -8.999 -8.577 953 2HB LEU 129 2HB LEU 129 11.372 -9.424 -6.960 954 HG LEU 129 HG LEU 129 14.148 -9.095 -6.758 955 1HD1 LEU 129 1HD1 LEU 129 12.973 -7.345 -8.808 956 2HD1 LEU 129 2HD1 LEU 129 13.931 -6.531 -7.570 957 3HD1 LEU 129 3HD1 LEU 129 14.651 -7.817 -8.537 958 1HD2 LEU 129 1HD2 LEU 129 11.889 -8.331 -5.428 959 2HD2 LEU 129 2HD2 LEU 129 13.529 -7.825 -5.021 960 3HD2 LEU 129 3HD2 LEU 129 12.509 -6.789 -6.019 No H/Q in entry = 960 Start of MODEL 33 1 H1 LYS 1 H1 LYS 1 -6.210 -10.316 2.974 2 H2 LYS 1 H2 LYS 1 -7.391 -10.826 1.875 3 H3 LYS 1 H3 LYS 1 -6.860 -11.873 3.095 4 HA LYS 1 HA LYS 1 -4.946 -12.406 2.050 5 1HB LYS 1 1HB LYS 1 -7.165 -12.574 0.557 6 2HB LYS 1 2HB LYS 1 -6.228 -11.506 -0.480 7 1HG LYS 1 1HG LYS 1 -4.462 -13.535 0.228 8 2HG LYS 1 2HG LYS 1 -5.998 -14.349 -0.078 9 1HD LYS 1 1HD LYS 1 -6.145 -13.212 -2.254 10 2HD LYS 1 2HD LYS 1 -4.586 -12.445 -1.946 11 1HE LYS 1 1HE LYS 1 -4.000 -14.261 -3.255 12 2HE LYS 1 2HE LYS 1 -3.734 -14.867 -1.622 13 1HZ LYS 1 1HZ LYS 1 -6.231 -15.323 -3.155 14 2HZ LYS 1 2HZ LYS 1 -4.943 -16.418 -3.119 15 3HZ LYS 1 3HZ LYS 1 -5.780 -16.046 -1.695 16 H VAL 2 H VAL 2 -3.454 -10.811 2.760 17 HA VAL 2 HA VAL 2 -3.047 -8.436 1.150 18 HB VAL 2 HB VAL 2 -1.671 -9.532 3.601 19 1HG1 VAL 2 1HG1 VAL 2 -0.239 -8.173 1.801 20 2HG1 VAL 2 2HG1 VAL 2 -0.986 -6.817 2.641 21 3HG1 VAL 2 3HG1 VAL 2 -0.011 -7.979 3.538 22 1HG2 VAL 2 1HG2 VAL 2 -3.785 -7.601 3.058 23 2HG2 VAL 2 2HG2 VAL 2 -3.381 -8.451 4.549 24 3HG2 VAL 2 3HG2 VAL 2 -2.519 -6.975 4.113 25 H PHE 3 H PHE 3 -1.082 -7.964 0.000 26 HA PHE 3 HA PHE 3 -0.007 -10.176 -1.436 27 1HB PHE 3 1HB PHE 3 0.328 -7.215 -1.450 28 2HB PHE 3 2HB PHE 3 1.619 -8.179 -2.149 29 HD1 PHE 3 HD1 PHE 3 1.103 -9.699 -4.061 30 HD2 PHE 3 HD2 PHE 3 -1.674 -6.832 -2.592 31 HE1 PHE 3 HE1 PHE 3 -0.143 -9.827 -6.176 32 HE2 PHE 3 HE2 PHE 3 -2.924 -6.950 -4.704 33 HZ PHE 3 HZ PHE 3 -2.157 -8.449 -6.502 34 H GLY 4 H GLY 4 2.321 -10.466 -1.691 35 1HA GLY 4 1HA GLY 4 4.153 -11.424 -0.550 36 2HA GLY 4 2HA GLY 4 3.638 -10.594 0.914 37 H ARG 5 H ARG 5 5.744 -9.775 1.292 38 HA ARG 5 HA ARG 5 6.247 -7.219 0.347 39 1HB ARG 5 1HB ARG 5 8.676 -7.749 1.145 40 2HB ARG 5 2HB ARG 5 7.367 -7.697 2.318 41 1HG ARG 5 1HG ARG 5 7.196 -10.215 2.003 42 2HG ARG 5 2HG ARG 5 8.748 -10.099 1.170 43 1HD ARG 5 1HD ARG 5 9.890 -9.597 3.076 44 2HD ARG 5 2HD ARG 5 8.513 -8.781 3.816 45 HE ARG 5 HE ARG 5 7.890 -11.487 3.650 46 1HH1 ARG 5 1HH1 ARG 5 10.197 -9.435 5.265 47 2HH1 ARG 5 2HH1 ARG 5 10.366 -10.484 6.633 48 1HH2 ARG 5 1HH2 ARG 5 8.107 -12.874 5.447 49 2HH2 ARG 5 2HH2 ARG 5 9.178 -12.439 6.736 50 H CYS 6 H CYS 6 8.093 -10.147 -0.548 51 HA CYS 6 HA CYS 6 9.215 -8.734 -2.797 52 1HB CYS 6 1HB CYS 6 9.483 -11.690 -2.433 53 2HB CYS 6 2HB CYS 6 10.621 -10.529 -3.109 54 H GLU 7 H GLU 7 6.761 -11.194 -2.231 55 HA GLU 7 HA GLU 7 6.296 -12.139 -4.767 56 1HB GLU 7 1HB GLU 7 5.024 -12.651 -2.580 57 2HB GLU 7 2HB GLU 7 4.014 -11.274 -2.998 58 1HG GLU 7 1HG GLU 7 3.226 -12.326 -4.961 59 2HG GLU 7 2HG GLU 7 4.450 -13.591 -4.856 60 H LEU 8 H LEU 8 5.019 -9.172 -3.319 61 HA LEU 8 HA LEU 8 3.787 -8.262 -5.709 62 1HB LEU 8 1HB LEU 8 2.919 -7.312 -3.746 63 2HB LEU 8 2HB LEU 8 4.511 -6.915 -3.124 64 HG LEU 8 HG LEU 8 4.351 -5.469 -5.489 65 1HD1 LEU 8 1HD1 LEU 8 1.760 -6.140 -4.977 66 2HD1 LEU 8 2HD1 LEU 8 1.905 -4.580 -4.166 67 3HD1 LEU 8 3HD1 LEU 8 2.288 -4.721 -5.882 68 1HD2 LEU 8 1HD2 LEU 8 4.892 -5.018 -2.831 69 2HD2 LEU 8 2HD2 LEU 8 4.964 -3.820 -4.125 70 3HD2 LEU 8 3HD2 LEU 8 3.505 -3.973 -3.145 71 H ALA 9 H ALA 9 6.993 -7.751 -4.215 72 HA ALA 9 HA ALA 9 7.842 -5.674 -5.892 73 1HB ALA 9 1HB ALA 9 9.387 -5.890 -4.287 74 2HB ALA 9 2HB ALA 9 10.153 -6.989 -5.435 75 3HB ALA 9 3HB ALA 9 9.145 -7.632 -4.139 76 H ALA 10 H ALA 10 8.342 -9.192 -6.266 77 HA ALA 10 HA ALA 10 9.681 -9.171 -8.677 78 1HB ALA 10 1HB ALA 10 8.940 -11.435 -8.986 79 2HB ALA 10 2HB ALA 10 7.584 -11.192 -7.884 80 3HB ALA 10 3HB ALA 10 9.235 -11.186 -7.265 81 H ALA 11 H ALA 11 6.239 -8.919 -7.965 82 HA ALA 11 HA ALA 11 5.353 -8.986 -10.636 83 1HB ALA 11 1HB ALA 11 3.983 -9.252 -8.472 84 2HB ALA 11 2HB ALA 11 3.239 -8.431 -9.843 85 3HB ALA 11 3HB ALA 11 3.899 -7.491 -8.505 86 H MET 12 H MET 12 6.357 -6.464 -8.536 87 HA MET 12 HA MET 12 5.653 -4.219 -10.048 88 1HB MET 12 1HB MET 12 8.206 -4.382 -8.464 89 2HB MET 12 2HB MET 12 7.216 -2.973 -8.761 90 1HG MET 12 1HG MET 12 6.432 -5.311 -7.057 91 2HG MET 12 2HG MET 12 7.032 -3.766 -6.467 92 1HE MET 12 1HE MET 12 5.988 -1.725 -8.112 93 2HE MET 12 2HE MET 12 4.278 -1.363 -7.881 94 3HE MET 12 3HE MET 12 5.363 -1.420 -6.491 95 H LYS 13 H LYS 13 8.723 -6.011 -9.969 96 HA LYS 13 HA LYS 13 10.119 -4.597 -11.889 97 1HB LYS 13 1HB LYS 13 10.871 -6.582 -10.405 98 2HB LYS 13 2HB LYS 13 10.281 -7.596 -11.714 99 1HG LYS 13 1HG LYS 13 11.858 -5.759 -13.018 100 2HG LYS 13 2HG LYS 13 12.730 -6.046 -11.511 101 1HD LYS 13 1HD LYS 13 12.505 -8.503 -11.956 102 2HD LYS 13 2HD LYS 13 11.859 -8.092 -13.547 103 1HE LYS 13 1HE LYS 13 13.905 -7.780 -14.358 104 2HE LYS 13 2HE LYS 13 14.292 -6.646 -13.065 105 1HZ LYS 13 1HZ LYS 13 14.342 -9.534 -12.517 106 2HZ LYS 13 2HZ LYS 13 15.647 -8.821 -13.322 107 3HZ LYS 13 3HZ LYS 13 15.214 -8.288 -11.776 108 H ARG 14 H ARG 14 7.876 -7.300 -12.294 109 HA ARG 14 HA ARG 14 8.114 -7.513 -15.090 110 1HB ARG 14 1HB ARG 14 6.369 -8.572 -12.998 111 2HB ARG 14 2HB ARG 14 5.525 -8.304 -14.517 112 1HG ARG 14 1HG ARG 14 7.980 -9.561 -15.131 113 2HG ARG 14 2HG ARG 14 7.253 -10.439 -13.783 114 1HD ARG 14 1HD ARG 14 5.211 -10.747 -15.020 115 2HD ARG 14 2HD ARG 14 5.806 -9.727 -16.330 116 HE ARG 14 HE ARG 14 7.324 -11.456 -16.935 117 1HH1 ARG 14 1HH1 ARG 14 5.079 -12.348 -14.424 118 2HH1 ARG 14 2HH1 ARG 14 5.300 -14.051 -14.654 119 1HH2 ARG 14 1HH2 ARG 14 7.620 -13.694 -17.245 120 2HH2 ARG 14 2HH2 ARG 14 6.745 -14.816 -16.257 121 H HIS 15 H HIS 15 5.956 -5.622 -12.997 122 HA HIS 15 HA HIS 15 4.444 -4.571 -15.164 123 1HB HIS 15 1HB HIS 15 4.560 -4.194 -12.221 124 2HB HIS 15 2HB HIS 15 3.846 -2.893 -13.170 125 HD1 HIS 15 HD1 HIS 15 2.583 -5.303 -11.203 126 HD2 HIS 15 HD2 HIS 15 2.082 -4.632 -15.273 127 HE1 HIS 15 HE1 HIS 15 0.423 -6.438 -11.811 128 HE2 HIS 15 HE2 HIS 15 0.184 -6.092 -14.294 129 H GLY 16 H GLY 16 7.598 -3.880 -14.199 130 1HA GLY 16 1HA GLY 16 7.591 -1.548 -15.836 131 2HA GLY 16 2HA GLY 16 8.976 -2.302 -15.080 132 H LEU 17 H LEU 17 7.535 -1.971 -12.315 133 HA LEU 17 HA LEU 17 7.611 0.921 -12.156 134 1HB LEU 17 1HB LEU 17 7.307 -0.848 -9.771 135 2HB LEU 17 2HB LEU 17 6.696 0.772 -10.018 136 HG LEU 17 HG LEU 17 5.497 -1.826 -10.686 137 1HD1 LEU 17 1HD1 LEU 17 4.854 0.234 -9.080 138 2HD1 LEU 17 2HD1 LEU 17 3.926 0.664 -10.517 139 3HD1 LEU 17 3HD1 LEU 17 3.672 -0.897 -9.738 140 1HD2 LEU 17 1HD2 LEU 17 5.533 0.436 -12.643 141 2HD2 LEU 17 2HD2 LEU 17 5.584 -1.303 -12.935 142 3HD2 LEU 17 3HD2 LEU 17 4.070 -0.532 -12.461 143 H ASP 18 H ASP 18 9.816 -1.477 -12.031 144 HA ASP 18 HA ASP 18 11.465 -0.523 -9.904 145 1HB ASP 18 1HB ASP 18 11.952 -2.725 -10.318 146 2HB ASP 18 2HB ASP 18 11.766 -2.559 -12.054 147 H ASN 19 H ASN 19 11.861 1.588 -10.133 148 HA ASN 19 HA ASN 19 12.961 3.471 -10.727 149 1HB ASN 19 1HB ASN 19 14.708 1.371 -11.454 150 2HB ASN 19 2HB ASN 19 14.714 2.504 -12.802 151 2HD2 ASN 19 2HD2 ASN 19 16.600 1.763 -10.502 152 1HD2 ASN 19 1HD2 ASN 19 17.105 3.298 -9.893 153 H TYR 20 H TYR 20 10.594 2.768 -12.009 154 HA TYR 20 HA TYR 20 10.747 3.321 -14.806 155 1HB TYR 20 1HB TYR 20 8.793 2.202 -13.665 156 2HB TYR 20 2HB TYR 20 8.386 3.760 -12.956 157 HD1 TYR 20 HD1 TYR 20 8.921 2.110 -16.257 158 HD2 TYR 20 HD2 TYR 20 6.956 5.200 -14.091 159 HE1 TYR 20 HE1 TYR 20 7.604 2.667 -18.258 160 HE2 TYR 20 HE2 TYR 20 5.633 5.765 -16.085 161 HH TYR 20 HH TYR 20 5.730 3.791 -18.976 162 H ARG 21 H ARG 21 9.710 5.394 -15.706 163 HA ARG 21 HA ARG 21 11.064 7.591 -15.453 164 1HB ARG 21 1HB ARG 21 8.679 7.160 -16.558 165 2HB ARG 21 2HB ARG 21 8.147 8.132 -15.194 166 1HG ARG 21 1HG ARG 21 8.503 9.835 -16.609 167 2HG ARG 21 2HG ARG 21 10.179 9.652 -16.088 168 1HD ARG 21 1HD ARG 21 10.699 9.366 -18.235 169 2HD ARG 21 2HD ARG 21 9.899 7.798 -18.128 170 HE ARG 21 HE ARG 21 8.701 10.273 -19.169 171 1HH1 ARG 21 1HH1 ARG 21 8.658 6.813 -18.761 172 2HH1 ARG 21 2HH1 ARG 21 7.370 6.566 -19.892 173 1HH2 ARG 21 1HH2 ARG 21 7.005 9.957 -20.659 174 2HH2 ARG 21 2HH2 ARG 21 6.431 8.353 -20.971 175 H GLY 22 H GLY 22 8.750 6.552 -13.042 176 1HA GLY 22 1HA GLY 22 8.189 7.425 -10.975 177 2HA GLY 22 2HA GLY 22 9.131 8.857 -11.356 178 H TYR 23 H TYR 23 9.119 5.763 -9.818 179 HA TYR 23 HA TYR 23 11.920 6.171 -9.034 180 1HB TYR 23 1HB TYR 23 9.561 5.672 -7.244 181 2HB TYR 23 2HB TYR 23 11.216 5.398 -6.714 182 HD1 TYR 23 HD1 TYR 23 8.944 8.009 -8.066 183 HD2 TYR 23 HD2 TYR 23 12.501 7.180 -5.887 184 HE1 TYR 23 HE1 TYR 23 9.125 10.388 -7.474 185 HE2 TYR 23 HE2 TYR 23 12.693 9.557 -5.288 186 HH TYR 23 HH TYR 23 11.950 11.669 -5.866 187 H SER 24 H SER 24 12.624 4.292 -7.518 188 HA SER 24 HA SER 24 12.527 1.927 -9.162 189 1HB SER 24 1HB SER 24 14.393 1.152 -7.876 190 2HB SER 24 2HB SER 24 14.655 2.862 -8.215 191 HG SER 24 HG SER 24 14.986 2.852 -6.112 192 H LEU 25 H LEU 25 12.525 -0.209 -8.054 193 HA LEU 25 HA LEU 25 10.109 -0.936 -7.114 194 1HB LEU 25 1HB LEU 25 12.792 -2.065 -7.112 195 2HB LEU 25 2HB LEU 25 11.795 -2.686 -5.809 196 HG LEU 25 HG LEU 25 10.650 -2.630 -8.546 197 1HD1 LEU 25 1HD1 LEU 25 13.139 -3.747 -8.155 198 2HD1 LEU 25 2HD1 LEU 25 12.040 -5.112 -7.961 199 3HD1 LEU 25 3HD1 LEU 25 12.004 -4.154 -9.442 200 1HD2 LEU 25 1HD2 LEU 25 10.473 -4.526 -6.207 201 2HD2 LEU 25 2HD2 LEU 25 9.270 -3.325 -6.680 202 3HD2 LEU 25 3HD2 LEU 25 9.600 -4.703 -7.730 203 H GLY 26 H GLY 26 12.920 -0.453 -4.948 204 1HA GLY 26 1HA GLY 26 13.009 0.378 -2.803 205 2HA GLY 26 2HA GLY 26 11.803 -0.863 -2.523 206 H ASN 27 H ASN 27 11.411 2.103 -4.418 207 HA ASN 27 HA ASN 27 10.095 3.552 -2.364 208 1HB ASN 27 1HB ASN 27 9.870 3.978 -5.346 209 2HB ASN 27 2HB ASN 27 9.505 5.150 -4.083 210 2HD2 ASN 27 2HD2 ASN 27 11.980 3.572 -5.898 211 1HD2 ASN 27 1HD2 ASN 27 13.301 4.533 -5.335 212 H TRP 28 H TRP 28 8.974 1.366 -4.857 213 HA TRP 28 HA TRP 28 6.198 1.956 -4.562 214 1HB TRP 28 1HB TRP 28 7.607 -0.431 -5.751 215 2HB TRP 28 2HB TRP 28 5.869 -0.131 -5.860 216 HD1 TRP 28 HD1 TRP 28 9.140 0.826 -7.407 217 HE1 TRP 28 HE1 TRP 28 8.755 2.544 -9.270 218 HE3 TRP 28 HE3 TRP 28 4.216 1.836 -6.548 219 HZ2 TRP 28 HZ2 TRP 28 6.620 4.111 -10.281 220 HZ3 TRP 28 HZ3 TRP 28 3.057 3.443 -8.002 221 HH2 TRP 28 HH2 TRP 28 4.239 4.562 -9.836 222 H VAL 29 H VAL 29 8.383 -0.454 -3.156 223 HA VAL 29 HA VAL 29 6.348 -1.903 -1.822 224 HB VAL 29 HB VAL 29 9.288 -1.705 -1.148 225 1HG1 VAL 29 1HG1 VAL 29 7.944 -2.651 0.659 226 2HG1 VAL 29 2HG1 VAL 29 7.267 -3.834 -0.459 227 3HG1 VAL 29 3HG1 VAL 29 8.987 -3.871 -0.072 228 1HG2 VAL 29 1HG2 VAL 29 8.040 -2.757 -3.450 229 2HG2 VAL 29 2HG2 VAL 29 9.733 -2.882 -2.975 230 3HG2 VAL 29 3HG2 VAL 29 8.586 -4.127 -2.482 231 H CYS 30 H CYS 30 8.661 0.561 -0.766 232 HA CYS 30 HA CYS 30 7.909 0.713 1.903 233 1HB CYS 30 1HB CYS 30 9.862 1.832 0.605 234 2HB CYS 30 2HB CYS 30 8.721 3.145 0.340 235 H ALA 31 H ALA 31 6.712 2.591 -0.871 236 HA ALA 31 HA ALA 31 4.870 4.146 0.590 237 1HB ALA 31 1HB ALA 31 4.615 3.433 -2.319 238 2HB ALA 31 2HB ALA 31 4.042 4.884 -1.498 239 3HB ALA 31 3HB ALA 31 5.772 4.619 -1.716 240 H ALA 32 H ALA 32 4.444 1.148 -1.277 241 HA ALA 32 HA ALA 32 1.646 0.974 -0.878 242 1HB ALA 32 1HB ALA 32 2.526 -0.234 -2.693 243 2HB ALA 32 2HB ALA 32 2.011 -1.453 -1.527 244 3HB ALA 32 3HB ALA 32 3.720 -1.045 -1.681 245 H LYS 33 H LYS 33 4.328 -0.776 0.679 246 HA LYS 33 HA LYS 33 2.968 -2.351 2.437 247 1HB LYS 33 1HB LYS 33 5.358 -2.505 2.256 248 2HB LYS 33 2HB LYS 33 5.560 -0.867 2.862 249 1HG LYS 33 1HG LYS 33 5.646 -1.600 4.946 250 2HG LYS 33 2HG LYS 33 4.091 -2.414 4.768 251 1HD LYS 33 1HD LYS 33 5.043 -4.432 4.390 252 2HD LYS 33 2HD LYS 33 6.397 -3.743 3.494 253 1HE LYS 33 1HE LYS 33 7.663 -3.448 5.362 254 2HE LYS 33 2HE LYS 33 6.262 -3.179 6.400 255 1HZ LYS 33 1HZ LYS 33 6.634 -5.853 5.274 256 2HZ LYS 33 2HZ LYS 33 7.669 -5.379 6.527 257 3HZ LYS 33 3HZ LYS 33 5.994 -5.391 6.770 258 H PHE 34 H PHE 34 4.086 0.964 3.135 259 HA PHE 34 HA PHE 34 2.691 1.016 5.605 260 1HB PHE 34 1HB PHE 34 4.355 2.868 4.108 261 2HB PHE 34 2HB PHE 34 3.243 3.599 5.247 262 HD1 PHE 34 HD1 PHE 34 3.234 1.892 7.515 263 HD2 PHE 34 HD2 PHE 34 6.486 2.854 4.944 264 HE1 PHE 34 HE1 PHE 34 4.814 1.404 9.337 265 HE2 PHE 34 HE2 PHE 34 8.072 2.367 6.760 266 HZ PHE 34 HZ PHE 34 7.237 1.642 8.961 267 H GLU 35 H GLU 35 1.737 1.628 2.405 268 HA GLU 35 HA GLU 35 -0.313 3.526 2.978 269 1HB GLU 35 1HB GLU 35 0.775 2.164 0.667 270 2HB GLU 35 2HB GLU 35 -0.982 2.190 0.615 271 1HG GLU 35 1HG GLU 35 -1.071 4.513 0.569 272 2HG GLU 35 2HG GLU 35 0.577 4.681 1.176 273 H SER 36 H SER 36 -0.356 0.067 2.177 274 HA SER 36 HA SER 36 -2.940 -0.158 3.581 275 1HB SER 36 1HB SER 36 -3.686 -1.709 1.759 276 2HB SER 36 2HB SER 36 -3.435 -0.054 1.209 277 HG SER 36 HG SER 36 -1.135 -1.321 0.958 278 H ASN 37 H ASN 37 0.142 -1.151 3.671 279 HA ASN 37 HA ASN 37 1.232 -2.955 4.556 280 1HB ASN 37 1HB ASN 37 -1.514 -3.208 5.714 281 2HB ASN 37 2HB ASN 37 -0.411 -4.571 5.887 282 2HD2 ASN 37 2HD2 ASN 37 -0.943 -1.202 6.641 283 1HD2 ASN 37 1HD2 ASN 37 0.180 -1.119 7.952 284 H PHE 38 H PHE 38 0.066 -2.962 1.934 285 HA PHE 38 HA PHE 38 -0.098 -4.212 0.114 286 1HB PHE 38 1HB PHE 38 0.939 -6.422 1.898 287 2HB PHE 38 2HB PHE 38 0.777 -6.527 0.150 288 HD1 PHE 38 HD1 PHE 38 1.701 -3.895 -0.718 289 HD2 PHE 38 HD2 PHE 38 3.223 -6.470 2.308 290 HE1 PHE 38 HE1 PHE 38 3.927 -2.890 -0.992 291 HE2 PHE 38 HE2 PHE 38 5.453 -5.468 2.039 292 HZ PHE 38 HZ PHE 38 5.809 -3.679 0.387 293 H ASN 39 H ASN 39 -2.317 -3.960 2.107 294 HA ASN 39 HA ASN 39 -3.821 -6.404 1.779 295 1HB ASN 39 1HB ASN 39 -4.118 -5.005 3.797 296 2HB ASN 39 2HB ASN 39 -4.710 -3.690 2.789 297 2HD2 ASN 39 2HD2 ASN 39 -6.529 -3.948 4.342 298 1HD2 ASN 39 1HD2 ASN 39 -7.787 -5.055 3.919 299 H THR 40 H THR 40 -4.617 -6.885 -0.125 300 HA THR 40 HA THR 40 -4.847 -5.066 -2.260 301 HB THR 40 HB THR 40 -5.359 -6.874 -3.562 302 HG1 THR 40 HG1 THR 40 -6.777 -8.035 -1.374 303 1HG2 THR 40 1HG2 THR 40 -3.702 -7.498 -1.376 304 2HG2 THR 40 2HG2 THR 40 -4.711 -8.914 -1.670 305 3HG2 THR 40 3HG2 THR 40 -3.723 -8.251 -2.971 306 H GLN 41 H GLN 41 -6.884 -5.853 0.323 307 HA GLN 41 HA GLN 41 -9.226 -4.721 -1.020 308 1HB GLN 41 1HB GLN 41 -8.770 -6.804 1.019 309 2HB GLN 41 2HB GLN 41 -10.178 -5.802 1.248 310 1HG GLN 41 1HG GLN 41 -11.300 -6.838 -0.374 311 2HG GLN 41 2HG GLN 41 -9.934 -6.727 -1.484 312 2HE2 GLN 41 2HE2 GLN 41 -10.182 -8.791 -2.273 313 1HE2 GLN 41 1HE2 GLN 41 -9.838 -10.201 -1.337 314 H ALA 42 H ALA 42 -6.785 -3.662 0.850 315 HA ALA 42 HA ALA 42 -8.027 -2.406 3.029 316 1HB ALA 42 1HB ALA 42 -5.423 -2.270 1.703 317 2HB ALA 42 2HB ALA 42 -5.828 -2.325 3.418 318 3HB ALA 42 3HB ALA 42 -5.904 -0.795 2.542 319 H THR 43 H THR 43 -9.237 -0.682 3.223 320 HA THR 43 HA THR 43 -9.330 1.294 1.037 321 HB THR 43 HB THR 43 -11.629 1.433 1.104 322 HG1 THR 43 HG1 THR 43 -12.487 1.675 3.015 323 1HG2 THR 43 1HG2 THR 43 -10.804 -0.942 0.541 324 2HG2 THR 43 2HG2 THR 43 -11.466 -1.390 2.113 325 3HG2 THR 43 3HG2 THR 43 -12.523 -0.716 0.871 326 H ASN 44 H ASN 44 -9.116 3.427 1.682 327 HA ASN 44 HA ASN 44 -9.256 3.972 4.572 328 1HB ASN 44 1HB ASN 44 -6.904 3.901 3.106 329 2HB ASN 44 2HB ASN 44 -7.298 5.616 3.168 330 2HD2 ASN 44 2HD2 ASN 44 -7.164 6.703 5.077 331 1HD2 ASN 44 1HD2 ASN 44 -6.522 6.012 6.525 332 H ARG 45 H ARG 45 -10.934 5.292 4.829 333 HA ARG 45 HA ARG 45 -11.725 7.146 2.757 334 1HB ARG 45 1HB ARG 45 -13.531 7.744 4.436 335 2HB ARG 45 2HB ARG 45 -13.528 6.084 3.857 336 1HG ARG 45 1HG ARG 45 -13.511 5.398 5.958 337 2HG ARG 45 2HG ARG 45 -11.908 6.110 6.147 338 1HD ARG 45 1HD ARG 45 -12.871 7.378 7.723 339 2HD ARG 45 2HD ARG 45 -13.521 8.298 6.367 340 HE ARG 45 HE ARG 45 -15.568 7.011 6.592 341 1HH1 ARG 45 1HH1 ARG 45 -13.308 6.846 9.239 342 2HH1 ARG 45 2HH1 ARG 45 -14.503 6.372 10.399 343 1HH2 ARG 45 1HH2 ARG 45 -17.147 6.387 8.112 344 2HH2 ARG 45 2HH2 ARG 45 -16.685 6.110 9.758 345 H ASN 46 H ASN 46 -11.203 9.225 2.632 346 HA ASN 46 HA ASN 46 -9.784 10.450 4.894 347 1HB ASN 46 1HB ASN 46 -9.838 11.562 2.102 348 2HB ASN 46 2HB ASN 46 -8.637 11.813 3.365 349 2HD2 ASN 46 2HD2 ASN 46 -9.242 10.270 0.534 350 1HD2 ASN 46 1HD2 ASN 46 -8.083 8.993 0.646 351 H THR 47 H THR 47 -10.022 12.986 4.738 352 HA THR 47 HA THR 47 -12.874 13.498 5.077 353 HB THR 47 HB THR 47 -12.126 15.649 6.101 354 HG1 THR 47 HG1 THR 47 -9.737 15.522 6.648 355 1HG2 THR 47 1HG2 THR 47 -11.351 12.966 7.117 356 2HG2 THR 47 2HG2 THR 47 -10.775 14.377 8.003 357 3HG2 THR 47 3HG2 THR 47 -12.504 14.131 7.767 358 H ASP 48 H ASP 48 -10.391 14.102 2.806 359 HA ASP 48 HA ASP 48 -11.292 16.564 1.743 360 1HB ASP 48 1HB ASP 48 -9.878 16.070 -0.162 361 2HB ASP 48 2HB ASP 48 -9.042 15.604 1.315 362 H GLY 49 H GLY 49 -12.651 13.487 1.668 363 1HA GLY 49 1HA GLY 49 -14.533 14.358 -0.420 364 2HA GLY 49 2HA GLY 49 -14.875 13.171 0.830 365 H SER 50 H SER 50 -12.709 11.496 0.600 366 HA SER 50 HA SER 50 -13.451 9.989 -1.722 367 1HB SER 50 1HB SER 50 -10.846 9.880 -2.325 368 2HB SER 50 2HB SER 50 -11.933 11.059 -3.057 369 HG SER 50 HG SER 50 -10.863 12.584 -2.095 370 H THR 51 H THR 51 -11.612 8.126 -1.930 371 HA THR 51 HA THR 51 -10.852 7.215 0.743 372 HB THR 51 HB THR 51 -12.236 5.232 -1.007 373 HG1 THR 51 HG1 THR 51 -14.069 6.073 0.627 374 1HG2 THR 51 1HG2 THR 51 -10.992 4.844 1.262 375 2HG2 THR 51 2HG2 THR 51 -12.486 5.467 1.961 376 3HG2 THR 51 3HG2 THR 51 -12.522 4.028 0.942 377 H ASP 52 H ASP 52 -9.612 5.110 0.604 378 HA ASP 52 HA ASP 52 -7.944 5.066 -1.828 379 1HB ASP 52 1HB ASP 52 -7.148 4.623 1.054 380 2HB ASP 52 2HB ASP 52 -6.093 4.302 -0.319 381 H TYR 53 H TYR 53 -9.283 3.472 -2.752 382 HA TYR 53 HA TYR 53 -9.407 0.910 -1.361 383 1HB TYR 53 1HB TYR 53 -10.574 1.623 -4.056 384 2HB TYR 53 2HB TYR 53 -10.933 0.204 -3.085 385 HD1 TYR 53 HD1 TYR 53 -11.948 0.701 -0.712 386 HD2 TYR 53 HD2 TYR 53 -12.011 3.429 -3.975 387 HE1 TYR 53 HE1 TYR 53 -13.862 1.862 0.303 388 HE2 TYR 53 HE2 TYR 53 -13.928 4.596 -2.971 389 HH TYR 53 HH TYR 53 -15.497 4.516 -1.365 390 H GLY 54 H GLY 54 -7.034 0.487 -1.564 391 1HA GLY 54 1HA GLY 54 -5.889 0.298 -4.155 392 2HA GLY 54 2HA GLY 54 -6.452 -1.274 -3.613 393 H ILE 55 H ILE 55 -4.182 -1.890 -3.750 394 HA ILE 55 HA ILE 55 -2.904 -1.830 -1.216 395 HB ILE 55 HB ILE 55 -2.579 -3.650 -2.925 396 1HG1 ILE 55 1HG1 ILE 55 0.025 -2.336 -2.130 397 2HG1 ILE 55 2HG1 ILE 55 -1.002 -3.213 -1.000 398 1HG2 ILE 55 1HG2 ILE 55 -1.832 -1.444 -4.547 399 2HG2 ILE 55 2HG2 ILE 55 -0.436 -2.511 -4.396 400 3HG2 ILE 55 3HG2 ILE 55 -1.969 -3.145 -4.995 401 1HD1 ILE 55 1HD1 ILE 55 -0.680 -4.980 -3.091 402 2HD1 ILE 55 2HD1 ILE 55 0.898 -4.207 -2.944 403 3HD1 ILE 55 3HD1 ILE 55 0.176 -5.009 -1.549 404 H LEU 56 H LEU 56 -2.846 0.109 -4.052 405 HA LEU 56 HA LEU 56 -0.669 1.765 -2.980 406 1HB LEU 56 1HB LEU 56 -1.211 0.812 -5.613 407 2HB LEU 56 2HB LEU 56 -1.427 2.551 -5.624 408 HG LEU 56 HG LEU 56 0.823 2.166 -6.267 409 1HD1 LEU 56 1HD1 LEU 56 0.358 3.892 -4.439 410 2HD1 LEU 56 2HD1 LEU 56 1.106 2.738 -3.334 411 3HD1 LEU 56 3HD1 LEU 56 2.030 3.389 -4.689 412 1HD2 LEU 56 1HD2 LEU 56 0.586 -0.100 -4.536 413 2HD2 LEU 56 2HD2 LEU 56 1.820 0.255 -5.745 414 3HD2 LEU 56 3HD2 LEU 56 2.015 0.832 -4.090 415 H GLN 57 H GLN 57 -3.794 1.537 -2.609 416 HA GLN 57 HA GLN 57 -5.417 2.948 -1.944 417 1HB GLN 57 1HB GLN 57 -3.356 5.114 -2.390 418 2HB GLN 57 2HB GLN 57 -4.901 5.330 -1.579 419 1HG GLN 57 1HG GLN 57 -4.080 3.485 0.014 420 2HG GLN 57 2HG GLN 57 -2.486 3.829 -0.656 421 2HE2 GLN 57 2HE2 GLN 57 -4.039 4.320 1.988 422 1HE2 GLN 57 1HE2 GLN 57 -3.613 5.947 2.381 423 H ILE 58 H ILE 58 -6.399 2.204 -4.059 424 HA ILE 58 HA ILE 58 -6.243 4.149 -6.195 425 HB ILE 58 HB ILE 58 -8.079 1.767 -6.108 426 1HG1 ILE 58 1HG1 ILE 58 -5.913 0.861 -5.607 427 2HG1 ILE 58 2HG1 ILE 58 -6.235 0.544 -7.309 428 1HG2 ILE 58 1HG2 ILE 58 -7.766 3.800 -7.937 429 2HG2 ILE 58 2HG2 ILE 58 -6.806 2.489 -8.620 430 3HG2 ILE 58 3HG2 ILE 58 -8.510 2.232 -8.246 431 1HD1 ILE 58 1HD1 ILE 58 -4.839 2.502 -7.887 432 2HD1 ILE 58 2HD1 ILE 58 -4.450 2.685 -6.177 433 3HD1 ILE 58 3HD1 ILE 58 -3.956 1.230 -7.042 434 H ASN 59 H ASN 59 -7.214 5.988 -5.483 435 HA ASN 59 HA ASN 59 -9.682 6.049 -4.103 436 1HB ASN 59 1HB ASN 59 -8.082 7.931 -4.073 437 2HB ASN 59 2HB ASN 59 -8.371 8.201 -5.789 438 2HD2 ASN 59 2HD2 ASN 59 -8.890 10.369 -4.943 439 1HD2 ASN 59 1HD2 ASN 59 -10.510 10.675 -4.430 440 H SER 60 H SER 60 -11.310 4.941 -5.093 441 HA SER 60 HA SER 60 -11.762 4.814 -7.850 442 1HB SER 60 1HB SER 60 -13.834 3.778 -7.321 443 2HB SER 60 2HB SER 60 -12.720 3.308 -6.037 444 HG SER 60 HG SER 60 -15.040 4.415 -5.724 445 H ARG 61 H ARG 61 -12.154 7.446 -5.781 446 HA ARG 61 HA ARG 61 -14.384 8.615 -7.228 447 1HB ARG 61 1HB ARG 61 -14.130 8.938 -4.777 448 2HB ARG 61 2HB ARG 61 -12.640 9.822 -5.073 449 1HG ARG 61 1HG ARG 61 -14.144 11.533 -4.829 450 2HG ARG 61 2HG ARG 61 -14.153 11.317 -6.579 451 1HD ARG 61 1HD ARG 61 -16.313 10.779 -6.574 452 2HD ARG 61 2HD ARG 61 -16.066 9.569 -5.315 453 HE ARG 61 HE ARG 61 -16.826 11.075 -3.764 454 1HH1 ARG 61 1HH1 ARG 61 -16.096 12.756 -6.727 455 2HH1 ARG 61 2HH1 ARG 61 -16.791 14.253 -6.200 456 1HH2 ARG 61 1HH2 ARG 61 -17.743 13.040 -3.062 457 2HH2 ARG 61 2HH2 ARG 61 -17.727 14.414 -4.117 458 H TRP 62 H TRP 62 -10.939 9.326 -6.696 459 HA TRP 62 HA TRP 62 -10.974 11.360 -8.765 460 1HB TRP 62 1HB TRP 62 -9.503 11.075 -6.479 461 2HB TRP 62 2HB TRP 62 -8.366 10.507 -7.697 462 HD1 TRP 62 HD1 TRP 62 -8.285 12.373 -9.941 463 HE1 TRP 62 HE1 TRP 62 -7.942 14.916 -9.746 464 HE3 TRP 62 HE3 TRP 62 -9.714 13.014 -5.074 465 HZ2 TRP 62 HZ2 TRP 62 -8.237 16.928 -7.788 466 HZ3 TRP 62 HZ3 TRP 62 -9.654 15.279 -4.117 467 HH2 TRP 62 HH2 TRP 62 -8.930 17.195 -5.446 468 H TRP 63 H TRP 63 -10.596 8.032 -8.622 469 HA TRP 63 HA TRP 63 -9.507 7.990 -11.339 470 1HB TRP 63 1HB TRP 63 -8.513 6.073 -9.217 471 2HB TRP 63 2HB TRP 63 -7.951 6.215 -10.877 472 HD1 TRP 63 HD1 TRP 63 -6.907 7.135 -7.522 473 HE1 TRP 63 HE1 TRP 63 -5.158 9.028 -7.582 474 HE3 TRP 63 HE3 TRP 63 -7.562 8.660 -12.329 475 HZ2 TRP 63 HZ2 TRP 63 -4.188 10.930 -9.449 476 HZ3 TRP 63 HZ3 TRP 63 -6.227 10.514 -13.185 477 HH2 TRP 63 HH2 TRP 63 -4.556 11.633 -11.781 478 H CYS 64 H CYS 64 -9.907 5.969 -12.435 479 HA CYS 64 HA CYS 64 -11.363 4.447 -13.244 480 1HB CYS 64 1HB CYS 64 -11.413 2.492 -12.021 481 2HB CYS 64 2HB CYS 64 -10.092 3.343 -11.234 482 H ASN 65 H ASN 65 -13.456 3.716 -13.497 483 HA ASN 65 HA ASN 65 -15.457 5.449 -12.236 484 1HB ASN 65 1HB ASN 65 -15.394 5.357 -14.707 485 2HB ASN 65 2HB ASN 65 -15.707 3.625 -14.641 486 2HD2 ASN 65 2HD2 ASN 65 -17.690 3.311 -15.349 487 1HD2 ASN 65 1HD2 ASN 65 -19.095 4.183 -14.849 488 H ASP 66 H ASP 66 -16.287 4.623 -10.426 489 HA ASP 66 HA ASP 66 -16.640 1.729 -10.193 490 1HB ASP 66 1HB ASP 66 -16.887 2.084 -7.826 491 2HB ASP 66 2HB ASP 66 -15.485 2.996 -8.377 492 H GLY 67 H GLY 67 -18.458 4.575 -10.776 493 1HA GLY 67 1HA GLY 67 -20.860 3.080 -11.133 494 2HA GLY 67 2HA GLY 67 -20.690 4.822 -11.274 495 H ARG 68 H ARG 68 -19.547 3.678 -8.304 496 HA ARG 68 HA ARG 68 -22.098 3.739 -6.946 497 1HB ARG 68 1HB ARG 68 -19.855 2.385 -6.414 498 2HB ARG 68 2HB ARG 68 -19.547 3.803 -5.421 499 1HG ARG 68 1HG ARG 68 -22.235 2.820 -5.043 500 2HG ARG 68 2HG ARG 68 -21.032 1.568 -4.727 501 1HD ARG 68 1HD ARG 68 -20.586 2.490 -2.759 502 2HD ARG 68 2HD ARG 68 -20.100 3.980 -3.567 503 HE ARG 68 HE ARG 68 -22.385 4.747 -3.348 504 1HH1 ARG 68 1HH1 ARG 68 -21.502 1.945 -1.476 505 2HH1 ARG 68 2HH1 ARG 68 -22.779 2.152 -0.324 506 1HH2 ARG 68 1HH2 ARG 68 -24.068 5.030 -1.835 507 2HH2 ARG 68 2HH2 ARG 68 -24.237 3.905 -0.528 508 H THR 69 H THR 69 -20.195 6.085 -8.158 509 HA THR 69 HA THR 69 -21.253 8.059 -6.290 510 HB THR 69 HB THR 69 -18.407 8.436 -7.105 511 HG1 THR 69 HG1 THR 69 -18.443 7.342 -4.678 512 1HG2 THR 69 1HG2 THR 69 -19.999 9.167 -4.643 513 2HG2 THR 69 2HG2 THR 69 -18.319 9.612 -4.945 514 3HG2 THR 69 3HG2 THR 69 -19.599 10.243 -5.982 515 HA PRO 70 HA PRO 70 -22.019 10.000 -10.228 516 1HB PRO 70 1HB PRO 70 -22.963 12.363 -9.298 517 2HB PRO 70 2HB PRO 70 -23.915 10.873 -9.260 518 1HG PRO 70 1HG PRO 70 -22.344 12.174 -7.067 519 2HG PRO 70 2HG PRO 70 -23.960 11.447 -7.006 520 1HD PRO 70 1HD PRO 70 -21.740 10.154 -6.140 521 2HD PRO 70 2HD PRO 70 -23.125 9.303 -6.854 522 H GLY 71 H GLY 71 -19.612 10.769 -8.053 523 1HA GLY 71 1HA GLY 71 -18.088 12.605 -7.998 524 2HA GLY 71 2HA GLY 71 -18.695 13.114 -9.567 525 H SER 72 H SER 72 -18.323 9.834 -9.684 526 HA SER 72 HA SER 72 -15.625 9.321 -9.879 527 1HB SER 72 1HB SER 72 -17.804 7.813 -10.238 528 2HB SER 72 2HB SER 72 -17.380 8.065 -11.931 529 HG SER 72 HG SER 72 -16.363 6.212 -11.086 530 H ARG 73 H ARG 73 -14.245 10.641 -10.891 531 HA ARG 73 HA ARG 73 -14.838 12.065 -13.273 532 1HB ARG 73 1HB ARG 73 -12.585 11.799 -11.439 533 2HB ARG 73 2HB ARG 73 -12.076 11.980 -13.112 534 1HG ARG 73 1HG ARG 73 -12.723 14.126 -13.211 535 2HG ARG 73 2HG ARG 73 -14.176 13.841 -12.250 536 1HD ARG 73 1HD ARG 73 -11.722 13.530 -10.716 537 2HD ARG 73 2HD ARG 73 -11.896 15.143 -11.408 538 HE ARG 73 HE ARG 73 -14.194 14.063 -9.984 539 1HH1 ARG 73 1HH1 ARG 73 -11.409 16.157 -9.960 540 2HH1 ARG 73 2HH1 ARG 73 -11.967 17.095 -8.614 541 1HH2 ARG 73 1HH2 ARG 73 -14.934 15.292 -8.212 542 2HH2 ARG 73 2HH2 ARG 73 -13.969 16.602 -7.621 543 H ASN 74 H ASN 74 -13.100 9.069 -12.601 544 HA ASN 74 HA ASN 74 -12.503 7.311 -13.936 545 1HB ASN 74 1HB ASN 74 -14.848 7.861 -14.945 546 2HB ASN 74 2HB ASN 74 -13.931 8.569 -16.271 547 2HD2 ASN 74 2HD2 ASN 74 -14.459 7.113 -17.818 548 1HD2 ASN 74 1HD2 ASN 74 -13.997 5.450 -17.774 549 H LEU 75 H LEU 75 -10.866 9.549 -13.609 550 HA LEU 75 HA LEU 75 -9.678 10.609 -15.899 551 1HB LEU 75 1HB LEU 75 -9.036 10.139 -13.067 552 2HB LEU 75 2HB LEU 75 -7.662 10.383 -14.116 553 HG LEU 75 HG LEU 75 -10.006 12.278 -13.771 554 1HD1 LEU 75 1HD1 LEU 75 -8.145 11.877 -11.906 555 2HD1 LEU 75 2HD1 LEU 75 -7.270 13.025 -12.920 556 3HD1 LEU 75 3HD1 LEU 75 -8.834 13.466 -12.236 557 1HD2 LEU 75 1HD2 LEU 75 -8.917 12.360 -16.001 558 2HD2 LEU 75 2HD2 LEU 75 -8.752 13.857 -15.084 559 3HD2 LEU 75 3HD2 LEU 75 -7.391 12.741 -15.205 560 H CYS 76 H CYS 76 -8.952 7.920 -13.912 561 HA CYS 76 HA CYS 76 -6.734 6.945 -15.394 562 1HB CYS 76 1HB CYS 76 -7.737 6.676 -12.893 563 2HB CYS 76 2HB CYS 76 -8.177 5.133 -13.614 564 H ASN 77 H ASN 77 -10.163 6.406 -15.312 565 HA ASN 77 HA ASN 77 -11.596 5.115 -16.541 566 1HB ASN 77 1HB ASN 77 -10.306 6.531 -18.320 567 2HB ASN 77 2HB ASN 77 -9.528 5.003 -18.720 568 2HD2 ASN 77 2HD2 ASN 77 -11.536 6.837 -20.075 569 1HD2 ASN 77 1HD2 ASN 77 -12.785 5.763 -20.598 570 H ILE 78 H ILE 78 -10.418 3.660 -14.734 571 HA ILE 78 HA ILE 78 -9.644 1.197 -16.123 572 HB ILE 78 HB ILE 78 -7.887 0.800 -14.777 573 1HG1 ILE 78 1HG1 ILE 78 -9.701 1.814 -12.659 574 2HG1 ILE 78 2HG1 ILE 78 -8.686 0.379 -12.675 575 1HG2 ILE 78 1HG2 ILE 78 -8.245 3.757 -14.342 576 2HG2 ILE 78 2HG2 ILE 78 -6.742 2.866 -14.104 577 3HG2 ILE 78 3HG2 ILE 78 -7.452 2.985 -15.714 578 1HD1 ILE 78 1HD1 ILE 78 -6.723 1.928 -12.333 579 2HD1 ILE 78 2HD1 ILE 78 -7.902 3.200 -12.023 580 3HD1 ILE 78 3HD1 ILE 78 -7.847 1.777 -10.983 581 HA PRO 79 HA PRO 79 -12.841 -0.761 -13.750 582 1HB PRO 79 1HB PRO 79 -11.483 -3.297 -13.677 583 2HB PRO 79 2HB PRO 79 -12.793 -2.801 -14.748 584 1HG PRO 79 1HG PRO 79 -10.215 -3.313 -15.572 585 2HG PRO 79 2HG PRO 79 -11.368 -2.296 -16.451 586 1HD PRO 79 1HD PRO 79 -9.115 -1.497 -14.656 587 2HD PRO 79 2HD PRO 79 -9.692 -0.734 -16.153 588 H CYS 80 H CYS 80 -12.893 -0.097 -11.660 589 HA CYS 80 HA CYS 80 -10.776 -0.165 -9.864 590 1HB CYS 80 1HB CYS 80 -13.599 -0.331 -8.884 591 2HB CYS 80 2HB CYS 80 -12.264 0.652 -8.288 592 H SER 81 H SER 81 -13.613 -2.351 -9.885 593 HA SER 81 HA SER 81 -12.743 -4.055 -7.873 594 1HB SER 81 1HB SER 81 -14.245 -5.767 -9.018 595 2HB SER 81 2HB SER 81 -14.999 -4.235 -8.579 596 HG SER 81 HG SER 81 -15.426 -3.946 -10.605 597 H ALA 82 H ALA 82 -11.586 -3.801 -11.122 598 HA ALA 82 HA ALA 82 -10.555 -6.447 -11.371 599 1HB ALA 82 1HB ALA 82 -11.015 -4.782 -13.241 600 2HB ALA 82 2HB ALA 82 -9.530 -5.726 -13.352 601 3HB ALA 82 3HB ALA 82 -9.470 -4.048 -12.813 602 H LEU 83 H LEU 83 -9.643 -3.892 -9.445 603 HA LEU 83 HA LEU 83 -6.825 -4.721 -9.347 604 1HB LEU 83 1HB LEU 83 -6.266 -2.646 -8.555 605 2HB LEU 83 2HB LEU 83 -7.657 -2.242 -9.540 606 HG LEU 83 HG LEU 83 -8.833 -2.686 -7.117 607 1HD1 LEU 83 1HD1 LEU 83 -6.037 -2.310 -6.612 608 2HD1 LEU 83 2HD1 LEU 83 -6.955 -0.955 -5.955 609 3HD1 LEU 83 3HD1 LEU 83 -7.349 -2.604 -5.471 610 1HD2 LEU 83 1HD2 LEU 83 -8.043 -0.384 -8.738 611 2HD2 LEU 83 2HD2 LEU 83 -9.587 -0.760 -7.974 612 3HD2 LEU 83 3HD2 LEU 83 -8.298 -0.009 -7.033 613 H LEU 84 H LEU 84 -9.748 -5.228 -7.811 614 HA LEU 84 HA LEU 84 -8.461 -5.866 -5.250 615 1HB LEU 84 1HB LEU 84 -11.418 -5.827 -5.579 616 2HB LEU 84 2HB LEU 84 -10.442 -5.395 -4.187 617 HG LEU 84 HG LEU 84 -10.291 -3.682 -6.619 618 1HD1 LEU 84 1HD1 LEU 84 -12.731 -4.230 -5.257 619 2HD1 LEU 84 2HD1 LEU 84 -12.237 -2.574 -4.905 620 3HD1 LEU 84 3HD1 LEU 84 -12.425 -3.101 -6.577 621 1HD2 LEU 84 1HD2 LEU 84 -10.124 -3.173 -3.653 622 2HD2 LEU 84 2HD2 LEU 84 -8.784 -3.217 -4.798 623 3HD2 LEU 84 3HD2 LEU 84 -9.987 -1.932 -4.899 624 H SER 85 H SER 85 -8.096 -7.601 -7.406 625 HA SER 85 HA SER 85 -9.624 -9.931 -6.479 626 1HB SER 85 1HB SER 85 -9.019 -10.714 -8.992 627 2HB SER 85 2HB SER 85 -10.524 -9.892 -8.584 628 HG SER 85 HG SER 85 -8.274 -8.347 -9.200 629 H SER 86 H SER 86 -7.223 -8.977 -5.530 630 HA SER 86 HA SER 86 -5.224 -9.760 -4.750 631 1HB SER 86 1HB SER 86 -5.747 -12.283 -6.344 632 2HB SER 86 2HB SER 86 -4.669 -12.093 -4.961 633 HG SER 86 HG SER 86 -7.491 -11.790 -4.894 634 H ASP 87 H ASP 87 -5.819 -8.471 -7.321 635 HA ASP 87 HA ASP 87 -3.326 -9.063 -8.763 636 1HB ASP 87 1HB ASP 87 -5.539 -9.691 -9.825 637 2HB ASP 87 2HB ASP 87 -5.887 -7.971 -9.903 638 H ILE 88 H ILE 88 -1.899 -7.408 -8.579 639 HA ILE 88 HA ILE 88 -2.827 -4.780 -7.810 640 HB ILE 88 HB ILE 88 -0.249 -4.317 -8.180 641 1HG1 ILE 88 1HG1 ILE 88 -0.039 -7.196 -7.406 642 2HG1 ILE 88 2HG1 ILE 88 -0.156 -6.789 -9.116 643 1HG2 ILE 88 1HG2 ILE 88 -1.887 -4.981 -6.010 644 2HG2 ILE 88 2HG2 ILE 88 -0.396 -5.900 -5.797 645 3HG2 ILE 88 3HG2 ILE 88 -0.333 -4.147 -5.975 646 1HD1 ILE 88 1HD1 ILE 88 1.811 -5.211 -7.633 647 2HD1 ILE 88 2HD1 ILE 88 2.153 -6.939 -7.702 648 3HD1 ILE 88 3HD1 ILE 88 1.941 -6.024 -9.193 649 H THR 89 H THR 89 -2.481 -6.402 -10.704 650 HA THR 89 HA THR 89 -1.243 -4.719 -12.461 651 HB THR 89 HB THR 89 -3.856 -6.094 -13.089 652 HG1 THR 89 HG1 THR 89 -1.374 -7.125 -12.435 653 1HG2 THR 89 1HG2 THR 89 -1.457 -5.331 -14.754 654 2HG2 THR 89 2HG2 THR 89 -2.771 -6.361 -15.323 655 3HG2 THR 89 3HG2 THR 89 -3.092 -4.684 -14.880 656 H ALA 90 H ALA 90 -4.753 -4.596 -11.745 657 HA ALA 90 HA ALA 90 -5.239 -2.298 -13.195 658 1HB ALA 90 1HB ALA 90 -6.703 -3.967 -11.335 659 2HB ALA 90 2HB ALA 90 -7.179 -2.271 -11.256 660 3HB ALA 90 3HB ALA 90 -7.255 -3.138 -12.791 661 H SER 91 H SER 91 -4.594 -2.672 -9.716 662 HA SER 91 HA SER 91 -4.894 0.043 -9.030 663 1HB SER 91 1HB SER 91 -2.923 -1.169 -7.354 664 2HB SER 91 2HB SER 91 -4.609 -0.813 -6.981 665 HG SER 91 HG SER 91 -3.604 -3.156 -8.230 666 H VAL 92 H VAL 92 -2.178 -1.774 -10.236 667 HA VAL 92 HA VAL 92 -0.326 0.361 -9.805 668 HB VAL 92 HB VAL 92 -0.055 -2.137 -11.471 669 1HG1 VAL 92 1HG1 VAL 92 1.884 0.141 -11.066 670 2HG1 VAL 92 2HG1 VAL 92 2.378 -1.457 -11.623 671 3HG1 VAL 92 3HG1 VAL 92 1.264 -0.492 -12.590 672 1HG2 VAL 92 1HG2 VAL 92 0.007 -2.026 -8.841 673 2HG2 VAL 92 2HG2 VAL 92 1.153 -3.028 -9.732 674 3HG2 VAL 92 3HG2 VAL 92 1.649 -1.448 -9.124 675 H ASN 93 H ASN 93 -1.939 -0.939 -12.709 676 HA ASN 93 HA ASN 93 -0.906 0.645 -14.595 677 1HB ASN 93 1HB ASN 93 -2.423 -0.440 -15.775 678 2HB ASN 93 2HB ASN 93 -3.201 -0.927 -14.292 679 2HD2 ASN 93 2HD2 ASN 93 -5.151 -0.124 -13.803 680 1HD2 ASN 93 1HD2 ASN 93 -5.964 1.105 -14.703 681 H CYS 94 H CYS 94 -3.378 1.462 -12.264 682 HA CYS 94 HA CYS 94 -3.952 4.036 -13.267 683 1HB CYS 94 1HB CYS 94 -5.172 2.541 -11.449 684 2HB CYS 94 2HB CYS 94 -4.179 3.490 -10.345 685 H ALA 95 H ALA 95 -1.777 2.925 -10.661 686 HA ALA 95 HA ALA 95 -0.818 5.556 -10.114 687 1HB ALA 95 1HB ALA 95 -0.335 4.359 -8.307 688 2HB ALA 95 2HB ALA 95 1.171 4.039 -9.166 689 3HB ALA 95 3HB ALA 95 -0.140 2.858 -9.212 690 H LYS 96 H LYS 96 0.247 2.980 -12.254 691 HA LYS 96 HA LYS 96 2.767 3.869 -12.943 692 1HB LYS 96 1HB LYS 96 1.071 1.904 -13.866 693 2HB LYS 96 2HB LYS 96 1.141 3.002 -15.237 694 1HG LYS 96 1HG LYS 96 3.495 2.768 -15.415 695 2HG LYS 96 2HG LYS 96 3.591 1.922 -13.869 696 1HD LYS 96 1HD LYS 96 3.655 0.116 -15.250 697 2HD LYS 96 2HD LYS 96 1.903 0.283 -15.120 698 1HE LYS 96 1HE LYS 96 1.686 1.097 -17.245 699 2HE LYS 96 2HE LYS 96 3.298 1.809 -17.254 700 1HZ LYS 96 1HZ LYS 96 4.213 -0.451 -17.425 701 2HZ LYS 96 2HZ LYS 96 2.645 -1.075 -17.522 702 3HZ LYS 96 3HZ LYS 96 3.228 -0.057 -18.742 703 H LYS 97 H LYS 97 -0.410 4.834 -13.840 704 HA LYS 97 HA LYS 97 0.389 6.886 -15.719 705 1HB LYS 97 1HB LYS 97 -2.214 5.905 -14.620 706 2HB LYS 97 2HB LYS 97 -2.154 7.507 -15.340 707 1HG LYS 97 1HG LYS 97 -0.886 6.008 -17.227 708 2HG LYS 97 2HG LYS 97 -2.083 4.872 -16.601 709 1HD LYS 97 1HD LYS 97 -3.865 6.442 -17.047 710 2HD LYS 97 2HD LYS 97 -2.700 7.669 -17.549 711 1HE LYS 97 1HE LYS 97 -3.542 6.759 -19.547 712 2HE LYS 97 2HE LYS 97 -1.956 6.019 -19.331 713 1HZ LYS 97 1HZ LYS 97 -4.528 4.746 -18.567 714 2HZ LYS 97 2HZ LYS 97 -3.684 4.425 -19.997 715 3HZ LYS 97 3HZ LYS 97 -2.995 4.035 -18.503 716 H ILE 98 H ILE 98 -0.440 6.598 -12.341 717 HA ILE 98 HA ILE 98 -0.863 9.304 -11.763 718 HB ILE 98 HB ILE 98 0.097 7.076 -9.996 719 1HG1 ILE 98 1HG1 ILE 98 -2.561 8.523 -10.137 720 2HG1 ILE 98 2HG1 ILE 98 -2.236 6.968 -10.894 721 1HG2 ILE 98 1HG2 ILE 98 -0.637 9.905 -9.253 722 2HG2 ILE 98 2HG2 ILE 98 -0.420 8.586 -8.103 723 3HG2 ILE 98 3HG2 ILE 98 0.942 9.141 -9.075 724 1HD1 ILE 98 1HD1 ILE 98 -1.601 6.200 -8.518 725 2HD1 ILE 98 2HD1 ILE 98 -2.474 7.640 -7.994 726 3HD1 ILE 98 3HD1 ILE 98 -3.305 6.396 -8.929 727 H VAL 99 H VAL 99 2.034 7.313 -11.524 728 HA VAL 99 HA VAL 99 3.735 9.497 -10.815 729 HB VAL 99 HB VAL 99 4.082 7.028 -10.238 730 1HG1 VAL 99 1HG1 VAL 99 4.108 6.699 -12.954 731 2HG1 VAL 99 2HG1 VAL 99 5.826 6.690 -12.554 732 3HG1 VAL 99 3HG1 VAL 99 4.734 5.543 -11.778 733 1HG2 VAL 99 1HG2 VAL 99 6.267 8.841 -11.216 734 2HG2 VAL 99 2HG2 VAL 99 5.707 8.591 -9.563 735 3HG2 VAL 99 3HG2 VAL 99 6.598 7.316 -10.395 736 H SER 100 H SER 100 2.590 8.173 -13.787 737 HA SER 100 HA SER 100 4.756 9.312 -15.357 738 1HB SER 100 1HB SER 100 3.558 7.145 -15.957 739 2HB SER 100 2HB SER 100 2.173 8.142 -16.401 740 HG SER 100 HG SER 100 4.608 8.906 -17.475 741 H ASP 101 H ASP 101 1.943 10.368 -13.921 742 HA ASP 101 HA ASP 101 1.423 12.453 -15.916 743 1HB ASP 101 1HB ASP 101 -0.182 11.079 -13.909 744 2HB ASP 101 2HB ASP 101 -0.371 12.828 -13.828 745 H GLY 102 H GLY 102 3.344 12.003 -13.271 746 1HA GLY 102 1HA GLY 102 3.419 14.907 -12.757 747 2HA GLY 102 2HA GLY 102 4.796 13.827 -12.614 748 H ASN 103 H ASN 103 3.887 11.797 -11.082 749 HA ASN 103 HA ASN 103 3.621 13.096 -8.502 750 1HB ASN 103 1HB ASN 103 1.521 11.275 -9.649 751 2HB ASN 103 2HB ASN 103 1.768 11.382 -7.908 752 2HD2 ASN 103 2HD2 ASN 103 2.139 13.904 -7.343 753 1HD2 ASN 103 1HD2 ASN 103 0.824 14.896 -7.864 754 H GLY 104 H GLY 104 5.527 12.302 -7.773 755 1HA GLY 104 1HA GLY 104 7.148 10.773 -7.171 756 2HA GLY 104 2HA GLY 104 6.387 9.614 -8.251 757 H MET 105 H MET 105 7.453 9.409 -5.457 758 HA MET 105 HA MET 105 5.298 7.813 -4.397 759 1HB MET 105 1HB MET 105 7.778 8.338 -2.830 760 2HB MET 105 2HB MET 105 6.882 6.840 -3.039 761 1HG MET 105 1HG MET 105 8.728 8.125 -5.037 762 2HG MET 105 2HG MET 105 9.039 6.670 -4.091 763 1HE MET 105 1HE MET 105 6.843 5.147 -3.895 764 2HE MET 105 2HE MET 105 5.468 5.585 -4.909 765 3HE MET 105 3HE MET 105 6.468 4.197 -5.334 766 H ASN 106 H ASN 106 6.071 11.001 -4.327 767 HA ASN 106 HA ASN 106 5.596 11.620 -1.585 768 1HB ASN 106 1HB ASN 106 5.226 13.649 -3.736 769 2HB ASN 106 2HB ASN 106 6.041 13.787 -2.186 770 2HD2 ASN 106 2HD2 ASN 106 6.598 13.931 -5.327 771 1HD2 ASN 106 1HD2 ASN 106 8.216 13.330 -5.402 772 H ALA 107 H ALA 107 3.621 11.372 -4.477 773 HA ALA 107 HA ALA 107 1.369 12.790 -3.773 774 1HB ALA 107 1HB ALA 107 1.831 11.515 -5.925 775 2HB ALA 107 2HB ALA 107 0.170 11.494 -5.332 776 3HB ALA 107 3HB ALA 107 1.211 10.091 -5.089 777 H TRP 108 H TRP 108 2.148 9.434 -2.953 778 HA TRP 108 HA TRP 108 -0.180 9.142 -1.297 779 1HB TRP 108 1HB TRP 108 2.243 7.357 -1.629 780 2HB TRP 108 2HB TRP 108 0.769 6.920 -0.767 781 HD1 TRP 108 HD1 TRP 108 -1.461 6.545 -2.269 782 HE1 TRP 108 HE1 TRP 108 -1.743 5.900 -4.744 783 HE3 TRP 108 HE3 TRP 108 3.257 7.604 -3.931 784 HZ2 TRP 108 HZ2 TRP 108 -0.175 5.848 -7.103 785 HZ3 TRP 108 HZ3 TRP 108 3.782 7.233 -6.304 786 HH2 TRP 108 HH2 TRP 108 2.104 6.371 -7.853 787 H VAL 109 H VAL 109 -0.368 9.446 0.812 788 HA VAL 109 HA VAL 109 1.621 10.917 2.214 789 HB VAL 109 HB VAL 109 -0.522 9.846 3.800 790 1HG1 VAL 109 1HG1 VAL 109 0.995 11.705 4.442 791 2HG1 VAL 109 2HG1 VAL 109 0.234 12.685 3.189 792 3HG1 VAL 109 3HG1 VAL 109 -0.719 12.107 4.556 793 1HG2 VAL 109 1HG2 VAL 109 -1.088 11.138 1.202 794 2HG2 VAL 109 2HG2 VAL 109 -2.024 9.938 2.092 795 3HG2 VAL 109 3HG2 VAL 109 -2.066 11.631 2.585 796 H ALA 110 H ALA 110 0.800 7.537 2.183 797 HA ALA 110 HA ALA 110 1.863 6.936 4.754 798 1HB ALA 110 1HB ALA 110 0.710 5.472 2.550 799 2HB ALA 110 2HB ALA 110 0.770 5.061 4.264 800 3HB ALA 110 3HB ALA 110 2.115 4.633 3.207 801 H TRP 111 H TRP 111 3.226 7.468 1.649 802 HA TRP 111 HA TRP 111 5.772 6.262 2.347 803 1HB TRP 111 1HB TRP 111 5.009 6.118 0.022 804 2HB TRP 111 2HB TRP 111 4.976 7.869 -0.094 805 HD1 TRP 111 HD1 TRP 111 7.264 4.918 -0.441 806 HE1 TRP 111 HE1 TRP 111 9.619 5.714 -1.109 807 HE3 TRP 111 HE3 TRP 111 6.672 9.943 0.313 808 HZ2 TRP 111 HZ2 TRP 111 11.039 8.146 -1.289 809 HZ3 TRP 111 HZ3 TRP 111 8.578 11.433 -0.131 810 HH2 TRP 111 HH2 TRP 111 10.716 10.553 -0.914 811 H ARG 112 H ARG 112 4.313 9.479 2.110 812 HA ARG 112 HA ARG 112 6.832 10.740 2.864 813 1HB ARG 112 1HB ARG 112 4.325 11.574 1.620 814 2HB ARG 112 2HB ARG 112 4.922 12.702 2.830 815 1HG ARG 112 1HG ARG 112 7.004 11.792 1.016 816 2HG ARG 112 2HG ARG 112 5.676 12.609 0.189 817 1HD ARG 112 1HD ARG 112 6.038 14.269 2.284 818 2HD ARG 112 2HD ARG 112 7.682 13.668 2.073 819 HE ARG 112 HE ARG 112 7.825 14.822 0.091 820 1HH1 ARG 112 1HH1 ARG 112 4.515 14.774 1.180 821 2HH1 ARG 112 2HH1 ARG 112 3.977 15.930 0.007 822 1HH2 ARG 112 1HH2 ARG 112 7.125 16.343 -1.457 823 2HH2 ARG 112 2HH2 ARG 112 5.461 16.821 -1.492 824 H ASN 113 H ASN 113 5.918 9.076 4.831 825 HA ASN 113 HA ASN 113 5.459 10.972 6.975 826 1HB ASN 113 1HB ASN 113 3.296 9.421 5.922 827 2HB ASN 113 2HB ASN 113 3.651 8.864 7.555 828 2HD2 ASN 113 2HD2 ASN 113 2.102 9.724 8.762 829 1HD2 ASN 113 1HD2 ASN 113 1.700 11.403 8.828 830 H ARG 114 H ARG 114 5.202 7.462 6.508 831 HA ARG 114 HA ARG 114 7.038 7.097 8.764 832 1HB ARG 114 1HB ARG 114 4.808 5.528 7.603 833 2HB ARG 114 2HB ARG 114 6.141 4.625 8.297 834 1HG ARG 114 1HG ARG 114 5.693 6.422 10.261 835 2HG ARG 114 2HG ARG 114 4.067 6.243 9.601 836 1HD ARG 114 1HD ARG 114 3.875 4.095 10.293 837 2HD ARG 114 2HD ARG 114 5.585 3.749 10.042 838 HE ARG 114 HE ARG 114 4.395 4.985 12.421 839 1HH1 ARG 114 1HH1 ARG 114 7.156 3.638 10.778 840 2HH1 ARG 114 2HH1 ARG 114 8.113 3.513 12.216 841 1HH2 ARG 114 1HH2 ARG 114 5.646 4.823 14.319 842 2HH2 ARG 114 2HH2 ARG 114 7.255 4.186 14.229 843 H CYS 115 H CYS 115 7.179 7.250 5.488 844 HA CYS 115 HA CYS 115 9.279 5.193 5.319 845 1HB CYS 115 1HB CYS 115 7.468 4.780 3.770 846 2HB CYS 115 2HB CYS 115 7.592 6.418 3.136 847 H LYS 116 H LYS 116 8.475 8.497 4.267 848 HA LYS 116 HA LYS 116 10.870 9.134 3.033 849 1HB LYS 116 1HB LYS 116 8.698 10.485 3.153 850 2HB LYS 116 2HB LYS 116 9.300 11.103 4.684 851 1HG LYS 116 1HG LYS 116 11.438 11.592 3.153 852 2HG LYS 116 2HG LYS 116 10.173 11.683 1.926 853 1HD LYS 116 1HD LYS 116 9.424 13.642 2.703 854 2HD LYS 116 2HD LYS 116 9.466 13.085 4.376 855 1HE LYS 116 1HE LYS 116 12.119 13.339 3.814 856 2HE LYS 116 2HE LYS 116 11.427 14.647 2.853 857 1HZ LYS 116 1HZ LYS 116 10.159 14.828 5.266 858 2HZ LYS 116 2HZ LYS 116 11.755 14.455 5.684 859 3HZ LYS 116 3HZ LYS 116 11.426 15.813 4.729 860 H GLY 117 H GLY 117 12.717 8.465 4.052 861 1HA GLY 117 1HA GLY 117 13.227 9.614 6.723 862 2HA GLY 117 2HA GLY 117 14.416 9.720 5.435 863 H THR 118 H THR 118 13.209 6.809 4.821 864 HA THR 118 HA THR 118 14.961 5.459 6.767 865 HB THR 118 HB THR 118 13.589 3.435 6.424 866 HG1 THR 118 HG1 THR 118 11.393 4.164 5.406 867 1HG2 THR 118 1HG2 THR 118 13.097 5.157 8.219 868 2HG2 THR 118 2HG2 THR 118 11.798 5.738 7.177 869 3HG2 THR 118 3HG2 THR 118 11.764 4.085 7.791 870 H ASP 119 H ASP 119 14.607 2.939 5.198 871 HA ASP 119 HA ASP 119 16.194 3.583 2.827 872 1HB ASP 119 1HB ASP 119 17.451 2.719 4.936 873 2HB ASP 119 2HB ASP 119 16.877 1.180 4.338 874 H VAL 120 H VAL 120 14.844 3.051 1.229 875 HA VAL 120 HA VAL 120 12.997 0.897 1.356 876 HB VAL 120 HB VAL 120 12.613 1.361 -1.045 877 1HG1 VAL 120 1HG1 VAL 120 11.573 2.680 0.862 878 2HG1 VAL 120 2HG1 VAL 120 12.726 3.954 0.467 879 3HG1 VAL 120 3HG1 VAL 120 11.543 3.433 -0.732 880 1HG2 VAL 120 1HG2 VAL 120 14.982 1.974 -1.551 881 2HG2 VAL 120 2HG2 VAL 120 13.788 3.100 -2.198 882 3HG2 VAL 120 3HG2 VAL 120 14.697 3.518 -0.745 883 H GLN 121 H GLN 121 16.203 1.347 -0.032 884 HA GLN 121 HA GLN 121 16.335 -1.005 -1.554 885 1HB GLN 121 1HB GLN 121 18.051 1.094 -0.987 886 2HB GLN 121 2HB GLN 121 18.852 -0.288 -0.252 887 1HG GLN 121 1HG GLN 121 19.737 -0.508 -2.301 888 2HG GLN 121 2HG GLN 121 18.223 -1.350 -2.630 889 2HE2 GLN 121 2HE2 GLN 121 19.444 1.984 -2.531 890 1HE2 GLN 121 1HE2 GLN 121 18.685 2.487 -4.000 891 H ALA 122 H ALA 122 16.397 -0.425 1.818 892 HA ALA 122 HA ALA 122 17.520 -3.029 2.470 893 1HB ALA 122 1HB ALA 122 17.155 -0.517 3.855 894 2HB ALA 122 2HB ALA 122 16.575 -1.877 4.816 895 3HB ALA 122 3HB ALA 122 18.236 -1.861 4.226 896 H TRP 123 H TRP 123 14.454 -1.507 2.024 897 HA TRP 123 HA TRP 123 12.851 -3.111 3.687 898 1HB TRP 123 1HB TRP 123 12.380 -1.417 1.292 899 2HB TRP 123 2HB TRP 123 11.130 -2.586 1.705 900 HD1 TRP 123 HD1 TRP 123 11.665 0.864 2.182 901 HE1 TRP 123 HE1 TRP 123 10.635 1.757 4.367 902 HE3 TRP 123 HE3 TRP 123 10.969 -3.539 4.649 903 HZ2 TRP 123 HZ2 TRP 123 9.670 0.693 6.787 904 HZ3 TRP 123 HZ3 TRP 123 9.990 -3.526 6.885 905 HH2 TRP 123 HH2 TRP 123 9.347 -1.429 7.943 906 H ILE 124 H ILE 124 14.600 -3.934 0.893 907 HA ILE 124 HA ILE 124 13.153 -6.494 0.735 908 HB ILE 124 HB ILE 124 13.822 -6.537 -1.712 909 1HG1 ILE 124 1HG1 ILE 124 13.703 -3.720 -2.129 910 2HG1 ILE 124 2HG1 ILE 124 14.982 -4.040 -0.962 911 1HG2 ILE 124 1HG2 ILE 124 11.651 -5.069 -0.415 912 2HG2 ILE 124 2HG2 ILE 124 11.925 -4.619 -2.098 913 3HG2 ILE 124 3HG2 ILE 124 11.596 -6.300 -1.677 914 1HD1 ILE 124 1HD1 ILE 124 15.215 -5.934 -3.055 915 2HD1 ILE 124 2HD1 ILE 124 15.037 -4.333 -3.773 916 3HD1 ILE 124 3HD1 ILE 124 16.324 -4.638 -2.607 917 H ARG 125 H ARG 125 15.570 -5.695 2.202 918 HA ARG 125 HA ARG 125 17.875 -6.677 0.884 919 1HB ARG 125 1HB ARG 125 18.877 -6.751 3.164 920 2HB ARG 125 2HB ARG 125 18.140 -5.207 2.764 921 1HG ARG 125 1HG ARG 125 16.771 -5.323 4.504 922 2HG ARG 125 2HG ARG 125 16.247 -6.950 4.067 923 1HD ARG 125 1HD ARG 125 17.961 -7.958 5.299 924 2HD ARG 125 2HD ARG 125 18.898 -6.467 5.385 925 HE ARG 125 HE ARG 125 16.746 -7.272 7.122 926 1HH1 ARG 125 1HH1 ARG 125 18.606 -4.595 5.893 927 2HH1 ARG 125 2HH1 ARG 125 18.265 -3.569 7.245 928 1HH2 ARG 125 1HH2 ARG 125 16.290 -5.929 8.906 929 2HH2 ARG 125 2HH2 ARG 125 16.948 -4.327 8.958 930 H GLY 126 H GLY 126 17.149 -8.668 -0.050 931 1HA GLY 126 1HA GLY 126 16.908 -10.864 1.911 932 2HA GLY 126 2HA GLY 126 17.970 -10.984 0.518 933 H CYS 127 H CYS 127 15.388 -9.310 -0.594 934 HA CYS 127 HA CYS 127 13.397 -11.263 -0.843 935 1HB CYS 127 1HB CYS 127 13.969 -8.677 -2.046 936 2HB CYS 127 2HB CYS 127 12.877 -9.709 -2.945 937 H ARG 128 H ARG 128 12.657 -11.605 -3.365 938 HA ARG 128 HA ARG 128 14.946 -12.640 -4.865 939 1HB ARG 128 1HB ARG 128 13.080 -14.266 -3.417 940 2HB ARG 128 2HB ARG 128 12.877 -14.555 -5.140 941 1HG ARG 128 1HG ARG 128 15.670 -14.494 -4.377 942 2HG ARG 128 2HG ARG 128 14.759 -15.710 -3.481 943 1HD ARG 128 1HD ARG 128 14.040 -15.692 -6.283 944 2HD ARG 128 2HD ARG 128 15.772 -15.938 -6.063 945 HE ARG 128 HE ARG 128 15.334 -17.955 -4.978 946 1HH1 ARG 128 1HH1 ARG 128 12.389 -16.303 -5.836 947 2HH1 ARG 128 2HH1 ARG 128 11.385 -17.691 -5.583 948 1HH2 ARG 128 1HH2 ARG 128 14.021 -19.787 -4.643 949 2HH2 ARG 128 2HH2 ARG 128 12.312 -19.672 -4.905 950 H LEU 129 H LEU 129 14.575 -10.961 -6.346 951 HA LEU 129 HA LEU 129 12.262 -11.423 -8.098 952 1HB LEU 129 1HB LEU 129 12.181 -8.934 -8.470 953 2HB LEU 129 2HB LEU 129 11.622 -9.489 -6.903 954 HG LEU 129 HG LEU 129 14.287 -8.958 -6.439 955 1HD1 LEU 129 1HD1 LEU 129 13.990 -7.824 -8.830 956 2HD1 LEU 129 2HD1 LEU 129 13.384 -6.506 -7.828 957 3HD1 LEU 129 3HD1 LEU 129 15.012 -7.132 -7.570 958 1HD2 LEU 129 1HD2 LEU 129 11.724 -8.007 -5.645 959 2HD2 LEU 129 2HD2 LEU 129 13.249 -7.944 -4.762 960 3HD2 LEU 129 3HD2 LEU 129 12.801 -6.625 -5.845 No H/Q in entry = 960 Start of MODEL 34 1 H1 LYS 1 H1 LYS 1 -6.525 -9.934 2.630 2 H2 LYS 1 H2 LYS 1 -7.586 -11.053 1.933 3 H3 LYS 1 H3 LYS 1 -6.764 -11.442 3.360 4 HA LYS 1 HA LYS 1 -5.040 -12.226 2.259 5 1HB LYS 1 1HB LYS 1 -7.223 -12.303 0.550 6 2HB LYS 1 2HB LYS 1 -5.945 -11.630 -0.452 7 1HG LYS 1 1HG LYS 1 -4.528 -13.598 0.403 8 2HG LYS 1 2HG LYS 1 -6.072 -14.299 0.892 9 1HD LYS 1 1HD LYS 1 -6.454 -14.969 -1.192 10 2HD LYS 1 2HD LYS 1 -6.313 -13.308 -1.772 11 1HE LYS 1 1HE LYS 1 -4.388 -13.802 -2.760 12 2HE LYS 1 2HE LYS 1 -3.703 -14.289 -1.211 13 1HZ LYS 1 1HZ LYS 1 -5.382 -16.096 -2.851 14 2HZ LYS 1 2HZ LYS 1 -3.699 -16.019 -3.014 15 3HZ LYS 1 3HZ LYS 1 -4.386 -16.501 -1.546 16 H VAL 2 H VAL 2 -3.518 -10.667 2.871 17 HA VAL 2 HA VAL 2 -3.087 -8.333 1.211 18 HB VAL 2 HB VAL 2 -1.698 -9.393 3.671 19 1HG1 VAL 2 1HG1 VAL 2 -0.290 -8.057 1.832 20 2HG1 VAL 2 2HG1 VAL 2 -1.027 -6.691 2.666 21 3HG1 VAL 2 3HG1 VAL 2 -0.039 -7.842 3.564 22 1HG2 VAL 2 1HG2 VAL 2 -4.003 -7.990 3.445 23 2HG2 VAL 2 2HG2 VAL 2 -2.933 -7.926 4.846 24 3HG2 VAL 2 3HG2 VAL 2 -2.829 -6.684 3.599 25 H PHE 3 H PHE 3 -1.144 -7.906 0.037 26 HA PHE 3 HA PHE 3 -0.096 -10.132 -1.382 27 1HB PHE 3 1HB PHE 3 0.298 -7.177 -1.396 28 2HB PHE 3 2HB PHE 3 1.566 -8.167 -2.099 29 HD1 PHE 3 HD1 PHE 3 0.919 -9.787 -3.947 30 HD2 PHE 3 HD2 PHE 3 -1.605 -6.643 -2.595 31 HE1 PHE 3 HE1 PHE 3 -0.337 -9.890 -6.059 32 HE2 PHE 3 HE2 PHE 3 -2.863 -6.736 -4.702 33 HZ PHE 3 HZ PHE 3 -2.228 -8.362 -6.440 34 H GLY 4 H GLY 4 2.250 -10.398 -1.669 35 1HA GLY 4 1HA GLY 4 4.067 -11.410 -0.538 36 2HA GLY 4 2HA GLY 4 3.567 -10.585 0.937 37 H ARG 5 H ARG 5 5.647 -9.752 1.341 38 HA ARG 5 HA ARG 5 6.182 -7.210 0.391 39 1HB ARG 5 1HB ARG 5 8.597 -7.742 1.213 40 2HB ARG 5 2HB ARG 5 7.278 -7.706 2.375 41 1HG ARG 5 1HG ARG 5 7.115 -10.207 2.086 42 2HG ARG 5 2HG ARG 5 8.633 -10.112 1.191 43 1HD ARG 5 1HD ARG 5 9.806 -9.305 3.081 44 2HD ARG 5 2HD ARG 5 8.312 -8.990 3.963 45 HE ARG 5 HE ARG 5 8.022 -11.414 4.118 46 1HH1 ARG 5 1HH1 ARG 5 11.184 -10.201 3.298 47 2HH1 ARG 5 2HH1 ARG 5 12.013 -11.616 3.854 48 1HH2 ARG 5 1HH2 ARG 5 9.105 -13.281 4.852 49 2HH2 ARG 5 2HH2 ARG 5 10.831 -13.367 4.737 50 H CYS 6 H CYS 6 8.000 -10.157 -0.495 51 HA CYS 6 HA CYS 6 9.149 -8.752 -2.737 52 1HB CYS 6 1HB CYS 6 9.413 -11.706 -2.398 53 2HB CYS 6 2HB CYS 6 10.568 -10.528 -3.011 54 H GLU 7 H GLU 7 6.674 -11.189 -2.177 55 HA GLU 7 HA GLU 7 6.228 -12.147 -4.714 56 1HB GLU 7 1HB GLU 7 4.062 -11.285 -2.782 57 2HB GLU 7 2HB GLU 7 3.883 -12.441 -4.094 58 1HG GLU 7 1HG GLU 7 5.781 -12.844 -1.801 59 2HG GLU 7 2HG GLU 7 4.110 -13.410 -1.787 60 H LEU 8 H LEU 8 4.956 -9.170 -3.286 61 HA LEU 8 HA LEU 8 3.749 -8.254 -5.685 62 1HB LEU 8 1HB LEU 8 2.879 -7.299 -3.722 63 2HB LEU 8 2HB LEU 8 4.472 -6.907 -3.100 64 HG LEU 8 HG LEU 8 4.300 -5.471 -5.480 65 1HD1 LEU 8 1HD1 LEU 8 1.703 -6.104 -4.855 66 2HD1 LEU 8 2HD1 LEU 8 1.911 -4.505 -4.139 67 3HD1 LEU 8 3HD1 LEU 8 2.231 -4.751 -5.856 68 1HD2 LEU 8 1HD2 LEU 8 4.627 -5.006 -2.683 69 2HD2 LEU 8 2HD2 LEU 8 5.182 -4.035 -4.047 70 3HD2 LEU 8 3HD2 LEU 8 3.579 -3.763 -3.365 71 H ALA 9 H ALA 9 6.946 -7.746 -4.165 72 HA ALA 9 HA ALA 9 7.821 -5.689 -5.849 73 1HB ALA 9 1HB ALA 9 10.078 -7.218 -5.337 74 2HB ALA 9 2HB ALA 9 9.480 -5.852 -4.395 75 3HB ALA 9 3HB ALA 9 9.018 -7.496 -3.954 76 H ALA 10 H ALA 10 8.285 -9.211 -6.207 77 HA ALA 10 HA ALA 10 9.646 -9.211 -8.610 78 1HB ALA 10 1HB ALA 10 9.059 -11.468 -8.828 79 2HB ALA 10 2HB ALA 10 7.516 -11.241 -8.005 80 3HB ALA 10 3HB ALA 10 9.021 -11.190 -7.087 81 H ALA 11 H ALA 11 6.202 -8.930 -7.918 82 HA ALA 11 HA ALA 11 5.329 -9.004 -10.593 83 1HB ALA 11 1HB ALA 11 4.041 -7.775 -8.176 84 2HB ALA 11 2HB ALA 11 3.755 -9.394 -8.813 85 3HB ALA 11 3HB ALA 11 3.245 -7.981 -9.736 86 H MET 12 H MET 12 6.330 -6.474 -8.498 87 HA MET 12 HA MET 12 5.659 -4.234 -10.028 88 1HB MET 12 1HB MET 12 8.202 -4.404 -8.433 89 2HB MET 12 2HB MET 12 7.215 -2.994 -8.732 90 1HG MET 12 1HG MET 12 6.443 -5.330 -7.019 91 2HG MET 12 2HG MET 12 7.014 -3.769 -6.441 92 1HE MET 12 1HE MET 12 5.963 -1.773 -8.116 93 2HE MET 12 2HE MET 12 4.240 -1.440 -7.953 94 3HE MET 12 3HE MET 12 5.276 -1.434 -6.528 95 H LYS 13 H LYS 13 8.715 -6.047 -9.924 96 HA LYS 13 HA LYS 13 10.125 -4.645 -11.848 97 1HB LYS 13 1HB LYS 13 10.580 -6.902 -10.352 98 2HB LYS 13 2HB LYS 13 10.499 -7.556 -11.982 99 1HG LYS 13 1HG LYS 13 12.189 -5.159 -11.478 100 2HG LYS 13 2HG LYS 13 12.768 -6.745 -10.965 101 1HD LYS 13 1HD LYS 13 11.985 -7.361 -13.445 102 2HD LYS 13 2HD LYS 13 12.359 -5.654 -13.689 103 1HE LYS 13 1HE LYS 13 14.599 -6.014 -12.780 104 2HE LYS 13 2HE LYS 13 14.224 -7.716 -12.517 105 1HZ LYS 13 1HZ LYS 13 13.647 -7.440 -15.113 106 2HZ LYS 13 2HZ LYS 13 14.917 -6.332 -14.963 107 3HZ LYS 13 3HZ LYS 13 15.150 -7.951 -14.531 108 H ARG 14 H ARG 14 7.856 -7.326 -12.229 109 HA ARG 14 HA ARG 14 8.125 -7.588 -15.023 110 1HB ARG 14 1HB ARG 14 6.199 -8.498 -12.958 111 2HB ARG 14 2HB ARG 14 5.603 -8.450 -14.612 112 1HG ARG 14 1HG ARG 14 7.181 -10.019 -15.345 113 2HG ARG 14 2HG ARG 14 8.170 -9.826 -13.898 114 1HD ARG 14 1HD ARG 14 7.074 -11.855 -13.556 115 2HD ARG 14 2HD ARG 14 6.122 -10.700 -12.623 116 HE ARG 14 HE ARG 14 4.392 -10.893 -14.181 117 1HH1 ARG 14 1HH1 ARG 14 7.155 -12.818 -15.079 118 2HH1 ARG 14 2HH1 ARG 14 6.284 -13.756 -16.246 119 1HH2 ARG 14 1HH2 ARG 14 3.238 -12.124 -15.716 120 2HH2 ARG 14 2HH2 ARG 14 4.058 -13.361 -16.608 121 H HIS 15 H HIS 15 5.947 -5.663 -12.976 122 HA HIS 15 HA HIS 15 4.468 -4.633 -15.173 123 1HB HIS 15 1HB HIS 15 4.572 -4.170 -12.231 124 2HB HIS 15 2HB HIS 15 3.808 -2.943 -13.237 125 HD1 HIS 15 HD1 HIS 15 2.468 -5.036 -11.131 126 HD2 HIS 15 HD2 HIS 15 2.283 -5.114 -15.281 127 HE1 HIS 15 HE1 HIS 15 0.397 -6.347 -11.686 128 HE2 HIS 15 HE2 HIS 15 0.354 -6.458 -14.204 129 H GLY 16 H GLY 16 7.615 -3.942 -14.189 130 1HA GLY 16 1HA GLY 16 7.616 -1.613 -15.835 131 2HA GLY 16 2HA GLY 16 8.999 -2.374 -15.082 132 H LEU 17 H LEU 17 7.547 -2.041 -12.318 133 HA LEU 17 HA LEU 17 7.650 0.849 -12.152 134 1HB LEU 17 1HB LEU 17 7.302 -0.928 -9.778 135 2HB LEU 17 2HB LEU 17 6.723 0.704 -10.017 136 HG LEU 17 HG LEU 17 5.483 -1.867 -10.714 137 1HD1 LEU 17 1HD1 LEU 17 4.862 0.188 -9.097 138 2HD1 LEU 17 2HD1 LEU 17 3.959 0.654 -10.538 139 3HD1 LEU 17 3HD1 LEU 17 3.662 -0.910 -9.781 140 1HD2 LEU 17 1HD2 LEU 17 5.556 0.417 -12.650 141 2HD2 LEU 17 2HD2 LEU 17 5.617 -1.318 -12.961 142 3HD2 LEU 17 3HD2 LEU 17 4.094 -0.559 -12.496 143 H ASP 18 H ASP 18 9.819 -1.589 -11.987 144 HA ASP 18 HA ASP 18 11.463 -0.639 -9.856 145 1HB ASP 18 1HB ASP 18 11.921 -2.850 -10.239 146 2HB ASP 18 2HB ASP 18 11.747 -2.705 -11.977 147 H ASN 19 H ASN 19 11.904 1.461 -10.099 148 HA ASN 19 HA ASN 19 13.056 3.314 -10.699 149 1HB ASN 19 1HB ASN 19 14.891 1.443 -11.008 150 2HB ASN 19 2HB ASN 19 14.672 1.800 -12.719 151 2HD2 ASN 19 2HD2 ASN 19 15.656 3.077 -9.626 152 1HD2 ASN 19 1HD2 ASN 19 16.529 4.434 -10.243 153 H TYR 20 H TYR 20 10.672 2.642 -11.979 154 HA TYR 20 HA TYR 20 10.836 3.191 -14.777 155 1HB TYR 20 1HB TYR 20 8.863 2.103 -13.659 156 2HB TYR 20 2HB TYR 20 8.487 3.651 -12.914 157 HD1 TYR 20 HD1 TYR 20 8.992 2.087 -16.264 158 HD2 TYR 20 HD2 TYR 20 7.054 5.121 -13.998 159 HE1 TYR 20 HE1 TYR 20 7.672 2.712 -18.241 160 HE2 TYR 20 HE2 TYR 20 5.727 5.754 -15.968 161 HH TYR 20 HH TYR 20 6.274 5.390 -18.749 162 H ARG 21 H ARG 21 9.872 5.276 -15.695 163 HA ARG 21 HA ARG 21 11.259 7.448 -15.423 164 1HB ARG 21 1HB ARG 21 8.654 6.988 -16.319 165 2HB ARG 21 2HB ARG 21 8.512 8.358 -15.225 166 1HG ARG 21 1HG ARG 21 9.457 9.744 -16.684 167 2HG ARG 21 2HG ARG 21 10.771 8.617 -17.027 168 1HD ARG 21 1HD ARG 21 7.993 8.370 -18.169 169 2HD ARG 21 2HD ARG 21 9.327 9.177 -18.993 170 HE ARG 21 HE ARG 21 10.267 6.676 -18.351 171 1HH1 ARG 21 1HH1 ARG 21 7.613 7.963 -20.206 172 2HH1 ARG 21 2HH1 ARG 21 7.567 6.628 -21.308 173 1HH2 ARG 21 1HH2 ARG 21 10.215 4.915 -19.798 174 2HH2 ARG 21 2HH2 ARG 21 9.046 4.896 -21.076 175 H GLY 22 H GLY 22 8.898 6.449 -13.043 176 1HA GLY 22 1HA GLY 22 8.312 7.347 -10.991 177 2HA GLY 22 2HA GLY 22 9.278 8.765 -11.367 178 H TYR 23 H TYR 23 9.228 5.642 -9.856 179 HA TYR 23 HA TYR 23 12.012 6.038 -9.014 180 1HB TYR 23 1HB TYR 23 9.625 5.558 -7.253 181 2HB TYR 23 2HB TYR 23 11.275 5.300 -6.700 182 HD1 TYR 23 HD1 TYR 23 8.959 7.867 -8.041 183 HD2 TYR 23 HD2 TYR 23 12.587 7.113 -5.951 184 HE1 TYR 23 HE1 TYR 23 9.123 10.254 -7.479 185 HE2 TYR 23 HE2 TYR 23 12.761 9.499 -5.383 186 HH TYR 23 HH TYR 23 11.386 11.452 -5.187 187 H SER 24 H SER 24 12.667 4.153 -7.477 188 HA SER 24 HA SER 24 12.566 1.783 -9.116 189 1HB SER 24 1HB SER 24 14.411 0.995 -7.811 190 2HB SER 24 2HB SER 24 14.693 2.701 -8.153 191 HG SER 24 HG SER 24 14.839 1.690 -5.847 192 H LEU 25 H LEU 25 12.552 -0.347 -7.986 193 HA LEU 25 HA LEU 25 10.117 -1.061 -7.076 194 1HB LEU 25 1HB LEU 25 12.798 -2.199 -7.031 195 2HB LEU 25 2HB LEU 25 11.776 -2.815 -5.745 196 HG LEU 25 HG LEU 25 10.679 -2.758 -8.503 197 1HD1 LEU 25 1HD1 LEU 25 13.154 -3.934 -7.991 198 2HD1 LEU 25 2HD1 LEU 25 11.994 -5.261 -7.957 199 3HD1 LEU 25 3HD1 LEU 25 12.102 -4.221 -9.377 200 1HD2 LEU 25 1HD2 LEU 25 10.387 -4.451 -6.041 201 2HD2 LEU 25 2HD2 LEU 25 9.163 -3.494 -6.875 202 3HD2 LEU 25 3HD2 LEU 25 9.774 -4.976 -7.609 203 H GLY 26 H GLY 26 12.901 -0.592 -4.872 204 1HA GLY 26 1HA GLY 26 12.966 0.238 -2.724 205 2HA GLY 26 2HA GLY 26 11.746 -0.994 -2.462 206 H ASN 27 H ASN 27 11.392 1.960 -4.375 207 HA ASN 27 HA ASN 27 10.071 3.440 -2.348 208 1HB ASN 27 1HB ASN 27 9.754 3.878 -5.313 209 2HB ASN 27 2HB ASN 27 9.619 5.066 -4.020 210 2HD2 ASN 27 2HD2 ASN 27 11.507 5.769 -2.963 211 1HD2 ASN 27 1HD2 ASN 27 13.057 5.624 -3.713 212 H TRP 28 H TRP 28 8.952 1.233 -4.821 213 HA TRP 28 HA TRP 28 6.176 1.851 -4.549 214 1HB TRP 28 1HB TRP 28 7.569 -0.545 -5.737 215 2HB TRP 28 2HB TRP 28 5.839 -0.217 -5.863 216 HD1 TRP 28 HD1 TRP 28 9.138 0.694 -7.373 217 HE1 TRP 28 HE1 TRP 28 8.799 2.426 -9.232 218 HE3 TRP 28 HE3 TRP 28 4.224 1.783 -6.555 219 HZ2 TRP 28 HZ2 TRP 28 6.700 4.031 -10.257 220 HZ3 TRP 28 HZ3 TRP 28 3.104 3.414 -8.013 221 HH2 TRP 28 HH2 TRP 28 4.322 4.520 -9.831 222 H VAL 29 H VAL 29 8.340 -0.568 -3.127 223 HA VAL 29 HA VAL 29 6.279 -2.015 -1.827 224 HB VAL 29 HB VAL 29 9.218 -1.850 -1.148 225 1HG1 VAL 29 1HG1 VAL 29 7.279 -2.923 0.400 226 2HG1 VAL 29 2HG1 VAL 29 7.712 -4.312 -0.597 227 3HG1 VAL 29 3HG1 VAL 29 8.948 -3.493 0.360 228 1HG2 VAL 29 1HG2 VAL 29 7.694 -3.437 -3.162 229 2HG2 VAL 29 2HG2 VAL 29 9.255 -2.630 -3.312 230 3HG2 VAL 29 3HG2 VAL 29 9.125 -4.138 -2.406 231 H CYS 30 H CYS 30 8.610 0.413 -0.722 232 HA CYS 30 HA CYS 30 7.802 0.533 1.940 233 1HB CYS 30 1HB CYS 30 9.849 1.572 0.804 234 2HB CYS 30 2HB CYS 30 8.789 2.909 0.376 235 H ALA 31 H ALA 31 6.724 2.475 -0.843 236 HA ALA 31 HA ALA 31 4.934 4.110 0.585 237 1HB ALA 31 1HB ALA 31 5.874 4.400 -1.788 238 2HB ALA 31 2HB ALA 31 4.214 4.910 -1.479 239 3HB ALA 31 3HB ALA 31 4.528 3.376 -2.291 240 H ALA 32 H ALA 32 4.409 1.090 -1.212 241 HA ALA 32 HA ALA 32 1.607 1.012 -0.800 242 1HB ALA 32 1HB ALA 32 2.231 -0.311 -2.561 243 2HB ALA 32 2HB ALA 32 2.058 -1.525 -1.294 244 3HB ALA 32 3HB ALA 32 3.659 -0.931 -1.734 245 H LYS 33 H LYS 33 4.301 -0.606 0.863 246 HA LYS 33 HA LYS 33 2.938 -2.202 2.616 247 1HB LYS 33 1HB LYS 33 5.424 -2.059 2.332 248 2HB LYS 33 2HB LYS 33 5.400 -0.610 3.326 249 1HG LYS 33 1HG LYS 33 4.013 -2.511 4.809 250 2HG LYS 33 2HG LYS 33 5.380 -3.380 4.112 251 1HD LYS 33 1HD LYS 33 6.934 -1.810 5.046 252 2HD LYS 33 2HD LYS 33 5.621 -0.758 5.579 253 1HE LYS 33 1HE LYS 33 6.011 -3.583 6.550 254 2HE LYS 33 2HE LYS 33 6.647 -2.164 7.381 255 1HZ LYS 33 1HZ LYS 33 3.886 -1.851 6.794 256 2HZ LYS 33 2HZ LYS 33 4.146 -3.269 7.677 257 3HZ LYS 33 3HZ LYS 33 4.676 -1.784 8.290 258 H PHE 34 H PHE 34 3.980 1.149 3.284 259 HA PHE 34 HA PHE 34 2.513 1.204 5.713 260 1HB PHE 34 1HB PHE 34 4.209 3.058 4.258 261 2HB PHE 34 2HB PHE 34 3.047 3.793 5.344 262 HD1 PHE 34 HD1 PHE 34 2.974 2.580 7.732 263 HD2 PHE 34 HD2 PHE 34 6.297 2.605 5.073 264 HE1 PHE 34 HE1 PHE 34 4.484 2.130 9.622 265 HE2 PHE 34 HE2 PHE 34 7.813 2.153 6.958 266 HZ PHE 34 HZ PHE 34 6.907 1.916 9.236 267 H GLU 35 H GLU 35 1.669 1.826 2.470 268 HA GLU 35 HA GLU 35 -0.422 3.688 2.971 269 1HB GLU 35 1HB GLU 35 0.727 2.281 0.706 270 2HB GLU 35 2HB GLU 35 -1.027 2.344 0.608 271 1HG GLU 35 1HG GLU 35 -1.061 4.672 0.546 272 2HG GLU 35 2HG GLU 35 0.583 4.803 1.170 273 H SER 36 H SER 36 -0.419 0.221 2.191 274 HA SER 36 HA SER 36 -3.021 -0.023 3.556 275 1HB SER 36 1HB SER 36 -3.765 -1.545 1.726 276 2HB SER 36 2HB SER 36 -3.466 0.099 1.165 277 HG SER 36 HG SER 36 -1.195 -1.020 0.855 278 H ASN 37 H ASN 37 0.066 -1.009 3.659 279 HA ASN 37 HA ASN 37 1.155 -2.809 4.551 280 1HB ASN 37 1HB ASN 37 -1.099 -2.505 6.091 281 2HB ASN 37 2HB ASN 37 -1.245 -4.179 5.566 282 2HD2 ASN 37 2HD2 ASN 37 -0.619 -5.400 7.196 283 1HD2 ASN 37 1HD2 ASN 37 0.831 -5.199 8.113 284 H PHE 38 H PHE 38 0.022 -2.838 1.916 285 HA PHE 38 HA PHE 38 -0.119 -4.107 0.103 286 1HB PHE 38 1HB PHE 38 0.881 -6.327 1.895 287 2HB PHE 38 2HB PHE 38 0.808 -6.378 0.138 288 HD1 PHE 38 HD1 PHE 38 1.881 -4.043 -0.882 289 HD2 PHE 38 HD2 PHE 38 3.007 -6.043 2.701 290 HE1 PHE 38 HE1 PHE 38 4.109 -3.012 -1.015 291 HE2 PHE 38 HE2 PHE 38 5.237 -5.013 2.577 292 HZ PHE 38 HZ PHE 38 5.792 -3.499 0.717 293 H ASN 39 H ASN 39 -2.373 -3.867 2.067 294 HA ASN 39 HA ASN 39 -3.830 -6.340 1.738 295 1HB ASN 39 1HB ASN 39 -4.178 -4.937 3.743 296 2HB ASN 39 2HB ASN 39 -4.777 -3.637 2.720 297 2HD2 ASN 39 2HD2 ASN 39 -6.617 -3.910 4.240 298 1HD2 ASN 39 1HD2 ASN 39 -7.849 -5.042 3.810 299 H THR 40 H THR 40 -4.628 -6.855 -0.156 300 HA THR 40 HA THR 40 -4.844 -5.073 -2.322 301 HB THR 40 HB THR 40 -5.355 -6.901 -3.599 302 HG1 THR 40 HG1 THR 40 -7.385 -7.415 -2.883 303 1HG2 THR 40 1HG2 THR 40 -3.698 -7.487 -1.403 304 2HG2 THR 40 2HG2 THR 40 -4.708 -8.908 -1.669 305 3HG2 THR 40 3HG2 THR 40 -3.720 -8.270 -2.982 306 H GLN 41 H GLN 41 -6.913 -5.833 0.251 307 HA GLN 41 HA GLN 41 -9.233 -4.707 -1.132 308 1HB GLN 41 1HB GLN 41 -8.806 -6.776 0.927 309 2HB GLN 41 2HB GLN 41 -10.216 -5.772 1.131 310 1HG GLN 41 1HG GLN 41 -9.917 -6.737 -1.589 311 2HG GLN 41 2HG GLN 41 -10.033 -8.039 -0.406 312 2HE2 GLN 41 2HE2 GLN 41 -12.035 -8.778 -0.524 313 1HE2 GLN 41 1HE2 GLN 41 -13.472 -7.820 -0.467 314 H ALA 42 H ALA 42 -6.814 -3.647 0.769 315 HA ALA 42 HA ALA 42 -8.070 -2.378 2.928 316 1HB ALA 42 1HB ALA 42 -5.467 -2.179 1.577 317 2HB ALA 42 2HB ALA 42 -5.856 -2.329 3.292 318 3HB ALA 42 3HB ALA 42 -5.971 -0.759 2.495 319 H THR 43 H THR 43 -9.321 -0.684 3.097 320 HA THR 43 HA THR 43 -9.396 1.304 0.922 321 HB THR 43 HB THR 43 -11.707 1.448 0.991 322 HG1 THR 43 HG1 THR 43 -12.488 1.641 2.951 323 1HG2 THR 43 1HG2 THR 43 -11.003 -1.414 1.616 324 2HG2 THR 43 2HG2 THR 43 -12.629 -0.910 1.155 325 3HG2 THR 43 3HG2 THR 43 -11.285 -0.681 0.036 326 H ASN 44 H ASN 44 -9.188 3.426 1.594 327 HA ASN 44 HA ASN 44 -9.330 3.919 4.495 328 1HB ASN 44 1HB ASN 44 -6.981 3.832 3.292 329 2HB ASN 44 2HB ASN 44 -7.416 5.466 2.800 330 2HD2 ASN 44 2HD2 ASN 44 -7.271 7.091 4.233 331 1HD2 ASN 44 1HD2 ASN 44 -6.767 6.905 5.875 332 H ARG 45 H ARG 45 -11.129 5.089 4.749 333 HA ARG 45 HA ARG 45 -11.956 7.031 2.771 334 1HB ARG 45 1HB ARG 45 -13.842 7.422 4.418 335 2HB ARG 45 2HB ARG 45 -13.731 5.803 3.743 336 1HG ARG 45 1HG ARG 45 -12.194 5.707 6.056 337 2HG ARG 45 2HG ARG 45 -13.610 6.666 6.490 338 1HD ARG 45 1HD ARG 45 -15.011 4.846 5.445 339 2HD ARG 45 2HD ARG 45 -13.539 3.879 5.354 340 HE ARG 45 HE ARG 45 -13.478 4.331 7.890 341 1HH1 ARG 45 1HH1 ARG 45 -16.362 3.889 5.985 342 2HH1 ARG 45 2HH1 ARG 45 -17.288 3.246 7.300 343 1HH2 ARG 45 1HH2 ARG 45 -14.689 3.485 9.628 344 2HH2 ARG 45 2HH2 ARG 45 -16.337 3.017 9.370 345 H ASN 46 H ASN 46 -11.546 9.139 2.807 346 HA ASN 46 HA ASN 46 -10.276 10.266 5.209 347 1HB ASN 46 1HB ASN 46 -10.213 11.596 2.523 348 2HB ASN 46 2HB ASN 46 -9.063 11.720 3.849 349 2HD2 ASN 46 2HD2 ASN 46 -7.449 10.224 4.047 350 1HD2 ASN 46 1HD2 ASN 46 -7.106 9.035 2.843 351 H THR 47 H THR 47 -10.610 12.769 5.264 352 HA THR 47 HA THR 47 -13.448 13.173 5.595 353 HB THR 47 HB THR 47 -12.778 15.415 6.474 354 HG1 THR 47 HG1 THR 47 -10.828 15.643 5.272 355 1HG2 THR 47 1HG2 THR 47 -12.781 13.114 7.760 356 2HG2 THR 47 2HG2 THR 47 -11.046 13.420 7.855 357 3HG2 THR 47 3HG2 THR 47 -12.184 14.583 8.533 358 H ASP 48 H ASP 48 -11.194 13.712 3.126 359 HA ASP 48 HA ASP 48 -12.343 16.073 1.997 360 1HB ASP 48 1HB ASP 48 -10.998 15.383 -0.035 361 2HB ASP 48 2HB ASP 48 -10.076 15.635 1.443 362 H GLY 49 H GLY 49 -13.415 12.919 2.194 363 1HA GLY 49 1HA GLY 49 -15.326 13.403 0.009 364 2HA GLY 49 2HA GLY 49 -15.600 12.349 1.387 365 H SER 50 H SER 50 -12.616 12.333 -0.432 366 HA SER 50 HA SER 50 -13.393 10.100 -2.079 367 1HB SER 50 1HB SER 50 -10.742 10.157 -2.432 368 2HB SER 50 2HB SER 50 -11.822 11.290 -3.242 369 HG SER 50 HG SER 50 -11.310 12.837 -1.736 370 H THR 51 H THR 51 -11.643 8.249 -2.149 371 HA THR 51 HA THR 51 -10.931 7.383 0.554 372 HB THR 51 HB THR 51 -12.315 5.405 -1.212 373 HG1 THR 51 HG1 THR 51 -13.792 7.126 -1.044 374 1HG2 THR 51 1HG2 THR 51 -11.645 5.694 1.677 375 2HG2 THR 51 2HG2 THR 51 -13.064 4.747 1.228 376 3HG2 THR 51 3HG2 THR 51 -11.473 4.298 0.615 377 H ASP 52 H ASP 52 -9.678 5.286 0.485 378 HA ASP 52 HA ASP 52 -7.964 5.205 -1.914 379 1HB ASP 52 1HB ASP 52 -7.237 4.758 0.988 380 2HB ASP 52 2HB ASP 52 -6.152 4.442 -0.363 381 H TYR 53 H TYR 53 -9.290 3.620 -2.862 382 HA TYR 53 HA TYR 53 -9.461 1.058 -1.472 383 1HB TYR 53 1HB TYR 53 -10.589 1.815 -4.174 384 2HB TYR 53 2HB TYR 53 -10.952 0.365 -3.248 385 HD1 TYR 53 HD1 TYR 53 -11.938 0.848 -0.827 386 HD2 TYR 53 HD2 TYR 53 -12.100 3.547 -4.110 387 HE1 TYR 53 HE1 TYR 53 -13.874 1.967 0.196 388 HE2 TYR 53 HE2 TYR 53 -14.034 4.676 -3.095 389 HH TYR 53 HH TYR 53 -15.384 4.794 -1.334 390 H GLY 54 H GLY 54 -7.087 0.611 -1.639 391 1HA GLY 54 1HA GLY 54 -5.914 0.416 -4.220 392 2HA GLY 54 2HA GLY 54 -6.486 -1.153 -3.674 393 H ILE 55 H ILE 55 -4.215 -1.778 -3.782 394 HA ILE 55 HA ILE 55 -2.966 -1.712 -1.235 395 HB ILE 55 HB ILE 55 -2.614 -3.535 -2.930 396 1HG1 ILE 55 1HG1 ILE 55 -0.028 -2.195 -2.111 397 2HG1 ILE 55 2HG1 ILE 55 -1.055 -3.095 -1.000 398 1HG2 ILE 55 1HG2 ILE 55 -1.865 -1.333 -4.559 399 2HG2 ILE 55 2HG2 ILE 55 -0.466 -2.394 -4.392 400 3HG2 ILE 55 3HG2 ILE 55 -1.993 -3.035 -5.000 401 1HD1 ILE 55 1HD1 ILE 55 -0.526 -4.692 -3.307 402 2HD1 ILE 55 2HD1 ILE 55 0.988 -4.076 -2.647 403 3HD1 ILE 55 3HD1 ILE 55 -0.113 -4.993 -1.619 404 H LEU 56 H LEU 56 -2.855 0.221 -4.080 405 HA LEU 56 HA LEU 56 -0.694 1.874 -2.971 406 1HB LEU 56 1HB LEU 56 -1.241 0.946 -5.627 407 2HB LEU 56 2HB LEU 56 -1.376 2.692 -5.610 408 HG LEU 56 HG LEU 56 0.862 2.216 -6.231 409 1HD1 LEU 56 1HD1 LEU 56 0.412 3.896 -4.312 410 2HD1 LEU 56 2HD1 LEU 56 1.212 2.695 -3.300 411 3HD1 LEU 56 3HD1 LEU 56 2.070 3.410 -4.665 412 1HD2 LEU 56 1HD2 LEU 56 0.963 0.343 -3.866 413 2HD2 LEU 56 2HD2 LEU 56 0.937 -0.117 -5.569 414 3HD2 LEU 56 3HD2 LEU 56 2.325 0.748 -4.910 415 H GLN 57 H GLN 57 -3.826 1.652 -2.651 416 HA GLN 57 HA GLN 57 -5.457 3.064 -2.011 417 1HB GLN 57 1HB GLN 57 -3.401 5.242 -2.412 418 2HB GLN 57 2HB GLN 57 -4.947 5.428 -1.597 419 1HG GLN 57 1HG GLN 57 -4.096 3.553 -0.045 420 2HG GLN 57 2HG GLN 57 -2.508 3.955 -0.698 421 2HE2 GLN 57 2HE2 GLN 57 -4.323 4.421 1.879 422 1HE2 GLN 57 1HE2 GLN 57 -3.852 6.017 2.340 423 H ILE 58 H ILE 58 -6.410 2.342 -4.144 424 HA ILE 58 HA ILE 58 -6.206 4.294 -6.268 425 HB ILE 58 HB ILE 58 -8.077 1.940 -6.225 426 1HG1 ILE 58 1HG1 ILE 58 -5.932 1.007 -5.660 427 2HG1 ILE 58 2HG1 ILE 58 -6.238 0.666 -7.360 428 1HG2 ILE 58 1HG2 ILE 58 -7.584 3.973 -8.064 429 2HG2 ILE 58 2HG2 ILE 58 -6.767 2.554 -8.718 430 3HG2 ILE 58 3HG2 ILE 58 -8.488 2.484 -8.339 431 1HD1 ILE 58 1HD1 ILE 58 -4.780 2.540 -7.977 432 2HD1 ILE 58 2HD1 ILE 58 -4.448 2.825 -6.269 433 3HD1 ILE 58 3HD1 ILE 58 -3.939 1.316 -7.027 434 H ASN 59 H ASN 59 -7.181 6.145 -5.584 435 HA ASN 59 HA ASN 59 -9.653 6.218 -4.216 436 1HB ASN 59 1HB ASN 59 -8.044 8.098 -4.196 437 2HB ASN 59 2HB ASN 59 -8.342 8.361 -5.911 438 2HD2 ASN 59 2HD2 ASN 59 -8.870 10.530 -5.118 439 1HD2 ASN 59 1HD2 ASN 59 -10.483 10.839 -4.582 440 H SER 60 H SER 60 -11.296 5.129 -5.195 441 HA SER 60 HA SER 60 -11.734 4.973 -7.953 442 1HB SER 60 1HB SER 60 -13.822 3.966 -7.421 443 2HB SER 60 2HB SER 60 -12.716 3.498 -6.128 444 HG SER 60 HG SER 60 -15.021 4.860 -5.963 445 H ARG 61 H ARG 61 -12.131 7.630 -5.899 446 HA ARG 61 HA ARG 61 -14.335 8.801 -7.378 447 1HB ARG 61 1HB ARG 61 -13.984 9.116 -4.895 448 2HB ARG 61 2HB ARG 61 -12.596 10.119 -5.291 449 1HG ARG 61 1HG ARG 61 -13.866 11.871 -5.880 450 2HG ARG 61 2HG ARG 61 -15.081 10.858 -6.664 451 1HD ARG 61 1HD ARG 61 -16.256 10.523 -4.713 452 2HD ARG 61 2HD ARG 61 -14.849 10.811 -3.692 453 HE ARG 61 HE ARG 61 -15.353 13.045 -3.684 454 1HH1 ARG 61 1HH1 ARG 61 -17.145 11.480 -6.230 455 2HH1 ARG 61 2HH1 ARG 61 -18.106 12.876 -6.587 456 1HH2 ARG 61 1HH2 ARG 61 -16.614 14.887 -4.147 457 2HH2 ARG 61 2HH2 ARG 61 -17.805 14.812 -5.404 458 H TRP 62 H TRP 62 -10.891 9.511 -6.826 459 HA TRP 62 HA TRP 62 -10.902 11.510 -8.927 460 1HB TRP 62 1HB TRP 62 -9.465 11.288 -6.629 461 2HB TRP 62 2HB TRP 62 -8.316 10.644 -7.798 462 HD1 TRP 62 HD1 TRP 62 -7.439 12.336 -9.712 463 HE1 TRP 62 HE1 TRP 62 -7.317 14.907 -9.771 464 HE3 TRP 62 HE3 TRP 62 -10.642 13.390 -5.869 465 HZ2 TRP 62 HZ2 TRP 62 -8.431 17.092 -8.374 466 HZ3 TRP 62 HZ3 TRP 62 -11.059 15.746 -5.294 467 HH2 TRP 62 HH2 TRP 62 -9.975 17.557 -6.521 468 H TRP 63 H TRP 63 -10.524 8.182 -8.735 469 HA TRP 63 HA TRP 63 -9.412 8.109 -11.442 470 1HB TRP 63 1HB TRP 63 -8.448 6.206 -9.295 471 2HB TRP 63 2HB TRP 63 -7.865 6.338 -10.948 472 HD1 TRP 63 HD1 TRP 63 -6.848 7.260 -7.591 473 HE1 TRP 63 HE1 TRP 63 -5.100 9.153 -7.635 474 HE3 TRP 63 HE3 TRP 63 -7.467 8.792 -12.401 475 HZ2 TRP 63 HZ2 TRP 63 -4.117 11.057 -9.492 476 HZ3 TRP 63 HZ3 TRP 63 -6.125 10.648 -13.244 477 HH2 TRP 63 HH2 TRP 63 -4.466 11.765 -11.824 478 H CYS 64 H CYS 64 -9.813 6.091 -12.530 479 HA CYS 64 HA CYS 64 -11.281 4.583 -13.350 480 1HB CYS 64 1HB CYS 64 -11.293 2.618 -12.153 481 2HB CYS 64 2HB CYS 64 -9.987 3.477 -11.348 482 H ASN 65 H ASN 65 -13.382 3.730 -13.491 483 HA ASN 65 HA ASN 65 -15.379 5.473 -12.223 484 1HB ASN 65 1HB ASN 65 -15.363 5.414 -14.692 485 2HB ASN 65 2HB ASN 65 -15.632 3.675 -14.648 486 2HD2 ASN 65 2HD2 ASN 65 -17.036 6.563 -13.127 487 1HD2 ASN 65 1HD2 ASN 65 -18.680 6.137 -13.446 488 H ASP 66 H ASP 66 -16.191 4.625 -10.419 489 HA ASP 66 HA ASP 66 -16.500 1.723 -10.204 490 1HB ASP 66 1HB ASP 66 -16.690 2.039 -7.836 491 2HB ASP 66 2HB ASP 66 -15.334 3.011 -8.398 492 H GLY 67 H GLY 67 -18.365 4.596 -10.619 493 1HA GLY 67 1HA GLY 67 -20.748 3.089 -11.043 494 2HA GLY 67 2HA GLY 67 -20.606 4.839 -11.072 495 H ARG 68 H ARG 68 -19.473 3.330 -8.209 496 HA ARG 68 HA ARG 68 -22.037 3.516 -6.856 497 1HB ARG 68 1HB ARG 68 -19.311 2.685 -5.847 498 2HB ARG 68 2HB ARG 68 -20.792 2.629 -4.902 499 1HG ARG 68 1HG ARG 68 -21.724 1.077 -6.641 500 2HG ARG 68 2HG ARG 68 -20.105 1.012 -7.340 501 1HD ARG 68 1HD ARG 68 -20.379 -0.877 -5.893 502 2HD ARG 68 2HD ARG 68 -19.249 0.244 -5.136 503 HE ARG 68 HE ARG 68 -22.051 0.404 -4.342 504 1HH1 ARG 68 1HH1 ARG 68 -18.801 -0.614 -3.610 505 2HH1 ARG 68 2HH1 ARG 68 -19.104 -0.803 -1.915 506 1HH2 ARG 68 1HH2 ARG 68 -22.460 0.158 -2.112 507 2HH2 ARG 68 2HH2 ARG 68 -21.184 -0.366 -1.064 508 H THR 69 H THR 69 -19.529 5.587 -7.581 509 HA THR 69 HA THR 69 -20.201 7.323 -5.295 510 HB THR 69 HB THR 69 -17.561 7.385 -6.754 511 HG1 THR 69 HG1 THR 69 -18.456 5.746 -4.688 512 1HG2 THR 69 1HG2 THR 69 -18.619 9.316 -5.259 513 2HG2 THR 69 2HG2 THR 69 -17.945 8.328 -3.963 514 3HG2 THR 69 3HG2 THR 69 -16.894 8.953 -5.234 515 HA PRO 70 HA PRO 70 -21.891 9.600 -8.877 516 1HB PRO 70 1HB PRO 70 -22.633 11.372 -6.603 517 2HB PRO 70 2HB PRO 70 -23.624 10.788 -7.945 518 1HG PRO 70 1HG PRO 70 -23.899 9.755 -5.508 519 2HG PRO 70 2HG PRO 70 -23.992 8.726 -6.949 520 1HD PRO 70 1HD PRO 70 -21.763 9.045 -4.985 521 2HD PRO 70 2HD PRO 70 -22.319 7.589 -5.837 522 H GLY 71 H GLY 71 -20.071 10.401 -9.857 523 1HA GLY 71 1HA GLY 71 -18.719 12.662 -8.527 524 2HA GLY 71 2HA GLY 71 -19.266 12.792 -10.192 525 H SER 72 H SER 72 -18.443 9.741 -10.209 526 HA SER 72 HA SER 72 -15.664 9.598 -9.962 527 1HB SER 72 1HB SER 72 -17.296 8.040 -11.973 528 2HB SER 72 2HB SER 72 -15.792 7.552 -11.194 529 HG SER 72 HG SER 72 -18.359 7.344 -10.304 530 H ARG 73 H ARG 73 -14.185 10.752 -10.992 531 HA ARG 73 HA ARG 73 -14.705 12.213 -13.364 532 1HB ARG 73 1HB ARG 73 -12.437 11.817 -11.535 533 2HB ARG 73 2HB ARG 73 -11.977 12.159 -13.198 534 1HG ARG 73 1HG ARG 73 -14.072 13.903 -12.118 535 2HG ARG 73 2HG ARG 73 -12.501 14.038 -11.325 536 1HD ARG 73 1HD ARG 73 -11.939 15.412 -12.991 537 2HD ARG 73 2HD ARG 73 -11.855 13.970 -14.002 538 HE ARG 73 HE ARG 73 -13.839 14.582 -15.008 539 1HH1 ARG 73 1HH1 ARG 73 -13.209 16.631 -12.261 540 2HH1 ARG 73 2HH1 ARG 73 -14.450 17.771 -12.665 541 1HH2 ARG 73 1HH2 ARG 73 -15.476 16.076 -15.546 542 2HH2 ARG 73 2HH2 ARG 73 -15.739 17.455 -14.530 543 H ASN 74 H ASN 74 -13.001 9.191 -12.709 544 HA ASN 74 HA ASN 74 -12.398 7.448 -14.061 545 1HB ASN 74 1HB ASN 74 -14.740 8.139 -15.112 546 2HB ASN 74 2HB ASN 74 -13.727 8.662 -16.454 547 2HD2 ASN 74 2HD2 ASN 74 -14.625 7.080 -17.789 548 1HD2 ASN 74 1HD2 ASN 74 -14.190 5.414 -17.644 549 H LEU 75 H LEU 75 -10.765 9.691 -13.700 550 HA LEU 75 HA LEU 75 -9.555 10.759 -15.977 551 1HB LEU 75 1HB LEU 75 -8.945 10.293 -13.136 552 2HB LEU 75 2HB LEU 75 -7.561 10.547 -14.169 553 HG LEU 75 HG LEU 75 -9.918 12.427 -13.836 554 1HD1 LEU 75 1HD1 LEU 75 -8.112 12.057 -11.949 555 2HD1 LEU 75 2HD1 LEU 75 -7.161 13.130 -12.975 556 3HD1 LEU 75 3HD1 LEU 75 -8.718 13.665 -12.343 557 1HD2 LEU 75 1HD2 LEU 75 -8.105 12.246 -15.948 558 2HD2 LEU 75 2HD2 LEU 75 -9.182 13.593 -15.582 559 3HD2 LEU 75 3HD2 LEU 75 -7.530 13.592 -14.964 560 H CYS 76 H CYS 76 -8.878 8.058 -13.992 561 HA CYS 76 HA CYS 76 -6.635 7.089 -15.456 562 1HB CYS 76 1HB CYS 76 -7.630 6.856 -12.947 563 2HB CYS 76 2HB CYS 76 -8.060 5.299 -13.642 564 H ASN 77 H ASN 77 -10.061 6.553 -15.374 565 HA ASN 77 HA ASN 77 -11.485 5.204 -16.555 566 1HB ASN 77 1HB ASN 77 -10.267 6.637 -18.360 567 2HB ASN 77 2HB ASN 77 -9.432 5.137 -18.753 568 2HD2 ASN 77 2HD2 ASN 77 -12.183 6.994 -19.243 569 1HD2 ASN 77 1HD2 ASN 77 -13.136 5.824 -20.084 570 H ILE 78 H ILE 78 -10.324 3.761 -14.762 571 HA ILE 78 HA ILE 78 -9.462 1.326 -16.149 572 HB ILE 78 HB ILE 78 -7.719 0.970 -14.783 573 1HG1 ILE 78 1HG1 ILE 78 -9.624 1.826 -12.690 574 2HG1 ILE 78 2HG1 ILE 78 -8.494 0.479 -12.698 575 1HG2 ILE 78 1HG2 ILE 78 -7.374 3.209 -15.665 576 2HG2 ILE 78 2HG2 ILE 78 -8.159 3.897 -14.243 577 3HG2 ILE 78 3HG2 ILE 78 -6.631 3.032 -14.075 578 1HD1 ILE 78 1HD1 ILE 78 -6.671 2.134 -12.249 579 2HD1 ILE 78 2HD1 ILE 78 -7.929 3.349 -12.019 580 3HD1 ILE 78 3HD1 ILE 78 -7.854 1.944 -10.955 581 HA PRO 79 HA PRO 79 -12.658 -0.731 -13.861 582 1HB PRO 79 1HB PRO 79 -11.733 -3.260 -13.767 583 2HB PRO 79 2HB PRO 79 -12.262 -2.526 -15.285 584 1HG PRO 79 1HG PRO 79 -9.495 -2.951 -14.247 585 2HG PRO 79 2HG PRO 79 -10.111 -3.116 -15.901 586 1HD PRO 79 1HD PRO 79 -8.727 -0.924 -14.951 587 2HD PRO 79 2HD PRO 79 -9.822 -0.898 -16.347 588 H CYS 80 H CYS 80 -12.769 -0.052 -11.772 589 HA CYS 80 HA CYS 80 -10.683 -0.113 -9.926 590 1HB CYS 80 1HB CYS 80 -13.525 -0.222 -9.004 591 2HB CYS 80 2HB CYS 80 -12.190 0.759 -8.404 592 H SER 81 H SER 81 -13.565 -2.243 -9.965 593 HA SER 81 HA SER 81 -12.764 -3.933 -7.916 594 1HB SER 81 1HB SER 81 -14.370 -5.541 -8.805 595 2HB SER 81 2HB SER 81 -15.032 -3.909 -8.901 596 HG SER 81 HG SER 81 -13.913 -4.123 -11.156 597 H ALA 82 H ALA 82 -11.609 -3.813 -11.194 598 HA ALA 82 HA ALA 82 -10.586 -6.470 -11.312 599 1HB ALA 82 1HB ALA 82 -11.001 -5.276 -13.352 600 2HB ALA 82 2HB ALA 82 -9.277 -5.631 -13.245 601 3HB ALA 82 3HB ALA 82 -9.866 -4.007 -12.891 602 H LEU 83 H LEU 83 -9.649 -3.820 -9.533 603 HA LEU 83 HA LEU 83 -6.829 -4.630 -9.421 604 1HB LEU 83 1HB LEU 83 -6.284 -2.527 -8.713 605 2HB LEU 83 2HB LEU 83 -7.713 -2.161 -9.659 606 HG LEU 83 HG LEU 83 -8.820 -2.553 -7.207 607 1HD1 LEU 83 1HD1 LEU 83 -6.005 -2.173 -6.769 608 2HD1 LEU 83 2HD1 LEU 83 -6.924 -0.835 -6.080 609 3HD1 LEU 83 3HD1 LEU 83 -7.288 -2.493 -5.603 610 1HD2 LEU 83 1HD2 LEU 83 -7.705 -0.016 -8.392 611 2HD2 LEU 83 2HD2 LEU 83 -9.315 -0.690 -8.641 612 3HD2 LEU 83 3HD2 LEU 83 -8.852 -0.076 -7.054 613 H LEU 84 H LEU 84 -9.732 -5.138 -7.876 614 HA LEU 84 HA LEU 84 -8.438 -5.722 -5.303 615 1HB LEU 84 1HB LEU 84 -11.398 -5.665 -5.627 616 2HB LEU 84 2HB LEU 84 -10.418 -5.230 -4.239 617 HG LEU 84 HG LEU 84 -10.250 -3.542 -6.686 618 1HD1 LEU 84 1HD1 LEU 84 -12.684 -3.964 -6.158 619 2HD1 LEU 84 2HD1 LEU 84 -12.398 -3.138 -4.625 620 3HD1 LEU 84 3HD1 LEU 84 -12.164 -2.278 -6.147 621 1HD2 LEU 84 1HD2 LEU 84 -8.838 -3.329 -4.550 622 2HD2 LEU 84 2HD2 LEU 84 -9.575 -1.871 -5.215 623 3HD2 LEU 84 3HD2 LEU 84 -10.303 -2.669 -3.820 624 H SER 85 H SER 85 -8.089 -7.492 -7.429 625 HA SER 85 HA SER 85 -9.627 -9.798 -6.465 626 1HB SER 85 1HB SER 85 -8.876 -10.490 -9.051 627 2HB SER 85 2HB SER 85 -10.491 -10.003 -8.540 628 HG SER 85 HG SER 85 -9.966 -8.626 -10.157 629 H SER 86 H SER 86 -7.216 -8.838 -5.543 630 HA SER 86 HA SER 86 -5.226 -9.627 -4.746 631 1HB SER 86 1HB SER 86 -6.403 -11.860 -4.694 632 2HB SER 86 2HB SER 86 -5.786 -12.157 -6.319 633 HG SER 86 HG SER 86 -4.101 -11.520 -4.136 634 H ASP 87 H ASP 87 -5.826 -8.377 -7.351 635 HA ASP 87 HA ASP 87 -3.325 -8.977 -8.772 636 1HB ASP 87 1HB ASP 87 -5.539 -9.607 -9.833 637 2HB ASP 87 2HB ASP 87 -5.879 -7.885 -9.925 638 H ILE 88 H ILE 88 -1.892 -7.321 -8.580 639 HA ILE 88 HA ILE 88 -2.824 -4.687 -7.846 640 HB ILE 88 HB ILE 88 -0.234 -4.241 -8.205 641 1HG1 ILE 88 1HG1 ILE 88 -0.070 -7.110 -7.373 642 2HG1 ILE 88 2HG1 ILE 88 -0.144 -6.724 -9.090 643 1HG2 ILE 88 1HG2 ILE 88 -1.903 -4.855 -6.038 644 2HG2 ILE 88 2HG2 ILE 88 -0.411 -5.763 -5.788 645 3HG2 ILE 88 3HG2 ILE 88 -0.354 -4.013 -6.007 646 1HD1 ILE 88 1HD1 ILE 88 1.782 -5.006 -8.155 647 2HD1 ILE 88 2HD1 ILE 88 2.054 -6.470 -7.210 648 3HD1 ILE 88 3HD1 ILE 88 2.068 -6.544 -8.972 649 H THR 89 H THR 89 -2.442 -6.338 -10.722 650 HA THR 89 HA THR 89 -1.184 -4.675 -12.480 651 HB THR 89 HB THR 89 -3.799 -6.033 -13.131 652 HG1 THR 89 HG1 THR 89 -2.756 -7.917 -13.139 653 1HG2 THR 89 1HG2 THR 89 -1.439 -5.075 -14.708 654 2HG2 THR 89 2HG2 THR 89 -2.422 -6.412 -15.304 655 3HG2 THR 89 3HG2 THR 89 -3.159 -4.837 -15.016 656 H ALA 90 H ALA 90 -4.703 -4.536 -11.818 657 HA ALA 90 HA ALA 90 -5.163 -2.244 -13.283 658 1HB ALA 90 1HB ALA 90 -6.651 -3.894 -11.427 659 2HB ALA 90 2HB ALA 90 -7.120 -2.196 -11.361 660 3HB ALA 90 3HB ALA 90 -7.187 -3.072 -12.891 661 H SER 91 H SER 91 -4.544 -2.603 -9.800 662 HA SER 91 HA SER 91 -4.843 0.114 -9.124 663 1HB SER 91 1HB SER 91 -2.888 -1.064 -7.423 664 2HB SER 91 2HB SER 91 -4.590 -0.757 -7.079 665 HG SER 91 HG SER 91 -4.463 -2.899 -6.897 666 H VAL 92 H VAL 92 -2.123 -1.705 -10.326 667 HA VAL 92 HA VAL 92 -0.269 0.424 -9.885 668 HB VAL 92 HB VAL 92 -0.008 -2.062 -11.571 669 1HG1 VAL 92 1HG1 VAL 92 1.835 0.290 -11.258 670 2HG1 VAL 92 2HG1 VAL 92 2.477 -1.318 -11.589 671 3HG1 VAL 92 3HG1 VAL 92 1.364 -0.562 -12.727 672 1HG2 VAL 92 1HG2 VAL 92 0.390 -1.480 -8.808 673 2HG2 VAL 92 2HG2 VAL 92 0.633 -3.005 -9.660 674 3HG2 VAL 92 3HG2 VAL 92 1.954 -1.842 -9.540 675 H ASN 93 H ASN 93 -1.892 -0.850 -12.797 676 HA ASN 93 HA ASN 93 -0.860 0.737 -14.678 677 1HB ASN 93 1HB ASN 93 -2.398 -0.323 -15.852 678 2HB ASN 93 2HB ASN 93 -3.177 -0.804 -14.366 679 2HD2 ASN 93 2HD2 ASN 93 -5.116 0.015 -13.878 680 1HD2 ASN 93 1HD2 ASN 93 -5.912 1.265 -14.765 681 H CYS 94 H CYS 94 -3.359 1.565 -12.369 682 HA CYS 94 HA CYS 94 -3.878 4.158 -13.333 683 1HB CYS 94 1HB CYS 94 -5.122 2.662 -11.534 684 2HB CYS 94 2HB CYS 94 -4.113 3.577 -10.416 685 H ALA 95 H ALA 95 -1.720 2.990 -10.736 686 HA ALA 95 HA ALA 95 -0.736 5.594 -10.144 687 1HB ALA 95 1HB ALA 95 -0.178 4.409 -8.368 688 2HB ALA 95 2HB ALA 95 1.257 3.968 -9.292 689 3HB ALA 95 3HB ALA 95 -0.139 2.892 -9.267 690 H LYS 96 H LYS 96 0.310 3.061 -12.344 691 HA LYS 96 HA LYS 96 2.824 3.955 -13.031 692 1HB LYS 96 1HB LYS 96 1.276 1.957 -13.934 693 2HB LYS 96 2HB LYS 96 1.021 3.100 -15.246 694 1HG LYS 96 1HG LYS 96 3.579 3.260 -15.340 695 2HG LYS 96 2HG LYS 96 3.563 1.784 -14.372 696 1HD LYS 96 1HD LYS 96 3.448 0.705 -16.330 697 2HD LYS 96 2HD LYS 96 1.758 1.215 -16.359 698 1HE LYS 96 1HE LYS 96 2.871 3.414 -17.380 699 2HE LYS 96 2HE LYS 96 4.087 2.240 -17.881 700 1HZ LYS 96 1HZ LYS 96 2.257 0.928 -18.879 701 2HZ LYS 96 2HZ LYS 96 1.191 2.192 -18.526 702 3HZ LYS 96 3HZ LYS 96 2.471 2.441 -19.603 703 H LYS 97 H LYS 97 -0.353 4.979 -13.852 704 HA LYS 97 HA LYS 97 0.454 7.077 -15.686 705 1HB LYS 97 1HB LYS 97 -1.749 5.721 -15.760 706 2HB LYS 97 2HB LYS 97 -2.286 6.793 -14.474 707 1HG LYS 97 1HG LYS 97 -1.336 8.563 -16.318 708 2HG LYS 97 2HG LYS 97 -2.004 7.287 -17.337 709 1HD LYS 97 1HD LYS 97 -4.140 7.457 -16.213 710 2HD LYS 97 2HD LYS 97 -3.482 8.645 -15.085 711 1HE LYS 97 1HE LYS 97 -3.067 10.171 -16.971 712 2HE LYS 97 2HE LYS 97 -3.782 8.989 -18.068 713 1HZ LYS 97 1HZ LYS 97 -5.737 9.228 -16.299 714 2HZ LYS 97 2HZ LYS 97 -5.071 10.779 -16.171 715 3HZ LYS 97 3HZ LYS 97 -5.616 10.213 -17.670 716 H ILE 98 H ILE 98 -0.312 6.680 -12.317 717 HA ILE 98 HA ILE 98 -0.781 9.383 -11.683 718 HB ILE 98 HB ILE 98 0.142 7.116 -9.945 719 1HG1 ILE 98 1HG1 ILE 98 -2.524 8.547 -10.112 720 2HG1 ILE 98 2HG1 ILE 98 -2.170 7.021 -10.913 721 1HG2 ILE 98 1HG2 ILE 98 -0.583 9.944 -9.197 722 2HG2 ILE 98 2HG2 ILE 98 -0.492 8.612 -8.044 723 3HG2 ILE 98 3HG2 ILE 98 0.952 9.122 -8.921 724 1HD1 ILE 98 1HD1 ILE 98 -1.476 6.457 -8.348 725 2HD1 ILE 98 2HD1 ILE 98 -2.819 7.578 -8.120 726 3HD1 ILE 98 3HD1 ILE 98 -3.046 6.111 -9.073 727 H VAL 99 H VAL 99 2.102 7.373 -11.489 728 HA VAL 99 HA VAL 99 3.812 9.505 -10.643 729 HB VAL 99 HB VAL 99 4.181 7.097 -10.077 730 1HG1 VAL 99 1HG1 VAL 99 3.885 6.662 -12.760 731 2HG1 VAL 99 2HG1 VAL 99 5.632 6.546 -12.549 732 3HG1 VAL 99 3HG1 VAL 99 4.559 5.511 -11.607 733 1HG2 VAL 99 1HG2 VAL 99 5.961 9.072 -10.295 734 2HG2 VAL 99 2HG2 VAL 99 6.407 7.442 -9.794 735 3HG2 VAL 99 3HG2 VAL 99 6.654 7.949 -11.465 736 H SER 100 H SER 100 2.791 8.253 -13.728 737 HA SER 100 HA SER 100 5.020 9.459 -15.146 738 1HB SER 100 1HB SER 100 4.141 8.469 -17.107 739 2HB SER 100 2HB SER 100 3.845 7.291 -15.829 740 HG SER 100 HG SER 100 2.014 7.679 -17.203 741 H ASP 101 H ASP 101 1.806 10.288 -14.208 742 HA ASP 101 HA ASP 101 1.910 12.680 -15.928 743 1HB ASP 101 1HB ASP 101 -0.129 10.790 -15.640 744 2HB ASP 101 2HB ASP 101 -0.691 12.201 -14.749 745 H GLY 102 H GLY 102 2.164 11.633 -12.739 746 1HA GLY 102 1HA GLY 102 1.113 13.017 -10.880 747 2HA GLY 102 2HA GLY 102 1.708 14.392 -11.795 748 H ASN 103 H ASN 103 2.284 12.855 -9.094 749 HA ASN 103 HA ASN 103 5.174 13.342 -9.234 750 1HB ASN 103 1HB ASN 103 3.128 13.901 -7.264 751 2HB ASN 103 2HB ASN 103 4.450 12.981 -6.553 752 2HD2 ASN 103 2HD2 ASN 103 3.526 15.949 -8.099 753 1HD2 ASN 103 1HD2 ASN 103 4.954 16.837 -7.703 754 H GLY 104 H GLY 104 6.607 11.926 -8.022 755 1HA GLY 104 1HA GLY 104 7.499 9.846 -7.684 756 2HA GLY 104 2HA GLY 104 6.181 9.208 -8.648 757 H MET 105 H MET 105 7.579 9.200 -5.654 758 HA MET 105 HA MET 105 5.364 7.726 -4.513 759 1HB MET 105 1HB MET 105 7.838 8.301 -2.959 760 2HB MET 105 2HB MET 105 6.898 6.819 -3.061 761 1HG MET 105 1HG MET 105 8.847 7.880 -5.089 762 2HG MET 105 2HG MET 105 9.033 6.456 -4.067 763 1HE MET 105 1HE MET 105 6.932 4.835 -3.945 764 2HE MET 105 2HE MET 105 5.541 5.594 -4.719 765 3HE MET 105 3HE MET 105 6.243 4.130 -5.408 766 H ASN 106 H ASN 106 6.128 10.896 -4.718 767 HA ASN 106 HA ASN 106 5.729 11.736 -2.023 768 1HB ASN 106 1HB ASN 106 5.280 13.580 -4.321 769 2HB ASN 106 2HB ASN 106 6.139 13.848 -2.811 770 2HD2 ASN 106 2HD2 ASN 106 8.274 13.198 -2.608 771 1HD2 ASN 106 1HD2 ASN 106 9.247 12.811 -3.981 772 H ALA 107 H ALA 107 3.668 11.236 -4.820 773 HA ALA 107 HA ALA 107 1.435 12.708 -4.146 774 1HB ALA 107 1HB ALA 107 2.045 10.551 -5.920 775 2HB ALA 107 2HB ALA 107 0.478 10.263 -5.165 776 3HB ALA 107 3HB ALA 107 0.771 11.765 -6.042 777 H TRP 108 H TRP 108 2.208 9.388 -3.150 778 HA TRP 108 HA TRP 108 -0.092 9.230 -1.439 779 1HB TRP 108 1HB TRP 108 2.278 7.369 -1.702 780 2HB TRP 108 2HB TRP 108 0.782 7.012 -0.840 781 HD1 TRP 108 HD1 TRP 108 -1.452 6.684 -2.360 782 HE1 TRP 108 HE1 TRP 108 -1.727 5.947 -4.811 783 HE3 TRP 108 HE3 TRP 108 3.333 7.454 -3.982 784 HZ2 TRP 108 HZ2 TRP 108 -0.128 5.724 -7.135 785 HZ3 TRP 108 HZ3 TRP 108 3.877 6.960 -6.327 786 HH2 TRP 108 HH2 TRP 108 2.185 6.110 -7.869 787 H VAL 109 H VAL 109 -0.233 9.568 0.666 788 HA VAL 109 HA VAL 109 1.809 11.057 1.989 789 HB VAL 109 HB VAL 109 -0.361 10.094 3.613 790 1HG1 VAL 109 1HG1 VAL 109 0.969 12.695 3.030 791 2HG1 VAL 109 2HG1 VAL 109 -0.563 12.658 3.902 792 3HG1 VAL 109 3HG1 VAL 109 0.846 11.824 4.558 793 1HG2 VAL 109 1HG2 VAL 109 -0.881 11.363 0.992 794 2HG2 VAL 109 2HG2 VAL 109 -1.858 10.208 1.900 795 3HG2 VAL 109 3HG2 VAL 109 -1.843 11.910 2.366 796 H ALA 110 H ALA 110 0.932 7.703 2.040 797 HA ALA 110 HA ALA 110 1.961 7.144 4.638 798 1HB ALA 110 1HB ALA 110 1.561 5.277 2.301 799 2HB ALA 110 2HB ALA 110 1.843 4.797 3.975 800 3HB ALA 110 3HB ALA 110 0.362 5.652 3.539 801 H TRP 111 H TRP 111 3.339 7.527 1.513 802 HA TRP 111 HA TRP 111 5.862 6.310 2.278 803 1HB TRP 111 1HB TRP 111 5.136 6.074 -0.046 804 2HB TRP 111 2HB TRP 111 5.110 7.818 -0.238 805 HD1 TRP 111 HD1 TRP 111 7.408 4.848 -0.383 806 HE1 TRP 111 HE1 TRP 111 9.772 5.612 -1.054 807 HE3 TRP 111 HE3 TRP 111 6.786 9.907 0.050 808 HZ2 TRP 111 HZ2 TRP 111 11.187 8.034 -1.358 809 HZ3 TRP 111 HZ3 TRP 111 8.695 11.375 -0.450 810 HH2 TRP 111 HH2 TRP 111 10.849 10.456 -1.139 811 H ARG 112 H ARG 112 4.434 9.516 1.923 812 HA ARG 112 HA ARG 112 6.956 10.799 2.629 813 1HB ARG 112 1HB ARG 112 4.412 11.615 1.418 814 2HB ARG 112 2HB ARG 112 5.088 12.777 2.549 815 1HG ARG 112 1HG ARG 112 7.234 12.645 1.258 816 2HG ARG 112 2HG ARG 112 6.365 11.692 0.053 817 1HD ARG 112 1HD ARG 112 5.830 13.635 -0.902 818 2HD ARG 112 2HD ARG 112 4.726 13.875 0.452 819 HE ARG 112 HE ARG 112 7.445 14.751 0.906 820 1HH1 ARG 112 1HH1 ARG 112 4.241 15.622 -0.149 821 2HH1 ARG 112 2HH1 ARG 112 4.467 17.315 0.139 822 1HH2 ARG 112 1HH2 ARG 112 7.751 16.978 1.287 823 2HH2 ARG 112 2HH2 ARG 112 6.462 18.085 0.955 824 H ASN 113 H ASN 113 6.080 9.189 4.630 825 HA ASN 113 HA ASN 113 5.670 11.093 6.758 826 1HB ASN 113 1HB ASN 113 3.365 10.171 5.765 827 2HB ASN 113 2HB ASN 113 3.722 8.851 6.874 828 2HD2 ASN 113 2HD2 ASN 113 4.466 9.668 9.099 829 1HD2 ASN 113 1HD2 ASN 113 3.504 10.927 9.787 830 H ARG 114 H ARG 114 5.344 7.594 6.216 831 HA ARG 114 HA ARG 114 7.082 7.140 8.534 832 1HB ARG 114 1HB ARG 114 4.892 5.621 7.232 833 2HB ARG 114 2HB ARG 114 6.189 4.688 7.958 834 1HG ARG 114 1HG ARG 114 4.888 6.860 9.530 835 2HG ARG 114 2HG ARG 114 4.074 5.306 9.343 836 1HD ARG 114 1HD ARG 114 6.309 4.284 10.103 837 2HD ARG 114 2HD ARG 114 6.702 5.912 10.656 838 HE ARG 114 HE ARG 114 4.301 4.485 11.596 839 1HH1 ARG 114 1HH1 ARG 114 7.217 6.295 12.201 840 2HH1 ARG 114 2HH1 ARG 114 6.937 6.423 13.906 841 1HH2 ARG 114 1HH2 ARG 114 3.925 4.649 13.839 842 2HH2 ARG 114 2HH2 ARG 114 5.067 5.487 14.837 843 H CYS 115 H CYS 115 7.321 7.339 5.244 844 HA CYS 115 HA CYS 115 9.452 5.311 5.139 845 1HB CYS 115 1HB CYS 115 7.556 5.000 3.555 846 2HB CYS 115 2HB CYS 115 7.976 6.540 2.811 847 H LYS 116 H LYS 116 8.633 8.606 4.066 848 HA LYS 116 HA LYS 116 11.026 9.282 2.868 849 1HB LYS 116 1HB LYS 116 8.833 10.616 3.044 850 2HB LYS 116 2HB LYS 116 9.479 11.229 4.560 851 1HG LYS 116 1HG LYS 116 11.478 12.027 3.303 852 2HG LYS 116 2HG LYS 116 10.658 11.560 1.812 853 1HD LYS 116 1HD LYS 116 8.718 13.033 2.868 854 2HD LYS 116 2HD LYS 116 10.085 13.795 3.684 855 1HE LYS 116 1HE LYS 116 10.385 13.334 0.784 856 2HE LYS 116 2HE LYS 116 9.190 14.540 1.258 857 1HZ LYS 116 1HZ LYS 116 11.160 15.342 2.768 858 2HZ LYS 116 2HZ LYS 116 12.098 14.573 1.590 859 3HZ LYS 116 3HZ LYS 116 11.047 15.825 1.151 860 H GLY 117 H GLY 117 12.878 8.601 3.869 861 1HA GLY 117 1HA GLY 117 13.408 9.761 6.533 862 2HA GLY 117 2HA GLY 117 14.602 9.783 5.246 863 H THR 118 H THR 118 13.308 6.903 4.699 864 HA THR 118 HA THR 118 14.972 5.544 6.712 865 HB THR 118 HB THR 118 13.547 3.571 6.427 866 HG1 THR 118 HG1 THR 118 12.129 3.467 4.851 867 1HG2 THR 118 1HG2 THR 118 12.342 6.178 7.242 868 2HG2 THR 118 2HG2 THR 118 11.328 4.736 7.212 869 3HG2 THR 118 3HG2 THR 118 12.769 4.779 8.228 870 H ASP 119 H ASP 119 14.601 2.999 5.209 871 HA ASP 119 HA ASP 119 16.231 3.536 2.843 872 1HB ASP 119 1HB ASP 119 17.459 2.755 4.999 873 2HB ASP 119 2HB ASP 119 16.883 1.194 4.461 874 H VAL 120 H VAL 120 14.869 2.960 1.267 875 HA VAL 120 HA VAL 120 13.065 0.758 1.474 876 HB VAL 120 HB VAL 120 12.549 1.213 -0.889 877 1HG1 VAL 120 1HG1 VAL 120 11.557 2.538 1.007 878 2HG1 VAL 120 2HG1 VAL 120 12.726 3.805 0.630 879 3HG1 VAL 120 3HG1 VAL 120 11.523 3.329 -0.568 880 1HG2 VAL 120 1HG2 VAL 120 15.139 2.389 -0.867 881 2HG2 VAL 120 2HG2 VAL 120 14.053 2.141 -2.233 882 3HG2 VAL 120 3HG2 VAL 120 13.966 3.634 -1.300 883 H GLN 121 H GLN 121 16.249 1.295 0.119 884 HA GLN 121 HA GLN 121 16.448 -0.978 -1.507 885 1HB GLN 121 1HB GLN 121 18.262 0.990 -0.363 886 2HB GLN 121 2HB GLN 121 18.990 -0.610 -0.420 887 1HG GLN 121 1HG GLN 121 17.599 0.253 -2.867 888 2HG GLN 121 2HG GLN 121 19.059 1.148 -2.449 889 2HE2 GLN 121 2HE2 GLN 121 20.627 0.417 -3.695 890 1HE2 GLN 121 1HE2 GLN 121 21.015 -1.244 -3.969 891 H ALA 122 H ALA 122 16.453 -0.557 1.899 892 HA ALA 122 HA ALA 122 17.528 -3.207 2.436 893 1HB ALA 122 1HB ALA 122 17.692 -0.880 3.827 894 2HB ALA 122 2HB ALA 122 16.367 -1.688 4.665 895 3HB ALA 122 3HB ALA 122 17.936 -2.481 4.526 896 H TRP 123 H TRP 123 14.501 -1.610 2.020 897 HA TRP 123 HA TRP 123 12.845 -3.286 3.571 898 1HB TRP 123 1HB TRP 123 12.432 -1.421 1.293 899 2HB TRP 123 2HB TRP 123 11.154 -2.588 1.618 900 HD1 TRP 123 HD1 TRP 123 11.522 0.790 2.214 901 HE1 TRP 123 HE1 TRP 123 10.572 1.582 4.472 902 HE3 TRP 123 HE3 TRP 123 11.251 -3.686 4.638 903 HZ2 TRP 123 HZ2 TRP 123 9.821 0.424 6.923 904 HZ3 TRP 123 HZ3 TRP 123 10.409 -3.767 6.928 905 HH2 TRP 123 HH2 TRP 123 9.701 -1.730 8.059 906 H ILE 124 H ILE 124 14.555 -3.871 0.678 907 HA ILE 124 HA ILE 124 13.082 -6.397 0.304 908 HB ILE 124 HB ILE 124 13.861 -6.261 -2.110 909 1HG1 ILE 124 1HG1 ILE 124 13.798 -3.402 -2.263 910 2HG1 ILE 124 2HG1 ILE 124 15.052 -3.878 -1.123 911 1HG2 ILE 124 1HG2 ILE 124 11.733 -4.549 -0.898 912 2HG2 ILE 124 2HG2 ILE 124 11.992 -4.544 -2.643 913 3HG2 ILE 124 3HG2 ILE 124 11.579 -6.046 -1.818 914 1HD1 ILE 124 1HD1 ILE 124 15.114 -5.479 -3.533 915 2HD1 ILE 124 2HD1 ILE 124 15.282 -3.754 -3.865 916 3HD1 ILE 124 3HD1 ILE 124 16.396 -4.551 -2.754 917 H ARG 125 H ARG 125 15.699 -5.333 1.637 918 HA ARG 125 HA ARG 125 17.857 -6.625 0.345 919 1HB ARG 125 1HB ARG 125 17.440 -5.108 2.739 920 2HB ARG 125 2HB ARG 125 18.366 -6.549 3.133 921 1HG ARG 125 1HG ARG 125 19.174 -4.908 0.784 922 2HG ARG 125 2HG ARG 125 19.564 -4.344 2.410 923 1HD ARG 125 1HD ARG 125 20.790 -6.346 2.878 924 2HD ARG 125 2HD ARG 125 20.252 -7.088 1.372 925 HE ARG 125 HE ARG 125 22.295 -5.028 1.676 926 1HH1 ARG 125 1HH1 ARG 125 20.377 -7.033 -0.431 927 2HH1 ARG 125 2HH1 ARG 125 21.407 -6.800 -1.803 928 1HH2 ARG 125 1HH2 ARG 125 23.658 -4.715 -0.124 929 2HH2 ARG 125 2HH2 ARG 125 23.273 -5.483 -1.629 930 H GLY 126 H GLY 126 17.248 -8.725 -0.201 931 1HA GLY 126 1HA GLY 126 16.866 -10.558 2.085 932 2HA GLY 126 2HA GLY 126 17.966 -10.932 0.767 933 H CYS 127 H CYS 127 15.340 -9.332 -0.488 934 HA CYS 127 HA CYS 127 13.386 -11.335 -0.583 935 1HB CYS 127 1HB CYS 127 13.893 -8.825 -1.964 936 2HB CYS 127 2HB CYS 127 12.804 -9.933 -2.773 937 H ARG 128 H ARG 128 12.620 -11.847 -3.071 938 HA ARG 128 HA ARG 128 14.897 -12.908 -4.560 939 1HB ARG 128 1HB ARG 128 14.153 -14.693 -2.995 940 2HB ARG 128 2HB ARG 128 12.558 -14.636 -3.732 941 1HG ARG 128 1HG ARG 128 13.540 -16.429 -4.795 942 2HG ARG 128 2HG ARG 128 13.821 -15.113 -5.936 943 1HD ARG 128 1HD ARG 128 16.079 -14.822 -5.044 944 2HD ARG 128 2HD ARG 128 15.796 -16.129 -3.895 945 HE ARG 128 HE ARG 128 16.195 -17.635 -5.568 946 1HH1 ARG 128 1HH1 ARG 128 15.590 -14.508 -6.983 947 2HH1 ARG 128 2HH1 ARG 128 16.009 -15.010 -8.586 948 1HH2 ARG 128 1HH2 ARG 128 16.750 -18.304 -7.676 949 2HH2 ARG 128 2HH2 ARG 128 16.669 -17.167 -8.981 950 H LEU 129 H LEU 129 14.455 -11.487 -6.225 951 HA LEU 129 HA LEU 129 12.116 -12.180 -7.841 952 1HB LEU 129 1HB LEU 129 11.759 -9.757 -8.343 953 2HB LEU 129 2HB LEU 129 11.351 -10.235 -6.707 954 HG LEU 129 HG LEU 129 14.078 -9.340 -6.784 955 1HD1 LEU 129 1HD1 LEU 129 12.386 -7.962 -8.605 956 2HD1 LEU 129 2HD1 LEU 129 12.718 -6.901 -7.235 957 3HD1 LEU 129 3HD1 LEU 129 14.052 -7.602 -8.154 958 1HD2 LEU 129 1HD2 LEU 129 11.567 -8.805 -5.328 959 2HD2 LEU 129 2HD2 LEU 129 13.191 -9.122 -4.718 960 3HD2 LEU 129 3HD2 LEU 129 12.771 -7.515 -5.312 No H/Q in entry = 960 Start of MODEL 35 1 H1 LYS 1 H1 LYS 1 -7.235 -8.643 -0.295 2 H2 LYS 1 H2 LYS 1 -8.044 -10.044 0.202 3 H3 LYS 1 H3 LYS 1 -7.448 -8.958 1.354 4 HA LYS 1 HA LYS 1 -5.963 -10.773 1.318 5 1HB LYS 1 1HB LYS 1 -6.838 -10.997 -1.300 6 2HB LYS 1 2HB LYS 1 -5.151 -10.537 -1.479 7 1HG LYS 1 1HG LYS 1 -5.305 -12.548 0.516 8 2HG LYS 1 2HG LYS 1 -6.238 -13.081 -0.883 9 1HD LYS 1 1HD LYS 1 -3.814 -11.892 -1.799 10 2HD LYS 1 2HD LYS 1 -3.426 -13.070 -0.544 11 1HE LYS 1 1HE LYS 1 -5.320 -14.369 -2.063 12 2HE LYS 1 2HE LYS 1 -4.387 -13.478 -3.264 13 1HZ LYS 1 1HZ LYS 1 -2.842 -14.882 -1.248 14 2HZ LYS 1 2HZ LYS 1 -3.686 -15.866 -2.335 15 3HZ LYS 1 3HZ LYS 1 -2.570 -14.732 -2.910 16 H VAL 2 H VAL 2 -3.911 -10.317 1.907 17 HA VAL 2 HA VAL 2 -2.795 -7.747 0.997 18 HB VAL 2 HB VAL 2 -2.359 -9.205 3.608 19 1HG1 VAL 2 1HG1 VAL 2 -0.451 -7.743 2.378 20 2HG1 VAL 2 2HG1 VAL 2 -1.307 -6.474 3.252 21 3HG1 VAL 2 3HG1 VAL 2 -0.628 -7.845 4.129 22 1HG2 VAL 2 1HG2 VAL 2 -4.253 -7.239 2.763 23 2HG2 VAL 2 2HG2 VAL 2 -4.085 -8.015 4.339 24 3HG2 VAL 2 3HG2 VAL 2 -3.187 -6.540 3.982 25 H PHE 3 H PHE 3 -0.967 -7.803 -0.179 26 HA PHE 3 HA PHE 3 0.367 -10.292 -0.687 27 1HB PHE 3 1HB PHE 3 1.140 -7.459 -1.428 28 2HB PHE 3 2HB PHE 3 1.928 -8.909 -2.031 29 HD1 PHE 3 HD1 PHE 3 -1.179 -10.104 -2.020 30 HD2 PHE 3 HD2 PHE 3 1.012 -6.982 -3.901 31 HE1 PHE 3 HE1 PHE 3 -2.741 -10.152 -3.919 32 HE2 PHE 3 HE2 PHE 3 -0.539 -7.025 -5.800 33 HZ PHE 3 HZ PHE 3 -2.418 -8.613 -5.816 34 H GLY 4 H GLY 4 2.934 -10.064 -0.668 35 1HA GLY 4 1HA GLY 4 4.498 -10.574 1.067 36 2HA GLY 4 2HA GLY 4 3.631 -9.466 2.124 37 H ARG 5 H ARG 5 6.497 -9.549 1.430 38 HA ARG 5 HA ARG 5 6.737 -6.748 0.668 39 1HB ARG 5 1HB ARG 5 9.060 -8.479 1.437 40 2HB ARG 5 2HB ARG 5 8.844 -6.751 1.671 41 1HG ARG 5 1HG ARG 5 8.190 -7.141 3.746 42 2HG ARG 5 2HG ARG 5 6.796 -8.028 3.123 43 1HD ARG 5 1HD ARG 5 8.400 -10.014 2.913 44 2HD ARG 5 2HD ARG 5 9.482 -9.085 3.949 45 HE ARG 5 HE ARG 5 6.907 -9.227 5.104 46 1HH1 ARG 5 1HH1 ARG 5 9.734 -11.170 4.488 47 2HH1 ARG 5 2HH1 ARG 5 9.469 -12.215 5.843 48 1HH2 ARG 5 1HH2 ARG 5 6.550 -10.599 6.891 49 2HH2 ARG 5 2HH2 ARG 5 7.659 -11.891 7.208 50 H CYS 6 H CYS 6 8.370 -9.796 -0.231 51 HA CYS 6 HA CYS 6 9.352 -8.549 -2.638 52 1HB CYS 6 1HB CYS 6 9.540 -11.490 -2.204 53 2HB CYS 6 2HB CYS 6 10.688 -10.371 -2.933 54 H GLU 7 H GLU 7 6.847 -10.881 -1.766 55 HA GLU 7 HA GLU 7 6.167 -11.923 -4.209 56 1HB GLU 7 1HB GLU 7 5.021 -12.189 -1.876 57 2HB GLU 7 2HB GLU 7 4.002 -10.861 -2.414 58 1HG GLU 7 1HG GLU 7 4.062 -12.716 -4.521 59 2HG GLU 7 2HG GLU 7 3.834 -13.643 -3.040 60 H LEU 8 H LEU 8 5.008 -8.864 -2.841 61 HA LEU 8 HA LEU 8 3.720 -8.018 -5.215 62 1HB LEU 8 1HB LEU 8 2.998 -6.966 -3.228 63 2HB LEU 8 2HB LEU 8 4.636 -6.553 -2.754 64 HG LEU 8 HG LEU 8 4.687 -5.031 -4.806 65 1HD1 LEU 8 1HD1 LEU 8 2.744 -5.987 -5.938 66 2HD1 LEU 8 2HD1 LEU 8 1.706 -5.433 -4.624 67 3HD1 LEU 8 3HD1 LEU 8 2.542 -4.260 -5.643 68 1HD2 LEU 8 1HD2 LEU 8 3.041 -4.557 -2.356 69 2HD2 LEU 8 2HD2 LEU 8 4.628 -3.914 -2.783 70 3HD2 LEU 8 3HD2 LEU 8 3.184 -3.309 -3.595 71 H ALA 9 H ALA 9 7.012 -7.580 -3.911 72 HA ALA 9 HA ALA 9 7.857 -5.599 -5.706 73 1HB ALA 9 1HB ALA 9 9.309 -5.952 -3.951 74 2HB ALA 9 2HB ALA 9 10.163 -6.685 -5.309 75 3HB ALA 9 3HB ALA 9 9.299 -7.703 -4.157 76 H ALA 10 H ALA 10 8.232 -9.148 -5.972 77 HA ALA 10 HA ALA 10 9.452 -9.258 -8.438 78 1HB ALA 10 1HB ALA 10 8.977 -11.493 -8.429 79 2HB ALA 10 2HB ALA 10 7.316 -11.249 -7.889 80 3HB ALA 10 3HB ALA 10 8.644 -11.136 -6.735 81 H ALA 11 H ALA 11 6.052 -8.869 -7.592 82 HA ALA 11 HA ALA 11 5.045 -8.996 -10.216 83 1HB ALA 11 1HB ALA 11 3.970 -7.818 -7.688 84 2HB ALA 11 2HB ALA 11 3.451 -9.283 -8.522 85 3HB ALA 11 3HB ALA 11 3.090 -7.701 -9.211 86 H MET 12 H MET 12 6.235 -6.437 -8.265 87 HA MET 12 HA MET 12 5.558 -4.226 -9.850 88 1HB MET 12 1HB MET 12 8.153 -4.409 -8.342 89 2HB MET 12 2HB MET 12 7.191 -2.985 -8.656 90 1HG MET 12 1HG MET 12 6.470 -5.235 -6.810 91 2HG MET 12 2HG MET 12 7.031 -3.633 -6.341 92 1HE MET 12 1HE MET 12 5.960 -1.539 -6.959 93 2HE MET 12 2HE MET 12 5.144 -1.729 -8.508 94 3HE MET 12 3HE MET 12 4.220 -1.280 -7.075 95 H LYS 13 H LYS 13 8.545 -6.143 -9.789 96 HA LYS 13 HA LYS 13 9.963 -4.859 -11.778 97 1HB LYS 13 1HB LYS 13 10.802 -6.717 -10.318 98 2HB LYS 13 2HB LYS 13 9.913 -7.849 -11.329 99 1HG LYS 13 1HG LYS 13 11.959 -8.007 -12.299 100 2HG LYS 13 2HG LYS 13 11.298 -6.674 -13.247 101 1HD LYS 13 1HD LYS 13 12.435 -5.065 -11.836 102 2HD LYS 13 2HD LYS 13 13.023 -6.359 -10.791 103 1HE LYS 13 1HE LYS 13 14.854 -5.947 -12.142 104 2HE LYS 13 2HE LYS 13 14.075 -7.297 -12.966 105 1HZ LYS 13 1HZ LYS 13 12.914 -5.054 -14.029 106 2HZ LYS 13 2HZ LYS 13 14.551 -4.649 -13.899 107 3HZ LYS 13 3HZ LYS 13 14.087 -6.025 -14.767 108 H ARG 14 H ARG 14 7.635 -7.512 -12.092 109 HA ARG 14 HA ARG 14 7.804 -7.758 -14.889 110 1HB ARG 14 1HB ARG 14 6.389 -9.005 -12.817 111 2HB ARG 14 2HB ARG 14 5.153 -8.343 -13.878 112 1HG ARG 14 1HG ARG 14 5.493 -9.928 -15.392 113 2HG ARG 14 2HG ARG 14 7.236 -9.648 -15.390 114 1HD ARG 14 1HD ARG 14 7.600 -11.459 -14.148 115 2HD ARG 14 2HD ARG 14 6.392 -10.964 -12.965 116 HE ARG 14 HE ARG 14 4.967 -11.937 -15.102 117 1HH1 ARG 14 1HH1 ARG 14 7.399 -13.171 -12.933 118 2HH1 ARG 14 2HH1 ARG 14 6.834 -14.805 -13.024 119 1HH2 ARG 14 1HH2 ARG 14 4.217 -14.085 -15.227 120 2HH2 ARG 14 2HH2 ARG 14 5.025 -15.325 -14.328 121 H HIS 15 H HIS 15 5.746 -5.784 -12.777 122 HA HIS 15 HA HIS 15 4.191 -4.740 -14.913 123 1HB HIS 15 1HB HIS 15 4.450 -4.246 -11.986 124 2HB HIS 15 2HB HIS 15 3.656 -3.020 -12.969 125 HD1 HIS 15 HD1 HIS 15 2.332 -4.965 -10.770 126 HD2 HIS 15 HD2 HIS 15 2.053 -5.289 -14.903 127 HE1 HIS 15 HE1 HIS 15 0.229 -6.273 -11.201 128 HE2 HIS 15 HE2 HIS 15 0.127 -6.531 -13.706 129 H GLY 16 H GLY 16 7.398 -4.095 -14.096 130 1HA GLY 16 1HA GLY 16 7.384 -1.813 -15.786 131 2HA GLY 16 2HA GLY 16 8.775 -2.550 -15.023 132 H LEU 17 H LEU 17 7.397 -2.124 -12.253 133 HA LEU 17 HA LEU 17 7.508 0.776 -12.191 134 1HB LEU 17 1HB LEU 17 7.141 -0.906 -9.752 135 2HB LEU 17 2HB LEU 17 6.570 0.718 -10.058 136 HG LEU 17 HG LEU 17 5.328 -1.877 -10.685 137 1HD1 LEU 17 1HD1 LEU 17 4.733 0.376 -9.195 138 2HD1 LEU 17 2HD1 LEU 17 3.661 0.498 -10.590 139 3HD1 LEU 17 3HD1 LEU 17 3.631 -0.947 -9.579 140 1HD2 LEU 17 1HD2 LEU 17 5.387 0.383 -12.647 141 2HD2 LEU 17 2HD2 LEU 17 5.444 -1.355 -12.938 142 3HD2 LEU 17 3HD2 LEU 17 3.926 -0.589 -12.473 143 H ASP 18 H ASP 18 9.663 -1.649 -12.006 144 HA ASP 18 HA ASP 18 11.320 -0.690 -9.886 145 1HB ASP 18 1HB ASP 18 11.774 -2.905 -10.254 146 2HB ASP 18 2HB ASP 18 11.584 -2.773 -11.993 147 H ASN 19 H ASN 19 11.814 1.389 -10.125 148 HA ASN 19 HA ASN 19 12.952 3.237 -10.759 149 1HB ASN 19 1HB ASN 19 14.706 1.210 -11.232 150 2HB ASN 19 2HB ASN 19 14.575 1.907 -12.844 151 2HD2 ASN 19 2HD2 ASN 19 16.483 2.907 -13.031 152 1HD2 ASN 19 1HD2 ASN 19 17.048 4.157 -11.982 153 H TYR 20 H TYR 20 10.551 2.542 -12.018 154 HA TYR 20 HA TYR 20 10.689 3.080 -14.818 155 1HB TYR 20 1HB TYR 20 8.729 1.990 -13.681 156 2HB TYR 20 2HB TYR 20 8.355 3.540 -12.936 157 HD1 TYR 20 HD1 TYR 20 8.855 1.985 -16.293 158 HD2 TYR 20 HD2 TYR 20 6.885 4.981 -14.004 159 HE1 TYR 20 HE1 TYR 20 7.513 2.597 -18.260 160 HE2 TYR 20 HE2 TYR 20 5.537 5.601 -15.963 161 HH TYR 20 HH TYR 20 5.907 3.899 -19.062 162 H ARG 21 H ARG 21 9.678 5.161 -15.728 163 HA ARG 21 HA ARG 21 11.067 7.339 -15.495 164 1HB ARG 21 1HB ARG 21 8.270 6.903 -16.076 165 2HB ARG 21 2HB ARG 21 8.508 8.475 -15.325 166 1HG ARG 21 1HG ARG 21 9.969 9.182 -17.035 167 2HG ARG 21 2HG ARG 21 10.132 7.545 -17.673 168 1HD ARG 21 1HD ARG 21 7.757 7.570 -18.301 169 2HD ARG 21 2HD ARG 21 7.623 9.220 -17.692 170 HE ARG 21 HE ARG 21 9.688 9.038 -19.619 171 1HH1 ARG 21 1HH1 ARG 21 6.217 9.077 -19.315 172 2HH1 ARG 21 2HH1 ARG 21 5.957 9.739 -20.895 173 1HH2 ARG 21 1HH2 ARG 21 9.355 9.910 -21.700 174 2HH2 ARG 21 2HH2 ARG 21 7.741 10.212 -22.250 175 H GLY 22 H GLY 22 8.757 6.343 -13.064 176 1HA GLY 22 1HA GLY 22 8.216 7.239 -11.001 177 2HA GLY 22 2HA GLY 22 9.169 8.660 -11.399 178 H TYR 23 H TYR 23 9.144 5.571 -9.842 179 HA TYR 23 HA TYR 23 11.956 5.958 -9.091 180 1HB TYR 23 1HB TYR 23 9.620 5.507 -7.255 181 2HB TYR 23 2HB TYR 23 11.286 5.259 -6.747 182 HD1 TYR 23 HD1 TYR 23 8.919 7.802 -8.039 183 HD2 TYR 23 HD2 TYR 23 12.629 7.088 -6.085 184 HE1 TYR 23 HE1 TYR 23 9.098 10.197 -7.522 185 HE2 TYR 23 HE2 TYR 23 12.818 9.482 -5.560 186 HH TYR 23 HH TYR 23 10.298 11.608 -5.726 187 H SER 24 H SER 24 12.660 4.099 -7.560 188 HA SER 24 HA SER 24 12.511 1.709 -9.162 189 1HB SER 24 1HB SER 24 14.387 0.934 -7.892 190 2HB SER 24 2HB SER 24 14.661 2.636 -8.260 191 HG SER 24 HG SER 24 14.822 2.925 -6.197 192 H LEU 25 H LEU 25 12.501 -0.406 -8.036 193 HA LEU 25 HA LEU 25 10.097 -1.107 -7.052 194 1HB LEU 25 1HB LEU 25 12.774 -2.254 -7.076 195 2HB LEU 25 2HB LEU 25 11.785 -2.863 -5.761 196 HG LEU 25 HG LEU 25 10.603 -2.809 -8.482 197 1HD1 LEU 25 1HD1 LEU 25 13.069 -3.803 -8.357 198 2HD1 LEU 25 2HD1 LEU 25 12.182 -5.207 -7.760 199 3HD1 LEU 25 3HD1 LEU 25 11.802 -4.530 -9.344 200 1HD2 LEU 25 1HD2 LEU 25 10.438 -4.593 -6.063 201 2HD2 LEU 25 2HD2 LEU 25 9.190 -3.530 -6.715 202 3HD2 LEU 25 3HD2 LEU 25 9.670 -4.976 -7.605 203 H GLY 26 H GLY 26 12.942 -0.632 -4.929 204 1HA GLY 26 1HA GLY 26 13.067 0.212 -2.788 205 2HA GLY 26 2HA GLY 26 11.862 -1.026 -2.485 206 H ASN 27 H ASN 27 11.432 1.915 -4.400 207 HA ASN 27 HA ASN 27 10.156 3.392 -2.340 208 1HB ASN 27 1HB ASN 27 9.759 3.836 -5.294 209 2HB ASN 27 2HB ASN 27 9.669 5.021 -3.993 210 2HD2 ASN 27 2HD2 ASN 27 11.585 5.741 -3.020 211 1HD2 ASN 27 1HD2 ASN 27 13.112 5.582 -3.810 212 H TRP 28 H TRP 28 8.986 1.195 -4.804 213 HA TRP 28 HA TRP 28 6.216 1.801 -4.465 214 1HB TRP 28 1HB TRP 28 7.587 -0.594 -5.680 215 2HB TRP 28 2HB TRP 28 5.853 -0.269 -5.769 216 HD1 TRP 28 HD1 TRP 28 9.127 0.662 -7.332 217 HE1 TRP 28 HE1 TRP 28 8.744 2.378 -9.200 218 HE3 TRP 28 HE3 TRP 28 4.206 1.689 -6.468 219 HZ2 TRP 28 HZ2 TRP 28 6.613 3.944 -10.213 220 HZ3 TRP 28 HZ3 TRP 28 3.047 3.292 -7.928 221 HH2 TRP 28 HH2 TRP 28 4.231 4.402 -9.768 222 H VAL 29 H VAL 29 8.402 -0.650 -3.125 223 HA VAL 29 HA VAL 29 6.382 -2.098 -1.783 224 HB VAL 29 HB VAL 29 9.339 -1.915 -1.192 225 1HG1 VAL 29 1HG1 VAL 29 7.280 -3.145 0.281 226 2HG1 VAL 29 2HG1 VAL 29 8.168 -4.437 -0.528 227 3HG1 VAL 29 3HG1 VAL 29 9.022 -3.296 0.512 228 1HG2 VAL 29 1HG2 VAL 29 8.352 -2.740 -3.513 229 2HG2 VAL 29 2HG2 VAL 29 9.745 -3.516 -2.757 230 3HG2 VAL 29 3HG2 VAL 29 8.142 -4.236 -2.600 231 H CYS 30 H CYS 30 8.715 0.331 -0.701 232 HA CYS 30 HA CYS 30 7.950 0.419 1.975 233 1HB CYS 30 1HB CYS 30 9.981 1.467 0.849 234 2HB CYS 30 2HB CYS 30 8.919 2.794 0.393 235 H ALA 31 H ALA 31 6.830 2.410 -0.764 236 HA ALA 31 HA ALA 31 5.057 4.012 0.714 237 1HB ALA 31 1HB ALA 31 5.357 3.352 -2.181 238 2HB ALA 31 2HB ALA 31 3.953 4.265 -1.629 239 3HB ALA 31 3HB ALA 31 5.578 4.892 -1.351 240 H ALA 32 H ALA 32 4.500 1.032 -1.140 241 HA ALA 32 HA ALA 32 1.706 0.949 -0.671 242 1HB ALA 32 1HB ALA 32 2.547 -0.255 -2.529 243 2HB ALA 32 2HB ALA 32 1.940 -1.454 -1.387 244 3HB ALA 32 3HB ALA 32 3.673 -1.161 -1.521 245 H LYS 33 H LYS 33 4.438 -0.714 0.890 246 HA LYS 33 HA LYS 33 3.144 -2.376 2.616 247 1HB LYS 33 1HB LYS 33 5.589 -2.256 2.363 248 2HB LYS 33 2HB LYS 33 5.598 -0.727 3.227 249 1HG LYS 33 1HG LYS 33 4.666 -1.895 5.206 250 2HG LYS 33 2HG LYS 33 4.826 -3.418 4.329 251 1HD LYS 33 1HD LYS 33 7.312 -2.162 4.095 252 2HD LYS 33 2HD LYS 33 6.819 -1.913 5.770 253 1HE LYS 33 1HE LYS 33 6.417 -4.623 4.664 254 2HE LYS 33 2HE LYS 33 8.088 -4.117 4.914 255 1HZ LYS 33 1HZ LYS 33 7.074 -3.382 7.224 256 2HZ LYS 33 2HZ LYS 33 5.987 -4.629 6.874 257 3HZ LYS 33 3HZ LYS 33 7.645 -4.953 6.957 258 H PHE 34 H PHE 34 4.139 0.961 3.399 259 HA PHE 34 HA PHE 34 2.662 0.906 5.827 260 1HB PHE 34 1HB PHE 34 4.358 2.825 4.458 261 2HB PHE 34 2HB PHE 34 3.189 3.509 5.568 262 HD1 PHE 34 HD1 PHE 34 3.133 2.382 7.932 263 HD2 PHE 34 HD2 PHE 34 6.419 2.165 5.236 264 HE1 PHE 34 HE1 PHE 34 4.635 1.862 9.810 265 HE2 PHE 34 HE2 PHE 34 7.927 1.644 7.110 266 HZ PHE 34 HZ PHE 34 7.034 1.491 9.400 267 H GLU 35 H GLU 35 1.843 1.685 2.600 268 HA GLU 35 HA GLU 35 -0.194 3.558 3.077 269 1HB GLU 35 1HB GLU 35 0.955 2.182 0.879 270 2HB GLU 35 2HB GLU 35 -0.782 1.920 0.806 271 1HG GLU 35 1HG GLU 35 -1.244 4.174 0.547 272 2HG GLU 35 2HG GLU 35 0.308 4.670 1.219 273 H SER 36 H SER 36 -0.410 0.078 2.386 274 HA SER 36 HA SER 36 -2.981 0.017 3.837 275 1HB SER 36 1HB SER 36 -3.700 -1.684 2.074 276 2HB SER 36 2HB SER 36 -3.567 -0.017 1.519 277 HG SER 36 HG SER 36 -2.162 -2.225 0.762 278 H ASN 37 H ASN 37 -0.016 -0.953 4.228 279 HA ASN 37 HA ASN 37 1.023 -2.725 5.244 280 1HB ASN 37 1HB ASN 37 -1.829 -3.044 6.090 281 2HB ASN 37 2HB ASN 37 -0.723 -4.382 6.388 282 2HD2 ASN 37 2HD2 ASN 37 -2.133 -2.130 7.999 283 1HD2 ASN 37 1HD2 ASN 37 -0.885 -1.594 9.065 284 H PHE 38 H PHE 38 0.136 -2.764 2.506 285 HA PHE 38 HA PHE 38 0.340 -4.029 0.699 286 1HB PHE 38 1HB PHE 38 1.051 -6.114 2.742 287 2HB PHE 38 2HB PHE 38 0.918 -6.507 1.030 288 HD1 PHE 38 HD1 PHE 38 2.018 -4.204 -0.298 289 HD2 PHE 38 HD2 PHE 38 3.304 -6.121 3.276 290 HE1 PHE 38 HE1 PHE 38 4.294 -3.358 -0.675 291 HE2 PHE 38 HE2 PHE 38 5.584 -5.273 2.909 292 HZ PHE 38 HZ PHE 38 6.085 -3.899 0.929 293 H ASN 39 H ASN 39 -2.177 -3.630 2.232 294 HA ASN 39 HA ASN 39 -3.734 -5.977 1.500 295 1HB ASN 39 1HB ASN 39 -4.072 -4.544 3.633 296 2HB ASN 39 2HB ASN 39 -4.870 -3.399 2.560 297 2HD2 ASN 39 2HD2 ASN 39 -5.904 -5.035 4.778 298 1HD2 ASN 39 1HD2 ASN 39 -7.215 -5.941 4.111 299 H THR 40 H THR 40 -4.177 -6.154 -0.575 300 HA THR 40 HA THR 40 -4.352 -3.881 -2.319 301 HB THR 40 HB THR 40 -4.260 -5.378 -4.055 302 HG1 THR 40 HG1 THR 40 -5.216 -7.663 -2.857 303 1HG2 THR 40 1HG2 THR 40 -2.696 -6.043 -1.877 304 2HG2 THR 40 2HG2 THR 40 -3.380 -7.585 -2.389 305 3HG2 THR 40 3HG2 THR 40 -2.468 -6.602 -3.534 306 H GLN 41 H GLN 41 -6.474 -5.580 -0.345 307 HA GLN 41 HA GLN 41 -8.826 -4.717 -1.869 308 1HB GLN 41 1HB GLN 41 -8.224 -6.975 -0.053 309 2HB GLN 41 2HB GLN 41 -9.841 -6.314 0.031 310 1HG GLN 41 1HG GLN 41 -9.663 -6.551 -2.606 311 2HG GLN 41 2HG GLN 41 -8.506 -7.801 -2.148 312 2HE2 GLN 41 2HE2 GLN 41 -11.596 -7.333 -2.978 313 1HE2 GLN 41 1HE2 GLN 41 -12.348 -8.649 -2.148 314 H ALA 42 H ALA 42 -6.939 -3.530 0.494 315 HA ALA 42 HA ALA 42 -8.886 -2.826 2.466 316 1HB ALA 42 1HB ALA 42 -6.883 -1.119 2.976 317 2HB ALA 42 2HB ALA 42 -6.016 -2.332 2.036 318 3HB ALA 42 3HB ALA 42 -6.885 -2.804 3.495 319 H THR 43 H THR 43 -9.793 -0.881 2.898 320 HA THR 43 HA THR 43 -9.699 1.163 0.775 321 HB THR 43 HB THR 43 -11.983 1.432 0.768 322 HG1 THR 43 HG1 THR 43 -12.861 0.124 2.952 323 1HG2 THR 43 1HG2 THR 43 -11.157 -1.130 0.478 324 2HG2 THR 43 2HG2 THR 43 -12.363 -1.320 1.751 325 3HG2 THR 43 3HG2 THR 43 -12.815 -0.593 0.209 326 H ASN 44 H ASN 44 -9.498 3.285 1.472 327 HA ASN 44 HA ASN 44 -9.555 3.729 4.382 328 1HB ASN 44 1HB ASN 44 -7.237 3.636 3.010 329 2HB ASN 44 2HB ASN 44 -7.643 5.334 2.781 330 2HD2 ASN 44 2HD2 ASN 44 -8.430 6.395 4.896 331 1HD2 ASN 44 1HD2 ASN 44 -7.448 6.086 6.283 332 H ARG 45 H ARG 45 -11.507 4.763 4.438 333 HA ARG 45 HA ARG 45 -12.251 6.792 2.572 334 1HB ARG 45 1HB ARG 45 -13.635 5.236 4.312 335 2HB ARG 45 2HB ARG 45 -13.595 6.754 5.200 336 1HG ARG 45 1HG ARG 45 -14.330 7.667 2.789 337 2HG ARG 45 2HG ARG 45 -15.017 6.043 2.719 338 1HD ARG 45 1HD ARG 45 -16.671 6.613 4.093 339 2HD ARG 45 2HD ARG 45 -15.534 7.256 5.278 340 HE ARG 45 HE ARG 45 -15.907 9.377 4.456 341 1HH1 ARG 45 1HH1 ARG 45 -17.364 7.014 2.351 342 2HH1 ARG 45 2HH1 ARG 45 -18.251 8.187 1.436 343 1HH2 ARG 45 1HH2 ARG 45 -17.073 10.928 3.258 344 2HH2 ARG 45 2HH2 ARG 45 -18.085 10.412 1.952 345 H ASN 46 H ASN 46 -11.845 8.904 2.601 346 HA ASN 46 HA ASN 46 -10.508 10.021 4.972 347 1HB ASN 46 1HB ASN 46 -10.481 11.333 2.275 348 2HB ASN 46 2HB ASN 46 -9.311 11.467 3.584 349 2HD2 ASN 46 2HD2 ASN 46 -9.984 10.055 0.647 350 1HD2 ASN 46 1HD2 ASN 46 -8.778 8.817 0.662 351 H THR 47 H THR 47 -10.814 12.533 5.015 352 HA THR 47 HA THR 47 -13.647 12.965 5.384 353 HB THR 47 HB THR 47 -12.971 15.157 6.320 354 HG1 THR 47 HG1 THR 47 -10.294 14.282 5.915 355 1HG2 THR 47 1HG2 THR 47 -12.769 12.749 7.489 356 2HG2 THR 47 2HG2 THR 47 -11.093 13.280 7.628 357 3HG2 THR 47 3HG2 THR 47 -12.388 14.256 8.322 358 H ASP 48 H ASP 48 -11.316 13.620 2.966 359 HA ASP 48 HA ASP 48 -12.509 15.958 1.856 360 1HB ASP 48 1HB ASP 48 -11.121 15.341 -0.168 361 2HB ASP 48 2HB ASP 48 -10.224 15.567 1.331 362 H GLY 49 H GLY 49 -13.474 12.743 1.923 363 1HA GLY 49 1HA GLY 49 -15.348 13.245 -0.300 364 2HA GLY 49 2HA GLY 49 -15.681 12.211 1.081 365 H SER 50 H SER 50 -12.633 12.146 -0.635 366 HA SER 50 HA SER 50 -13.352 9.946 -2.324 367 1HB SER 50 1HB SER 50 -10.679 9.879 -2.447 368 2HB SER 50 2HB SER 50 -11.633 11.068 -3.331 369 HG SER 50 HG SER 50 -9.902 11.410 -1.238 370 H THR 51 H THR 51 -11.237 8.212 -2.164 371 HA THR 51 HA THR 51 -10.891 7.230 0.514 372 HB THR 51 HB THR 51 -12.400 5.417 -1.360 373 HG1 THR 51 HG1 THR 51 -14.186 6.397 -0.817 374 1HG2 THR 51 1HG2 THR 51 -11.017 4.874 0.931 375 2HG2 THR 51 2HG2 THR 51 -12.655 5.109 1.542 376 3HG2 THR 51 3HG2 THR 51 -12.343 3.899 0.296 377 H ASP 52 H ASP 52 -9.629 5.135 0.488 378 HA ASP 52 HA ASP 52 -7.920 5.016 -1.911 379 1HB ASP 52 1HB ASP 52 -7.216 4.452 0.980 380 2HB ASP 52 2HB ASP 52 -6.128 4.218 -0.384 381 H TYR 53 H TYR 53 -9.076 3.438 -2.975 382 HA TYR 53 HA TYR 53 -9.525 0.912 -1.583 383 1HB TYR 53 1HB TYR 53 -10.384 1.761 -4.353 384 2HB TYR 53 2HB TYR 53 -10.851 0.277 -3.534 385 HD1 TYR 53 HD1 TYR 53 -12.072 0.600 -1.235 386 HD2 TYR 53 HD2 TYR 53 -11.788 3.594 -4.241 387 HE1 TYR 53 HE1 TYR 53 -14.043 1.725 -0.291 388 HE2 TYR 53 HE2 TYR 53 -13.760 4.727 -3.308 389 HH TYR 53 HH TYR 53 -14.871 4.788 -0.878 390 H GLY 54 H GLY 54 -7.132 0.468 -1.543 391 1HA GLY 54 1HA GLY 54 -5.846 -0.022 -4.058 392 2HA GLY 54 2HA GLY 54 -6.433 -1.506 -3.333 393 H ILE 55 H ILE 55 -4.120 -2.039 -3.455 394 HA ILE 55 HA ILE 55 -2.882 -1.771 -0.902 395 HB ILE 55 HB ILE 55 -2.538 -3.732 -2.468 396 1HG1 ILE 55 1HG1 ILE 55 0.035 -2.357 -1.665 397 2HG1 ILE 55 2HG1 ILE 55 -1.028 -3.184 -0.530 398 1HG2 ILE 55 1HG2 ILE 55 -0.791 -1.761 -3.936 399 2HG2 ILE 55 2HG2 ILE 55 -0.853 -3.497 -4.239 400 3HG2 ILE 55 3HG2 ILE 55 -2.275 -2.497 -4.540 401 1HD1 ILE 55 1HD1 ILE 55 -0.020 -4.649 -2.919 402 2HD1 ILE 55 2HD1 ILE 55 1.038 -4.402 -1.530 403 3HD1 ILE 55 3HD1 ILE 55 -0.488 -5.263 -1.334 404 H LEU 56 H LEU 56 -2.887 -0.029 -3.845 405 HA LEU 56 HA LEU 56 -0.684 1.695 -2.939 406 1HB LEU 56 1HB LEU 56 -1.237 0.555 -5.487 407 2HB LEU 56 2HB LEU 56 -1.504 2.281 -5.624 408 HG LEU 56 HG LEU 56 0.740 2.003 -6.255 409 1HD1 LEU 56 1HD1 LEU 56 0.211 3.620 -4.252 410 2HD1 LEU 56 2HD1 LEU 56 1.258 2.509 -3.368 411 3HD1 LEU 56 3HD1 LEU 56 1.868 3.348 -4.795 412 1HD2 LEU 56 1HD2 LEU 56 0.650 -0.194 -4.322 413 2HD2 LEU 56 2HD2 LEU 56 1.577 -0.025 -5.813 414 3HD2 LEU 56 3HD2 LEU 56 2.165 0.709 -4.322 415 H GLN 57 H GLN 57 -3.839 1.445 -2.608 416 HA GLN 57 HA GLN 57 -5.487 2.867 -2.028 417 1HB GLN 57 1HB GLN 57 -3.423 5.034 -2.438 418 2HB GLN 57 2HB GLN 57 -4.977 5.234 -1.641 419 1HG GLN 57 1HG GLN 57 -4.181 3.431 -0.023 420 2HG GLN 57 2HG GLN 57 -2.579 3.705 -0.705 421 2HE2 GLN 57 2HE2 GLN 57 -2.227 6.250 -0.946 422 1HE2 GLN 57 1HE2 GLN 57 -2.468 7.114 0.530 423 H ILE 58 H ILE 58 -6.390 2.106 -4.185 424 HA ILE 58 HA ILE 58 -6.189 4.062 -6.310 425 HB ILE 58 HB ILE 58 -8.017 1.672 -6.275 426 1HG1 ILE 58 1HG1 ILE 58 -5.886 0.740 -5.751 427 2HG1 ILE 58 2HG1 ILE 58 -6.124 0.492 -7.476 428 1HG2 ILE 58 1HG2 ILE 58 -8.371 3.303 -8.050 429 2HG2 ILE 58 2HG2 ILE 58 -6.674 3.182 -8.512 430 3HG2 ILE 58 3HG2 ILE 58 -7.741 1.790 -8.701 431 1HD1 ILE 58 1HD1 ILE 58 -4.818 2.857 -7.486 432 2HD1 ILE 58 2HD1 ILE 58 -4.124 2.095 -6.054 433 3HD1 ILE 58 3HD1 ILE 58 -4.035 1.283 -7.617 434 H ASN 59 H ASN 59 -7.187 5.900 -5.598 435 HA ASN 59 HA ASN 59 -9.649 5.959 -4.237 436 1HB ASN 59 1HB ASN 59 -8.072 7.850 -4.238 437 2HB ASN 59 2HB ASN 59 -8.350 8.086 -5.961 438 2HD2 ASN 59 2HD2 ASN 59 -8.911 10.260 -5.253 439 1HD2 ASN 59 1HD2 ASN 59 -10.524 10.575 -4.721 440 H SER 60 H SER 60 -11.302 4.848 -5.188 441 HA SER 60 HA SER 60 -11.783 4.740 -7.955 442 1HB SER 60 1HB SER 60 -13.642 3.470 -7.432 443 2HB SER 60 2HB SER 60 -12.690 3.277 -5.960 444 HG SER 60 HG SER 60 -14.754 3.826 -5.356 445 H ARG 61 H ARG 61 -12.226 7.318 -5.812 446 HA ARG 61 HA ARG 61 -14.546 8.437 -7.127 447 1HB ARG 61 1HB ARG 61 -13.728 8.742 -4.644 448 2HB ARG 61 2HB ARG 61 -12.756 10.033 -5.338 449 1HG ARG 61 1HG ARG 61 -14.907 10.933 -6.326 450 2HG ARG 61 2HG ARG 61 -15.747 9.789 -5.279 451 1HD ARG 61 1HD ARG 61 -15.713 11.478 -3.798 452 2HD ARG 61 2HD ARG 61 -14.056 10.948 -3.512 453 HE ARG 61 HE ARG 61 -13.672 12.689 -5.471 454 1HH1 ARG 61 1HH1 ARG 61 -15.675 12.932 -2.629 455 2HH1 ARG 61 2HH1 ARG 61 -15.519 14.653 -2.510 456 1HH2 ARG 61 1HH2 ARG 61 -13.463 14.955 -5.321 457 2HH2 ARG 61 2HH2 ARG 61 -14.263 15.802 -4.040 458 H TRP 62 H TRP 62 -11.136 9.382 -6.786 459 HA TRP 62 HA TRP 62 -11.349 11.341 -8.892 460 1HB TRP 62 1HB TRP 62 -9.498 10.756 -6.803 461 2HB TRP 62 2HB TRP 62 -8.618 10.722 -8.328 462 HD1 TRP 62 HD1 TRP 62 -9.366 13.053 -9.944 463 HE1 TRP 62 HE1 TRP 62 -9.308 15.492 -9.125 464 HE3 TRP 62 HE3 TRP 62 -9.559 12.224 -4.903 465 HZ2 TRP 62 HZ2 TRP 62 -9.338 16.881 -6.669 466 HZ3 TRP 62 HZ3 TRP 62 -9.539 14.162 -3.387 467 HH2 TRP 62 HH2 TRP 62 -9.430 16.442 -4.254 468 H TRP 63 H TRP 63 -9.898 8.153 -8.474 469 HA TRP 63 HA TRP 63 -9.348 8.042 -11.359 470 1HB TRP 63 1HB TRP 63 -8.381 6.069 -9.284 471 2HB TRP 63 2HB TRP 63 -7.779 6.301 -10.920 472 HD1 TRP 63 HD1 TRP 63 -6.730 6.975 -7.545 473 HE1 TRP 63 HE1 TRP 63 -5.044 8.921 -7.443 474 HE3 TRP 63 HE3 TRP 63 -7.519 8.948 -12.168 475 HZ2 TRP 63 HZ2 TRP 63 -4.169 11.029 -9.124 476 HZ3 TRP 63 HZ3 TRP 63 -6.258 10.924 -12.855 477 HH2 TRP 63 HH2 TRP 63 -4.600 11.950 -11.367 478 H CYS 64 H CYS 64 -9.811 6.075 -12.477 479 HA CYS 64 HA CYS 64 -11.314 4.607 -13.303 480 1HB CYS 64 1HB CYS 64 -11.330 2.612 -12.157 481 2HB CYS 64 2HB CYS 64 -9.997 3.430 -11.356 482 H ASN 65 H ASN 65 -13.426 3.794 -13.429 483 HA ASN 65 HA ASN 65 -15.377 5.526 -12.078 484 1HB ASN 65 1HB ASN 65 -15.308 5.424 -14.602 485 2HB ASN 65 2HB ASN 65 -15.833 3.748 -14.481 486 2HD2 ASN 65 2HD2 ASN 65 -17.904 3.309 -13.590 487 1HD2 ASN 65 1HD2 ASN 65 -19.152 4.502 -13.640 488 H ASP 66 H ASP 66 -16.165 4.645 -10.280 489 HA ASP 66 HA ASP 66 -16.519 1.743 -10.135 490 1HB ASP 66 1HB ASP 66 -16.671 2.009 -7.750 491 2HB ASP 66 2HB ASP 66 -15.287 2.936 -8.319 492 H GLY 67 H GLY 67 -18.329 4.599 -10.598 493 1HA GLY 67 1HA GLY 67 -20.758 3.131 -10.875 494 2HA GLY 67 2HA GLY 67 -20.576 4.872 -11.014 495 H ARG 68 H ARG 68 -19.351 3.654 -8.093 496 HA ARG 68 HA ARG 68 -21.842 3.733 -6.641 497 1HB ARG 68 1HB ARG 68 -19.251 2.685 -6.195 498 2HB ARG 68 2HB ARG 68 -19.552 3.855 -4.917 499 1HG ARG 68 1HG ARG 68 -21.272 2.644 -4.020 500 2HG ARG 68 2HG ARG 68 -21.674 1.872 -5.554 501 1HD ARG 68 1HD ARG 68 -20.642 0.084 -4.668 502 2HD ARG 68 2HD ARG 68 -19.165 0.927 -5.133 503 HE ARG 68 HE ARG 68 -19.589 1.905 -2.684 504 1HH1 ARG 68 1HH1 ARG 68 -19.656 -1.361 -3.895 505 2HH1 ARG 68 2HH1 ARG 68 -19.147 -2.064 -2.396 506 1HH2 ARG 68 1HH2 ARG 68 -18.920 0.988 -0.707 507 2HH2 ARG 68 2HH2 ARG 68 -18.730 -0.729 -0.584 508 H THR 69 H THR 69 -19.949 6.079 -7.905 509 HA THR 69 HA THR 69 -21.008 8.069 -6.063 510 HB THR 69 HB THR 69 -18.100 8.273 -6.788 511 HG1 THR 69 HG1 THR 69 -18.437 7.484 -4.239 512 1HG2 THR 69 1HG2 THR 69 -19.977 9.581 -4.865 513 2HG2 THR 69 2HG2 THR 69 -18.256 9.512 -4.484 514 3HG2 THR 69 3HG2 THR 69 -18.802 10.310 -5.959 515 HA PRO 70 HA PRO 70 -21.785 9.878 -10.079 516 1HB PRO 70 1HB PRO 70 -22.408 12.283 -8.471 517 2HB PRO 70 2HB PRO 70 -23.417 11.410 -9.628 518 1HG PRO 70 1HG PRO 70 -23.879 11.256 -7.001 519 2HG PRO 70 2HG PRO 70 -24.100 9.851 -8.060 520 1HD PRO 70 1HD PRO 70 -21.843 10.486 -6.198 521 2HD PRO 70 2HD PRO 70 -22.633 8.928 -6.524 522 H GLY 71 H GLY 71 -19.583 10.996 -7.678 523 1HA GLY 71 1HA GLY 71 -17.896 12.592 -7.729 524 2HA GLY 71 2HA GLY 71 -18.535 13.179 -9.256 525 H SER 72 H SER 72 -18.232 9.894 -9.503 526 HA SER 72 HA SER 72 -15.548 9.351 -9.809 527 1HB SER 72 1HB SER 72 -16.958 7.492 -9.963 528 2HB SER 72 2HB SER 72 -18.001 8.261 -11.158 529 HG SER 72 HG SER 72 -16.656 6.686 -12.111 530 H ARG 73 H ARG 73 -14.228 10.761 -10.805 531 HA ARG 73 HA ARG 73 -14.901 12.185 -13.170 532 1HB ARG 73 1HB ARG 73 -12.589 11.958 -11.381 533 2HB ARG 73 2HB ARG 73 -12.158 12.254 -13.059 534 1HG ARG 73 1HG ARG 73 -14.124 14.073 -12.732 535 2HG ARG 73 2HG ARG 73 -13.457 14.014 -11.100 536 1HD ARG 73 1HD ARG 73 -11.168 14.220 -12.298 537 2HD ARG 73 2HD ARG 73 -12.123 14.794 -13.663 538 HE ARG 73 HE ARG 73 -11.592 16.192 -11.198 539 1HH1 ARG 73 1HH1 ARG 73 -13.667 15.938 -13.986 540 2HH1 ARG 73 2HH1 ARG 73 -14.225 17.575 -13.879 541 1HH2 ARG 73 1HH2 ARG 73 -12.322 18.346 -11.050 542 2HH2 ARG 73 2HH2 ARG 73 -13.461 18.943 -12.211 543 H ASN 74 H ASN 74 -13.035 9.258 -12.527 544 HA ASN 74 HA ASN 74 -12.411 7.519 -13.878 545 1HB ASN 74 1HB ASN 74 -14.751 8.034 -14.914 546 2HB ASN 74 2HB ASN 74 -13.831 8.782 -16.216 547 2HD2 ASN 74 2HD2 ASN 74 -13.080 5.916 -14.295 548 1HD2 ASN 74 1HD2 ASN 74 -13.058 4.813 -15.625 549 H LEU 75 H LEU 75 -10.802 9.747 -13.482 550 HA LEU 75 HA LEU 75 -9.609 10.896 -15.727 551 1HB LEU 75 1HB LEU 75 -8.976 10.334 -12.911 552 2HB LEU 75 2HB LEU 75 -7.595 10.622 -13.942 553 HG LEU 75 HG LEU 75 -9.962 12.497 -13.659 554 1HD1 LEU 75 1HD1 LEU 75 -8.637 12.148 -11.543 555 2HD1 LEU 75 2HD1 LEU 75 -7.260 12.855 -12.387 556 3HD1 LEU 75 3HD1 LEU 75 -8.722 13.808 -12.133 557 1HD2 LEU 75 1HD2 LEU 75 -7.257 12.791 -14.955 558 2HD2 LEU 75 2HD2 LEU 75 -8.842 12.883 -15.722 559 3HD2 LEU 75 3HD2 LEU 75 -8.326 14.151 -14.610 560 H CYS 76 H CYS 76 -8.942 8.095 -13.884 561 HA CYS 76 HA CYS 76 -6.700 7.200 -15.409 562 1HB CYS 76 1HB CYS 76 -7.659 6.877 -12.897 563 2HB CYS 76 2HB CYS 76 -8.106 5.347 -13.639 564 H ASN 77 H ASN 77 -10.126 6.635 -15.287 565 HA ASN 77 HA ASN 77 -11.564 5.346 -16.512 566 1HB ASN 77 1HB ASN 77 -10.347 6.818 -18.283 567 2HB ASN 77 2HB ASN 77 -9.522 5.325 -18.721 568 2HD2 ASN 77 2HD2 ASN 77 -11.453 7.016 -20.184 569 1HD2 ASN 77 1HD2 ASN 77 -12.731 5.950 -20.650 570 H ILE 78 H ILE 78 -10.375 3.850 -14.761 571 HA ILE 78 HA ILE 78 -9.557 1.444 -16.223 572 HB ILE 78 HB ILE 78 -7.793 1.046 -14.895 573 1HG1 ILE 78 1HG1 ILE 78 -9.656 1.866 -12.746 574 2HG1 ILE 78 2HG1 ILE 78 -8.549 0.501 -12.815 575 1HG2 ILE 78 1HG2 ILE 78 -7.478 3.322 -15.724 576 2HG2 ILE 78 2HG2 ILE 78 -8.201 3.957 -14.247 577 3HG2 ILE 78 3HG2 ILE 78 -6.675 3.076 -14.174 578 1HD1 ILE 78 1HD1 ILE 78 -6.703 2.223 -12.424 579 2HD1 ILE 78 2HD1 ILE 78 -8.006 3.319 -11.967 580 3HD1 ILE 78 3HD1 ILE 78 -7.759 1.820 -11.071 581 HA PRO 79 HA PRO 79 -12.729 -0.653 -13.934 582 1HB PRO 79 1HB PRO 79 -11.816 -3.185 -13.897 583 2HB PRO 79 2HB PRO 79 -12.344 -2.418 -15.399 584 1HG PRO 79 1HG PRO 79 -9.576 -2.874 -14.371 585 2HG PRO 79 2HG PRO 79 -10.196 -3.011 -16.026 586 1HD PRO 79 1HD PRO 79 -8.803 -0.838 -15.047 587 2HD PRO 79 2HD PRO 79 -9.902 -0.786 -16.439 588 H CYS 80 H CYS 80 -12.856 -0.062 -11.823 589 HA CYS 80 HA CYS 80 -10.748 -0.165 -9.989 590 1HB CYS 80 1HB CYS 80 -13.592 -0.267 -9.070 591 2HB CYS 80 2HB CYS 80 -12.245 0.672 -8.435 592 H SER 81 H SER 81 -13.666 -2.248 -10.027 593 HA SER 81 HA SER 81 -12.863 -3.997 -8.038 594 1HB SER 81 1HB SER 81 -14.556 -5.489 -8.825 595 2HB SER 81 2HB SER 81 -15.138 -3.852 -9.128 596 HG SER 81 HG SER 81 -15.031 -5.722 -10.870 597 H ALA 82 H ALA 82 -11.786 -3.856 -11.351 598 HA ALA 82 HA ALA 82 -10.790 -6.513 -11.522 599 1HB ALA 82 1HB ALA 82 -11.236 -5.241 -13.524 600 2HB ALA 82 2HB ALA 82 -9.531 -5.691 -13.474 601 3HB ALA 82 3HB ALA 82 -10.022 -4.045 -13.070 602 H LEU 83 H LEU 83 -9.791 -3.934 -9.690 603 HA LEU 83 HA LEU 83 -6.982 -4.800 -9.644 604 1HB LEU 83 1HB LEU 83 -6.366 -2.711 -8.957 605 2HB LEU 83 2HB LEU 83 -7.798 -2.310 -9.883 606 HG LEU 83 HG LEU 83 -8.881 -2.652 -7.416 607 1HD1 LEU 83 1HD1 LEU 83 -6.034 -2.296 -7.033 608 2HD1 LEU 83 2HD1 LEU 83 -6.968 -1.012 -6.268 609 3HD1 LEU 83 3HD1 LEU 83 -7.290 -2.697 -5.862 610 1HD2 LEU 83 1HD2 LEU 83 -7.929 -0.340 -8.997 611 2HD2 LEU 83 2HD2 LEU 83 -9.549 -0.737 -8.426 612 3HD2 LEU 83 3HD2 LEU 83 -8.371 -0.033 -7.319 613 H LEU 84 H LEU 84 -9.872 -5.205 -8.020 614 HA LEU 84 HA LEU 84 -8.533 -5.780 -5.470 615 1HB LEU 84 1HB LEU 84 -11.497 -5.711 -5.735 616 2HB LEU 84 2HB LEU 84 -10.484 -5.250 -4.378 617 HG LEU 84 HG LEU 84 -10.379 -3.621 -6.872 618 1HD1 LEU 84 1HD1 LEU 84 -12.772 -4.071 -5.397 619 2HD1 LEU 84 2HD1 LEU 84 -12.230 -2.416 -5.119 620 3HD1 LEU 84 3HD1 LEU 84 -12.497 -2.992 -6.764 621 1HD2 LEU 84 1HD2 LEU 84 -8.898 -3.382 -4.770 622 2HD2 LEU 84 2HD2 LEU 84 -9.609 -1.934 -5.482 623 3HD2 LEU 84 3HD2 LEU 84 -10.329 -2.652 -4.042 624 H SER 85 H SER 85 -8.234 -7.585 -7.570 625 HA SER 85 HA SER 85 -9.744 -9.874 -6.523 626 1HB SER 85 1HB SER 85 -9.724 -10.876 -8.804 627 2HB SER 85 2HB SER 85 -10.644 -9.373 -8.736 628 HG SER 85 HG SER 85 -8.591 -9.959 -10.300 629 H SER 86 H SER 86 -7.316 -8.923 -5.680 630 HA SER 86 HA SER 86 -5.303 -9.710 -4.942 631 1HB SER 86 1HB SER 86 -4.961 -11.979 -4.836 632 2HB SER 86 2HB SER 86 -6.667 -12.013 -5.279 633 HG SER 86 HG SER 86 -6.045 -13.077 -6.969 634 H ASP 87 H ASP 87 -5.998 -8.439 -7.516 635 HA ASP 87 HA ASP 87 -3.524 -8.975 -9.008 636 1HB ASP 87 1HB ASP 87 -5.756 -9.618 -10.026 637 2HB ASP 87 2HB ASP 87 -6.120 -7.900 -10.082 638 H ILE 88 H ILE 88 -2.117 -7.310 -8.799 639 HA ILE 88 HA ILE 88 -3.108 -4.684 -8.064 640 HB ILE 88 HB ILE 88 -0.503 -4.215 -8.323 641 1HG1 ILE 88 1HG1 ILE 88 -0.285 -7.010 -7.334 642 2HG1 ILE 88 2HG1 ILE 88 -0.438 -6.790 -9.075 643 1HG2 ILE 88 1HG2 ILE 88 -1.930 -5.561 -6.051 644 2HG2 ILE 88 2HG2 ILE 88 -0.283 -4.946 -5.912 645 3HG2 ILE 88 3HG2 ILE 88 -1.608 -3.843 -6.281 646 1HD1 ILE 88 1HD1 ILE 88 1.526 -5.018 -7.851 647 2HD1 ILE 88 2HD1 ILE 88 1.894 -6.732 -7.659 648 3HD1 ILE 88 3HD1 ILE 88 1.657 -6.057 -9.271 649 H THR 89 H THR 89 -2.612 -6.325 -10.917 650 HA THR 89 HA THR 89 -1.295 -4.672 -12.636 651 HB THR 89 HB THR 89 -3.918 -5.942 -13.402 652 HG1 THR 89 HG1 THR 89 -1.369 -7.172 -13.052 653 1HG2 THR 89 1HG2 THR 89 -2.665 -4.512 -15.047 654 2HG2 THR 89 2HG2 THR 89 -1.346 -5.680 -14.955 655 3HG2 THR 89 3HG2 THR 89 -2.925 -6.178 -15.562 656 H ALA 90 H ALA 90 -4.808 -4.472 -11.989 657 HA ALA 90 HA ALA 90 -5.216 -2.160 -13.458 658 1HB ALA 90 1HB ALA 90 -6.762 -3.706 -11.490 659 2HB ALA 90 2HB ALA 90 -7.255 -2.030 -11.733 660 3HB ALA 90 3HB ALA 90 -7.210 -3.143 -13.101 661 H SER 91 H SER 91 -4.606 -2.598 -9.987 662 HA SER 91 HA SER 91 -4.883 0.101 -9.236 663 1HB SER 91 1HB SER 91 -2.920 -1.120 -7.583 664 2HB SER 91 2HB SER 91 -4.623 -0.844 -7.221 665 HG SER 91 HG SER 91 -4.960 -2.862 -8.478 666 H VAL 92 H VAL 92 -2.193 -1.707 -10.508 667 HA VAL 92 HA VAL 92 -0.315 0.393 -10.038 668 HB VAL 92 HB VAL 92 -0.083 -2.052 -11.789 669 1HG1 VAL 92 1HG1 VAL 92 1.783 0.266 -11.379 670 2HG1 VAL 92 2HG1 VAL 92 2.415 -1.339 -11.745 671 3HG1 VAL 92 3HG1 VAL 92 1.326 -0.541 -12.879 672 1HG2 VAL 92 1HG2 VAL 92 -0.038 -2.046 -9.154 673 2HG2 VAL 92 2HG2 VAL 92 1.093 -3.035 -10.078 674 3HG2 VAL 92 3HG2 VAL 92 1.617 -1.491 -9.405 675 H ASN 93 H ASN 93 -1.954 -0.819 -12.965 676 HA ASN 93 HA ASN 93 -0.918 0.800 -14.819 677 1HB ASN 93 1HB ASN 93 -2.460 -0.235 -16.012 678 2HB ASN 93 2HB ASN 93 -3.238 -0.740 -14.535 679 2HD2 ASN 93 2HD2 ASN 93 -5.168 0.090 -14.012 680 1HD2 ASN 93 1HD2 ASN 93 -5.964 1.353 -14.882 681 H CYS 94 H CYS 94 -3.374 1.589 -12.463 682 HA CYS 94 HA CYS 94 -3.906 4.202 -13.381 683 1HB CYS 94 1HB CYS 94 -5.145 2.670 -11.611 684 2HB CYS 94 2HB CYS 94 -4.130 3.558 -10.477 685 H ALA 95 H ALA 95 -1.745 2.980 -10.813 686 HA ALA 95 HA ALA 95 -0.752 5.571 -10.171 687 1HB ALA 95 1HB ALA 95 -0.565 3.893 -8.523 688 2HB ALA 95 2HB ALA 95 0.375 2.856 -9.597 689 3HB ALA 95 3HB ALA 95 1.065 4.368 -9.001 690 H LYS 96 H LYS 96 0.317 3.051 -12.388 691 HA LYS 96 HA LYS 96 2.819 3.964 -13.076 692 1HB LYS 96 1HB LYS 96 1.429 1.931 -13.975 693 2HB LYS 96 2HB LYS 96 0.896 3.067 -15.205 694 1HG LYS 96 1HG LYS 96 3.593 3.429 -15.262 695 2HG LYS 96 2HG LYS 96 3.466 1.711 -14.878 696 1HD LYS 96 1HD LYS 96 1.677 2.679 -17.012 697 2HD LYS 96 2HD LYS 96 3.401 2.706 -17.389 698 1HE LYS 96 1HE LYS 96 3.109 0.254 -16.222 699 2HE LYS 96 2HE LYS 96 1.574 0.441 -17.069 700 1HZ LYS 96 1HZ LYS 96 2.972 1.063 -19.065 701 2HZ LYS 96 2HZ LYS 96 4.304 0.465 -18.209 702 3HZ LYS 96 3HZ LYS 96 3.016 -0.561 -18.595 703 H LYS 97 H LYS 97 -0.363 4.980 -13.883 704 HA LYS 97 HA LYS 97 0.418 7.103 -15.694 705 1HB LYS 97 1HB LYS 97 -1.824 5.712 -15.625 706 2HB LYS 97 2HB LYS 97 -2.306 6.941 -14.465 707 1HG LYS 97 1HG LYS 97 -1.406 8.543 -16.389 708 2HG LYS 97 2HG LYS 97 -1.852 7.152 -17.380 709 1HD LYS 97 1HD LYS 97 -4.039 7.553 -17.134 710 2HD LYS 97 2HD LYS 97 -3.877 7.817 -15.397 711 1HE LYS 97 1HE LYS 97 -3.132 9.854 -17.490 712 2HE LYS 97 2HE LYS 97 -4.700 9.798 -16.686 713 1HZ LYS 97 1HZ LYS 97 -2.357 9.812 -14.959 714 2HZ LYS 97 2HZ LYS 97 -2.675 11.246 -15.797 715 3HZ LYS 97 3HZ LYS 97 -3.847 10.589 -14.769 716 H ILE 98 H ILE 98 -0.441 6.693 -12.322 717 HA ILE 98 HA ILE 98 -0.852 9.374 -11.646 718 HB ILE 98 HB ILE 98 0.128 7.095 -9.954 719 1HG1 ILE 98 1HG1 ILE 98 -2.551 8.507 -10.043 720 2HG1 ILE 98 2HG1 ILE 98 -2.205 6.995 -10.874 721 1HG2 ILE 98 1HG2 ILE 98 -0.128 9.966 -9.355 722 2HG2 ILE 98 2HG2 ILE 98 -0.858 8.876 -8.176 723 3HG2 ILE 98 3HG2 ILE 98 0.853 8.726 -8.574 724 1HD1 ILE 98 1HD1 ILE 98 -2.065 7.412 -7.896 725 2HD1 ILE 98 2HD1 ILE 98 -3.399 6.656 -8.768 726 3HD1 ILE 98 3HD1 ILE 98 -1.809 5.893 -8.756 727 H VAL 99 H VAL 99 2.042 7.383 -11.486 728 HA VAL 99 HA VAL 99 3.761 9.523 -10.685 729 HB VAL 99 HB VAL 99 4.152 7.108 -10.139 730 1HG1 VAL 99 1HG1 VAL 99 4.978 6.987 -13.036 731 2HG1 VAL 99 2HG1 VAL 99 5.320 5.743 -11.835 732 3HG1 VAL 99 3HG1 VAL 99 3.651 6.106 -12.276 733 1HG2 VAL 99 1HG2 VAL 99 5.897 9.094 -10.316 734 2HG2 VAL 99 2HG2 VAL 99 6.391 7.451 -9.904 735 3HG2 VAL 99 3HG2 VAL 99 6.587 8.044 -11.554 736 H SER 100 H SER 100 2.655 8.301 -13.745 737 HA SER 100 HA SER 100 4.837 9.583 -15.196 738 1HB SER 100 1HB SER 100 3.896 7.347 -15.890 739 2HB SER 100 2HB SER 100 2.418 8.190 -16.356 740 HG SER 100 HG SER 100 3.563 8.193 -18.185 741 H ASP 101 H ASP 101 1.983 10.552 -13.851 742 HA ASP 101 HA ASP 101 1.764 12.793 -15.752 743 1HB ASP 101 1HB ASP 101 -0.164 10.861 -15.498 744 2HB ASP 101 2HB ASP 101 -0.738 12.097 -14.383 745 H GLY 102 H GLY 102 2.105 11.759 -12.547 746 1HA GLY 102 1HA GLY 102 1.089 13.178 -10.689 747 2HA GLY 102 2HA GLY 102 1.706 14.531 -11.621 748 H ASN 103 H ASN 103 2.281 12.827 -8.956 749 HA ASN 103 HA ASN 103 5.176 13.319 -9.104 750 1HB ASN 103 1HB ASN 103 3.235 13.352 -6.798 751 2HB ASN 103 2HB ASN 103 4.978 13.295 -6.550 752 2HD2 ASN 103 2HD2 ASN 103 5.426 15.250 -5.775 753 1HD2 ASN 103 1HD2 ASN 103 5.048 16.742 -6.558 754 H GLY 104 H GLY 104 6.611 11.848 -8.034 755 1HA GLY 104 1HA GLY 104 7.461 9.747 -7.714 756 2HA GLY 104 2HA GLY 104 6.096 9.147 -8.637 757 H MET 105 H MET 105 7.583 9.131 -5.670 758 HA MET 105 HA MET 105 5.398 7.661 -4.477 759 1HB MET 105 1HB MET 105 7.891 8.273 -2.968 760 2HB MET 105 2HB MET 105 6.961 6.784 -3.036 761 1HG MET 105 1HG MET 105 8.856 7.833 -5.120 762 2HG MET 105 2HG MET 105 9.092 6.437 -4.070 763 1HE MET 105 1HE MET 105 7.011 4.733 -3.896 764 2HE MET 105 2HE MET 105 5.617 5.575 -4.572 765 3HE MET 105 3HE MET 105 6.205 4.095 -5.330 766 H ASN 106 H ASN 106 6.107 10.827 -4.741 767 HA ASN 106 HA ASN 106 5.754 11.712 -2.055 768 1HB ASN 106 1HB ASN 106 5.197 13.497 -4.376 769 2HB ASN 106 2HB ASN 106 6.092 13.817 -2.899 770 2HD2 ASN 106 2HD2 ASN 106 8.231 13.004 -2.702 771 1HD2 ASN 106 1HD2 ASN 106 9.180 12.697 -4.113 772 H ALA 107 H ALA 107 3.645 11.180 -4.824 773 HA ALA 107 HA ALA 107 1.388 12.576 -4.074 774 1HB ALA 107 1HB ALA 107 1.894 11.092 -6.161 775 2HB ALA 107 2HB ALA 107 0.230 11.325 -5.622 776 3HB ALA 107 3HB ALA 107 1.088 9.837 -5.222 777 H TRP 108 H TRP 108 2.264 9.253 -3.169 778 HA TRP 108 HA TRP 108 0.006 9.005 -1.411 779 1HB TRP 108 1HB TRP 108 2.412 7.209 -1.789 780 2HB TRP 108 2HB TRP 108 0.969 6.798 -0.863 781 HD1 TRP 108 HD1 TRP 108 -1.316 6.396 -2.273 782 HE1 TRP 108 HE1 TRP 108 -1.691 5.697 -4.723 783 HE3 TRP 108 HE3 TRP 108 3.341 7.395 -4.127 784 HZ2 TRP 108 HZ2 TRP 108 -0.209 5.587 -7.133 785 HZ3 TRP 108 HZ3 TRP 108 3.779 6.972 -6.507 786 HH2 TRP 108 HH2 TRP 108 2.044 6.083 -7.977 787 H VAL 109 H VAL 109 -0.106 9.380 0.683 788 HA VAL 109 HA VAL 109 1.943 10.864 1.985 789 HB VAL 109 HB VAL 109 -0.177 9.861 3.649 790 1HG1 VAL 109 1HG1 VAL 109 1.353 12.304 3.219 791 2HG1 VAL 109 2HG1 VAL 109 -0.338 12.579 3.642 792 3HG1 VAL 109 3HG1 VAL 109 0.695 11.628 4.710 793 1HG2 VAL 109 1HG2 VAL 109 -0.777 11.177 1.059 794 2HG2 VAL 109 2HG2 VAL 109 -1.687 9.944 1.931 795 3HG2 VAL 109 3HG2 VAL 109 -1.741 11.622 2.468 796 H ALA 110 H ALA 110 1.091 7.501 2.037 797 HA ALA 110 HA ALA 110 2.171 6.916 4.601 798 1HB ALA 110 1HB ALA 110 1.898 5.025 2.270 799 2HB ALA 110 2HB ALA 110 2.000 4.608 3.980 800 3HB ALA 110 3HB ALA 110 0.579 5.449 3.361 801 H TRP 111 H TRP 111 3.541 7.475 1.521 802 HA TRP 111 HA TRP 111 6.078 6.242 2.232 803 1HB TRP 111 1HB TRP 111 5.371 6.042 -0.089 804 2HB TRP 111 2HB TRP 111 5.283 7.788 -0.245 805 HD1 TRP 111 HD1 TRP 111 7.696 4.901 -0.409 806 HE1 TRP 111 HE1 TRP 111 10.026 5.762 -1.086 807 HE3 TRP 111 HE3 TRP 111 6.865 9.930 0.018 808 HZ2 TRP 111 HZ2 TRP 111 11.338 8.240 -1.398 809 HZ3 TRP 111 HZ3 TRP 111 8.711 11.476 -0.489 810 HH2 TRP 111 HH2 TRP 111 10.901 10.647 -1.182 811 H ARG 112 H ARG 112 4.626 9.458 1.979 812 HA ARG 112 HA ARG 112 7.153 10.718 2.701 813 1HB ARG 112 1HB ARG 112 4.646 11.545 1.466 814 2HB ARG 112 2HB ARG 112 5.213 12.667 2.695 815 1HG ARG 112 1HG ARG 112 7.441 12.646 1.501 816 2HG ARG 112 2HG ARG 112 6.621 11.801 0.187 817 1HD ARG 112 1HD ARG 112 5.293 13.629 -0.331 818 2HD ARG 112 2HD ARG 112 5.498 14.356 1.263 819 HE ARG 112 HE ARG 112 7.229 14.651 -1.018 820 1HH1 ARG 112 1HH1 ARG 112 6.989 14.843 2.452 821 2HH1 ARG 112 2HH1 ARG 112 8.323 15.937 2.613 822 1HH2 ARG 112 1HH2 ARG 112 8.986 16.090 -0.816 823 2HH2 ARG 112 2HH2 ARG 112 9.457 16.646 0.755 824 H ASN 113 H ASN 113 6.246 9.034 4.652 825 HA ASN 113 HA ASN 113 5.846 10.884 6.837 826 1HB ASN 113 1HB ASN 113 3.647 9.299 5.795 827 2HB ASN 113 2HB ASN 113 3.967 8.930 7.487 828 2HD2 ASN 113 2HD2 ASN 113 2.825 11.264 5.234 829 1HD2 ASN 113 1HD2 ASN 113 2.289 12.435 6.386 830 H ARG 114 H ARG 114 5.503 7.396 6.246 831 HA ARG 114 HA ARG 114 7.270 6.892 8.525 832 1HB ARG 114 1HB ARG 114 5.098 5.391 7.175 833 2HB ARG 114 2HB ARG 114 6.405 4.450 7.871 834 1HG ARG 114 1HG ARG 114 5.575 4.698 9.912 835 2HG ARG 114 2HG ARG 114 5.525 6.453 9.731 836 1HD ARG 114 1HD ARG 114 3.325 6.453 9.338 837 2HD ARG 114 2HD ARG 114 3.442 5.098 8.216 838 HE ARG 114 HE ARG 114 3.726 3.900 10.609 839 1HH1 ARG 114 1HH1 ARG 114 1.385 6.165 9.374 840 2HH1 ARG 114 2HH1 ARG 114 0.096 5.572 10.368 841 1HH2 ARG 114 1HH2 ARG 114 2.035 3.112 11.920 842 2HH2 ARG 114 2HH2 ARG 114 0.466 3.837 11.815 843 H CYS 115 H CYS 115 7.526 7.227 5.260 844 HA CYS 115 HA CYS 115 9.667 5.215 5.076 845 1HB CYS 115 1HB CYS 115 7.727 5.017 3.479 846 2HB CYS 115 2HB CYS 115 8.261 6.533 2.759 847 H LYS 116 H LYS 116 8.828 8.545 4.130 848 HA LYS 116 HA LYS 116 11.267 9.252 3.002 849 1HB LYS 116 1HB LYS 116 9.065 10.558 3.050 850 2HB LYS 116 2HB LYS 116 9.582 11.151 4.621 851 1HG LYS 116 1HG LYS 116 11.782 11.622 3.058 852 2HG LYS 116 2HG LYS 116 10.443 11.925 1.950 853 1HD LYS 116 1HD LYS 116 9.448 13.456 3.597 854 2HD LYS 116 2HD LYS 116 10.819 13.172 4.673 855 1HE LYS 116 1HE LYS 116 12.109 13.874 2.407 856 2HE LYS 116 2HE LYS 116 10.626 14.812 2.231 857 1HZ LYS 116 1HZ LYS 116 11.106 15.513 4.642 858 2HZ LYS 116 2HZ LYS 116 12.685 14.986 4.332 859 3HZ LYS 116 3HZ LYS 116 12.006 16.223 3.400 860 H GLY 117 H GLY 117 13.039 8.510 4.137 861 1HA GLY 117 1HA GLY 117 13.400 9.603 6.853 862 2HA GLY 117 2HA GLY 117 14.644 9.817 5.632 863 H THR 118 H THR 118 13.473 6.867 4.909 864 HA THR 118 HA THR 118 15.308 5.522 6.779 865 HB THR 118 HB THR 118 13.944 3.490 6.512 866 HG1 THR 118 HG1 THR 118 12.925 4.799 4.459 867 1HG2 THR 118 1HG2 THR 118 12.893 5.996 7.666 868 2HG2 THR 118 2HG2 THR 118 11.727 4.687 7.475 869 3HG2 THR 118 3HG2 THR 118 13.189 4.434 8.428 870 H ASP 119 H ASP 119 14.908 3.005 5.216 871 HA ASP 119 HA ASP 119 16.334 3.676 2.756 872 1HB ASP 119 1HB ASP 119 17.761 2.900 4.790 873 2HB ASP 119 2HB ASP 119 17.214 1.329 4.252 874 H VAL 120 H VAL 120 15.001 3.016 1.202 875 HA VAL 120 HA VAL 120 13.248 0.778 1.498 876 HB VAL 120 HB VAL 120 12.611 1.210 -0.830 877 1HG1 VAL 120 1HG1 VAL 120 11.679 2.550 1.066 878 2HG1 VAL 120 2HG1 VAL 120 12.843 3.813 0.667 879 3HG1 VAL 120 3HG1 VAL 120 11.609 3.350 -0.503 880 1HG2 VAL 120 1HG2 VAL 120 15.190 2.352 -0.989 881 2HG2 VAL 120 2HG2 VAL 120 13.998 2.169 -2.276 882 3HG2 VAL 120 3HG2 VAL 120 14.028 3.642 -1.306 883 H GLN 121 H GLN 121 16.384 1.374 0.083 884 HA GLN 121 HA GLN 121 16.592 -0.876 -1.575 885 1HB GLN 121 1HB GLN 121 18.665 0.703 -0.049 886 2HB GLN 121 2HB GLN 121 19.093 -0.632 -1.110 887 1HG GLN 121 1HG GLN 121 17.332 1.340 -2.347 888 2HG GLN 121 2HG GLN 121 18.896 1.984 -1.851 889 2HE2 GLN 121 2HE2 GLN 121 20.804 0.738 -2.565 890 1HE2 GLN 121 1HE2 GLN 121 20.760 0.011 -4.131 891 H ALA 122 H ALA 122 16.646 -0.488 1.836 892 HA ALA 122 HA ALA 122 17.753 -3.133 2.330 893 1HB ALA 122 1HB ALA 122 18.344 -1.174 3.766 894 2HB ALA 122 2HB ALA 122 17.702 -2.558 4.653 895 3HB ALA 122 3HB ALA 122 16.675 -1.159 4.337 896 H TRP 123 H TRP 123 14.711 -1.564 1.959 897 HA TRP 123 HA TRP 123 13.090 -3.278 3.519 898 1HB TRP 123 1HB TRP 123 12.625 -1.371 1.285 899 2HB TRP 123 2HB TRP 123 11.364 -2.556 1.608 900 HD1 TRP 123 HD1 TRP 123 11.642 0.800 2.233 901 HE1 TRP 123 HE1 TRP 123 10.748 1.552 4.528 902 HE3 TRP 123 HE3 TRP 123 11.616 -3.690 4.645 903 HZ2 TRP 123 HZ2 TRP 123 10.129 0.361 7.000 904 HZ3 TRP 123 HZ3 TRP 123 10.861 -3.807 6.964 905 HH2 TRP 123 HH2 TRP 123 10.125 -1.799 8.129 906 H ILE 124 H ILE 124 14.772 -3.796 0.601 907 HA ILE 124 HA ILE 124 13.319 -6.327 0.200 908 HB ILE 124 HB ILE 124 13.975 -6.137 -2.230 909 1HG1 ILE 124 1HG1 ILE 124 14.049 -3.199 -2.039 910 2HG1 ILE 124 2HG1 ILE 124 15.474 -4.008 -1.397 911 1HG2 ILE 124 1HG2 ILE 124 11.743 -5.312 -0.907 912 2HG2 ILE 124 2HG2 ILE 124 12.167 -3.870 -1.829 913 3HG2 ILE 124 3HG2 ILE 124 11.902 -5.402 -2.661 914 1HD1 ILE 124 1HD1 ILE 124 14.492 -4.868 -4.053 915 2HD1 ILE 124 2HD1 ILE 124 15.274 -3.292 -3.932 916 3HD1 ILE 124 3HD1 ILE 124 16.139 -4.746 -3.435 917 H ARG 125 H ARG 125 15.966 -5.259 1.483 918 HA ARG 125 HA ARG 125 18.091 -6.491 0.083 919 1HB ARG 125 1HB ARG 125 18.065 -4.746 2.066 920 2HB ARG 125 2HB ARG 125 18.174 -6.196 3.054 921 1HG ARG 125 1HG ARG 125 20.128 -6.717 1.301 922 2HG ARG 125 2HG ARG 125 20.175 -4.953 1.279 923 1HD ARG 125 1HD ARG 125 20.457 -4.897 3.681 924 2HD ARG 125 2HD ARG 125 20.293 -6.650 3.769 925 HE ARG 125 HE ARG 125 22.385 -6.610 2.282 926 1HH1 ARG 125 1HH1 ARG 125 21.654 -4.271 4.759 927 2HH1 ARG 125 2HH1 ARG 125 23.316 -3.904 5.083 928 1HH2 ARG 125 1HH2 ARG 125 24.575 -6.133 2.702 929 2HH2 ARG 125 2HH2 ARG 125 24.976 -4.961 3.914 930 H GLY 126 H GLY 126 17.571 -8.591 -0.479 931 1HA GLY 126 1HA GLY 126 17.304 -10.474 1.784 932 2HA GLY 126 2HA GLY 126 18.308 -10.808 0.380 933 H CYS 127 H CYS 127 15.622 -9.215 -0.698 934 HA CYS 127 HA CYS 127 13.638 -11.178 -0.665 935 1HB CYS 127 1HB CYS 127 14.130 -8.712 -2.129 936 2HB CYS 127 2HB CYS 127 12.973 -9.811 -2.851 937 H ARG 128 H ARG 128 12.737 -11.738 -3.094 938 HA ARG 128 HA ARG 128 14.914 -12.867 -4.678 939 1HB ARG 128 1HB ARG 128 13.955 -14.512 -2.882 940 2HB ARG 128 2HB ARG 128 12.601 -14.645 -3.995 941 1HG ARG 128 1HG ARG 128 13.722 -16.077 -5.251 942 2HG ARG 128 2HG ARG 128 15.048 -14.929 -5.444 943 1HD ARG 128 1HD ARG 128 14.732 -16.617 -2.979 944 2HD ARG 128 2HD ARG 128 15.603 -17.188 -4.401 945 HE ARG 128 HE ARG 128 16.452 -15.137 -2.534 946 1HH1 ARG 128 1HH1 ARG 128 16.943 -16.685 -5.616 947 2HH1 ARG 128 2HH1 ARG 128 18.581 -16.145 -5.772 948 1HH2 ARG 128 1HH2 ARG 128 18.609 -14.422 -2.731 949 2HH2 ARG 128 2HH2 ARG 128 19.529 -14.859 -4.131 950 H LEU 129 H LEU 129 14.401 -11.500 -6.361 951 HA LEU 129 HA LEU 129 12.088 -12.283 -7.926 952 1HB LEU 129 1HB LEU 129 11.388 -9.919 -8.275 953 2HB LEU 129 2HB LEU 129 11.101 -10.521 -6.654 954 HG LEU 129 HG LEU 129 13.681 -9.184 -6.916 955 1HD1 LEU 129 1HD1 LEU 129 11.169 -7.772 -7.711 956 2HD1 LEU 129 2HD1 LEU 129 12.456 -6.905 -6.874 957 3HD1 LEU 129 3HD1 LEU 129 12.779 -7.680 -8.425 958 1HD2 LEU 129 1HD2 LEU 129 12.057 -9.872 -4.891 959 2HD2 LEU 129 2HD2 LEU 129 13.249 -8.576 -4.785 960 3HD2 LEU 129 3HD2 LEU 129 11.560 -8.196 -5.119 No H/Q in entry = 960 Start of MODEL 36 1 H1 LYS 1 H1 LYS 1 -6.997 -8.810 1.558 2 H2 LYS 1 H2 LYS 1 -7.956 -10.000 0.832 3 H3 LYS 1 H3 LYS 1 -7.286 -10.272 2.361 4 HA LYS 1 HA LYS 1 -5.602 -11.278 1.377 5 1HB LYS 1 1HB LYS 1 -7.302 -11.222 -0.619 6 2HB LYS 1 2HB LYS 1 -6.188 -10.038 -1.288 7 1HG LYS 1 1HG LYS 1 -5.296 -11.899 -2.210 8 2HG LYS 1 2HG LYS 1 -4.424 -11.929 -0.677 9 1HD LYS 1 1HD LYS 1 -5.410 -13.832 -0.048 10 2HD LYS 1 2HD LYS 1 -7.010 -13.236 -0.496 11 1HE LYS 1 1HE LYS 1 -6.627 -13.837 -2.806 12 2HE LYS 1 2HE LYS 1 -4.974 -14.328 -2.435 13 1HZ LYS 1 1HZ LYS 1 -6.414 -15.809 -0.710 14 2HZ LYS 1 2HZ LYS 1 -7.451 -15.756 -2.045 15 3HZ LYS 1 3HZ LYS 1 -5.875 -16.347 -2.220 16 H VAL 2 H VAL 2 -3.813 -10.382 2.211 17 HA VAL 2 HA VAL 2 -2.850 -7.842 1.079 18 HB VAL 2 HB VAL 2 -2.202 -9.173 3.713 19 1HG1 VAL 2 1HG1 VAL 2 -0.418 -7.702 2.305 20 2HG1 VAL 2 2HG1 VAL 2 -1.249 -6.435 3.205 21 3HG1 VAL 2 3HG1 VAL 2 -0.473 -7.763 4.067 22 1HG2 VAL 2 1HG2 VAL 2 -4.294 -7.489 2.990 23 2HG2 VAL 2 2HG2 VAL 2 -3.763 -7.879 4.626 24 3HG2 VAL 2 3HG2 VAL 2 -3.135 -6.444 3.813 25 H PHE 3 H PHE 3 -0.962 -7.773 -0.038 26 HA PHE 3 HA PHE 3 0.373 -10.232 -0.684 27 1HB PHE 3 1HB PHE 3 1.030 -7.353 -1.354 28 2HB PHE 3 2HB PHE 3 1.911 -8.739 -1.977 29 HD1 PHE 3 HD1 PHE 3 -0.953 -10.272 -2.131 30 HD2 PHE 3 HD2 PHE 3 0.727 -6.691 -3.696 31 HE1 PHE 3 HE1 PHE 3 -2.494 -10.385 -4.044 32 HE2 PHE 3 HE2 PHE 3 -0.807 -6.798 -5.605 33 HZ PHE 3 HZ PHE 3 -2.421 -8.645 -5.787 34 H GLY 4 H GLY 4 2.884 -10.126 -0.648 35 1HA GLY 4 1HA GLY 4 4.501 -10.626 1.017 36 2HA GLY 4 2HA GLY 4 3.658 -9.544 2.118 37 H ARG 5 H ARG 5 6.500 -9.584 1.428 38 HA ARG 5 HA ARG 5 6.721 -6.778 0.676 39 1HB ARG 5 1HB ARG 5 8.576 -8.755 1.967 40 2HB ARG 5 2HB ARG 5 9.209 -7.267 1.275 41 1HG ARG 5 1HG ARG 5 8.494 -6.038 2.990 42 2HG ARG 5 2HG ARG 5 6.915 -6.826 3.012 43 1HD ARG 5 1HD ARG 5 9.393 -8.156 4.073 44 2HD ARG 5 2HD ARG 5 8.383 -7.113 5.073 45 HE ARG 5 HE ARG 5 6.574 -8.686 4.749 46 1HH1 ARG 5 1HH1 ARG 5 9.753 -9.766 3.815 47 2HH1 ARG 5 2HH1 ARG 5 9.355 -11.447 3.927 48 1HH2 ARG 5 1HH2 ARG 5 6.042 -10.898 4.899 49 2HH2 ARG 5 2HH2 ARG 5 7.246 -12.091 4.543 50 H CYS 6 H CYS 6 8.370 -9.816 -0.230 51 HA CYS 6 HA CYS 6 9.348 -8.550 -2.630 52 1HB CYS 6 1HB CYS 6 9.574 -11.489 -2.221 53 2HB CYS 6 2HB CYS 6 10.715 -10.344 -2.917 54 H GLU 7 H GLU 7 6.857 -10.895 -1.763 55 HA GLU 7 HA GLU 7 6.199 -11.948 -4.211 56 1HB GLU 7 1HB GLU 7 4.490 -11.089 -1.890 57 2HB GLU 7 2HB GLU 7 3.746 -11.725 -3.350 58 1HG GLU 7 1HG GLU 7 4.948 -13.803 -3.105 59 2HG GLU 7 2HG GLU 7 5.810 -13.168 -1.704 60 H LEU 8 H LEU 8 5.003 -8.904 -2.840 61 HA LEU 8 HA LEU 8 3.716 -8.063 -5.215 62 1HB LEU 8 1HB LEU 8 2.992 -7.015 -3.224 63 2HB LEU 8 2HB LEU 8 4.630 -6.587 -2.758 64 HG LEU 8 HG LEU 8 4.629 -5.097 -4.866 65 1HD1 LEU 8 1HD1 LEU 8 2.407 -6.225 -5.593 66 2HD1 LEU 8 2HD1 LEU 8 1.668 -5.056 -4.499 67 3HD1 LEU 8 3HD1 LEU 8 2.641 -4.498 -5.859 68 1HD2 LEU 8 1HD2 LEU 8 4.203 -4.559 -2.275 69 2HD2 LEU 8 2HD2 LEU 8 4.203 -3.327 -3.537 70 3HD2 LEU 8 3HD2 LEU 8 2.678 -3.990 -2.953 71 H ALA 9 H ALA 9 7.001 -7.589 -3.904 72 HA ALA 9 HA ALA 9 7.836 -5.613 -5.703 73 1HB ALA 9 1HB ALA 9 9.177 -6.132 -3.800 74 2HB ALA 9 2HB ALA 9 10.131 -6.436 -5.251 75 3HB ALA 9 3HB ALA 9 9.425 -7.785 -4.362 76 H ALA 10 H ALA 10 8.215 -9.159 -5.972 77 HA ALA 10 HA ALA 10 9.439 -9.264 -8.440 78 1HB ALA 10 1HB ALA 10 9.165 -11.473 -8.207 79 2HB ALA 10 2HB ALA 10 7.408 -11.325 -8.162 80 3HB ALA 10 3HB ALA 10 8.350 -11.113 -6.685 81 H ALA 11 H ALA 11 6.042 -8.880 -7.586 82 HA ALA 11 HA ALA 11 5.029 -9.009 -10.210 83 1HB ALA 11 1HB ALA 11 2.994 -8.590 -9.304 84 2HB ALA 11 2HB ALA 11 3.852 -8.990 -7.816 85 3HB ALA 11 3HB ALA 11 3.616 -7.303 -8.272 86 H MET 12 H MET 12 6.185 -6.443 -8.245 87 HA MET 12 HA MET 12 5.501 -4.235 -9.823 88 1HB MET 12 1HB MET 12 8.094 -4.411 -8.308 89 2HB MET 12 2HB MET 12 7.130 -2.988 -8.623 90 1HG MET 12 1HG MET 12 6.405 -5.242 -6.783 91 2HG MET 12 2HG MET 12 6.963 -3.640 -6.311 92 1HE MET 12 1HE MET 12 5.872 -1.759 -8.009 93 2HE MET 12 2HE MET 12 4.134 -1.467 -7.935 94 3HE MET 12 3HE MET 12 5.113 -1.335 -6.474 95 H LYS 13 H LYS 13 8.503 -6.125 -9.762 96 HA LYS 13 HA LYS 13 9.911 -4.820 -11.749 97 1HB LYS 13 1HB LYS 13 10.577 -6.821 -10.211 98 2HB LYS 13 2HB LYS 13 9.993 -7.814 -11.540 99 1HG LYS 13 1HG LYS 13 11.862 -5.673 -12.294 100 2HG LYS 13 2HG LYS 13 12.534 -6.959 -11.289 101 1HD LYS 13 1HD LYS 13 11.171 -8.439 -13.068 102 2HD LYS 13 2HD LYS 13 11.547 -7.039 -14.075 103 1HE LYS 13 1HE LYS 13 13.700 -7.607 -14.234 104 2HE LYS 13 2HE LYS 13 13.825 -7.925 -12.505 105 1HZ LYS 13 1HZ LYS 13 12.649 -10.083 -12.997 106 2HZ LYS 13 2HZ LYS 13 12.937 -9.777 -14.635 107 3HZ LYS 13 3HZ LYS 13 14.236 -9.959 -13.568 108 H ARG 14 H ARG 14 7.618 -7.504 -12.060 109 HA ARG 14 HA ARG 14 7.802 -7.766 -14.852 110 1HB ARG 14 1HB ARG 14 6.661 -9.281 -13.025 111 2HB ARG 14 2HB ARG 14 5.239 -8.318 -13.408 112 1HG ARG 14 1HG ARG 14 5.159 -9.094 -15.607 113 2HG ARG 14 2HG ARG 14 6.822 -9.684 -15.554 114 1HD ARG 14 1HD ARG 14 6.255 -11.553 -14.306 115 2HD ARG 14 2HD ARG 14 4.766 -10.823 -13.705 116 HE ARG 14 HE ARG 14 4.453 -11.073 -16.436 117 1HH1 ARG 14 1HH1 ARG 14 5.003 -13.198 -13.730 118 2HH1 ARG 14 2HH1 ARG 14 4.174 -14.538 -14.449 119 1HH2 ARG 14 1HH2 ARG 14 3.361 -12.832 -17.390 120 2HH2 ARG 14 2HH2 ARG 14 3.242 -14.331 -16.529 121 H HIS 15 H HIS 15 5.702 -5.804 -12.766 122 HA HIS 15 HA HIS 15 4.160 -4.789 -14.924 123 1HB HIS 15 1HB HIS 15 4.350 -4.337 -11.998 124 2HB HIS 15 2HB HIS 15 3.629 -3.051 -12.962 125 HD1 HIS 15 HD1 HIS 15 2.231 -5.125 -10.869 126 HD2 HIS 15 HD2 HIS 15 1.946 -5.087 -15.015 127 HE1 HIS 15 HE1 HIS 15 0.081 -6.313 -11.406 128 HE2 HIS 15 HE2 HIS 15 -0.028 -6.353 -13.923 129 H GLY 16 H GLY 16 7.352 -4.100 -14.086 130 1HA GLY 16 1HA GLY 16 7.299 -1.805 -15.772 131 2HA GLY 16 2HA GLY 16 8.705 -2.546 -15.039 132 H LEU 17 H LEU 17 7.365 -2.152 -12.242 133 HA LEU 17 HA LEU 17 7.483 0.749 -12.158 134 1HB LEU 17 1HB LEU 17 7.125 -0.948 -9.729 135 2HB LEU 17 2HB LEU 17 6.557 0.679 -10.023 136 HG LEU 17 HG LEU 17 5.302 -1.908 -10.646 137 1HD1 LEU 17 1HD1 LEU 17 4.722 0.349 -9.158 138 2HD1 LEU 17 2HD1 LEU 17 3.650 0.475 -10.552 139 3HD1 LEU 17 3HD1 LEU 17 3.612 -0.968 -9.540 140 1HD2 LEU 17 1HD2 LEU 17 5.375 0.338 -12.620 141 2HD2 LEU 17 2HD2 LEU 17 5.399 -1.404 -12.900 142 3HD2 LEU 17 3HD2 LEU 17 3.899 -0.606 -12.429 143 H ASP 18 H ASP 18 9.629 -1.693 -11.992 144 HA ASP 18 HA ASP 18 11.301 -0.747 -9.878 145 1HB ASP 18 1HB ASP 18 11.735 -2.966 -10.256 146 2HB ASP 18 2HB ASP 18 11.549 -2.825 -11.994 147 H ASN 19 H ASN 19 11.790 1.337 -10.124 148 HA ASN 19 HA ASN 19 12.945 3.176 -10.758 149 1HB ASN 19 1HB ASN 19 14.629 1.047 -11.404 150 2HB ASN 19 2HB ASN 19 14.589 2.025 -12.869 151 2HD2 ASN 19 2HD2 ASN 19 16.308 1.523 -10.207 152 1HD2 ASN 19 1HD2 ASN 19 16.964 3.098 -9.940 153 H TYR 20 H TYR 20 10.531 2.495 -12.002 154 HA TYR 20 HA TYR 20 10.657 3.045 -14.802 155 1HB TYR 20 1HB TYR 20 8.702 1.950 -13.664 156 2HB TYR 20 2HB TYR 20 8.333 3.493 -12.904 157 HD1 TYR 20 HD1 TYR 20 8.796 1.952 -16.271 158 HD2 TYR 20 HD2 TYR 20 6.875 4.960 -13.956 159 HE1 TYR 20 HE1 TYR 20 7.443 2.584 -18.225 160 HE2 TYR 20 HE2 TYR 20 5.516 5.601 -15.902 161 HH TYR 20 HH TYR 20 4.785 4.049 -18.226 162 H ARG 21 H ARG 21 9.674 5.125 -15.708 163 HA ARG 21 HA ARG 21 11.055 7.302 -15.463 164 1HB ARG 21 1HB ARG 21 8.106 7.024 -15.745 165 2HB ARG 21 2HB ARG 21 8.750 8.641 -15.500 166 1HG ARG 21 1HG ARG 21 9.766 8.699 -17.534 167 2HG ARG 21 2HG ARG 21 10.021 6.953 -17.581 168 1HD ARG 21 1HD ARG 21 7.694 6.580 -18.078 169 2HD ARG 21 2HD ARG 21 7.336 8.294 -17.873 170 HE ARG 21 HE ARG 21 9.309 7.824 -19.888 171 1HH1 ARG 21 1HH1 ARG 21 5.884 7.824 -19.245 172 2HH1 ARG 21 2HH1 ARG 21 5.443 8.113 -20.895 173 1HH2 ARG 21 1HH2 ARG 21 8.737 8.206 -22.063 174 2HH2 ARG 21 2HH2 ARG 21 7.065 8.330 -22.496 175 H GLY 22 H GLY 22 8.742 6.301 -13.039 176 1HA GLY 22 1HA GLY 22 8.195 7.194 -10.975 177 2HA GLY 22 2HA GLY 22 9.141 8.620 -11.373 178 H TYR 23 H TYR 23 9.145 5.505 -9.846 179 HA TYR 23 HA TYR 23 11.951 5.911 -9.089 180 1HB TYR 23 1HB TYR 23 9.616 5.475 -7.251 181 2HB TYR 23 2HB TYR 23 11.277 5.197 -6.743 182 HD1 TYR 23 HD1 TYR 23 8.951 7.784 -8.021 183 HD2 TYR 23 HD2 TYR 23 12.651 7.000 -6.073 184 HE1 TYR 23 HE1 TYR 23 9.168 10.174 -7.490 185 HE2 TYR 23 HE2 TYR 23 12.878 9.389 -5.535 186 HH TYR 23 HH TYR 23 10.304 11.620 -5.939 187 H SER 24 H SER 24 12.659 4.049 -7.557 188 HA SER 24 HA SER 24 12.514 1.664 -9.164 189 1HB SER 24 1HB SER 24 14.384 0.885 -7.889 190 2HB SER 24 2HB SER 24 14.659 2.590 -8.245 191 HG SER 24 HG SER 24 13.678 1.502 -5.812 192 H LEU 25 H LEU 25 12.508 -0.455 -8.034 193 HA LEU 25 HA LEU 25 10.093 -1.160 -7.068 194 1HB LEU 25 1HB LEU 25 12.771 -2.308 -7.079 195 2HB LEU 25 2HB LEU 25 11.771 -2.921 -5.774 196 HG LEU 25 HG LEU 25 10.623 -2.857 -8.513 197 1HD1 LEU 25 1HD1 LEU 25 13.102 -4.039 -8.053 198 2HD1 LEU 25 2HD1 LEU 25 11.940 -5.365 -7.987 199 3HD1 LEU 25 3HD1 LEU 25 12.019 -4.331 -9.413 200 1HD2 LEU 25 1HD2 LEU 25 10.437 -4.768 -6.188 201 2HD2 LEU 25 2HD2 LEU 25 9.253 -3.535 -6.621 202 3HD2 LEU 25 3HD2 LEU 25 9.538 -4.900 -7.700 203 H GLY 26 H GLY 26 12.929 -0.692 -4.932 204 1HA GLY 26 1HA GLY 26 13.048 0.136 -2.785 205 2HA GLY 26 2HA GLY 26 11.832 -1.093 -2.494 206 H ASN 27 H ASN 27 11.435 1.860 -4.399 207 HA ASN 27 HA ASN 27 10.170 3.343 -2.341 208 1HB ASN 27 1HB ASN 27 9.781 3.780 -5.298 209 2HB ASN 27 2HB ASN 27 9.676 4.970 -4.003 210 2HD2 ASN 27 2HD2 ASN 27 11.591 5.669 -2.990 211 1HD2 ASN 27 1HD2 ASN 27 13.122 5.522 -3.778 212 H TRP 28 H TRP 28 8.979 1.131 -4.778 213 HA TRP 28 HA TRP 28 6.213 1.770 -4.434 214 1HB TRP 28 1HB TRP 28 7.556 -0.639 -5.653 215 2HB TRP 28 2HB TRP 28 5.826 -0.299 -5.734 216 HD1 TRP 28 HD1 TRP 28 9.097 0.598 -7.318 217 HE1 TRP 28 HE1 TRP 28 8.719 2.318 -9.183 218 HE3 TRP 28 HE3 TRP 28 4.196 1.677 -6.417 219 HZ2 TRP 28 HZ2 TRP 28 6.596 3.906 -10.182 220 HZ3 TRP 28 HZ3 TRP 28 3.042 3.291 -7.867 221 HH2 TRP 28 HH2 TRP 28 4.223 4.390 -9.716 222 H VAL 29 H VAL 29 8.389 -0.687 -3.098 223 HA VAL 29 HA VAL 29 6.373 -2.134 -1.751 224 HB VAL 29 HB VAL 29 9.328 -1.944 -1.153 225 1HG1 VAL 29 1HG1 VAL 29 7.527 -2.959 0.532 226 2HG1 VAL 29 2HG1 VAL 29 7.770 -4.372 -0.496 227 3HG1 VAL 29 3HG1 VAL 29 9.142 -3.640 0.337 228 1HG2 VAL 29 1HG2 VAL 29 8.230 -2.836 -3.459 229 2HG2 VAL 29 2HG2 VAL 29 9.748 -3.429 -2.788 230 3HG2 VAL 29 3HG2 VAL 29 8.252 -4.321 -2.508 231 H CYS 30 H CYS 30 8.699 0.305 -0.673 232 HA CYS 30 HA CYS 30 7.919 0.399 2.001 233 1HB CYS 30 1HB CYS 30 9.971 1.419 0.895 234 2HB CYS 30 2HB CYS 30 8.931 2.757 0.422 235 H ALA 31 H ALA 31 6.823 2.372 -0.761 236 HA ALA 31 HA ALA 31 5.071 4.011 0.708 237 1HB ALA 31 1HB ALA 31 5.542 3.413 -2.143 238 2HB ALA 31 2HB ALA 31 3.964 4.084 -1.731 239 3HB ALA 31 3HB ALA 31 5.433 4.962 -1.307 240 H ALA 32 H ALA 32 4.480 1.024 -1.126 241 HA ALA 32 HA ALA 32 1.686 0.974 -0.659 242 1HB ALA 32 1HB ALA 32 3.267 -0.350 -2.347 243 2HB ALA 32 2HB ALA 32 3.109 -1.583 -1.096 244 3HB ALA 32 3HB ALA 32 1.670 -0.935 -1.881 245 H LYS 33 H LYS 33 4.416 -0.627 0.951 246 HA LYS 33 HA LYS 33 3.110 -2.277 2.694 247 1HB LYS 33 1HB LYS 33 5.501 -2.317 2.548 248 2HB LYS 33 2HB LYS 33 5.618 -0.654 3.103 249 1HG LYS 33 1HG LYS 33 5.564 -1.253 5.248 250 2HG LYS 33 2HG LYS 33 4.231 -2.381 4.990 251 1HD LYS 33 1HD LYS 33 6.380 -3.601 3.744 252 2HD LYS 33 2HD LYS 33 7.085 -2.887 5.197 253 1HE LYS 33 1HE LYS 33 5.217 -3.954 6.499 254 2HE LYS 33 2HE LYS 33 4.779 -4.817 5.025 255 1HZ LYS 33 1HZ LYS 33 7.432 -4.972 6.351 256 2HZ LYS 33 2HZ LYS 33 6.205 -6.127 6.506 257 3HZ LYS 33 3HZ LYS 33 6.930 -5.861 5.001 258 H PHE 34 H PHE 34 4.086 1.084 3.405 259 HA PHE 34 HA PHE 34 2.594 1.055 5.830 260 1HB PHE 34 1HB PHE 34 4.348 2.934 4.482 261 2HB PHE 34 2HB PHE 34 3.175 3.647 5.570 262 HD1 PHE 34 HD1 PHE 34 3.075 2.609 7.947 263 HD2 PHE 34 HD2 PHE 34 6.365 2.158 5.285 264 HE1 PHE 34 HE1 PHE 34 4.536 2.064 9.850 265 HE2 PHE 34 HE2 PHE 34 7.832 1.611 7.184 266 HZ PHE 34 HZ PHE 34 6.917 1.565 9.470 267 H GLU 35 H GLU 35 1.772 1.771 2.601 268 HA GLU 35 HA GLU 35 -0.242 3.694 3.128 269 1HB GLU 35 1HB GLU 35 0.890 2.350 0.865 270 2HB GLU 35 2HB GLU 35 -0.861 2.248 0.772 271 1HG GLU 35 1HG GLU 35 0.919 4.614 0.609 272 2HG GLU 35 2HG GLU 35 -0.509 4.205 -0.337 273 H SER 36 H SER 36 -0.420 0.236 2.323 274 HA SER 36 HA SER 36 -3.026 0.127 3.707 275 1HB SER 36 1HB SER 36 -3.768 -1.484 1.935 276 2HB SER 36 2HB SER 36 -3.456 0.136 1.317 277 HG SER 36 HG SER 36 -1.249 -0.790 0.886 278 H ASN 37 H ASN 37 -0.033 -0.848 4.085 279 HA ASN 37 HA ASN 37 1.001 -2.615 5.113 280 1HB ASN 37 1HB ASN 37 -1.451 -2.358 6.381 281 2HB ASN 37 2HB ASN 37 -1.414 -4.059 5.926 282 2HD2 ASN 37 2HD2 ASN 37 0.992 -4.934 6.277 283 1HD2 ASN 37 1HD2 ASN 37 1.578 -4.672 7.882 284 H PHE 38 H PHE 38 0.055 -2.684 2.378 285 HA PHE 38 HA PHE 38 0.198 -3.972 0.581 286 1HB PHE 38 1HB PHE 38 1.027 -6.035 2.611 287 2HB PHE 38 2HB PHE 38 0.895 -6.402 0.894 288 HD1 PHE 38 HD1 PHE 38 1.877 -3.919 -0.317 289 HD2 PHE 38 HD2 PHE 38 3.317 -6.094 3.046 290 HE1 PHE 38 HE1 PHE 38 4.123 -2.995 -0.691 291 HE2 PHE 38 HE2 PHE 38 5.566 -5.170 2.678 292 HZ PHE 38 HZ PHE 38 5.974 -3.626 0.806 293 H ASN 39 H ASN 39 -2.265 -3.637 2.229 294 HA ASN 39 HA ASN 39 -3.766 -6.048 1.630 295 1HB ASN 39 1HB ASN 39 -4.166 -4.700 3.718 296 2HB ASN 39 2HB ASN 39 -4.794 -3.411 2.696 297 2HD2 ASN 39 2HD2 ASN 39 -6.562 -4.045 4.370 298 1HD2 ASN 39 1HD2 ASN 39 -7.757 -5.141 3.776 299 H THR 40 H THR 40 -4.287 -6.348 -0.410 300 HA THR 40 HA THR 40 -4.470 -4.241 -2.315 301 HB THR 40 HB THR 40 -4.594 -5.884 -3.909 302 HG1 THR 40 HG1 THR 40 -6.550 -6.816 -3.533 303 1HG2 THR 40 1HG2 THR 40 -3.505 -7.184 -1.437 304 2HG2 THR 40 2HG2 THR 40 -3.517 -8.023 -2.988 305 3HG2 THR 40 3HG2 THR 40 -2.629 -6.510 -2.812 306 H GLN 41 H GLN 41 -6.577 -5.567 -0.073 307 HA GLN 41 HA GLN 41 -8.952 -4.630 -1.519 308 1HB GLN 41 1HB GLN 41 -8.395 -6.819 0.393 309 2HB GLN 41 2HB GLN 41 -9.944 -6.026 0.548 310 1HG GLN 41 1HG GLN 41 -10.744 -6.921 -1.355 311 2HG GLN 41 2HG GLN 41 -9.196 -6.779 -2.187 312 2HE2 GLN 41 2HE2 GLN 41 -10.397 -8.511 0.673 313 1HE2 GLN 41 1HE2 GLN 41 -9.771 -10.054 0.212 314 H ALA 42 H ALA 42 -6.815 -3.467 0.624 315 HA ALA 42 HA ALA 42 -8.410 -2.545 2.762 316 1HB ALA 42 1HB ALA 42 -5.683 -2.110 1.797 317 2HB ALA 42 2HB ALA 42 -6.291 -2.319 3.439 318 3HB ALA 42 3HB ALA 42 -6.383 -0.740 2.658 319 H THR 43 H THR 43 -9.624 -0.809 3.037 320 HA THR 43 HA THR 43 -9.752 1.200 0.883 321 HB THR 43 HB THR 43 -12.058 1.290 0.977 322 HG1 THR 43 HG1 THR 43 -12.701 1.580 2.994 323 1HG2 THR 43 1HG2 THR 43 -10.962 -1.263 0.799 324 2HG2 THR 43 2HG2 THR 43 -12.341 -1.446 1.882 325 3HG2 THR 43 3HG2 THR 43 -12.569 -0.767 0.271 326 H ASN 44 H ASN 44 -9.569 3.324 1.545 327 HA ASN 44 HA ASN 44 -9.671 3.828 4.444 328 1HB ASN 44 1HB ASN 44 -7.445 4.145 2.629 329 2HB ASN 44 2HB ASN 44 -7.882 5.693 3.346 330 2HD2 ASN 44 2HD2 ASN 44 -8.570 5.221 5.821 331 1HD2 ASN 44 1HD2 ASN 44 -7.315 4.436 6.713 332 H ARG 45 H ARG 45 -11.544 4.909 4.641 333 HA ARG 45 HA ARG 45 -12.384 6.857 2.682 334 1HB ARG 45 1HB ARG 45 -13.865 5.261 4.109 335 2HB ARG 45 2HB ARG 45 -13.685 6.484 5.360 336 1HG ARG 45 1HG ARG 45 -14.662 8.158 3.894 337 2HG ARG 45 2HG ARG 45 -14.802 6.961 2.605 338 1HD ARG 45 1HD ARG 45 -16.739 6.244 3.420 339 2HD ARG 45 2HD ARG 45 -16.006 5.944 4.996 340 HE ARG 45 HE ARG 45 -16.902 7.913 5.756 341 1HH1 ARG 45 1HH1 ARG 45 -17.125 7.813 2.281 342 2HH1 ARG 45 2HH1 ARG 45 -18.128 9.221 2.176 343 1HH2 ARG 45 1HH2 ARG 45 -18.223 9.767 5.628 344 2HH2 ARG 45 2HH2 ARG 45 -18.751 10.332 4.078 345 H ASN 46 H ASN 46 -12.082 8.988 2.749 346 HA ASN 46 HA ASN 46 -10.856 10.131 5.170 347 1HB ASN 46 1HB ASN 46 -10.739 11.449 2.479 348 2HB ASN 46 2HB ASN 46 -9.636 11.609 3.840 349 2HD2 ASN 46 2HD2 ASN 46 -9.704 10.576 0.845 350 1HD2 ASN 46 1HD2 ASN 46 -8.635 9.221 0.923 351 H THR 47 H THR 47 -11.234 12.631 5.203 352 HA THR 47 HA THR 47 -14.083 12.987 5.469 353 HB THR 47 HB THR 47 -13.522 15.198 6.396 354 HG1 THR 47 HG1 THR 47 -10.827 14.841 6.514 355 1HG2 THR 47 1HG2 THR 47 -13.218 12.863 7.623 356 2HG2 THR 47 2HG2 THR 47 -11.537 13.394 7.683 357 3HG2 THR 47 3HG2 THR 47 -12.801 14.385 8.411 358 H ASP 48 H ASP 48 -11.758 13.591 3.059 359 HA ASP 48 HA ASP 48 -12.967 15.887 1.869 360 1HB ASP 48 1HB ASP 48 -11.543 15.215 -0.122 361 2HB ASP 48 2HB ASP 48 -10.676 15.539 1.375 362 H GLY 49 H GLY 49 -13.854 12.645 2.008 363 1HA GLY 49 1HA GLY 49 -15.753 13.060 -0.205 364 2HA GLY 49 2HA GLY 49 -16.013 11.993 1.166 365 H SER 50 H SER 50 -12.960 12.074 -0.508 366 HA SER 50 HA SER 50 -13.603 9.836 -2.211 367 1HB SER 50 1HB SER 50 -10.945 9.983 -2.466 368 2HB SER 50 2HB SER 50 -12.031 11.088 -3.305 369 HG SER 50 HG SER 50 -10.943 12.577 -2.302 370 H THR 51 H THR 51 -11.921 7.989 -2.231 371 HA THR 51 HA THR 51 -11.212 7.148 0.487 372 HB THR 51 HB THR 51 -12.537 5.149 -1.303 373 HG1 THR 51 HG1 THR 51 -13.893 6.950 0.446 374 1HG2 THR 51 1HG2 THR 51 -11.313 4.807 1.023 375 2HG2 THR 51 2HG2 THR 51 -12.889 5.294 1.647 376 3HG2 THR 51 3HG2 THR 51 -12.755 3.887 0.592 377 H ASP 52 H ASP 52 -9.907 5.084 0.446 378 HA ASP 52 HA ASP 52 -8.162 5.022 -1.931 379 1HB ASP 52 1HB ASP 52 -7.483 4.611 0.986 380 2HB ASP 52 2HB ASP 52 -6.371 4.278 -0.338 381 H TYR 53 H TYR 53 -9.347 3.399 -2.937 382 HA TYR 53 HA TYR 53 -9.578 0.855 -1.523 383 1HB TYR 53 1HB TYR 53 -10.620 1.608 -4.259 384 2HB TYR 53 2HB TYR 53 -10.983 0.136 -3.370 385 HD1 TYR 53 HD1 TYR 53 -12.037 0.568 -0.962 386 HD2 TYR 53 HD2 TYR 53 -12.171 3.305 -4.214 387 HE1 TYR 53 HE1 TYR 53 -14.017 1.639 0.028 388 HE2 TYR 53 HE2 TYR 53 -14.154 4.381 -3.235 389 HH TYR 53 HH TYR 53 -15.964 3.005 -0.770 390 H GLY 54 H GLY 54 -7.183 0.471 -1.603 391 1HA GLY 54 1HA GLY 54 -5.938 0.171 -4.144 392 2HA GLY 54 2HA GLY 54 -6.501 -1.379 -3.540 393 H ILE 55 H ILE 55 -4.214 -1.960 -3.598 394 HA ILE 55 HA ILE 55 -3.005 -1.765 -1.032 395 HB ILE 55 HB ILE 55 -2.608 -3.663 -2.657 396 1HG1 ILE 55 1HG1 ILE 55 -0.035 -2.311 -1.832 397 2HG1 ILE 55 2HG1 ILE 55 -1.115 -3.089 -0.680 398 1HG2 ILE 55 1HG2 ILE 55 -0.908 -1.596 -4.047 399 2HG2 ILE 55 2HG2 ILE 55 -0.877 -3.327 -4.388 400 3HG2 ILE 55 3HG2 ILE 55 -2.343 -2.394 -4.693 401 1HD1 ILE 55 1HD1 ILE 55 -0.859 -5.142 -2.259 402 2HD1 ILE 55 2HD1 ILE 55 0.596 -4.302 -2.793 403 3HD1 ILE 55 3HD1 ILE 55 0.408 -4.750 -1.098 404 H LEU 56 H LEU 56 -2.972 0.077 -3.914 405 HA LEU 56 HA LEU 56 -0.816 1.798 -2.899 406 1HB LEU 56 1HB LEU 56 -1.433 0.812 -5.545 407 2HB LEU 56 2HB LEU 56 -1.484 2.563 -5.532 408 HG LEU 56 HG LEU 56 0.721 2.109 -6.142 409 1HD1 LEU 56 1HD1 LEU 56 0.396 3.538 -3.995 410 2HD1 LEU 56 2HD1 LEU 56 1.170 2.174 -3.188 411 3HD1 LEU 56 3HD1 LEU 56 2.017 3.032 -4.475 412 1HD2 LEU 56 1HD2 LEU 56 0.266 -0.332 -4.665 413 2HD2 LEU 56 2HD2 LEU 56 1.424 0.009 -5.951 414 3HD2 LEU 56 3HD2 LEU 56 1.836 0.370 -4.274 415 H GLN 57 H GLN 57 -3.978 1.502 -2.633 416 HA GLN 57 HA GLN 57 -5.645 2.885 -2.024 417 1HB GLN 57 1HB GLN 57 -3.793 5.225 -2.427 418 2HB GLN 57 2HB GLN 57 -5.200 5.124 -1.378 419 1HG GLN 57 1HG GLN 57 -2.748 3.438 -0.977 420 2HG GLN 57 2HG GLN 57 -2.945 5.034 -0.255 421 2HE2 GLN 57 2HE2 GLN 57 -4.106 1.748 -0.313 422 1HE2 GLN 57 1HE2 GLN 57 -4.955 1.810 1.190 423 H ILE 58 H ILE 58 -6.535 2.173 -4.192 424 HA ILE 58 HA ILE 58 -6.321 4.173 -6.275 425 HB ILE 58 HB ILE 58 -7.757 1.525 -6.130 426 1HG1 ILE 58 1HG1 ILE 58 -6.166 1.013 -8.018 427 2HG1 ILE 58 2HG1 ILE 58 -5.388 2.560 -7.702 428 1HG2 ILE 58 1HG2 ILE 58 -8.023 3.744 -8.086 429 2HG2 ILE 58 2HG2 ILE 58 -7.990 2.093 -8.707 430 3HG2 ILE 58 3HG2 ILE 58 -9.218 2.571 -7.535 431 1HD1 ILE 58 1HD1 ILE 58 -5.434 1.336 -5.232 432 2HD1 ILE 58 2HD1 ILE 58 -5.088 0.020 -6.354 433 3HD1 ILE 58 3HD1 ILE 58 -4.056 1.449 -6.326 434 H ASN 59 H ASN 59 -7.352 5.984 -5.629 435 HA ASN 59 HA ASN 59 -9.813 6.029 -4.255 436 1HB ASN 59 1HB ASN 59 -8.240 7.932 -4.273 437 2HB ASN 59 2HB ASN 59 -8.549 8.166 -5.992 438 2HD2 ASN 59 2HD2 ASN 59 -9.105 10.339 -5.221 439 1HD2 ASN 59 1HD2 ASN 59 -10.719 10.632 -4.682 440 H SER 60 H SER 60 -11.454 4.900 -5.198 441 HA SER 60 HA SER 60 -11.934 4.753 -7.959 442 1HB SER 60 1HB SER 60 -13.888 3.583 -7.414 443 2HB SER 60 2HB SER 60 -12.837 3.276 -6.031 444 HG SER 60 HG SER 60 -14.994 5.101 -6.216 445 H ARG 61 H ARG 61 -12.378 7.361 -5.847 446 HA ARG 61 HA ARG 61 -14.670 8.485 -7.207 447 1HB ARG 61 1HB ARG 61 -14.036 8.805 -4.730 448 2HB ARG 61 2HB ARG 61 -12.851 9.964 -5.320 449 1HG ARG 61 1HG ARG 61 -15.165 10.738 -6.590 450 2HG ARG 61 2HG ARG 61 -15.723 10.235 -4.994 451 1HD ARG 61 1HD ARG 61 -13.549 11.661 -4.302 452 2HD ARG 61 2HD ARG 61 -14.008 12.504 -5.780 453 HE ARG 61 HE ARG 61 -15.621 12.279 -3.341 454 1HH1 ARG 61 1HH1 ARG 61 -15.111 13.624 -6.514 455 2HH1 ARG 61 2HH1 ARG 61 -16.321 14.849 -6.330 456 1HH2 ARG 61 1HH2 ARG 61 -17.217 13.888 -3.090 457 2HH2 ARG 61 2HH2 ARG 61 -17.518 14.999 -4.384 458 H TRP 62 H TRP 62 -11.251 9.397 -6.819 459 HA TRP 62 HA TRP 62 -11.420 11.353 -8.934 460 1HB TRP 62 1HB TRP 62 -9.666 10.857 -6.784 461 2HB TRP 62 2HB TRP 62 -8.709 10.645 -8.246 462 HD1 TRP 62 HD1 TRP 62 -7.949 12.793 -9.493 463 HE1 TRP 62 HE1 TRP 62 -8.304 15.314 -9.119 464 HE3 TRP 62 HE3 TRP 62 -11.540 12.577 -5.861 465 HZ2 TRP 62 HZ2 TRP 62 -9.896 16.991 -7.497 466 HZ3 TRP 62 HZ3 TRP 62 -12.426 14.685 -4.951 467 HH2 TRP 62 HH2 TRP 62 -11.620 16.845 -5.753 468 H TRP 63 H TRP 63 -9.944 8.179 -8.469 469 HA TRP 63 HA TRP 63 -9.358 8.043 -11.343 470 1HB TRP 63 1HB TRP 63 -8.420 6.090 -9.238 471 2HB TRP 63 2HB TRP 63 -7.792 6.310 -10.867 472 HD1 TRP 63 HD1 TRP 63 -6.830 7.040 -7.466 473 HE1 TRP 63 HE1 TRP 63 -5.131 8.977 -7.362 474 HE3 TRP 63 HE3 TRP 63 -7.476 8.908 -12.154 475 HZ2 TRP 63 HZ2 TRP 63 -4.194 11.038 -9.068 476 HZ3 TRP 63 HZ3 TRP 63 -6.182 10.858 -12.851 477 HH2 TRP 63 HH2 TRP 63 -4.557 11.908 -11.343 478 H CYS 64 H CYS 64 -9.810 6.089 -12.466 479 HA CYS 64 HA CYS 64 -11.281 4.604 -13.307 480 1HB CYS 64 1HB CYS 64 -11.315 2.612 -12.156 481 2HB CYS 64 2HB CYS 64 -10.004 3.437 -11.325 482 H ASN 65 H ASN 65 -13.380 3.813 -13.494 483 HA ASN 65 HA ASN 65 -15.369 5.543 -12.197 484 1HB ASN 65 1HB ASN 65 -15.266 5.438 -14.706 485 2HB ASN 65 2HB ASN 65 -15.731 3.743 -14.603 486 2HD2 ASN 65 2HD2 ASN 65 -17.816 3.205 -13.961 487 1HD2 ASN 65 1HD2 ASN 65 -19.102 4.358 -13.964 488 H ASP 66 H ASP 66 -16.216 4.684 -10.417 489 HA ASP 66 HA ASP 66 -16.567 1.780 -10.255 490 1HB ASP 66 1HB ASP 66 -16.729 2.049 -7.875 491 2HB ASP 66 2HB ASP 66 -15.342 2.979 -8.435 492 H GLY 67 H GLY 67 -18.360 4.617 -10.802 493 1HA GLY 67 1HA GLY 67 -20.792 3.162 -11.059 494 2HA GLY 67 2HA GLY 67 -20.603 4.901 -11.217 495 H ARG 68 H ARG 68 -19.389 3.758 -8.274 496 HA ARG 68 HA ARG 68 -21.918 3.930 -6.860 497 1HB ARG 68 1HB ARG 68 -19.149 3.585 -5.702 498 2HB ARG 68 2HB ARG 68 -20.681 3.262 -4.903 499 1HG ARG 68 1HG ARG 68 -20.640 1.722 -7.268 500 2HG ARG 68 2HG ARG 68 -19.077 1.516 -6.476 501 1HD ARG 68 1HD ARG 68 -20.459 1.159 -4.330 502 2HD ARG 68 2HD ARG 68 -21.818 0.910 -5.425 503 HE ARG 68 HE ARG 68 -19.402 -0.684 -5.829 504 1HH1 ARG 68 1HH1 ARG 68 -22.721 -0.483 -4.787 505 2HH1 ARG 68 2HH1 ARG 68 -22.965 -2.197 -4.807 506 1HH2 ARG 68 1HH2 ARG 68 -19.716 -2.942 -5.859 507 2HH2 ARG 68 2HH2 ARG 68 -21.257 -3.595 -5.415 508 H THR 69 H THR 69 -19.791 6.128 -8.035 509 HA THR 69 HA THR 69 -20.531 8.091 -5.974 510 HB THR 69 HB THR 69 -17.921 8.419 -7.384 511 HG1 THR 69 HG1 THR 69 -18.038 6.967 -4.962 512 1HG2 THR 69 1HG2 THR 69 -19.193 9.299 -4.830 513 2HG2 THR 69 2HG2 THR 69 -17.435 9.242 -4.941 514 3HG2 THR 69 3HG2 THR 69 -18.356 10.252 -6.055 515 HA PRO 70 HA PRO 70 -22.066 10.178 -9.609 516 1HB PRO 70 1HB PRO 70 -22.852 12.468 -8.399 517 2HB PRO 70 2HB PRO 70 -23.755 10.956 -8.253 518 1HG PRO 70 1HG PRO 70 -21.814 12.193 -6.339 519 2HG PRO 70 2HG PRO 70 -23.379 11.426 -6.006 520 1HD PRO 70 1HD PRO 70 -21.011 10.149 -5.646 521 2HD PRO 70 2HD PRO 70 -22.499 9.300 -6.111 522 H GLY 71 H GLY 71 -19.283 10.840 -7.928 523 1HA GLY 71 1HA GLY 71 -17.918 12.863 -8.043 524 2HA GLY 71 2HA GLY 71 -18.672 13.201 -9.593 525 H SER 72 H SER 72 -18.236 9.986 -9.654 526 HA SER 72 HA SER 72 -15.553 9.451 -9.915 527 1HB SER 72 1HB SER 72 -16.281 7.686 -11.595 528 2HB SER 72 2HB SER 72 -17.092 7.636 -10.030 529 HG SER 72 HG SER 72 -18.799 8.875 -11.053 530 H ARG 73 H ARG 73 -14.201 10.811 -10.925 531 HA ARG 73 HA ARG 73 -14.833 12.201 -13.324 532 1HB ARG 73 1HB ARG 73 -12.625 12.074 -11.445 533 2HB ARG 73 2HB ARG 73 -12.052 12.165 -13.105 534 1HG ARG 73 1HG ARG 73 -14.208 14.039 -12.394 535 2HG ARG 73 2HG ARG 73 -12.654 14.309 -11.603 536 1HD ARG 73 1HD ARG 73 -11.707 14.011 -14.021 537 2HD ARG 73 2HD ARG 73 -13.353 14.411 -14.505 538 HE ARG 73 HE ARG 73 -11.978 16.213 -12.658 539 1HH1 ARG 73 1HH1 ARG 73 -13.192 15.559 -15.859 540 2HH1 ARG 73 2HH1 ARG 73 -13.110 17.212 -16.368 541 1HH2 ARG 73 1HH2 ARG 73 -11.867 18.392 -13.320 542 2HH2 ARG 73 2HH2 ARG 73 -12.357 18.822 -14.925 543 H ASN 74 H ASN 74 -12.989 9.279 -12.600 544 HA ASN 74 HA ASN 74 -12.356 7.512 -13.911 545 1HB ASN 74 1HB ASN 74 -14.673 8.014 -14.994 546 2HB ASN 74 2HB ASN 74 -13.733 8.747 -16.291 547 2HD2 ASN 74 2HD2 ASN 74 -12.954 5.917 -14.338 548 1HD2 ASN 74 1HD2 ASN 74 -12.935 4.795 -15.650 549 H LEU 75 H LEU 75 -10.737 9.732 -13.523 550 HA LEU 75 HA LEU 75 -9.502 10.844 -15.760 551 1HB LEU 75 1HB LEU 75 -8.912 10.304 -12.930 552 2HB LEU 75 2HB LEU 75 -7.515 10.568 -13.945 553 HG LEU 75 HG LEU 75 -9.865 12.470 -13.724 554 1HD1 LEU 75 1HD1 LEU 75 -8.207 11.962 -11.667 555 2HD1 LEU 75 2HD1 LEU 75 -7.291 13.216 -12.504 556 3HD1 LEU 75 3HD1 LEU 75 -8.941 13.537 -11.971 557 1HD2 LEU 75 1HD2 LEU 75 -8.026 12.370 -15.689 558 2HD2 LEU 75 2HD2 LEU 75 -8.792 13.861 -15.140 559 3HD2 LEU 75 3HD2 LEU 75 -7.194 13.417 -14.540 560 H CYS 76 H CYS 76 -8.831 8.078 -13.855 561 HA CYS 76 HA CYS 76 -6.587 7.152 -15.342 562 1HB CYS 76 1HB CYS 76 -7.607 6.827 -12.854 563 2HB CYS 76 2HB CYS 76 -8.047 5.303 -13.612 564 H ASN 77 H ASN 77 -10.017 6.631 -15.314 565 HA ASN 77 HA ASN 77 -11.439 5.357 -16.573 566 1HB ASN 77 1HB ASN 77 -10.156 6.818 -18.310 567 2HB ASN 77 2HB ASN 77 -9.345 5.312 -18.733 568 2HD2 ASN 77 2HD2 ASN 77 -11.354 7.131 -20.090 569 1HD2 ASN 77 1HD2 ASN 77 -12.583 6.051 -20.646 570 H ILE 78 H ILE 78 -10.323 3.843 -14.798 571 HA ILE 78 HA ILE 78 -9.504 1.427 -16.241 572 HB ILE 78 HB ILE 78 -7.765 1.006 -14.887 573 1HG1 ILE 78 1HG1 ILE 78 -9.645 1.866 -12.768 574 2HG1 ILE 78 2HG1 ILE 78 -8.565 0.479 -12.816 575 1HG2 ILE 78 1HG2 ILE 78 -7.400 3.271 -15.717 576 2HG2 ILE 78 2HG2 ILE 78 -8.141 3.925 -14.258 577 3HG2 ILE 78 3HG2 ILE 78 -6.629 3.023 -14.150 578 1HD1 ILE 78 1HD1 ILE 78 -6.685 2.125 -12.380 579 2HD1 ILE 78 2HD1 ILE 78 -7.947 3.297 -12.005 580 3HD1 ILE 78 3HD1 ILE 78 -7.807 1.820 -11.055 581 HA PRO 79 HA PRO 79 -12.751 -0.621 -14.015 582 1HB PRO 79 1HB PRO 79 -11.346 -3.140 -13.975 583 2HB PRO 79 2HB PRO 79 -12.662 -2.647 -15.039 584 1HG PRO 79 1HG PRO 79 -10.085 -3.094 -15.878 585 2HG PRO 79 2HG PRO 79 -11.242 -2.047 -16.720 586 1HD PRO 79 1HD PRO 79 -9.003 -1.307 -14.879 587 2HD PRO 79 2HD PRO 79 -9.566 -0.496 -16.356 588 H CYS 80 H CYS 80 -12.878 -0.033 -11.901 589 HA CYS 80 HA CYS 80 -10.781 -0.141 -10.068 590 1HB CYS 80 1HB CYS 80 -13.633 -0.287 -9.166 591 2HB CYS 80 2HB CYS 80 -12.296 0.642 -8.493 592 H SER 81 H SER 81 -13.652 -2.286 -10.169 593 HA SER 81 HA SER 81 -12.834 -4.041 -8.187 594 1HB SER 81 1HB SER 81 -14.494 -5.545 -8.994 595 2HB SER 81 2HB SER 81 -15.099 -3.923 -9.325 596 HG SER 81 HG SER 81 -15.239 -5.512 -11.089 597 H ALA 82 H ALA 82 -11.695 -3.805 -11.468 598 HA ALA 82 HA ALA 82 -10.648 -6.444 -11.680 599 1HB ALA 82 1HB ALA 82 -10.990 -5.348 -13.717 600 2HB ALA 82 2HB ALA 82 -9.237 -5.377 -13.524 601 3HB ALA 82 3HB ALA 82 -10.136 -3.899 -13.183 602 H LEU 83 H LEU 83 -9.721 -3.850 -9.809 603 HA LEU 83 HA LEU 83 -6.904 -4.682 -9.720 604 1HB LEU 83 1HB LEU 83 -6.328 -2.594 -8.979 605 2HB LEU 83 2HB LEU 83 -7.727 -2.205 -9.960 606 HG LEU 83 HG LEU 83 -8.883 -2.588 -7.518 607 1HD1 LEU 83 1HD1 LEU 83 -6.151 -2.414 -6.961 608 2HD1 LEU 83 2HD1 LEU 83 -6.820 -0.833 -6.556 609 3HD1 LEU 83 3HD1 LEU 83 -7.489 -2.288 -5.818 610 1HD2 LEU 83 1HD2 LEU 83 -8.835 -0.645 -9.316 611 2HD2 LEU 83 2HD2 LEU 83 -9.433 -0.384 -7.678 612 3HD2 LEU 83 3HD2 LEU 83 -7.795 0.109 -8.106 613 H LEU 84 H LEU 84 -9.811 -5.156 -8.149 614 HA LEU 84 HA LEU 84 -8.498 -5.749 -5.590 615 1HB LEU 84 1HB LEU 84 -11.458 -5.693 -5.876 616 2HB LEU 84 2HB LEU 84 -10.459 -5.242 -4.507 617 HG LEU 84 HG LEU 84 -10.323 -3.571 -6.968 618 1HD1 LEU 84 1HD1 LEU 84 -12.745 -3.985 -6.476 619 2HD1 LEU 84 2HD1 LEU 84 -12.487 -3.219 -4.908 620 3HD1 LEU 84 3HD1 LEU 84 -12.240 -2.297 -6.391 621 1HD2 LEU 84 1HD2 LEU 84 -10.141 -3.014 -4.011 622 2HD2 LEU 84 2HD2 LEU 84 -8.807 -3.082 -5.162 623 3HD2 LEU 84 3HD2 LEU 84 -10.007 -1.794 -5.278 624 H SER 85 H SER 85 -8.197 -7.523 -7.738 625 HA SER 85 HA SER 85 -9.705 -9.828 -6.724 626 1HB SER 85 1HB SER 85 -9.397 -8.897 -9.513 627 2HB SER 85 2HB SER 85 -9.171 -10.628 -9.265 628 HG SER 85 HG SER 85 -11.270 -10.190 -7.920 629 H SER 86 H SER 86 -7.270 -8.881 -5.876 630 HA SER 86 HA SER 86 -5.254 -9.677 -5.152 631 1HB SER 86 1HB SER 86 -6.498 -11.930 -5.200 632 2HB SER 86 2HB SER 86 -5.726 -12.191 -6.764 633 HG SER 86 HG SER 86 -4.452 -13.089 -5.147 634 H ASP 87 H ASP 87 -5.982 -8.435 -7.752 635 HA ASP 87 HA ASP 87 -3.522 -8.983 -9.263 636 1HB ASP 87 1HB ASP 87 -5.779 -9.600 -10.243 637 2HB ASP 87 2HB ASP 87 -6.120 -7.877 -10.297 638 H ILE 88 H ILE 88 -2.086 -7.340 -8.965 639 HA ILE 88 HA ILE 88 -3.115 -4.668 -8.421 640 HB ILE 88 HB ILE 88 -0.504 -4.243 -8.327 641 1HG1 ILE 88 1HG1 ILE 88 -0.318 -6.930 -7.155 642 2HG1 ILE 88 2HG1 ILE 88 -0.474 -6.926 -8.908 643 1HG2 ILE 88 1HG2 ILE 88 -2.364 -5.372 -6.295 644 2HG2 ILE 88 2HG2 ILE 88 -0.674 -5.107 -5.867 645 3HG2 ILE 88 3HG2 ILE 88 -1.668 -3.756 -6.414 646 1HD1 ILE 88 1HD1 ILE 88 1.439 -4.959 -8.180 647 2HD1 ILE 88 2HD1 ILE 88 1.829 -6.463 -7.345 648 3HD1 ILE 88 3HD1 ILE 88 1.672 -6.445 -9.101 649 H THR 89 H THR 89 -3.356 -5.925 -11.064 650 HA THR 89 HA THR 89 -1.447 -4.573 -12.755 651 HB THR 89 HB THR 89 -4.044 -5.853 -13.628 652 HG1 THR 89 HG1 THR 89 -2.026 -7.061 -12.432 653 1HG2 THR 89 1HG2 THR 89 -2.138 -4.418 -15.033 654 2HG2 THR 89 2HG2 THR 89 -1.715 -6.100 -15.351 655 3HG2 THR 89 3HG2 THR 89 -3.336 -5.513 -15.722 656 H ALA 90 H ALA 90 -4.924 -4.328 -12.072 657 HA ALA 90 HA ALA 90 -5.304 -1.989 -13.560 658 1HB ALA 90 1HB ALA 90 -6.906 -3.711 -11.883 659 2HB ALA 90 2HB ALA 90 -7.310 -2.009 -11.655 660 3HB ALA 90 3HB ALA 90 -7.384 -2.726 -13.265 661 H SER 91 H SER 91 -4.679 -2.631 -10.147 662 HA SER 91 HA SER 91 -4.921 0.008 -9.197 663 1HB SER 91 1HB SER 91 -2.942 -1.420 -7.701 664 2HB SER 91 2HB SER 91 -4.604 -1.047 -7.246 665 HG SER 91 HG SER 91 -4.758 -3.158 -7.329 666 H VAL 92 H VAL 92 -2.147 -1.818 -10.366 667 HA VAL 92 HA VAL 92 -0.331 0.323 -9.874 668 HB VAL 92 HB VAL 92 -0.032 -2.164 -11.546 669 1HG1 VAL 92 1HG1 VAL 92 1.830 0.203 -11.330 670 2HG1 VAL 92 2HG1 VAL 92 2.392 -1.404 -11.794 671 3HG1 VAL 92 3HG1 VAL 92 1.206 -0.562 -12.791 672 1HG2 VAL 92 1HG2 VAL 92 0.441 -1.486 -8.827 673 2HG2 VAL 92 2HG2 VAL 92 0.759 -3.015 -9.647 674 3HG2 VAL 92 3HG2 VAL 92 2.004 -1.766 -9.595 675 H ASN 93 H ASN 93 -1.886 -0.879 -12.846 676 HA ASN 93 HA ASN 93 -0.836 0.759 -14.674 677 1HB ASN 93 1HB ASN 93 -2.348 -0.291 -15.890 678 2HB ASN 93 2HB ASN 93 -3.163 -0.786 -14.431 679 2HD2 ASN 93 2HD2 ASN 93 -5.123 0.008 -14.008 680 1HD2 ASN 93 1HD2 ASN 93 -5.885 1.286 -14.885 681 H CYS 94 H CYS 94 -3.316 1.536 -12.337 682 HA CYS 94 HA CYS 94 -3.859 4.142 -13.274 683 1HB CYS 94 1HB CYS 94 -5.109 2.608 -11.509 684 2HB CYS 94 2HB CYS 94 -4.114 3.513 -10.369 685 H ALA 95 H ALA 95 -1.707 2.935 -10.690 686 HA ALA 95 HA ALA 95 -0.728 5.531 -10.042 687 1HB ALA 95 1HB ALA 95 -0.615 3.543 -8.545 688 2HB ALA 95 2HB ALA 95 0.724 2.965 -9.538 689 3HB ALA 95 3HB ALA 95 0.864 4.494 -8.669 690 H LYS 96 H LYS 96 0.345 3.009 -12.256 691 HA LYS 96 HA LYS 96 2.840 3.933 -12.957 692 1HB LYS 96 1HB LYS 96 1.329 1.920 -13.859 693 2HB LYS 96 2HB LYS 96 1.011 3.066 -15.153 694 1HG LYS 96 1HG LYS 96 3.383 3.229 -15.627 695 2HG LYS 96 2HG LYS 96 3.743 2.143 -14.283 696 1HD LYS 96 1HD LYS 96 2.896 0.292 -15.382 697 2HD LYS 96 2HD LYS 96 1.877 1.264 -16.446 698 1HE LYS 96 1HE LYS 96 3.932 2.097 -17.562 699 2HE LYS 96 2HE LYS 96 4.878 0.996 -16.563 700 1HZ LYS 96 1HZ LYS 96 3.526 -0.840 -17.524 701 2HZ LYS 96 2HZ LYS 96 2.850 0.274 -18.602 702 3HZ LYS 96 3HZ LYS 96 4.510 -0.046 -18.646 703 H LYS 97 H LYS 97 -0.348 4.931 -13.749 704 HA LYS 97 HA LYS 97 0.414 7.046 -15.581 705 1HB LYS 97 1HB LYS 97 -2.198 6.093 -14.438 706 2HB LYS 97 2HB LYS 97 -2.099 7.636 -15.274 707 1HG LYS 97 1HG LYS 97 -0.937 5.316 -16.677 708 2HG LYS 97 2HG LYS 97 -2.692 5.329 -16.491 709 1HD LYS 97 1HD LYS 97 -2.159 7.903 -17.271 710 2HD LYS 97 2HD LYS 97 -0.969 6.972 -18.185 711 1HE LYS 97 1HE LYS 97 -3.940 6.451 -18.126 712 2HE LYS 97 2HE LYS 97 -3.068 7.264 -19.426 713 1HZ LYS 97 1HZ LYS 97 -1.738 4.894 -19.043 714 2HZ LYS 97 2HZ LYS 97 -3.374 4.478 -18.932 715 3HZ LYS 97 3HZ LYS 97 -2.792 5.265 -20.313 716 H ILE 98 H ILE 98 -0.425 6.645 -12.205 717 HA ILE 98 HA ILE 98 -0.865 9.326 -11.545 718 HB ILE 98 HB ILE 98 0.136 7.071 -9.833 719 1HG1 ILE 98 1HG1 ILE 98 -2.564 8.441 -9.952 720 2HG1 ILE 98 2HG1 ILE 98 -2.189 6.924 -10.760 721 1HG2 ILE 98 1HG2 ILE 98 -0.162 9.944 -9.263 722 2HG2 ILE 98 2HG2 ILE 98 -0.892 8.858 -8.080 723 3HG2 ILE 98 3HG2 ILE 98 0.825 8.722 -8.459 724 1HD1 ILE 98 1HD1 ILE 98 -1.465 6.709 -8.014 725 2HD1 ILE 98 2HD1 ILE 98 -3.114 7.321 -8.136 726 3HD1 ILE 98 3HD1 ILE 98 -2.675 5.804 -8.921 727 H VAL 99 H VAL 99 2.047 7.362 -11.390 728 HA VAL 99 HA VAL 99 3.749 9.518 -10.595 729 HB VAL 99 HB VAL 99 4.163 7.116 -10.033 730 1HG1 VAL 99 1HG1 VAL 99 3.660 6.463 -12.513 731 2HG1 VAL 99 2HG1 VAL 99 5.384 6.766 -12.732 732 3HG1 VAL 99 3HG1 VAL 99 4.843 5.550 -11.574 733 1HG2 VAL 99 1HG2 VAL 99 5.913 9.121 -10.326 734 2HG2 VAL 99 2HG2 VAL 99 6.380 7.507 -9.790 735 3HG2 VAL 99 3HG2 VAL 99 6.595 7.973 -11.478 736 H SER 100 H SER 100 2.653 8.261 -13.650 737 HA SER 100 HA SER 100 4.822 9.548 -15.113 738 1HB SER 100 1HB SER 100 3.857 7.304 -15.783 739 2HB SER 100 2HB SER 100 2.401 8.168 -16.277 740 HG SER 100 HG SER 100 3.420 8.947 -17.966 741 H ASP 101 H ASP 101 1.953 10.504 -13.771 742 HA ASP 101 HA ASP 101 1.733 12.747 -15.669 743 1HB ASP 101 1HB ASP 101 -0.510 11.157 -14.429 744 2HB ASP 101 2HB ASP 101 -0.753 12.750 -15.141 745 H GLY 102 H GLY 102 2.108 11.723 -12.472 746 1HA GLY 102 1HA GLY 102 1.077 13.134 -10.610 747 2HA GLY 102 2HA GLY 102 1.687 14.490 -11.543 748 H ASN 103 H ASN 103 2.274 12.817 -8.871 749 HA ASN 103 HA ASN 103 5.164 13.323 -9.026 750 1HB ASN 103 1HB ASN 103 3.169 13.442 -6.793 751 2HB ASN 103 2HB ASN 103 4.869 13.162 -6.424 752 2HD2 ASN 103 2HD2 ASN 103 2.800 15.465 -6.208 753 1HD2 ASN 103 1HD2 ASN 103 3.711 16.841 -6.720 754 H GLY 104 H GLY 104 6.620 11.863 -7.977 755 1HA GLY 104 1HA GLY 104 7.498 9.772 -7.664 756 2HA GLY 104 2HA GLY 104 6.146 9.161 -8.600 757 H MET 105 H MET 105 7.622 9.131 -5.629 758 HA MET 105 HA MET 105 5.449 7.625 -4.459 759 1HB MET 105 1HB MET 105 7.929 8.255 -2.933 760 2HB MET 105 2HB MET 105 7.010 6.757 -3.009 761 1HG MET 105 1HG MET 105 8.908 7.830 -5.080 762 2HG MET 105 2HG MET 105 9.143 6.427 -4.039 763 1HE MET 105 1HE MET 105 6.997 4.860 -3.821 764 2HE MET 105 2HE MET 105 5.603 5.477 -4.709 765 3HE MET 105 3HE MET 105 6.414 4.007 -5.251 766 H ASN 106 H ASN 106 6.120 10.800 -4.696 767 HA ASN 106 HA ASN 106 5.750 11.675 -2.015 768 1HB ASN 106 1HB ASN 106 5.133 13.445 -4.332 769 2HB ASN 106 2HB ASN 106 6.032 13.786 -2.861 770 2HD2 ASN 106 2HD2 ASN 106 8.189 13.003 -2.677 771 1HD2 ASN 106 1HD2 ASN 106 9.135 12.727 -4.097 772 H ALA 107 H ALA 107 3.640 11.044 -4.750 773 HA ALA 107 HA ALA 107 1.347 12.389 -3.984 774 1HB ALA 107 1HB ALA 107 1.506 9.688 -5.317 775 2HB ALA 107 2HB ALA 107 0.111 10.766 -5.319 776 3HB ALA 107 3HB ALA 107 1.599 11.247 -6.134 777 H TRP 108 H TRP 108 2.382 9.117 -3.080 778 HA TRP 108 HA TRP 108 0.140 8.759 -1.312 779 1HB TRP 108 1HB TRP 108 2.627 7.075 -1.698 780 2HB TRP 108 2HB TRP 108 1.200 6.597 -0.780 781 HD1 TRP 108 HD1 TRP 108 -1.073 6.140 -2.209 782 HE1 TRP 108 HE1 TRP 108 -1.408 5.432 -4.662 783 HE3 TRP 108 HE3 TRP 108 3.574 7.255 -4.020 784 HZ2 TRP 108 HZ2 TRP 108 0.097 5.358 -7.058 785 HZ3 TRP 108 HZ3 TRP 108 4.044 6.839 -6.397 786 HH2 TRP 108 HH2 TRP 108 2.345 5.906 -7.880 787 H VAL 109 H VAL 109 0.020 9.213 0.762 788 HA VAL 109 HA VAL 109 2.039 10.762 2.031 789 HB VAL 109 HB VAL 109 -0.044 9.725 3.724 790 1HG1 VAL 109 1HG1 VAL 109 1.545 11.655 4.153 791 2HG1 VAL 109 2HG1 VAL 109 0.544 12.577 3.030 792 3HG1 VAL 109 3HG1 VAL 109 -0.159 11.934 4.514 793 1HG2 VAL 109 1HG2 VAL 109 -0.692 10.949 1.110 794 2HG2 VAL 109 2HG2 VAL 109 -1.590 9.758 2.050 795 3HG2 VAL 109 3HG2 VAL 109 -1.637 11.461 2.507 796 H ALA 110 H ALA 110 1.283 7.380 2.138 797 HA ALA 110 HA ALA 110 2.401 6.865 4.701 798 1HB ALA 110 1HB ALA 110 1.668 5.170 2.353 799 2HB ALA 110 2HB ALA 110 1.013 5.161 3.990 800 3HB ALA 110 3HB ALA 110 2.610 4.481 3.674 801 H TRP 111 H TRP 111 3.717 7.365 1.570 802 HA TRP 111 HA TRP 111 6.290 6.222 2.262 803 1HB TRP 111 1HB TRP 111 5.522 6.023 -0.052 804 2HB TRP 111 2HB TRP 111 5.445 7.771 -0.197 805 HD1 TRP 111 HD1 TRP 111 7.837 4.867 -0.409 806 HE1 TRP 111 HE1 TRP 111 10.161 5.715 -1.117 807 HE3 TRP 111 HE3 TRP 111 7.045 9.899 0.053 808 HZ2 TRP 111 HZ2 TRP 111 11.485 8.186 -1.436 809 HZ3 TRP 111 HZ3 TRP 111 8.893 11.436 -0.473 810 HH2 TRP 111 HH2 TRP 111 11.067 10.596 -1.202 811 H ARG 112 H ARG 112 4.767 9.409 2.002 812 HA ARG 112 HA ARG 112 7.274 10.723 2.702 813 1HB ARG 112 1HB ARG 112 4.715 11.505 1.520 814 2HB ARG 112 2HB ARG 112 5.339 12.652 2.697 815 1HG ARG 112 1HG ARG 112 7.378 11.756 0.836 816 2HG ARG 112 2HG ARG 112 6.009 12.523 0.029 817 1HD ARG 112 1HD ARG 112 7.687 13.683 2.249 818 2HD ARG 112 2HD ARG 112 7.672 14.191 0.560 819 HE ARG 112 HE ARG 112 5.748 14.866 2.601 820 1HH1 ARG 112 1HH1 ARG 112 6.375 14.634 -0.820 821 2HH1 ARG 112 2HH1 ARG 112 5.146 15.776 -1.253 822 1HH2 ARG 112 1HH2 ARG 112 4.130 16.371 2.039 823 2HH2 ARG 112 2HH2 ARG 112 3.871 16.765 0.372 824 H ASN 113 H ASN 113 6.443 9.042 4.673 825 HA ASN 113 HA ASN 113 6.014 10.894 6.850 826 1HB ASN 113 1HB ASN 113 3.724 9.957 5.888 827 2HB ASN 113 2HB ASN 113 4.146 8.569 6.887 828 2HD2 ASN 113 2HD2 ASN 113 2.701 11.575 6.823 829 1HD2 ASN 113 1HD2 ASN 113 2.577 11.846 8.524 830 H ARG 114 H ARG 114 5.784 7.396 6.252 831 HA ARG 114 HA ARG 114 7.601 6.957 8.512 832 1HB ARG 114 1HB ARG 114 5.415 5.397 7.251 833 2HB ARG 114 2HB ARG 114 6.758 4.490 7.924 834 1HG ARG 114 1HG ARG 114 5.491 4.571 9.785 835 2HG ARG 114 2HG ARG 114 6.277 6.140 9.978 836 1HD ARG 114 1HD ARG 114 4.382 7.232 8.901 837 2HD ARG 114 2HD ARG 114 3.602 5.668 8.665 838 HE ARG 114 HE ARG 114 4.246 6.408 11.403 839 1HH1 ARG 114 1HH1 ARG 114 1.848 6.203 8.882 840 2HH1 ARG 114 2HH1 ARG 114 0.507 6.289 9.974 841 1HH2 ARG 114 1HH2 ARG 114 2.485 6.521 12.847 842 2HH2 ARG 114 2HH2 ARG 114 0.868 6.470 12.228 843 H CYS 115 H CYS 115 7.797 7.282 5.256 844 HA CYS 115 HA CYS 115 9.943 5.278 5.035 845 1HB CYS 115 1HB CYS 115 7.921 5.121 3.482 846 2HB CYS 115 2HB CYS 115 8.552 6.568 2.700 847 H LYS 116 H LYS 116 9.054 8.588 4.054 848 HA LYS 116 HA LYS 116 11.428 9.328 2.854 849 1HB LYS 116 1HB LYS 116 9.265 10.642 2.981 850 2HB LYS 116 2HB LYS 116 9.769 11.160 4.584 851 1HG LYS 116 1HG LYS 116 11.970 11.796 3.170 852 2HG LYS 116 2HG LYS 116 10.727 11.996 1.932 853 1HD LYS 116 1HD LYS 116 10.286 13.998 2.798 854 2HD LYS 116 2HD LYS 116 9.681 13.181 4.239 855 1HE LYS 116 1HE LYS 116 12.508 13.214 4.395 856 2HE LYS 116 2HE LYS 116 11.982 14.838 3.954 857 1HZ LYS 116 1HZ LYS 116 10.526 13.505 6.103 858 2HZ LYS 116 2HZ LYS 116 12.098 14.023 6.451 859 3HZ LYS 116 3HZ LYS 116 10.936 15.136 5.924 860 H GLY 117 H GLY 117 13.289 8.645 3.841 861 1HA GLY 117 1HA GLY 117 13.814 9.764 6.523 862 2HA GLY 117 2HA GLY 117 15.002 9.834 5.234 863 H THR 118 H THR 118 13.730 6.941 4.646 864 HA THR 118 HA THR 118 15.476 5.575 6.585 865 HB THR 118 HB THR 118 14.044 3.598 6.359 866 HG1 THR 118 HG1 THR 118 12.366 3.554 4.994 867 1HG2 THR 118 1HG2 THR 118 13.292 6.074 7.577 868 2HG2 THR 118 2HG2 THR 118 11.841 5.232 7.032 869 3HG2 THR 118 3HG2 THR 118 12.969 4.428 8.123 870 H ASP 119 H ASP 119 14.996 3.041 5.054 871 HA ASP 119 HA ASP 119 16.507 3.600 2.618 872 1HB ASP 119 1HB ASP 119 17.863 2.830 4.698 873 2HB ASP 119 2HB ASP 119 17.275 1.264 4.192 874 H VAL 120 H VAL 120 15.083 3.000 1.108 875 HA VAL 120 HA VAL 120 13.319 0.774 1.412 876 HB VAL 120 HB VAL 120 12.700 1.219 -0.944 877 1HG1 VAL 120 1HG1 VAL 120 12.181 2.757 1.284 878 2HG1 VAL 120 2HG1 VAL 120 12.623 3.945 0.059 879 3HG1 VAL 120 3HG1 VAL 120 11.306 2.814 -0.245 880 1HG2 VAL 120 1HG2 VAL 120 15.123 2.076 -1.417 881 2HG2 VAL 120 2HG2 VAL 120 13.755 2.758 -2.295 882 3HG2 VAL 120 3HG2 VAL 120 14.454 3.634 -0.934 883 H GLN 121 H GLN 121 16.432 1.357 -0.059 884 HA GLN 121 HA GLN 121 16.590 -0.893 -1.727 885 1HB GLN 121 1HB GLN 121 18.410 1.099 -0.664 886 2HB GLN 121 2HB GLN 121 19.165 -0.489 -0.690 887 1HG GLN 121 1HG GLN 121 17.717 0.250 -3.136 888 2HG GLN 121 2HG GLN 121 19.140 1.226 -2.770 889 2HE2 GLN 121 2HE2 GLN 121 20.924 0.515 -3.666 890 1HE2 GLN 121 1HE2 GLN 121 21.307 -1.130 -4.026 891 H ALA 122 H ALA 122 16.701 -0.508 1.677 892 HA ALA 122 HA ALA 122 17.824 -3.150 2.157 893 1HB ALA 122 1HB ALA 122 18.603 -1.552 3.699 894 2HB ALA 122 2HB ALA 122 17.401 -2.492 4.585 895 3HB ALA 122 3HB ALA 122 16.987 -0.894 3.961 896 H TRP 123 H TRP 123 14.772 -1.589 1.829 897 HA TRP 123 HA TRP 123 13.175 -3.303 3.408 898 1HB TRP 123 1HB TRP 123 12.678 -1.413 1.167 899 2HB TRP 123 2HB TRP 123 11.426 -2.600 1.510 900 HD1 TRP 123 HD1 TRP 123 11.717 0.766 2.125 901 HE1 TRP 123 HE1 TRP 123 10.834 1.520 4.423 902 HE3 TRP 123 HE3 TRP 123 11.680 -3.726 4.536 903 HZ2 TRP 123 HZ2 TRP 123 10.216 0.331 6.897 904 HZ3 TRP 123 HZ3 TRP 123 10.931 -3.840 6.857 905 HH2 TRP 123 HH2 TRP 123 10.207 -1.830 8.026 906 H ILE 124 H ILE 124 14.830 -3.828 0.478 907 HA ILE 124 HA ILE 124 13.382 -6.368 0.099 908 HB ILE 124 HB ILE 124 14.054 -6.197 -2.330 909 1HG1 ILE 124 1HG1 ILE 124 14.069 -3.330 -2.440 910 2HG1 ILE 124 2HG1 ILE 124 15.361 -3.870 -1.372 911 1HG2 ILE 124 1HG2 ILE 124 12.105 -4.171 -1.243 912 2HG2 ILE 124 2HG2 ILE 124 12.161 -4.739 -2.912 913 3HG2 ILE 124 3HG2 ILE 124 11.766 -5.862 -1.612 914 1HD1 ILE 124 1HD1 ILE 124 14.937 -4.813 -4.197 915 2HD1 ILE 124 2HD1 ILE 124 16.109 -3.599 -3.683 916 3HD1 ILE 124 3HD1 ILE 124 16.264 -5.267 -3.128 917 H ARG 125 H ARG 125 16.039 -5.244 1.345 918 HA ARG 125 HA ARG 125 18.159 -6.523 -0.020 919 1HB ARG 125 1HB ARG 125 18.290 -4.692 1.769 920 2HB ARG 125 2HB ARG 125 18.112 -5.988 2.943 921 1HG ARG 125 1HG ARG 125 20.263 -6.490 2.803 922 2HG ARG 125 2HG ARG 125 20.163 -6.649 1.048 923 1HD ARG 125 1HD ARG 125 20.408 -4.213 0.831 924 2HD ARG 125 2HD ARG 125 20.545 -4.081 2.584 925 HE ARG 125 HE ARG 125 22.588 -5.517 2.322 926 1HH1 ARG 125 1HH1 ARG 125 21.440 -3.482 -0.262 927 2HH1 ARG 125 2HH1 ARG 125 23.002 -3.309 -0.993 928 1HH2 ARG 125 1HH2 ARG 125 24.648 -5.295 1.368 929 2HH2 ARG 125 2HH2 ARG 125 24.825 -4.340 -0.066 930 H GLY 126 H GLY 126 17.625 -8.641 -0.510 931 1HA GLY 126 1HA GLY 126 17.371 -10.448 1.817 932 2HA GLY 126 2HA GLY 126 18.375 -10.828 0.427 933 H CYS 127 H CYS 127 15.648 -9.261 -0.646 934 HA CYS 127 HA CYS 127 13.679 -11.221 -0.566 935 1HB CYS 127 1HB CYS 127 14.175 -8.813 -2.121 936 2HB CYS 127 2HB CYS 127 13.013 -9.933 -2.798 937 H ARG 128 H ARG 128 12.764 -11.891 -2.945 938 HA ARG 128 HA ARG 128 14.972 -13.285 -4.308 939 1HB ARG 128 1HB ARG 128 12.229 -14.426 -3.741 940 2HB ARG 128 2HB ARG 128 13.534 -15.240 -4.592 941 1HG ARG 128 1HG ARG 128 14.896 -15.017 -2.485 942 2HG ARG 128 2HG ARG 128 13.412 -14.495 -1.685 943 1HD ARG 128 1HD ARG 128 13.081 -16.931 -3.252 944 2HD ARG 128 2HD ARG 128 14.272 -17.094 -1.962 945 HE ARG 128 HE ARG 128 12.312 -16.043 -0.582 946 1HH1 ARG 128 1HH1 ARG 128 12.109 -18.444 -3.098 947 2HH1 ARG 128 2HH1 ARG 128 10.688 -19.192 -2.448 948 1HH2 ARG 128 1HH2 ARG 128 10.442 -17.023 0.282 949 2HH2 ARG 128 2HH2 ARG 128 9.741 -18.383 -0.527 950 H LEU 129 H LEU 129 14.845 -11.430 -5.765 951 HA LEU 129 HA LEU 129 12.999 -11.974 -7.940 952 1HB LEU 129 1HB LEU 129 12.410 -9.541 -8.129 953 2HB LEU 129 2HB LEU 129 11.687 -10.383 -6.771 954 HG LEU 129 HG LEU 129 14.099 -9.289 -5.812 955 1HD1 LEU 129 1HD1 LEU 129 13.438 -7.837 -8.032 956 2HD1 LEU 129 2HD1 LEU 129 12.639 -6.938 -6.742 957 3HD1 LEU 129 3HD1 LEU 129 14.375 -7.241 -6.661 958 1HD2 LEU 129 1HD2 LEU 129 11.197 -8.996 -5.380 959 2HD2 LEU 129 2HD2 LEU 129 12.491 -9.323 -4.228 960 3HD2 LEU 129 3HD2 LEU 129 12.208 -7.676 -4.791 No H/Q in entry = 960 Start of MODEL 37 1 H1 LYS 1 H1 LYS 1 -7.118 -8.758 -0.692 2 H2 LYS 1 H2 LYS 1 -7.986 -10.109 -0.164 3 H3 LYS 1 H3 LYS 1 -7.570 -8.889 0.933 4 HA LYS 1 HA LYS 1 -6.074 -10.624 1.348 5 1HB LYS 1 1HB LYS 1 -4.656 -11.302 -0.807 6 2HB LYS 1 2HB LYS 1 -6.165 -12.103 -0.393 7 1HG LYS 1 1HG LYS 1 -6.464 -9.719 -2.074 8 2HG LYS 1 2HG LYS 1 -5.586 -11.055 -2.821 9 1HD LYS 1 1HD LYS 1 -7.422 -12.557 -2.419 10 2HD LYS 1 2HD LYS 1 -8.278 -11.325 -1.489 11 1HE LYS 1 1HE LYS 1 -7.728 -11.387 -4.443 12 2HE LYS 1 2HE LYS 1 -9.288 -11.351 -3.624 13 1HZ LYS 1 1HZ LYS 1 -8.131 -9.102 -2.722 14 2HZ LYS 1 2HZ LYS 1 -7.507 -9.179 -4.291 15 3HZ LYS 1 3HZ LYS 1 -9.181 -9.171 -4.048 16 H VAL 2 H VAL 2 -3.920 -10.262 1.866 17 HA VAL 2 HA VAL 2 -2.834 -7.688 0.928 18 HB VAL 2 HB VAL 2 -2.402 -9.103 3.563 19 1HG1 VAL 2 1HG1 VAL 2 -0.508 -7.622 2.329 20 2HG1 VAL 2 2HG1 VAL 2 -1.391 -6.361 3.188 21 3HG1 VAL 2 3HG1 VAL 2 -0.695 -7.714 4.081 22 1HG2 VAL 2 1HG2 VAL 2 -4.431 -7.390 2.756 23 2HG2 VAL 2 2HG2 VAL 2 -3.998 -7.807 4.414 24 3HG2 VAL 2 3HG2 VAL 2 -3.319 -6.364 3.662 25 H PHE 3 H PHE 3 -1.016 -7.762 -0.271 26 HA PHE 3 HA PHE 3 0.373 -10.240 -0.680 27 1HB PHE 3 1HB PHE 3 1.124 -7.426 -1.514 28 2HB PHE 3 2HB PHE 3 1.910 -8.894 -2.071 29 HD1 PHE 3 HD1 PHE 3 -1.231 -10.047 -2.008 30 HD2 PHE 3 HD2 PHE 3 1.034 -7.061 -4.017 31 HE1 PHE 3 HE1 PHE 3 -2.788 -10.145 -3.908 32 HE2 PHE 3 HE2 PHE 3 -0.513 -7.153 -5.916 33 HZ PHE 3 HZ PHE 3 -2.427 -8.697 -5.870 34 H GLY 4 H GLY 4 2.953 -9.894 -0.680 35 1HA GLY 4 1HA GLY 4 4.542 -10.305 1.057 36 2HA GLY 4 2HA GLY 4 3.611 -9.245 2.110 37 H ARG 5 H ARG 5 6.465 -9.124 1.495 38 HA ARG 5 HA ARG 5 6.531 -6.336 0.653 39 1HB ARG 5 1HB ARG 5 8.736 -8.076 1.778 40 2HB ARG 5 2HB ARG 5 8.840 -6.345 1.491 41 1HG ARG 5 1HG ARG 5 6.679 -6.402 3.076 42 2HG ARG 5 2HG ARG 5 7.526 -7.831 3.671 43 1HD ARG 5 1HD ARG 5 9.307 -6.620 4.452 44 2HD ARG 5 2HD ARG 5 9.085 -5.330 3.272 45 HE ARG 5 HE ARG 5 7.161 -4.606 4.636 46 1HH1 ARG 5 1HH1 ARG 5 9.596 -6.635 6.082 47 2HH1 ARG 5 2HH1 ARG 5 9.262 -6.107 7.696 48 1HH2 ARG 5 1HH2 ARG 5 6.714 -3.904 6.759 49 2HH2 ARG 5 2HH2 ARG 5 7.623 -4.554 8.081 50 H CYS 6 H CYS 6 8.340 -9.317 -0.121 51 HA CYS 6 HA CYS 6 9.357 -8.084 -2.519 52 1HB CYS 6 1HB CYS 6 9.647 -10.874 -1.416 53 2HB CYS 6 2HB CYS 6 10.383 -10.318 -2.917 54 H GLU 7 H GLU 7 6.923 -10.510 -1.684 55 HA GLU 7 HA GLU 7 6.353 -11.609 -4.128 56 1HB GLU 7 1HB GLU 7 5.166 -11.956 -1.857 57 2HB GLU 7 2HB GLU 7 4.137 -10.617 -2.343 58 1HG GLU 7 1HG GLU 7 3.510 -11.873 -4.370 59 2HG GLU 7 2HG GLU 7 4.479 -13.230 -3.796 60 H LEU 8 H LEU 8 4.996 -8.596 -2.839 61 HA LEU 8 HA LEU 8 3.733 -7.846 -5.255 62 1HB LEU 8 1HB LEU 8 2.919 -6.786 -3.311 63 2HB LEU 8 2HB LEU 8 4.526 -6.304 -2.799 64 HG LEU 8 HG LEU 8 4.586 -4.795 -4.845 65 1HD1 LEU 8 1HD1 LEU 8 1.647 -5.451 -4.840 66 2HD1 LEU 8 2HD1 LEU 8 2.383 -4.118 -5.729 67 3HD1 LEU 8 3HD1 LEU 8 2.807 -5.784 -6.126 68 1HD2 LEU 8 1HD2 LEU 8 3.087 -4.448 -2.355 69 2HD2 LEU 8 2HD2 LEU 8 4.331 -3.434 -3.086 70 3HD2 LEU 8 3HD2 LEU 8 2.659 -3.311 -3.633 71 H ALA 9 H ALA 9 6.969 -7.261 -3.896 72 HA ALA 9 HA ALA 9 7.781 -5.275 -5.704 73 1HB ALA 9 1HB ALA 9 9.213 -5.515 -3.925 74 2HB ALA 9 2HB ALA 9 10.117 -6.291 -5.224 75 3HB ALA 9 3HB ALA 9 9.246 -7.274 -4.048 76 H ALA 10 H ALA 10 8.306 -8.812 -5.890 77 HA ALA 10 HA ALA 10 9.603 -8.918 -8.316 78 1HB ALA 10 1HB ALA 10 7.930 -11.125 -8.375 79 2HB ALA 10 2HB ALA 10 9.533 -11.051 -7.644 80 3HB ALA 10 3HB ALA 10 8.099 -10.771 -6.656 81 H ALA 11 H ALA 11 6.168 -8.645 -7.582 82 HA ALA 11 HA ALA 11 5.252 -8.860 -10.234 83 1HB ALA 11 1HB ALA 11 3.879 -7.317 -8.065 84 2HB ALA 11 2HB ALA 11 3.855 -9.078 -8.147 85 3HB ALA 11 3HB ALA 11 3.145 -8.125 -9.450 86 H MET 12 H MET 12 6.288 -6.228 -8.295 87 HA MET 12 HA MET 12 5.563 -4.071 -9.931 88 1HB MET 12 1HB MET 12 8.128 -4.123 -8.364 89 2HB MET 12 2HB MET 12 7.115 -2.745 -8.721 90 1HG MET 12 1HG MET 12 6.438 -4.994 -6.859 91 2HG MET 12 2HG MET 12 6.938 -3.371 -6.399 92 1HE MET 12 1HE MET 12 5.828 -1.544 -8.126 93 2HE MET 12 2HE MET 12 4.081 -1.304 -8.098 94 3HE MET 12 3HE MET 12 5.019 -1.127 -6.616 95 H LYS 13 H LYS 13 8.624 -5.863 -9.762 96 HA LYS 13 HA LYS 13 10.040 -4.564 -11.742 97 1HB LYS 13 1HB LYS 13 10.782 -6.471 -10.179 98 2HB LYS 13 2HB LYS 13 10.142 -7.555 -11.406 99 1HG LYS 13 1HG LYS 13 11.694 -6.732 -13.033 100 2HG LYS 13 2HG LYS 13 12.249 -5.472 -11.929 101 1HD LYS 13 1HD LYS 13 12.427 -8.168 -10.816 102 2HD LYS 13 2HD LYS 13 13.415 -7.932 -12.258 103 1HE LYS 13 1HE LYS 13 13.472 -5.878 -10.095 104 2HE LYS 13 2HE LYS 13 14.363 -7.382 -9.875 105 1HZ LYS 13 1HZ LYS 13 14.780 -6.148 -12.443 106 2HZ LYS 13 2HZ LYS 13 15.300 -5.195 -11.146 107 3HZ LYS 13 3HZ LYS 13 15.908 -6.762 -11.342 108 H ARG 14 H ARG 14 7.829 -7.317 -12.067 109 HA ARG 14 HA ARG 14 8.071 -7.596 -14.854 110 1HB ARG 14 1HB ARG 14 6.820 -9.009 -12.902 111 2HB ARG 14 2HB ARG 14 5.442 -8.222 -13.659 112 1HG ARG 14 1HG ARG 14 7.341 -9.444 -15.530 113 2HG ARG 14 2HG ARG 14 6.508 -10.575 -14.462 114 1HD ARG 14 1HD ARG 14 4.498 -8.878 -15.278 115 2HD ARG 14 2HD ARG 14 5.495 -9.041 -16.723 116 HE ARG 14 HE ARG 14 3.981 -11.145 -15.392 117 1HH1 ARG 14 1HH1 ARG 14 6.256 -10.237 -17.870 118 2HH1 ARG 14 2HH1 ARG 14 6.040 -11.693 -18.783 119 1HH2 ARG 14 1HH2 ARG 14 3.690 -13.065 -16.587 120 2HH2 ARG 14 2HH2 ARG 14 4.580 -13.300 -18.054 121 H HIS 15 H HIS 15 5.894 -5.666 -12.823 122 HA HIS 15 HA HIS 15 4.345 -4.719 -15.008 123 1HB HIS 15 1HB HIS 15 4.507 -4.216 -12.086 124 2HB HIS 15 2HB HIS 15 3.759 -2.965 -13.075 125 HD1 HIS 15 HD1 HIS 15 2.500 -5.201 -10.969 126 HD2 HIS 15 HD2 HIS 15 2.044 -4.917 -15.090 127 HE1 HIS 15 HE1 HIS 15 0.362 -6.415 -11.493 128 HE2 HIS 15 HE2 HIS 15 0.152 -6.305 -14.002 129 H GLY 16 H GLY 16 7.504 -3.949 -14.142 130 1HA GLY 16 1HA GLY 16 7.439 -1.689 -15.875 131 2HA GLY 16 2HA GLY 16 8.847 -2.386 -15.102 132 H LEU 17 H LEU 17 7.425 -1.961 -12.346 133 HA LEU 17 HA LEU 17 7.484 0.940 -12.308 134 1HB LEU 17 1HB LEU 17 7.144 -0.735 -9.860 135 2HB LEU 17 2HB LEU 17 6.551 0.881 -10.172 136 HG LEU 17 HG LEU 17 5.342 -1.732 -10.776 137 1HD1 LEU 17 1HD1 LEU 17 4.709 0.441 -9.264 138 2HD1 LEU 17 2HD1 LEU 17 3.727 0.714 -10.703 139 3HD1 LEU 17 3HD1 LEU 17 3.560 -0.788 -9.793 140 1HD2 LEU 17 1HD2 LEU 17 5.388 0.493 -12.779 141 2HD2 LEU 17 2HD2 LEU 17 5.464 -1.250 -13.038 142 3HD2 LEU 17 3HD2 LEU 17 3.936 -0.491 -12.594 143 H ASP 18 H ASP 18 9.682 -1.444 -12.090 144 HA ASP 18 HA ASP 18 11.317 -0.449 -9.973 145 1HB ASP 18 1HB ASP 18 11.821 -2.653 -10.355 146 2HB ASP 18 2HB ASP 18 11.634 -2.514 -12.094 147 H ASN 19 H ASN 19 11.728 1.655 -10.217 148 HA ASN 19 HA ASN 19 12.839 3.527 -10.831 149 1HB ASN 19 1HB ASN 19 14.689 1.655 -11.190 150 2HB ASN 19 2HB ASN 19 14.466 2.085 -12.883 151 2HD2 ASN 19 2HD2 ASN 19 16.001 3.405 -13.512 152 1HD2 ASN 19 1HD2 ASN 19 16.645 4.729 -12.607 153 H TYR 20 H TYR 20 10.455 2.784 -12.101 154 HA TYR 20 HA TYR 20 10.591 3.362 -14.896 155 1HB TYR 20 1HB TYR 20 8.659 2.179 -13.873 156 2HB TYR 20 2HB TYR 20 8.261 3.634 -12.966 157 HD1 TYR 20 HD1 TYR 20 8.721 2.448 -16.476 158 HD2 TYR 20 HD2 TYR 20 6.722 5.126 -13.844 159 HE1 TYR 20 HE1 TYR 20 7.310 3.217 -18.339 160 HE2 TYR 20 HE2 TYR 20 5.305 5.902 -15.697 161 HH TYR 20 HH TYR 20 5.704 5.920 -18.436 162 H ARG 21 H ARG 21 9.515 5.425 -15.773 163 HA ARG 21 HA ARG 21 10.822 7.644 -15.510 164 1HB ARG 21 1HB ARG 21 8.389 7.158 -16.548 165 2HB ARG 21 2HB ARG 21 7.923 8.191 -15.203 166 1HG ARG 21 1HG ARG 21 9.236 9.991 -16.015 167 2HG ARG 21 2HG ARG 21 10.018 8.961 -17.215 168 1HD ARG 21 1HD ARG 21 7.082 9.647 -17.158 169 2HD ARG 21 2HD ARG 21 8.283 10.418 -18.191 170 HE ARG 21 HE ARG 21 7.677 7.538 -18.358 171 1HH1 ARG 21 1HH1 ARG 21 8.193 10.649 -19.839 172 2HH1 ARG 21 2HH1 ARG 21 8.083 10.042 -21.457 173 1HH2 ARG 21 1HH2 ARG 21 7.532 6.728 -20.484 174 2HH2 ARG 21 2HH2 ARG 21 7.707 7.814 -21.824 175 H GLY 22 H GLY 22 8.549 6.546 -13.085 176 1HA GLY 22 1HA GLY 22 8.008 7.380 -10.996 177 2HA GLY 22 2HA GLY 22 8.907 8.840 -11.378 178 H TYR 23 H TYR 23 8.985 5.753 -9.847 179 HA TYR 23 HA TYR 23 11.807 6.186 -9.149 180 1HB TYR 23 1HB TYR 23 9.495 5.751 -7.291 181 2HB TYR 23 2HB TYR 23 11.147 5.404 -6.798 182 HD1 TYR 23 HD1 TYR 23 8.947 8.107 -8.078 183 HD2 TYR 23 HD2 TYR 23 12.547 7.134 -6.033 184 HE1 TYR 23 HE1 TYR 23 9.249 10.477 -7.501 185 HE2 TYR 23 HE2 TYR 23 12.861 9.501 -5.449 186 HH TYR 23 HH TYR 23 11.037 12.006 -6.874 187 H SER 24 H SER 24 12.553 4.326 -7.619 188 HA SER 24 HA SER 24 12.452 1.951 -9.242 189 1HB SER 24 1HB SER 24 14.331 1.194 -7.972 190 2HB SER 24 2HB SER 24 14.574 2.910 -8.299 191 HG SER 24 HG SER 24 13.875 1.638 -5.890 192 H LEU 25 H LEU 25 12.492 -0.177 -8.114 193 HA LEU 25 HA LEU 25 10.083 -0.938 -7.176 194 1HB LEU 25 1HB LEU 25 12.785 -2.028 -7.163 195 2HB LEU 25 2HB LEU 25 11.780 -2.672 -5.878 196 HG LEU 25 HG LEU 25 10.659 -2.609 -8.626 197 1HD1 LEU 25 1HD1 LEU 25 12.736 -4.575 -7.676 198 2HD1 LEU 25 2HD1 LEU 25 11.708 -4.803 -9.091 199 3HD1 LEU 25 3HD1 LEU 25 12.864 -3.473 -9.046 200 1HD2 LEU 25 1HD2 LEU 25 9.391 -3.344 -6.606 201 2HD2 LEU 25 2HD2 LEU 25 9.508 -4.565 -7.873 202 3HD2 LEU 25 3HD2 LEU 25 10.531 -4.679 -6.441 203 H GLY 26 H GLY 26 12.888 -0.453 -5.004 204 1HA GLY 26 1HA GLY 26 12.971 0.362 -2.850 205 2HA GLY 26 2HA GLY 26 11.762 -0.880 -2.584 206 H ASN 27 H ASN 27 11.363 2.081 -4.474 207 HA ASN 27 HA ASN 27 10.061 3.544 -2.424 208 1HB ASN 27 1HB ASN 27 9.702 3.985 -5.384 209 2HB ASN 27 2HB ASN 27 9.562 5.169 -4.087 210 2HD2 ASN 27 2HD2 ASN 27 11.459 5.867 -3.023 211 1HD2 ASN 27 1HD2 ASN 27 13.000 5.756 -3.796 212 H TRP 28 H TRP 28 8.914 1.329 -4.880 213 HA TRP 28 HA TRP 28 6.139 1.939 -4.558 214 1HB TRP 28 1HB TRP 28 7.521 -0.453 -5.771 215 2HB TRP 28 2HB TRP 28 5.784 -0.142 -5.857 216 HD1 TRP 28 HD1 TRP 28 9.041 0.804 -7.434 217 HE1 TRP 28 HE1 TRP 28 8.643 2.524 -9.294 218 HE3 TRP 28 HE3 TRP 28 4.125 1.811 -6.540 219 HZ2 TRP 28 HZ2 TRP 28 6.498 4.086 -10.293 220 HZ3 TRP 28 HZ3 TRP 28 2.951 3.412 -7.988 221 HH2 TRP 28 HH2 TRP 28 4.118 4.531 -9.831 222 H VAL 29 H VAL 29 8.323 -0.523 -3.220 223 HA VAL 29 HA VAL 29 6.305 -1.974 -1.884 224 HB VAL 29 HB VAL 29 9.252 -1.775 -1.250 225 1HG1 VAL 29 1HG1 VAL 29 7.175 -3.798 -0.435 226 2HG1 VAL 29 2HG1 VAL 29 8.913 -4.022 -0.236 227 3HG1 VAL 29 3HG1 VAL 29 8.089 -2.717 0.617 228 1HG2 VAL 29 1HG2 VAL 29 7.869 -2.943 -3.469 229 2HG2 VAL 29 2HG2 VAL 29 9.602 -2.862 -3.152 230 3HG2 VAL 29 3HG2 VAL 29 8.651 -4.208 -2.521 231 H CYS 30 H CYS 30 8.617 0.472 -0.792 232 HA CYS 30 HA CYS 30 7.834 0.569 1.878 233 1HB CYS 30 1HB CYS 30 9.853 1.640 0.690 234 2HB CYS 30 2HB CYS 30 8.767 2.980 0.340 235 H ALA 31 H ALA 31 6.726 2.537 -0.881 236 HA ALA 31 HA ALA 31 4.930 4.138 0.572 237 1HB ALA 31 1HB ALA 31 5.314 3.487 -2.306 238 2HB ALA 31 2HB ALA 31 3.838 4.315 -1.810 239 3HB ALA 31 3HB ALA 31 5.412 5.039 -1.476 240 H ALA 32 H ALA 32 4.408 1.140 -1.260 241 HA ALA 32 HA ALA 32 1.610 1.045 -0.815 242 1HB ALA 32 1HB ALA 32 3.185 -0.227 -2.522 243 2HB ALA 32 2HB ALA 32 3.116 -1.470 -1.273 244 3HB ALA 32 3HB ALA 32 1.628 -0.887 -2.019 245 H LYS 33 H LYS 33 4.342 -0.581 0.782 246 HA LYS 33 HA LYS 33 3.048 -2.245 2.505 247 1HB LYS 33 1HB LYS 33 5.489 -2.121 2.283 248 2HB LYS 33 2HB LYS 33 5.487 -0.569 3.108 249 1HG LYS 33 1HG LYS 33 4.130 -2.501 4.720 250 2HG LYS 33 2HG LYS 33 5.706 -3.128 4.237 251 1HD LYS 33 1HD LYS 33 6.740 -1.777 5.671 252 2HD LYS 33 2HD LYS 33 5.931 -0.365 4.990 253 1HE LYS 33 1HE LYS 33 4.476 -0.253 6.683 254 2HE LYS 33 2HE LYS 33 4.170 -1.989 6.642 255 1HZ LYS 33 1HZ LYS 33 6.587 -0.784 7.868 256 2HZ LYS 33 2HZ LYS 33 5.183 -1.153 8.739 257 3HZ LYS 33 3HZ LYS 33 6.063 -2.388 7.991 258 H PHE 34 H PHE 34 4.002 1.107 3.275 259 HA PHE 34 HA PHE 34 2.496 1.050 5.688 260 1HB PHE 34 1HB PHE 34 4.201 2.973 4.336 261 2HB PHE 34 2HB PHE 34 3.013 3.655 5.428 262 HD1 PHE 34 HD1 PHE 34 2.935 2.559 7.798 263 HD2 PHE 34 HD2 PHE 34 6.249 2.300 5.140 264 HE1 PHE 34 HE1 PHE 34 4.414 2.051 9.697 265 HE2 PHE 34 HE2 PHE 34 7.734 1.790 7.034 266 HZ PHE 34 HZ PHE 34 6.817 1.664 9.316 267 H GLU 35 H GLU 35 1.717 1.805 2.449 268 HA GLU 35 HA GLU 35 -0.335 3.673 2.882 269 1HB GLU 35 1HB GLU 35 0.811 2.195 0.711 270 2HB GLU 35 2HB GLU 35 -0.941 2.097 0.611 271 1HG GLU 35 1HG GLU 35 -1.181 4.399 0.379 272 2HG GLU 35 2HG GLU 35 0.432 4.724 1.016 273 H SER 36 H SER 36 -0.525 0.187 2.213 274 HA SER 36 HA SER 36 -3.120 0.128 3.621 275 1HB SER 36 1HB SER 36 -3.829 -1.573 1.881 276 2HB SER 36 2HB SER 36 -3.620 0.065 1.267 277 HG SER 36 HG SER 36 -1.902 -2.156 0.976 278 H ASN 37 H ASN 37 -0.158 -0.812 4.088 279 HA ASN 37 HA ASN 37 0.875 -2.560 5.150 280 1HB ASN 37 1HB ASN 37 -1.729 -2.412 6.254 281 2HB ASN 37 2HB ASN 37 -1.411 -4.120 5.965 282 2HD2 ASN 37 2HD2 ASN 37 -0.168 -5.191 7.353 283 1HD2 ASN 37 1HD2 ASN 37 0.732 -4.475 8.642 284 H PHE 38 H PHE 38 0.010 -2.644 2.395 285 HA PHE 38 HA PHE 38 0.255 -3.933 0.607 286 1HB PHE 38 1HB PHE 38 0.984 -5.964 2.694 287 2HB PHE 38 2HB PHE 38 0.851 -6.406 0.994 288 HD1 PHE 38 HD1 PHE 38 1.936 -4.161 -0.418 289 HD2 PHE 38 HD2 PHE 38 3.229 -5.903 3.242 290 HE1 PHE 38 HE1 PHE 38 4.202 -3.303 -0.822 291 HE2 PHE 38 HE2 PHE 38 5.500 -5.045 2.847 292 HZ PHE 38 HZ PHE 38 5.992 -3.752 0.811 293 H ASN 39 H ASN 39 -2.283 -3.549 2.113 294 HA ASN 39 HA ASN 39 -3.797 -5.929 1.393 295 1HB ASN 39 1HB ASN 39 -4.168 -4.503 3.521 296 2HB ASN 39 2HB ASN 39 -4.972 -3.365 2.444 297 2HD2 ASN 39 2HD2 ASN 39 -6.201 -4.710 4.587 298 1HD2 ASN 39 1HD2 ASN 39 -7.422 -5.747 3.939 299 H THR 40 H THR 40 -4.239 -6.121 -0.679 300 HA THR 40 HA THR 40 -4.422 -3.875 -2.445 301 HB THR 40 HB THR 40 -4.353 -5.396 -4.159 302 HG1 THR 40 HG1 THR 40 -5.222 -7.682 -3.585 303 1HG2 THR 40 1HG2 THR 40 -2.771 -6.038 -2.004 304 2HG2 THR 40 2HG2 THR 40 -3.500 -7.584 -2.443 305 3HG2 THR 40 3HG2 THR 40 -2.589 -6.666 -3.642 306 H GLN 41 H GLN 41 -6.544 -5.461 -0.399 307 HA GLN 41 HA GLN 41 -8.894 -4.595 -1.932 308 1HB GLN 41 1HB GLN 41 -8.307 -6.888 -0.159 309 2HB GLN 41 2HB GLN 41 -9.917 -6.213 -0.052 310 1HG GLN 41 1HG GLN 41 -9.712 -6.403 -2.710 311 2HG GLN 41 2HG GLN 41 -8.625 -7.708 -2.238 312 2HE2 GLN 41 2HE2 GLN 41 -11.750 -6.448 -1.110 313 1HE2 GLN 41 1HE2 GLN 41 -12.549 -7.980 -1.082 314 H ALA 42 H ALA 42 -7.009 -3.449 0.468 315 HA ALA 42 HA ALA 42 -9.004 -2.758 2.409 316 1HB ALA 42 1HB ALA 42 -7.089 -1.209 3.213 317 2HB ALA 42 2HB ALA 42 -6.112 -2.110 2.052 318 3HB ALA 42 3HB ALA 42 -6.921 -2.958 3.371 319 H THR 43 H THR 43 -9.759 -0.731 2.922 320 HA THR 43 HA THR 43 -9.614 1.304 0.792 321 HB THR 43 HB THR 43 -11.880 1.687 0.835 322 HG1 THR 43 HG1 THR 43 -13.028 0.661 2.870 323 1HG2 THR 43 1HG2 THR 43 -11.435 -0.692 0.164 324 2HG2 THR 43 2HG2 THR 43 -11.889 -1.173 1.798 325 3HG2 THR 43 3HG2 THR 43 -13.071 -0.388 0.750 326 H ASN 44 H ASN 44 -9.236 3.402 1.475 327 HA ASN 44 HA ASN 44 -9.340 3.922 4.365 328 1HB ASN 44 1HB ASN 44 -6.991 3.382 3.541 329 2HB ASN 44 2HB ASN 44 -7.069 4.886 2.629 330 2HD2 ASN 44 2HD2 ASN 44 -6.977 3.458 5.804 331 1HD2 ASN 44 1HD2 ASN 44 -6.541 4.897 6.655 332 H ARG 45 H ARG 45 -11.052 5.290 4.352 333 HA ARG 45 HA ARG 45 -11.525 7.245 2.354 334 1HB ARG 45 1HB ARG 45 -13.154 8.162 4.083 335 2HB ARG 45 2HB ARG 45 -13.415 6.507 3.550 336 1HG ARG 45 1HG ARG 45 -12.207 5.738 5.592 337 2HG ARG 45 2HG ARG 45 -12.180 7.416 6.138 338 1HD ARG 45 1HD ARG 45 -14.813 7.054 5.483 339 2HD ARG 45 2HD ARG 45 -14.367 5.474 6.124 340 HE ARG 45 HE ARG 45 -13.386 7.255 7.946 341 1HH1 ARG 45 1HH1 ARG 45 -16.519 6.626 6.556 342 2HH1 ARG 45 2HH1 ARG 45 -17.388 7.144 7.961 343 1HH2 ARG 45 1HH2 ARG 45 -14.523 7.940 9.799 344 2HH2 ARG 45 2HH2 ARG 45 -16.255 7.892 9.804 345 H ASN 46 H ASN 46 -10.619 9.167 2.071 346 HA ASN 46 HA ASN 46 -8.861 10.246 4.126 347 1HB ASN 46 1HB ASN 46 -9.343 11.465 1.418 348 2HB ASN 46 2HB ASN 46 -7.915 11.589 2.441 349 2HD2 ASN 46 2HD2 ASN 46 -8.769 10.450 -0.361 350 1HD2 ASN 46 1HD2 ASN 46 -7.857 8.986 -0.445 351 H THR 47 H THR 47 -8.875 12.802 4.068 352 HA THR 47 HA THR 47 -11.560 13.557 4.943 353 HB THR 47 HB THR 47 -10.432 15.546 5.936 354 HG1 THR 47 HG1 THR 47 -8.312 14.483 4.514 355 1HG2 THR 47 1HG2 THR 47 -10.740 13.257 7.078 356 2HG2 THR 47 2HG2 THR 47 -9.003 13.064 6.837 357 3HG2 THR 47 3HG2 THR 47 -9.615 14.404 7.806 358 H ASP 48 H ASP 48 -10.103 13.615 2.086 359 HA ASP 48 HA ASP 48 -10.815 16.368 1.387 360 1HB ASP 48 1HB ASP 48 -9.541 16.101 -0.590 361 2HB ASP 48 2HB ASP 48 -8.605 15.330 0.685 362 H GLY 49 H GLY 49 -12.295 13.451 1.558 363 1HA GLY 49 1HA GLY 49 -14.310 14.271 -0.413 364 2HA GLY 49 2HA GLY 49 -14.561 13.135 0.904 365 H SER 50 H SER 50 -12.705 11.276 0.628 366 HA SER 50 HA SER 50 -13.609 9.768 -1.604 367 1HB SER 50 1HB SER 50 -11.069 9.525 -2.411 368 2HB SER 50 2HB SER 50 -12.160 10.731 -3.092 369 HG SER 50 HG SER 50 -11.276 12.255 -1.669 370 H THR 51 H THR 51 -11.672 7.909 -1.900 371 HA THR 51 HA THR 51 -10.814 7.017 0.736 372 HB THR 51 HB THR 51 -12.456 5.135 -0.939 373 HG1 THR 51 HG1 THR 51 -14.062 6.445 -0.411 374 1HG2 THR 51 1HG2 THR 51 -10.840 4.502 1.038 375 2HG2 THR 51 2HG2 THR 51 -12.196 5.036 2.030 376 3HG2 THR 51 3HG2 THR 51 -12.413 3.722 0.874 377 H ASP 52 H ASP 52 -9.495 5.018 0.608 378 HA ASP 52 HA ASP 52 -7.999 4.926 -1.929 379 1HB ASP 52 1HB ASP 52 -7.094 4.341 0.897 380 2HB ASP 52 2HB ASP 52 -6.097 4.111 -0.537 381 H TYR 53 H TYR 53 -9.253 3.350 -2.924 382 HA TYR 53 HA TYR 53 -9.551 0.793 -1.559 383 1HB TYR 53 1HB TYR 53 -10.512 1.555 -4.319 384 2HB TYR 53 2HB TYR 53 -10.997 0.154 -3.375 385 HD1 TYR 53 HD1 TYR 53 -12.329 0.533 -1.256 386 HD2 TYR 53 HD2 TYR 53 -11.656 3.597 -4.127 387 HE1 TYR 53 HE1 TYR 53 -14.238 1.791 -0.351 388 HE2 TYR 53 HE2 TYR 53 -13.564 4.863 -3.234 389 HH TYR 53 HH TYR 53 -15.361 4.772 -1.873 390 H GLY 54 H GLY 54 -7.138 0.380 -1.626 391 1HA GLY 54 1HA GLY 54 -5.931 0.008 -4.185 392 2HA GLY 54 2HA GLY 54 -6.484 -1.516 -3.511 393 H ILE 55 H ILE 55 -4.181 -2.072 -3.613 394 HA ILE 55 HA ILE 55 -2.938 -1.800 -1.068 395 HB ILE 55 HB ILE 55 -2.579 -3.753 -2.631 396 1HG1 ILE 55 1HG1 ILE 55 0.010 -2.386 -1.882 397 2HG1 ILE 55 2HG1 ILE 55 -1.055 -3.137 -0.700 398 1HG2 ILE 55 1HG2 ILE 55 -0.929 -1.722 -4.128 399 2HG2 ILE 55 2HG2 ILE 55 -0.831 -3.465 -4.382 400 3HG2 ILE 55 3HG2 ILE 55 -2.334 -2.607 -4.721 401 1HD1 ILE 55 1HD1 ILE 55 -0.658 -5.061 -2.685 402 2HD1 ILE 55 2HD1 ILE 55 0.921 -4.332 -2.392 403 3HD1 ILE 55 3HD1 ILE 55 0.014 -5.038 -1.054 404 H LEU 56 H LEU 56 -2.911 -0.062 -4.026 405 HA LEU 56 HA LEU 56 -0.722 1.667 -3.100 406 1HB LEU 56 1HB LEU 56 -1.302 0.561 -5.655 407 2HB LEU 56 2HB LEU 56 -1.574 2.287 -5.768 408 HG LEU 56 HG LEU 56 0.665 1.995 -6.432 409 1HD1 LEU 56 1HD1 LEU 56 0.240 3.726 -4.623 410 2HD1 LEU 56 2HD1 LEU 56 0.994 2.588 -3.507 411 3HD1 LEU 56 3HD1 LEU 56 1.912 3.223 -4.872 412 1HD2 LEU 56 1HD2 LEU 56 0.624 -0.386 -5.302 413 2HD2 LEU 56 2HD2 LEU 56 2.144 0.448 -5.631 414 3HD2 LEU 56 3HD2 LEU 56 1.460 0.467 -4.005 415 H GLN 57 H GLN 57 -3.865 1.417 -2.727 416 HA GLN 57 HA GLN 57 -5.489 2.843 -2.079 417 1HB GLN 57 1HB GLN 57 -3.470 5.026 -2.615 418 2HB GLN 57 2HB GLN 57 -4.988 5.218 -1.750 419 1HG GLN 57 1HG GLN 57 -4.069 3.419 -0.163 420 2HG GLN 57 2HG GLN 57 -2.508 3.777 -0.900 421 2HE2 GLN 57 2HE2 GLN 57 -2.505 6.423 -1.219 422 1HE2 GLN 57 1HE2 GLN 57 -2.657 7.236 0.299 423 H ILE 58 H ILE 58 -6.471 2.034 -4.183 424 HA ILE 58 HA ILE 58 -6.368 3.961 -6.343 425 HB ILE 58 HB ILE 58 -8.141 1.535 -6.244 426 1HG1 ILE 58 1HG1 ILE 58 -5.955 0.685 -5.718 427 2HG1 ILE 58 2HG1 ILE 58 -6.265 0.337 -7.415 428 1HG2 ILE 58 1HG2 ILE 58 -8.417 3.277 -8.026 429 2HG2 ILE 58 2HG2 ILE 58 -6.795 2.869 -8.583 430 3HG2 ILE 58 3HG2 ILE 58 -8.072 1.653 -8.619 431 1HD1 ILE 58 1HD1 ILE 58 -4.984 2.565 -7.819 432 2HD1 ILE 58 2HD1 ILE 58 -4.360 2.274 -6.195 433 3HD1 ILE 58 3HD1 ILE 58 -4.096 1.082 -7.468 434 H ASN 59 H ASN 59 -7.374 5.770 -5.558 435 HA ASN 59 HA ASN 59 -9.835 5.768 -4.188 436 1HB ASN 59 1HB ASN 59 -8.302 7.696 -4.171 437 2HB ASN 59 2HB ASN 59 -8.586 7.942 -5.892 438 2HD2 ASN 59 2HD2 ASN 59 -9.195 10.097 -5.161 439 1HD2 ASN 59 1HD2 ASN 59 -10.816 10.369 -4.626 440 H SER 60 H SER 60 -11.482 4.651 -5.143 441 HA SER 60 HA SER 60 -11.944 4.522 -7.910 442 1HB SER 60 1HB SER 60 -13.821 3.265 -7.390 443 2HB SER 60 2HB SER 60 -12.850 3.055 -5.934 444 HG SER 60 HG SER 60 -14.121 5.067 -5.261 445 H ARG 61 H ARG 61 -12.449 7.095 -5.764 446 HA ARG 61 HA ARG 61 -14.748 8.203 -7.120 447 1HB ARG 61 1HB ARG 61 -14.301 8.552 -4.682 448 2HB ARG 61 2HB ARG 61 -12.907 9.529 -5.122 449 1HG ARG 61 1HG ARG 61 -14.275 11.274 -5.084 450 2HG ARG 61 2HG ARG 61 -14.970 10.645 -6.580 451 1HD ARG 61 1HD ARG 61 -16.845 9.913 -5.556 452 2HD ARG 61 2HD ARG 61 -15.986 9.438 -4.091 453 HE ARG 61 HE ARG 61 -16.332 12.292 -4.560 454 1HH1 ARG 61 1HH1 ARG 61 -17.369 9.411 -2.896 455 2HH1 ARG 61 2HH1 ARG 61 -18.211 10.278 -1.654 456 1HH2 ARG 61 1HH2 ARG 61 -17.436 13.439 -2.929 457 2HH2 ARG 61 2HH2 ARG 61 -18.249 12.566 -1.673 458 H TRP 62 H TRP 62 -11.353 9.174 -6.713 459 HA TRP 62 HA TRP 62 -11.541 11.142 -8.812 460 1HB TRP 62 1HB TRP 62 -9.501 10.283 -6.853 461 2HB TRP 62 2HB TRP 62 -8.866 10.881 -8.383 462 HD1 TRP 62 HD1 TRP 62 -11.436 12.086 -5.721 463 HE1 TRP 62 HE1 TRP 62 -11.184 14.636 -5.485 464 HE3 TRP 62 HE3 TRP 62 -7.834 12.876 -9.263 465 HZ2 TRP 62 HZ2 TRP 62 -9.659 16.709 -6.647 466 HZ3 TRP 62 HZ3 TRP 62 -7.034 15.172 -9.639 467 HH2 TRP 62 HH2 TRP 62 -7.929 17.048 -8.358 468 H TRP 63 H TRP 63 -10.073 7.964 -8.389 469 HA TRP 63 HA TRP 63 -9.469 7.877 -11.264 470 1HB TRP 63 1HB TRP 63 -8.510 5.895 -9.197 471 2HB TRP 63 2HB TRP 63 -7.874 6.172 -10.814 472 HD1 TRP 63 HD1 TRP 63 -6.918 6.800 -7.402 473 HE1 TRP 63 HE1 TRP 63 -5.280 8.781 -7.221 474 HE3 TRP 63 HE3 TRP 63 -7.642 8.845 -12.003 475 HZ2 TRP 63 HZ2 TRP 63 -4.415 10.943 -8.841 476 HZ3 TRP 63 HZ3 TRP 63 -6.412 10.863 -12.622 477 HH2 TRP 63 HH2 TRP 63 -4.814 11.897 -11.075 478 H CYS 64 H CYS 64 -9.887 5.919 -12.404 479 HA CYS 64 HA CYS 64 -11.357 4.443 -13.272 480 1HB CYS 64 1HB CYS 64 -11.361 2.433 -12.156 481 2HB CYS 64 2HB CYS 64 -10.057 3.260 -11.315 482 H ASN 65 H ASN 65 -13.454 3.567 -13.408 483 HA ASN 65 HA ASN 65 -15.453 5.261 -12.074 484 1HB ASN 65 1HB ASN 65 -15.433 5.311 -14.547 485 2HB ASN 65 2HB ASN 65 -15.717 3.573 -14.575 486 2HD2 ASN 65 2HD2 ASN 65 -17.078 6.611 -13.395 487 1HD2 ASN 65 1HD2 ASN 65 -18.732 6.134 -13.546 488 H ASP 66 H ASP 66 -16.289 4.334 -10.325 489 HA ASP 66 HA ASP 66 -16.587 1.422 -10.246 490 1HB ASP 66 1HB ASP 66 -16.779 1.628 -7.859 491 2HB ASP 66 2HB ASP 66 -15.404 2.595 -8.382 492 H GLY 67 H GLY 67 -18.434 4.242 -10.714 493 1HA GLY 67 1HA GLY 67 -20.831 2.745 -11.053 494 2HA GLY 67 2HA GLY 67 -20.677 4.491 -11.153 495 H ARG 68 H ARG 68 -19.494 3.235 -8.228 496 HA ARG 68 HA ARG 68 -22.010 3.222 -6.829 497 1HB ARG 68 1HB ARG 68 -19.222 3.220 -5.663 498 2HB ARG 68 2HB ARG 68 -20.708 2.740 -4.854 499 1HG ARG 68 1HG ARG 68 -19.877 1.311 -7.333 500 2HG ARG 68 2HG ARG 68 -19.071 0.946 -5.806 501 1HD ARG 68 1HD ARG 68 -20.950 0.033 -4.874 502 2HD ARG 68 2HD ARG 68 -22.041 1.029 -5.836 503 HE ARG 68 HE ARG 68 -20.711 -0.735 -7.552 504 1HH1 ARG 68 1HH1 ARG 68 -23.055 -0.803 -4.975 505 2HH1 ARG 68 2HH1 ARG 68 -23.845 -2.230 -5.558 506 1HH2 ARG 68 1HH2 ARG 68 -21.744 -2.613 -8.327 507 2HH2 ARG 68 2HH2 ARG 68 -23.099 -3.259 -7.462 508 H THR 69 H THR 69 -20.172 5.648 -8.024 509 HA THR 69 HA THR 69 -21.326 7.573 -6.162 510 HB THR 69 HB THR 69 -18.480 8.052 -6.923 511 HG1 THR 69 HG1 THR 69 -19.373 6.278 -4.886 512 1HG2 THR 69 1HG2 THR 69 -20.459 9.073 -5.025 513 2HG2 THR 69 2HG2 THR 69 -18.870 8.798 -4.310 514 3HG2 THR 69 3HG2 THR 69 -19.036 9.858 -5.710 515 HA PRO 70 HA PRO 70 -22.107 9.493 -10.107 516 1HB PRO 70 1HB PRO 70 -23.124 11.832 -9.176 517 2HB PRO 70 2HB PRO 70 -24.037 10.319 -9.173 518 1HG PRO 70 1HG PRO 70 -22.545 11.634 -6.936 519 2HG PRO 70 2HG PRO 70 -24.142 10.863 -6.915 520 1HD PRO 70 1HD PRO 70 -21.916 9.617 -6.014 521 2HD PRO 70 2HD PRO 70 -23.255 8.739 -6.780 522 H GLY 71 H GLY 71 -19.781 10.373 -7.862 523 1HA GLY 71 1HA GLY 71 -18.280 12.207 -7.794 524 2HA GLY 71 2HA GLY 71 -18.911 12.748 -9.342 525 H SER 72 H SER 72 -18.472 9.496 -9.606 526 HA SER 72 HA SER 72 -15.759 9.049 -9.819 527 1HB SER 72 1HB SER 72 -18.039 7.603 -10.386 528 2HB SER 72 2HB SER 72 -17.282 7.772 -11.970 529 HG SER 72 HG SER 72 -15.496 6.737 -11.237 530 H ARG 73 H ARG 73 -14.440 10.492 -10.761 531 HA ARG 73 HA ARG 73 -15.083 11.943 -13.117 532 1HB ARG 73 1HB ARG 73 -12.723 11.652 -11.351 533 2HB ARG 73 2HB ARG 73 -12.402 12.182 -12.995 534 1HG ARG 73 1HG ARG 73 -14.457 13.809 -12.347 535 2HG ARG 73 2HG ARG 73 -13.696 13.593 -10.769 536 1HD ARG 73 1HD ARG 73 -12.221 15.149 -11.360 537 2HD ARG 73 2HD ARG 73 -11.583 14.003 -12.538 538 HE ARG 73 HE ARG 73 -13.549 15.073 -13.942 539 1HH1 ARG 73 1HH1 ARG 73 -11.211 16.617 -11.872 540 2HH1 ARG 73 2HH1 ARG 73 -11.207 18.100 -12.767 541 1HH2 ARG 73 1HH2 ARG 73 -13.550 17.022 -15.127 542 2HH2 ARG 73 2HH2 ARG 73 -12.536 18.330 -14.617 543 H ASN 74 H ASN 74 -13.164 9.049 -12.479 544 HA ASN 74 HA ASN 74 -12.470 7.348 -13.844 545 1HB ASN 74 1HB ASN 74 -14.801 7.876 -14.937 546 2HB ASN 74 2HB ASN 74 -13.829 8.591 -16.219 547 2HD2 ASN 74 2HD2 ASN 74 -13.060 5.781 -14.244 548 1HD2 ASN 74 1HD2 ASN 74 -13.047 4.643 -15.544 549 H LEU 75 H LEU 75 -10.918 9.601 -13.372 550 HA LEU 75 HA LEU 75 -9.701 10.815 -15.569 551 1HB LEU 75 1HB LEU 75 -9.120 10.221 -12.748 552 2HB LEU 75 2HB LEU 75 -7.723 10.558 -13.743 553 HG LEU 75 HG LEU 75 -10.138 12.374 -13.479 554 1HD1 LEU 75 1HD1 LEU 75 -8.608 11.912 -11.396 555 2HD1 LEU 75 2HD1 LEU 75 -7.518 13.025 -12.223 556 3HD1 LEU 75 3HD1 LEU 75 -9.146 13.545 -11.784 557 1HD2 LEU 75 1HD2 LEU 75 -7.896 12.366 -15.247 558 2HD2 LEU 75 2HD2 LEU 75 -9.240 13.505 -15.165 559 3HD2 LEU 75 3HD2 LEU 75 -7.793 13.777 -14.195 560 H CYS 76 H CYS 76 -9.039 7.984 -13.774 561 HA CYS 76 HA CYS 76 -6.739 7.173 -15.269 562 1HB CYS 76 1HB CYS 76 -7.713 6.804 -12.770 563 2HB CYS 76 2HB CYS 76 -8.115 5.270 -13.528 564 H ASN 77 H ASN 77 -10.151 6.542 -15.217 565 HA ASN 77 HA ASN 77 -11.537 5.220 -16.468 566 1HB ASN 77 1HB ASN 77 -10.173 6.715 -18.199 567 2HB ASN 77 2HB ASN 77 -9.542 5.146 -18.690 568 2HD2 ASN 77 2HD2 ASN 77 -11.577 3.476 -18.568 569 1HD2 ASN 77 1HD2 ASN 77 -12.878 3.973 -19.590 570 H ILE 78 H ILE 78 -10.374 3.729 -14.711 571 HA ILE 78 HA ILE 78 -9.451 1.363 -16.175 572 HB ILE 78 HB ILE 78 -7.716 0.994 -14.806 573 1HG1 ILE 78 1HG1 ILE 78 -9.673 1.688 -12.705 574 2HG1 ILE 78 2HG1 ILE 78 -8.493 0.385 -12.756 575 1HG2 ILE 78 1HG2 ILE 78 -7.443 3.297 -15.576 576 2HG2 ILE 78 2HG2 ILE 78 -8.225 3.876 -14.106 577 3HG2 ILE 78 3HG2 ILE 78 -6.677 3.036 -14.009 578 1HD1 ILE 78 1HD1 ILE 78 -6.745 2.138 -12.237 579 2HD1 ILE 78 2HD1 ILE 78 -8.088 3.227 -11.891 580 3HD1 ILE 78 3HD1 ILE 78 -7.886 1.750 -10.948 581 HA PRO 79 HA PRO 79 -12.638 -0.841 -14.009 582 1HB PRO 79 1HB PRO 79 -11.670 -3.352 -13.990 583 2HB PRO 79 2HB PRO 79 -12.171 -2.570 -15.494 584 1HG PRO 79 1HG PRO 79 -9.425 -2.984 -14.394 585 2HG PRO 79 2HG PRO 79 -9.993 -3.104 -16.068 586 1HD PRO 79 1HD PRO 79 -8.679 -0.919 -15.008 587 2HD PRO 79 2HD PRO 79 -9.734 -0.867 -16.434 588 H CYS 80 H CYS 80 -12.822 -0.270 -11.890 589 HA CYS 80 HA CYS 80 -10.758 -0.370 -10.010 590 1HB CYS 80 1HB CYS 80 -13.618 -0.536 -9.153 591 2HB CYS 80 2HB CYS 80 -12.303 0.421 -8.479 592 H SER 81 H SER 81 -13.635 -2.506 -10.161 593 HA SER 81 HA SER 81 -12.849 -4.273 -8.179 594 1HB SER 81 1HB SER 81 -14.421 -5.868 -9.184 595 2HB SER 81 2HB SER 81 -15.102 -4.241 -9.155 596 HG SER 81 HG SER 81 -15.271 -5.518 -11.186 597 H ALA 82 H ALA 82 -11.691 -4.054 -11.461 598 HA ALA 82 HA ALA 82 -10.639 -6.693 -11.643 599 1HB ALA 82 1HB ALA 82 -11.019 -5.540 -13.673 600 2HB ALA 82 2HB ALA 82 -9.271 -5.715 -13.520 601 3HB ALA 82 3HB ALA 82 -10.036 -4.168 -13.160 602 H LEU 83 H LEU 83 -9.727 -4.096 -9.783 603 HA LEU 83 HA LEU 83 -6.904 -4.904 -9.683 604 1HB LEU 83 1HB LEU 83 -6.351 -2.812 -8.945 605 2HB LEU 83 2HB LEU 83 -7.763 -2.431 -9.909 606 HG LEU 83 HG LEU 83 -8.908 -2.831 -7.475 607 1HD1 LEU 83 1HD1 LEU 83 -6.587 -3.109 -6.521 608 2HD1 LEU 83 2HD1 LEU 83 -6.331 -1.401 -6.878 609 3HD1 LEU 83 3HD1 LEU 83 -7.597 -1.886 -5.751 610 1HD2 LEU 83 1HD2 LEU 83 -7.751 -0.285 -8.602 611 2HD2 LEU 83 2HD2 LEU 83 -9.351 -0.955 -8.925 612 3HD2 LEU 83 3HD2 LEU 83 -8.951 -0.364 -7.312 613 H LEU 84 H LEU 84 -9.813 -5.409 -8.131 614 HA LEU 84 HA LEU 84 -8.515 -5.995 -5.563 615 1HB LEU 84 1HB LEU 84 -11.474 -5.977 -5.884 616 2HB LEU 84 2HB LEU 84 -10.497 -5.523 -4.500 617 HG LEU 84 HG LEU 84 -10.364 -3.842 -6.956 618 1HD1 LEU 84 1HD1 LEU 84 -12.795 -4.388 -5.606 619 2HD1 LEU 84 2HD1 LEU 84 -12.303 -2.742 -5.207 620 3HD1 LEU 84 3HD1 LEU 84 -12.485 -3.224 -6.893 621 1HD2 LEU 84 1HD2 LEU 84 -9.056 -3.688 -4.641 622 2HD2 LEU 84 2HD2 LEU 84 -9.506 -2.261 -5.575 623 3HD2 LEU 84 3HD2 LEU 84 -10.493 -2.764 -4.201 624 H SER 85 H SER 85 -8.147 -7.759 -7.692 625 HA SER 85 HA SER 85 -9.638 -10.090 -6.712 626 1HB SER 85 1HB SER 85 -9.105 -10.927 -9.205 627 2HB SER 85 2HB SER 85 -10.582 -10.047 -8.807 628 HG SER 85 HG SER 85 -8.259 -9.142 -10.101 629 H SER 86 H SER 86 -7.237 -9.093 -5.819 630 HA SER 86 HA SER 86 -5.222 -9.847 -5.051 631 1HB SER 86 1HB SER 86 -6.299 -12.101 -4.964 632 2HB SER 86 2HB SER 86 -5.803 -12.368 -6.635 633 HG SER 86 HG SER 86 -3.713 -12.446 -6.016 634 H ASP 87 H ASP 87 -5.905 -8.601 -7.646 635 HA ASP 87 HA ASP 87 -3.402 -9.102 -9.100 636 1HB ASP 87 1HB ASP 87 -5.611 -9.787 -10.142 637 2HB ASP 87 2HB ASP 87 -5.999 -8.075 -10.212 638 H ILE 88 H ILE 88 -2.026 -7.412 -8.850 639 HA ILE 88 HA ILE 88 -3.072 -4.808 -8.134 640 HB ILE 88 HB ILE 88 -0.479 -4.281 -8.388 641 1HG1 ILE 88 1HG1 ILE 88 -0.185 -7.067 -7.404 642 2HG1 ILE 88 2HG1 ILE 88 -0.365 -6.861 -9.143 643 1HG2 ILE 88 1HG2 ILE 88 -2.018 -5.534 -6.166 644 2HG2 ILE 88 2HG2 ILE 88 -0.296 -5.215 -5.959 645 3HG2 ILE 88 3HG2 ILE 88 -1.401 -3.890 -6.324 646 1HD1 ILE 88 1HD1 ILE 88 1.525 -4.958 -8.263 647 2HD1 ILE 88 2HD1 ILE 88 1.944 -6.506 -7.532 648 3HD1 ILE 88 3HD1 ILE 88 1.784 -6.373 -9.283 649 H THR 89 H THR 89 -2.553 -6.426 -10.994 650 HA THR 89 HA THR 89 -1.262 -4.744 -12.704 651 HB THR 89 HB THR 89 -3.867 -6.066 -13.454 652 HG1 THR 89 HG1 THR 89 -2.183 -7.401 -12.265 653 1HG2 THR 89 1HG2 THR 89 -1.848 -4.672 -14.901 654 2HG2 THR 89 2HG2 THR 89 -1.804 -6.369 -15.378 655 3HG2 THR 89 3HG2 THR 89 -3.304 -5.452 -15.519 656 H ALA 90 H ALA 90 -4.776 -4.598 -12.049 657 HA ALA 90 HA ALA 90 -5.215 -2.276 -13.496 658 1HB ALA 90 1HB ALA 90 -6.744 -3.857 -11.536 659 2HB ALA 90 2HB ALA 90 -7.269 -2.195 -11.802 660 3HB ALA 90 3HB ALA 90 -7.187 -3.320 -13.157 661 H SER 91 H SER 91 -4.632 -2.746 -10.023 662 HA SER 91 HA SER 91 -4.952 -0.056 -9.253 663 1HB SER 91 1HB SER 91 -2.987 -1.335 -7.608 664 2HB SER 91 2HB SER 91 -4.667 -0.962 -7.225 665 HG SER 91 HG SER 91 -4.474 -3.150 -7.079 666 H VAL 92 H VAL 92 -2.219 -1.825 -10.493 667 HA VAL 92 HA VAL 92 -0.365 0.274 -9.961 668 HB VAL 92 HB VAL 92 -0.107 -2.135 -11.754 669 1HG1 VAL 92 1HG1 VAL 92 1.825 0.124 -11.241 670 2HG1 VAL 92 2HG1 VAL 92 2.343 -1.455 -11.831 671 3HG1 VAL 92 3HG1 VAL 92 1.237 -0.474 -12.793 672 1HG2 VAL 92 1HG2 VAL 92 0.444 -1.557 -8.954 673 2HG2 VAL 92 2HG2 VAL 92 0.331 -3.107 -9.786 674 3HG2 VAL 92 3HG2 VAL 92 1.846 -2.206 -9.806 675 H ASN 93 H ASN 93 -1.918 -0.889 -12.959 676 HA ASN 93 HA ASN 93 -0.885 0.784 -14.757 677 1HB ASN 93 1HB ASN 93 -2.420 -0.223 -15.984 678 2HB ASN 93 2HB ASN 93 -3.219 -0.751 -14.525 679 2HD2 ASN 93 2HD2 ASN 93 -5.159 0.062 -14.035 680 1HD2 ASN 93 1HD2 ASN 93 -5.931 1.356 -14.881 681 H CYS 94 H CYS 94 -3.456 1.506 -12.482 682 HA CYS 94 HA CYS 94 -3.942 4.146 -13.297 683 1HB CYS 94 1HB CYS 94 -5.209 2.570 -11.596 684 2HB CYS 94 2HB CYS 94 -4.194 3.398 -10.418 685 H ALA 95 H ALA 95 -1.807 2.844 -10.748 686 HA ALA 95 HA ALA 95 -0.822 5.401 -10.004 687 1HB ALA 95 1HB ALA 95 0.324 4.360 -8.415 688 2HB ALA 95 2HB ALA 95 0.978 3.155 -9.525 689 3HB ALA 95 3HB ALA 95 -0.651 2.965 -8.879 690 H LYS 96 H LYS 96 0.325 2.953 -12.288 691 HA LYS 96 HA LYS 96 2.813 3.908 -12.915 692 1HB LYS 96 1HB LYS 96 1.135 2.043 -14.019 693 2HB LYS 96 2HB LYS 96 1.157 3.273 -15.275 694 1HG LYS 96 1HG LYS 96 3.793 3.076 -14.745 695 2HG LYS 96 2HG LYS 96 3.268 1.429 -14.390 696 1HD LYS 96 1HD LYS 96 2.204 2.616 -16.872 697 2HD LYS 96 2HD LYS 96 3.938 2.293 -16.856 698 1HE LYS 96 1HE LYS 96 3.422 -0.032 -16.112 699 2HE LYS 96 2HE LYS 96 1.712 0.326 -16.346 700 1HZ LYS 96 1HZ LYS 96 2.177 0.785 -18.681 701 2HZ LYS 96 2HZ LYS 96 3.808 0.403 -18.449 702 3HZ LYS 96 3HZ LYS 96 2.627 -0.793 -18.268 703 H LYS 97 H LYS 97 -0.340 5.024 -13.622 704 HA LYS 97 HA LYS 97 0.481 7.250 -15.308 705 1HB LYS 97 1HB LYS 97 -2.152 6.204 -14.329 706 2HB LYS 97 2HB LYS 97 -2.048 7.848 -14.944 707 1HG LYS 97 1HG LYS 97 -0.742 6.109 -16.779 708 2HG LYS 97 2HG LYS 97 -2.332 5.446 -16.395 709 1HD LYS 97 1HD LYS 97 -3.432 7.412 -17.104 710 2HD LYS 97 2HD LYS 97 -1.926 8.332 -17.138 711 1HE LYS 97 1HE LYS 97 -2.269 5.930 -18.888 712 2HE LYS 97 2HE LYS 97 -2.964 7.480 -19.363 713 1HZ LYS 97 1HZ LYS 97 -0.518 8.258 -18.760 714 2HZ LYS 97 2HZ LYS 97 -0.170 6.664 -19.209 715 3HZ LYS 97 3HZ LYS 97 -0.936 7.703 -20.302 716 H ILE 98 H ILE 98 -0.607 6.654 -12.009 717 HA ILE 98 HA ILE 98 -0.933 9.289 -11.177 718 HB ILE 98 HB ILE 98 -0.059 6.917 -9.550 719 1HG1 ILE 98 1HG1 ILE 98 -2.769 8.255 -9.740 720 2HG1 ILE 98 2HG1 ILE 98 -2.321 6.834 -10.677 721 1HG2 ILE 98 1HG2 ILE 98 -0.557 9.749 -8.831 722 2HG2 ILE 98 2HG2 ILE 98 -1.171 8.511 -7.735 723 3HG2 ILE 98 3HG2 ILE 98 0.549 8.576 -8.116 724 1HD1 ILE 98 1HD1 ILE 98 -1.724 5.942 -8.232 725 2HD1 ILE 98 2HD1 ILE 98 -2.999 7.090 -7.821 726 3HD1 ILE 98 3HD1 ILE 98 -3.323 5.781 -8.958 727 H VAL 99 H VAL 99 1.910 7.204 -10.998 728 HA VAL 99 HA VAL 99 3.620 9.225 -9.954 729 HB VAL 99 HB VAL 99 3.951 6.763 -9.618 730 1HG1 VAL 99 1HG1 VAL 99 3.802 6.663 -12.382 731 2HG1 VAL 99 2HG1 VAL 99 5.507 6.383 -12.030 732 3HG1 VAL 99 3HG1 VAL 99 4.276 5.349 -11.306 733 1HG2 VAL 99 1HG2 VAL 99 5.961 8.766 -10.267 734 2HG2 VAL 99 2HG2 VAL 99 5.881 7.638 -8.914 735 3HG2 VAL 99 3HG2 VAL 99 6.546 7.114 -10.461 736 H SER 100 H SER 100 2.737 8.186 -13.182 737 HA SER 100 HA SER 100 4.976 9.542 -14.421 738 1HB SER 100 1HB SER 100 3.947 7.486 -15.403 739 2HB SER 100 2HB SER 100 2.489 8.421 -15.732 740 HG SER 100 HG SER 100 3.489 8.834 -17.541 741 H ASP 101 H ASP 101 2.121 10.546 -13.061 742 HA ASP 101 HA ASP 101 2.187 13.032 -14.634 743 1HB ASP 101 1HB ASP 101 0.120 11.185 -14.779 744 2HB ASP 101 2HB ASP 101 -0.485 12.407 -13.664 745 H GLY 102 H GLY 102 2.322 11.588 -11.612 746 1HA GLY 102 1HA GLY 102 1.532 12.435 -9.504 747 2HA GLY 102 2HA GLY 102 1.345 14.011 -10.254 748 H ASN 103 H ASN 103 2.949 12.741 -7.905 749 HA ASN 103 HA ASN 103 5.525 13.992 -8.593 750 1HB ASN 103 1HB ASN 103 3.653 14.869 -6.681 751 2HB ASN 103 2HB ASN 103 4.976 14.149 -5.769 752 2HD2 ASN 103 2HD2 ASN 103 6.024 15.867 -5.004 753 1HD2 ASN 103 1HD2 ASN 103 6.678 17.143 -5.968 754 H GLY 104 H GLY 104 5.527 11.434 -9.053 755 1HA GLY 104 1HA GLY 104 7.512 10.359 -7.444 756 2HA GLY 104 2HA GLY 104 6.509 9.427 -8.540 757 H MET 105 H MET 105 7.572 9.403 -5.554 758 HA MET 105 HA MET 105 5.345 7.834 -4.560 759 1HB MET 105 1HB MET 105 7.811 8.287 -2.954 760 2HB MET 105 2HB MET 105 6.864 6.820 -3.163 761 1HG MET 105 1HG MET 105 8.757 8.014 -5.175 762 2HG MET 105 2HG MET 105 9.056 6.596 -4.170 763 1HE MET 105 1HE MET 105 6.931 4.897 -4.004 764 2HE MET 105 2HE MET 105 5.551 5.730 -4.718 765 3HE MET 105 3HE MET 105 6.164 4.250 -5.454 766 H ASN 106 H ASN 106 6.222 11.019 -4.467 767 HA ASN 106 HA ASN 106 5.749 11.604 -1.722 768 1HB ASN 106 1HB ASN 106 5.411 13.672 -3.847 769 2HB ASN 106 2HB ASN 106 6.193 13.787 -2.278 770 2HD2 ASN 106 2HD2 ASN 106 7.095 14.513 -4.999 771 1HD2 ASN 106 1HD2 ASN 106 8.606 13.700 -5.205 772 H ALA 107 H ALA 107 3.737 11.318 -4.566 773 HA ALA 107 HA ALA 107 1.508 12.781 -3.844 774 1HB ALA 107 1HB ALA 107 1.848 10.261 -5.423 775 2HB ALA 107 2HB ALA 107 0.241 10.920 -5.118 776 3HB ALA 107 3HB ALA 107 1.439 11.882 -5.983 777 H TRP 108 H TRP 108 2.297 9.431 -2.995 778 HA TRP 108 HA TRP 108 -0.028 9.147 -1.333 779 1HB TRP 108 1HB TRP 108 2.403 7.376 -1.663 780 2HB TRP 108 2HB TRP 108 0.958 6.944 -0.751 781 HD1 TRP 108 HD1 TRP 108 -1.304 6.501 -2.182 782 HE1 TRP 108 HE1 TRP 108 -1.642 5.790 -4.633 783 HE3 TRP 108 HE3 TRP 108 3.351 7.587 -3.990 784 HZ2 TRP 108 HZ2 TRP 108 -0.133 5.703 -7.027 785 HZ3 TRP 108 HZ3 TRP 108 3.822 7.166 -6.366 786 HH2 TRP 108 HH2 TRP 108 2.118 6.242 -7.850 787 H VAL 109 H VAL 109 -0.217 9.446 0.776 788 HA VAL 109 HA VAL 109 1.764 10.938 2.176 789 HB VAL 109 HB VAL 109 -0.383 9.850 3.751 790 1HG1 VAL 109 1HG1 VAL 109 0.828 12.529 3.244 791 2HG1 VAL 109 2HG1 VAL 109 -0.682 12.377 4.143 792 3HG1 VAL 109 3HG1 VAL 109 0.783 11.595 4.739 793 1HG2 VAL 109 1HG2 VAL 109 -1.000 11.548 1.349 794 2HG2 VAL 109 2HG2 VAL 109 -1.620 9.935 1.701 795 3HG2 VAL 109 3HG2 VAL 109 -2.112 11.304 2.696 796 H ALA 110 H ALA 110 0.976 7.562 2.107 797 HA ALA 110 HA ALA 110 2.032 6.939 4.681 798 1HB ALA 110 1HB ALA 110 2.257 4.711 2.912 799 2HB ALA 110 2HB ALA 110 1.114 4.967 4.231 800 3HB ALA 110 3HB ALA 110 0.728 5.535 2.605 801 H TRP 111 H TRP 111 3.375 7.442 1.552 802 HA TRP 111 HA TRP 111 5.933 6.270 2.255 803 1HB TRP 111 1HB TRP 111 5.165 6.109 -0.069 804 2HB TRP 111 2HB TRP 111 5.127 7.860 -0.193 805 HD1 TRP 111 HD1 TRP 111 7.454 4.907 -0.432 806 HE1 TRP 111 HE1 TRP 111 9.799 5.712 -1.123 807 HE3 TRP 111 HE3 TRP 111 6.772 9.948 0.090 808 HZ2 TRP 111 HZ2 TRP 111 11.178 8.157 -1.406 809 HZ3 TRP 111 HZ3 TRP 111 8.655 11.450 -0.411 810 HH2 TRP 111 HH2 TRP 111 10.812 10.572 -1.143 811 H ARG 112 H ARG 112 4.437 9.463 2.010 812 HA ARG 112 HA ARG 112 6.942 10.765 2.745 813 1HB ARG 112 1HB ARG 112 4.377 11.577 1.574 814 2HB ARG 112 2HB ARG 112 5.052 12.718 2.727 815 1HG ARG 112 1HG ARG 112 7.032 11.754 0.836 816 2HG ARG 112 2HG ARG 112 5.667 12.549 0.048 817 1HD ARG 112 1HD ARG 112 6.099 14.295 2.028 818 2HD ARG 112 2HD ARG 112 7.733 13.656 1.857 819 HE ARG 112 HE ARG 112 7.874 14.624 -0.247 820 1HH1 ARG 112 1HH1 ARG 112 4.668 14.988 1.067 821 2HH1 ARG 112 2HH1 ARG 112 4.181 16.163 -0.108 822 1HH2 ARG 112 1HH2 ARG 112 7.241 16.171 -1.798 823 2HH2 ARG 112 2HH2 ARG 112 5.643 16.836 -1.737 824 H ASN 113 H ASN 113 6.098 9.084 4.708 825 HA ASN 113 HA ASN 113 5.637 10.940 6.877 826 1HB ASN 113 1HB ASN 113 3.340 10.293 6.124 827 2HB ASN 113 2HB ASN 113 3.727 8.623 6.524 828 2HD2 ASN 113 2HD2 ASN 113 3.608 7.958 8.593 829 1HD2 ASN 113 1HD2 ASN 113 3.147 8.968 9.917 830 H ARG 114 H ARG 114 5.437 7.438 6.306 831 HA ARG 114 HA ARG 114 7.256 7.034 8.572 832 1HB ARG 114 1HB ARG 114 5.069 5.456 7.340 833 2HB ARG 114 2HB ARG 114 6.414 4.558 8.019 834 1HG ARG 114 1HG ARG 114 5.237 6.690 9.697 835 2HG ARG 114 2HG ARG 114 4.272 5.236 9.437 836 1HD ARG 114 1HD ARG 114 5.598 4.997 11.447 837 2HD ARG 114 2HD ARG 114 6.162 3.867 10.216 838 HE ARG 114 HE ARG 114 7.658 6.252 10.080 839 1HH1 ARG 114 1HH1 ARG 114 7.220 3.439 12.089 840 2HH1 ARG 114 2HH1 ARG 114 8.836 3.473 12.711 841 1HH2 ARG 114 1HH2 ARG 114 9.788 6.304 10.894 842 2HH2 ARG 114 2HH2 ARG 114 10.295 5.102 12.034 843 H CYS 115 H CYS 115 7.446 7.305 5.308 844 HA CYS 115 HA CYS 115 9.591 5.296 5.119 845 1HB CYS 115 1HB CYS 115 7.657 4.999 3.568 846 2HB CYS 115 2HB CYS 115 8.070 6.545 2.832 847 H LYS 116 H LYS 116 8.706 8.590 4.078 848 HA LYS 116 HA LYS 116 11.060 9.320 2.853 849 1HB LYS 116 1HB LYS 116 8.854 10.624 3.124 850 2HB LYS 116 2HB LYS 116 9.548 11.223 4.623 851 1HG LYS 116 1HG LYS 116 11.380 11.479 2.391 852 2HG LYS 116 2HG LYS 116 9.856 12.324 2.114 853 1HD LYS 116 1HD LYS 116 10.244 13.835 3.756 854 2HD LYS 116 2HD LYS 116 11.065 12.661 4.787 855 1HE LYS 116 1HE LYS 116 13.104 13.054 3.842 856 2HE LYS 116 2HE LYS 116 12.417 13.474 2.274 857 1HZ LYS 116 1HZ LYS 116 11.513 15.481 3.773 858 2HZ LYS 116 2HZ LYS 116 12.974 15.164 4.565 859 3HZ LYS 116 3HZ LYS 116 12.971 15.541 2.915 860 H GLY 117 H GLY 117 12.953 8.665 3.778 861 1HA GLY 117 1HA GLY 117 13.548 9.794 6.442 862 2HA GLY 117 2HA GLY 117 14.708 9.813 5.125 863 H THR 118 H THR 118 13.420 6.941 4.584 864 HA THR 118 HA THR 118 15.107 5.572 6.572 865 HB THR 118 HB THR 118 13.687 3.603 6.303 866 HG1 THR 118 HG1 THR 118 12.992 3.990 4.145 867 1HG2 THR 118 1HG2 THR 118 13.109 5.653 7.839 868 2HG2 THR 118 2HG2 THR 118 11.729 5.812 6.751 869 3HG2 THR 118 3HG2 THR 118 11.969 4.320 7.660 870 H ASP 119 H ASP 119 14.738 3.037 5.057 871 HA ASP 119 HA ASP 119 16.333 3.597 2.672 872 1HB ASP 119 1HB ASP 119 17.603 2.832 4.810 873 2HB ASP 119 2HB ASP 119 17.039 1.264 4.280 874 H VAL 120 H VAL 120 14.952 3.003 1.117 875 HA VAL 120 HA VAL 120 13.195 0.764 1.353 876 HB VAL 120 HB VAL 120 12.615 1.226 -0.997 877 1HG1 VAL 120 1HG1 VAL 120 12.150 2.841 1.220 878 2HG1 VAL 120 2HG1 VAL 120 12.545 3.965 -0.082 879 3HG1 VAL 120 3HG1 VAL 120 11.227 2.811 -0.281 880 1HG2 VAL 120 1HG2 VAL 120 15.172 2.349 -1.101 881 2HG2 VAL 120 2HG2 VAL 120 13.965 2.320 -2.386 882 3HG2 VAL 120 3HG2 VAL 120 14.057 3.702 -1.294 883 H GLN 121 H GLN 121 16.343 1.374 -0.038 884 HA GLN 121 HA GLN 121 16.558 -0.865 -1.710 885 1HB GLN 121 1HB GLN 121 18.221 1.221 -0.949 886 2HB GLN 121 2HB GLN 121 19.036 -0.201 -0.310 887 1HG GLN 121 1HG GLN 121 19.427 -1.084 -2.388 888 2HG GLN 121 2HG GLN 121 18.064 -0.239 -3.122 889 2HE2 GLN 121 2HE2 GLN 121 21.187 0.402 -1.575 890 1HE2 GLN 121 1HE2 GLN 121 21.624 1.718 -2.605 891 H ALA 122 H ALA 122 16.601 -0.503 1.705 892 HA ALA 122 HA ALA 122 17.711 -3.151 2.181 893 1HB ALA 122 1HB ALA 122 18.425 -1.432 3.697 894 2HB ALA 122 2HB ALA 122 17.394 -2.558 4.580 895 3HB ALA 122 3HB ALA 122 16.755 -0.997 4.064 896 H TRP 123 H TRP 123 14.663 -1.586 1.817 897 HA TRP 123 HA TRP 123 13.041 -3.299 3.365 898 1HB TRP 123 1HB TRP 123 12.587 -1.404 1.120 899 2HB TRP 123 2HB TRP 123 11.325 -2.588 1.440 900 HD1 TRP 123 HD1 TRP 123 11.695 0.790 2.097 901 HE1 TRP 123 HE1 TRP 123 10.747 1.534 4.372 902 HE3 TRP 123 HE3 TRP 123 11.424 -3.737 4.426 903 HZ2 TRP 123 HZ2 TRP 123 9.999 0.326 6.800 904 HZ3 TRP 123 HZ3 TRP 123 10.584 -3.865 6.715 905 HH2 TRP 123 HH2 TRP 123 9.879 -1.851 7.890 906 H ILE 124 H ILE 124 14.725 -3.832 0.443 907 HA ILE 124 HA ILE 124 13.149 -6.269 -0.077 908 HB ILE 124 HB ILE 124 14.279 -6.173 -2.362 909 1HG1 ILE 124 1HG1 ILE 124 14.426 -3.271 -2.291 910 2HG1 ILE 124 2HG1 ILE 124 15.593 -4.007 -1.197 911 1HG2 ILE 124 1HG2 ILE 124 11.882 -5.259 -1.450 912 2HG2 ILE 124 2HG2 ILE 124 12.519 -3.837 -2.276 913 3HG2 ILE 124 3HG2 ILE 124 12.344 -5.359 -3.148 914 1HD1 ILE 124 1HD1 ILE 124 15.336 -4.911 -4.039 915 2HD1 ILE 124 2HD1 ILE 124 16.322 -3.517 -3.593 916 3HD1 ILE 124 3HD1 ILE 124 16.692 -5.109 -2.927 917 H ARG 125 H ARG 125 15.518 -5.725 1.762 918 HA ARG 125 HA ARG 125 17.747 -7.121 0.685 919 1HB ARG 125 1HB ARG 125 17.641 -5.507 2.710 920 2HB ARG 125 2HB ARG 125 17.152 -6.926 3.626 921 1HG ARG 125 1HG ARG 125 19.217 -8.051 3.041 922 2HG ARG 125 2HG ARG 125 19.702 -6.679 2.043 923 1HD ARG 125 1HD ARG 125 20.569 -5.659 3.814 924 2HD ARG 125 2HD ARG 125 19.017 -5.735 4.646 925 HE ARG 125 HE ARG 125 19.803 -7.497 5.881 926 1HH1 ARG 125 1HH1 ARG 125 21.901 -6.996 3.144 927 2HH1 ARG 125 2HH1 ARG 125 23.097 -8.122 3.692 928 1HH2 ARG 125 1HH2 ARG 125 21.372 -8.981 6.609 929 2HH2 ARG 125 2HH2 ARG 125 22.796 -9.251 5.660 930 H GLY 126 H GLY 126 16.852 -9.023 -0.209 931 1HA GLY 126 1HA GLY 126 16.021 -11.030 1.795 932 2HA GLY 126 2HA GLY 126 17.129 -11.409 0.484 933 H CYS 127 H CYS 127 15.676 -9.791 -1.452 934 HA CYS 127 HA CYS 127 13.036 -10.880 -1.640 935 1HB CYS 127 1HB CYS 127 14.636 -8.967 -3.134 936 2HB CYS 127 2HB CYS 127 13.375 -9.777 -4.038 937 H ARG 128 H ARG 128 12.432 -12.712 -2.585 938 HA ARG 128 HA ARG 128 14.435 -14.234 -4.071 939 1HB ARG 128 1HB ARG 128 12.119 -14.888 -2.404 940 2HB ARG 128 2HB ARG 128 12.199 -15.836 -3.883 941 1HG ARG 128 1HG ARG 128 14.328 -16.705 -3.321 942 2HG ARG 128 2HG ARG 128 14.519 -15.558 -1.994 943 1HD ARG 128 1HD ARG 128 12.386 -17.684 -2.117 944 2HD ARG 128 2HD ARG 128 13.920 -17.862 -1.266 945 HE ARG 128 HE ARG 128 13.198 -15.977 0.148 946 1HH1 ARG 128 1HH1 ARG 128 10.799 -17.752 -1.651 947 2HH1 ARG 128 2HH1 ARG 128 9.501 -17.333 -0.582 948 1HH2 ARG 128 1HH2 ARG 128 11.496 -15.422 1.561 949 2HH2 ARG 128 2HH2 ARG 128 9.898 -16.009 1.243 950 H LEU 129 H LEU 129 14.264 -12.815 -5.936 951 HA LEU 129 HA LEU 129 12.263 -13.791 -7.795 952 1HB LEU 129 1HB LEU 129 11.717 -11.455 -8.541 953 2HB LEU 129 2HB LEU 129 11.058 -11.923 -6.985 954 HG LEU 129 HG LEU 129 13.454 -10.744 -6.297 955 1HD1 LEU 129 1HD1 LEU 129 13.411 -10.022 -8.805 956 2HD1 LEU 129 2HD1 LEU 129 12.230 -8.840 -8.239 957 3HD1 LEU 129 3HD1 LEU 129 13.854 -8.861 -7.553 958 1HD2 LEU 129 1HD2 LEU 129 10.625 -10.234 -6.058 959 2HD2 LEU 129 2HD2 LEU 129 11.929 -9.904 -4.916 960 3HD2 LEU 129 3HD2 LEU 129 11.535 -8.728 -6.169 No H/Q in entry = 960 Start of MODEL 38 1 H1 LYS 1 H1 LYS 1 -6.451 -9.941 2.382 2 H2 LYS 1 H2 LYS 1 -7.547 -10.950 1.582 3 H3 LYS 1 H3 LYS 1 -6.799 -11.475 3.005 4 HA LYS 1 HA LYS 1 -5.023 -12.220 1.945 5 1HB LYS 1 1HB LYS 1 -7.211 -12.299 0.245 6 2HB LYS 1 2HB LYS 1 -5.936 -11.636 -0.767 7 1HG LYS 1 1HG LYS 1 -4.896 -13.847 0.704 8 2HG LYS 1 2HG LYS 1 -6.400 -14.326 -0.086 9 1HD LYS 1 1HD LYS 1 -5.086 -14.681 -1.875 10 2HD LYS 1 2HD LYS 1 -5.178 -12.929 -2.072 11 1HE LYS 1 1HE LYS 1 -2.944 -12.971 -1.993 12 2HE LYS 1 2HE LYS 1 -3.143 -13.220 -0.259 13 1HZ LYS 1 1HZ LYS 1 -3.102 -15.500 -2.135 14 2HZ LYS 1 2HZ LYS 1 -1.666 -14.837 -1.534 15 3HZ LYS 1 3HZ LYS 1 -2.804 -15.497 -0.471 16 H VAL 2 H VAL 2 -3.467 -10.693 2.521 17 HA VAL 2 HA VAL 2 -3.022 -8.393 0.796 18 HB VAL 2 HB VAL 2 -1.688 -9.323 3.338 19 1HG1 VAL 2 1HG1 VAL 2 -0.303 -8.001 1.438 20 2HG1 VAL 2 2HG1 VAL 2 -1.038 -6.646 2.291 21 3HG1 VAL 2 3HG1 VAL 2 -0.030 -7.794 3.168 22 1HG2 VAL 2 1HG2 VAL 2 -4.004 -7.901 2.932 23 2HG2 VAL 2 2HG2 VAL 2 -3.045 -7.911 4.412 24 3HG2 VAL 2 3HG2 VAL 2 -2.807 -6.638 3.215 25 H PHE 3 H PHE 3 -1.080 -8.021 -0.358 26 HA PHE 3 HA PHE 3 0.036 -10.270 -1.653 27 1HB PHE 3 1HB PHE 3 0.551 -7.324 -1.639 28 2HB PHE 3 2HB PHE 3 1.764 -8.383 -2.340 29 HD1 PHE 3 HD1 PHE 3 1.109 -9.865 -4.255 30 HD2 PHE 3 HD2 PHE 3 -1.377 -6.739 -2.797 31 HE1 PHE 3 HE1 PHE 3 -0.135 -9.870 -6.376 32 HE2 PHE 3 HE2 PHE 3 -2.625 -6.734 -4.912 33 HZ PHE 3 HZ PHE 3 -2.005 -8.304 -6.707 34 H GLY 4 H GLY 4 2.382 -10.640 -1.773 35 1HA GLY 4 1HA GLY 4 4.089 -11.664 -0.499 36 2HA GLY 4 2HA GLY 4 3.521 -10.782 0.916 37 H ARG 5 H ARG 5 5.703 -10.122 1.349 38 HA ARG 5 HA ARG 5 6.352 -7.577 0.485 39 1HB ARG 5 1HB ARG 5 8.170 -9.726 1.586 40 2HB ARG 5 2HB ARG 5 8.643 -8.045 1.390 41 1HG ARG 5 1HG ARG 5 6.429 -7.679 2.827 42 2HG ARG 5 2HG ARG 5 6.861 -9.296 3.388 43 1HD ARG 5 1HD ARG 5 8.609 -6.838 3.449 44 2HD ARG 5 2HD ARG 5 7.850 -7.624 4.834 45 HE ARG 5 HE ARG 5 10.249 -8.439 3.472 46 1HH1 ARG 5 1HH1 ARG 5 7.599 -9.478 5.482 47 2HH1 ARG 5 2HH1 ARG 5 8.457 -10.833 6.136 48 1HH2 ARG 5 1HH2 ARG 5 11.387 -10.220 4.329 49 2HH2 ARG 5 2HH2 ARG 5 10.611 -11.254 5.481 50 H CYS 6 H CYS 6 8.149 -10.523 -0.457 51 HA CYS 6 HA CYS 6 9.230 -9.083 -2.714 52 1HB CYS 6 1HB CYS 6 9.602 -12.024 -2.355 53 2HB CYS 6 2HB CYS 6 10.701 -10.813 -3.008 54 H GLU 7 H GLU 7 6.814 -11.579 -2.119 55 HA GLU 7 HA GLU 7 6.391 -12.556 -4.657 56 1HB GLU 7 1HB GLU 7 4.987 -12.618 -2.253 57 2HB GLU 7 2HB GLU 7 3.866 -11.853 -3.372 58 1HG GLU 7 1HG GLU 7 3.370 -13.803 -4.284 59 2HG GLU 7 2HG GLU 7 5.069 -14.122 -4.628 60 H LEU 8 H LEU 8 4.997 -9.641 -3.215 61 HA LEU 8 HA LEU 8 3.768 -8.722 -5.581 62 1HB LEU 8 1HB LEU 8 2.914 -7.656 -3.720 63 2HB LEU 8 2HB LEU 8 4.489 -7.478 -2.966 64 HG LEU 8 HG LEU 8 4.700 -5.893 -5.221 65 1HD1 LEU 8 1HD1 LEU 8 1.950 -5.535 -4.049 66 2HD1 LEU 8 2HD1 LEU 8 2.736 -4.441 -5.187 67 3HD1 LEU 8 3HD1 LEU 8 2.328 -6.084 -5.682 68 1HD2 LEU 8 1HD2 LEU 8 5.439 -5.485 -2.850 69 2HD2 LEU 8 2HD2 LEU 8 4.813 -4.080 -3.712 70 3HD2 LEU 8 3HD2 LEU 8 3.804 -4.909 -2.528 71 H ALA 9 H ALA 9 6.982 -8.112 -4.107 72 HA ALA 9 HA ALA 9 7.809 -6.095 -5.839 73 1HB ALA 9 1HB ALA 9 9.707 -8.195 -4.881 74 2HB ALA 9 2HB ALA 9 9.968 -6.463 -5.090 75 3HB ALA 9 3HB ALA 9 8.968 -7.051 -3.760 76 H ALA 10 H ALA 10 8.313 -9.617 -6.205 77 HA ALA 10 HA ALA 10 9.653 -9.607 -8.610 78 1HB ALA 10 1HB ALA 10 9.330 -11.843 -8.605 79 2HB ALA 10 2HB ALA 10 7.590 -11.695 -8.358 80 3HB ALA 10 3HB ALA 10 8.691 -11.551 -6.988 81 H ALA 11 H ALA 11 6.180 -9.426 -7.965 82 HA ALA 11 HA ALA 11 5.386 -9.435 -10.671 83 1HB ALA 11 1HB ALA 11 3.854 -8.174 -8.428 84 2HB ALA 11 2HB ALA 11 3.907 -9.917 -8.693 85 3HB ALA 11 3HB ALA 11 3.215 -8.859 -9.923 86 H MET 12 H MET 12 6.164 -6.947 -8.437 87 HA MET 12 HA MET 12 5.425 -4.703 -9.953 88 1HB MET 12 1HB MET 12 7.762 -4.783 -8.059 89 2HB MET 12 2HB MET 12 6.771 -3.404 -8.468 90 1HG MET 12 1HG MET 12 5.305 -5.650 -7.309 91 2HG MET 12 2HG MET 12 6.481 -4.896 -6.237 92 1HE MET 12 1HE MET 12 6.307 -1.958 -7.729 93 2HE MET 12 2HE MET 12 5.226 -1.111 -6.624 94 3HE MET 12 3HE MET 12 6.523 -2.122 -5.986 95 H LYS 13 H LYS 13 8.559 -6.351 -9.656 96 HA LYS 13 HA LYS 13 10.059 -4.748 -11.347 97 1HB LYS 13 1HB LYS 13 10.831 -6.730 -9.915 98 2HB LYS 13 2HB LYS 13 10.326 -7.753 -11.255 99 1HG LYS 13 1HG LYS 13 12.115 -7.229 -12.494 100 2HG LYS 13 2HG LYS 13 12.073 -5.529 -12.019 101 1HD LYS 13 1HD LYS 13 13.727 -5.866 -10.573 102 2HD LYS 13 2HD LYS 13 12.781 -7.108 -9.749 103 1HE LYS 13 1HE LYS 13 14.433 -8.483 -10.403 104 2HE LYS 13 2HE LYS 13 13.605 -8.452 -11.959 105 1HZ LYS 13 1HZ LYS 13 15.520 -6.317 -11.462 106 2HZ LYS 13 2HZ LYS 13 16.165 -7.864 -11.682 107 3HZ LYS 13 3HZ LYS 13 15.198 -7.173 -12.885 108 H ARG 14 H ARG 14 7.955 -7.484 -12.057 109 HA ARG 14 HA ARG 14 8.421 -7.537 -14.844 110 1HB ARG 14 1HB ARG 14 6.214 -8.571 -13.079 111 2HB ARG 14 2HB ARG 14 6.103 -8.696 -14.829 112 1HG ARG 14 1HG ARG 14 8.649 -9.656 -14.123 113 2HG ARG 14 2HG ARG 14 7.504 -10.365 -12.983 114 1HD ARG 14 1HD ARG 14 7.156 -11.885 -14.594 115 2HD ARG 14 2HD ARG 14 6.168 -10.630 -15.340 116 HE ARG 14 HE ARG 14 9.018 -10.889 -16.014 117 1HH1 ARG 14 1HH1 ARG 14 5.661 -10.876 -16.948 118 2HH1 ARG 14 2HH1 ARG 14 6.001 -10.862 -18.646 119 1HH2 ARG 14 1HH2 ARG 14 9.474 -10.871 -18.247 120 2HH2 ARG 14 2HH2 ARG 14 8.168 -10.859 -19.384 121 H HIS 15 H HIS 15 6.110 -5.832 -12.770 122 HA HIS 15 HA HIS 15 4.609 -4.748 -14.919 123 1HB HIS 15 1HB HIS 15 4.785 -4.163 -11.972 124 2HB HIS 15 2HB HIS 15 3.744 -3.235 -13.046 125 HD1 HIS 15 HD1 HIS 15 2.008 -4.366 -11.189 126 HD2 HIS 15 HD2 HIS 15 3.541 -6.805 -14.182 127 HE1 HIS 15 HE1 HIS 15 0.458 -6.338 -11.304 128 HE2 HIS 15 HE2 HIS 15 1.458 -7.849 -13.057 129 H GLY 16 H GLY 16 7.729 -3.975 -13.798 130 1HA GLY 16 1HA GLY 16 7.665 -1.592 -15.382 131 2HA GLY 16 2HA GLY 16 9.070 -2.346 -14.664 132 H LEU 17 H LEU 17 7.607 -2.180 -11.882 133 HA LEU 17 HA LEU 17 7.514 0.678 -11.573 134 1HB LEU 17 1HB LEU 17 7.598 -1.208 -9.259 135 2HB LEU 17 2HB LEU 17 6.815 0.352 -9.371 136 HG LEU 17 HG LEU 17 5.791 -2.311 -9.972 137 1HD1 LEU 17 1HD1 LEU 17 5.049 -0.168 -8.460 138 2HD1 LEU 17 2HD1 LEU 17 3.966 -0.025 -9.845 139 3HD1 LEU 17 3HD1 LEU 17 3.994 -1.511 -8.897 140 1HD2 LEU 17 1HD2 LEU 17 5.488 -0.118 -11.992 141 2HD2 LEU 17 2HD2 LEU 17 5.763 -1.842 -12.248 142 3HD2 LEU 17 3HD2 LEU 17 4.180 -1.270 -11.719 143 H ASP 18 H ASP 18 9.894 -1.549 -11.731 144 HA ASP 18 HA ASP 18 11.725 -0.436 -9.814 145 1HB ASP 18 1HB ASP 18 12.053 -2.738 -10.375 146 2HB ASP 18 2HB ASP 18 12.078 -2.382 -12.098 147 H ASN 19 H ASN 19 11.746 1.751 -10.294 148 HA ASN 19 HA ASN 19 12.887 3.579 -11.108 149 1HB ASN 19 1HB ASN 19 14.437 1.693 -12.237 150 2HB ASN 19 2HB ASN 19 13.658 2.317 -13.688 151 2HD2 ASN 19 2HD2 ASN 19 16.417 2.503 -12.282 152 1HD2 ASN 19 1HD2 ASN 19 16.813 4.176 -12.447 153 H TYR 20 H TYR 20 10.214 2.992 -11.355 154 HA TYR 20 HA TYR 20 9.383 3.695 -14.059 155 1HB TYR 20 1HB TYR 20 8.180 1.981 -12.621 156 2HB TYR 20 2HB TYR 20 7.576 3.336 -11.673 157 HD1 TYR 20 HD1 TYR 20 7.585 1.833 -15.059 158 HD2 TYR 20 HD2 TYR 20 5.743 4.625 -12.431 159 HE1 TYR 20 HE1 TYR 20 5.749 2.128 -16.668 160 HE2 TYR 20 HE2 TYR 20 3.902 4.927 -14.033 161 HH TYR 20 HH TYR 20 3.468 2.867 -16.745 162 H ARG 21 H ARG 21 9.028 5.700 -14.708 163 HA ARG 21 HA ARG 21 8.754 7.963 -14.688 164 1HB ARG 21 1HB ARG 21 6.973 6.965 -12.593 165 2HB ARG 21 2HB ARG 21 7.508 8.613 -12.299 166 1HG ARG 21 1HG ARG 21 6.265 7.679 -14.874 167 2HG ARG 21 2HG ARG 21 5.373 8.436 -13.553 168 1HD ARG 21 1HD ARG 21 6.043 10.478 -14.151 169 2HD ARG 21 2HD ARG 21 7.723 9.963 -14.293 170 HE ARG 21 HE ARG 21 6.182 9.055 -16.499 171 1HH1 ARG 21 1HH1 ARG 21 7.724 11.886 -15.176 172 2HH1 ARG 21 2HH1 ARG 21 7.957 12.637 -16.720 173 1HH2 ARG 21 1HH2 ARG 21 6.484 10.037 -18.534 174 2HH2 ARG 21 2HH2 ARG 21 7.252 11.587 -18.627 175 H GLY 22 H GLY 22 10.861 6.423 -13.202 176 1HA GLY 22 1HA GLY 22 12.095 8.759 -11.938 177 2HA GLY 22 2HA GLY 22 12.948 7.353 -12.549 178 H TYR 23 H TYR 23 10.483 5.949 -10.857 179 HA TYR 23 HA TYR 23 12.030 6.150 -8.373 180 1HB TYR 23 1HB TYR 23 9.122 5.989 -8.864 181 2HB TYR 23 2HB TYR 23 9.741 5.132 -7.453 182 HD1 TYR 23 HD1 TYR 23 11.551 6.606 -6.086 183 HD2 TYR 23 HD2 TYR 23 8.408 8.156 -8.498 184 HE1 TYR 23 HE1 TYR 23 11.644 8.720 -4.834 185 HE2 TYR 23 HE2 TYR 23 8.491 10.274 -7.251 186 HH TYR 23 HH TYR 23 9.823 11.527 -5.833 187 H SER 24 H SER 24 13.035 4.478 -7.594 188 HA SER 24 HA SER 24 13.078 2.021 -9.027 189 1HB SER 24 1HB SER 24 14.776 1.339 -7.452 190 2HB SER 24 2HB SER 24 15.065 3.024 -7.884 191 HG SER 24 HG SER 24 13.967 1.980 -5.500 192 H LEU 25 H LEU 25 12.779 -0.066 -8.053 193 HA LEU 25 HA LEU 25 10.268 -0.646 -7.238 194 1HB LEU 25 1HB LEU 25 12.847 -2.009 -7.178 195 2HB LEU 25 2HB LEU 25 11.722 -2.606 -5.973 196 HG LEU 25 HG LEU 25 11.006 -2.366 -8.886 197 1HD1 LEU 25 1HD1 LEU 25 12.505 -4.477 -7.432 198 2HD1 LEU 25 2HD1 LEU 25 11.309 -4.978 -8.628 199 3HD1 LEU 25 3HD1 LEU 25 12.647 -3.932 -9.104 200 1HD2 LEU 25 1HD2 LEU 25 9.439 -2.751 -6.671 201 2HD2 LEU 25 2HD2 LEU 25 9.021 -3.216 -8.320 202 3HD2 LEU 25 3HD2 LEU 25 9.740 -4.398 -7.226 203 H GLY 26 H GLY 26 13.031 -0.406 -4.977 204 1HA GLY 26 1HA GLY 26 13.095 0.287 -2.784 205 2HA GLY 26 2HA GLY 26 11.821 -0.903 -2.604 206 H ASN 27 H ASN 27 11.634 2.179 -4.345 207 HA ASN 27 HA ASN 27 10.362 3.611 -2.266 208 1HB ASN 27 1HB ASN 27 10.198 4.116 -5.241 209 2HB ASN 27 2HB ASN 27 9.852 5.277 -3.963 210 2HD2 ASN 27 2HD2 ASN 27 12.049 4.522 -6.183 211 1HD2 ASN 27 1HD2 ASN 27 13.492 5.075 -5.410 212 H TRP 28 H TRP 28 9.155 1.528 -4.785 213 HA TRP 28 HA TRP 28 6.402 2.259 -4.435 214 1HB TRP 28 1HB TRP 28 7.607 -0.099 -5.878 215 2HB TRP 28 2HB TRP 28 5.935 0.450 -6.001 216 HD1 TRP 28 HD1 TRP 28 9.434 1.245 -7.194 217 HE1 TRP 28 HE1 TRP 28 9.326 3.098 -8.962 218 HE3 TRP 28 HE3 TRP 28 4.508 2.474 -6.758 219 HZ2 TRP 28 HZ2 TRP 28 7.430 4.870 -10.051 220 HZ3 TRP 28 HZ3 TRP 28 3.584 4.242 -8.189 221 HH2 TRP 28 HH2 TRP 28 5.018 5.424 -9.813 222 H VAL 29 H VAL 29 8.559 -0.187 -3.126 223 HA VAL 29 HA VAL 29 6.482 -1.804 -2.048 224 HB VAL 29 HB VAL 29 9.412 -1.633 -1.336 225 1HG1 VAL 29 1HG1 VAL 29 7.312 -2.918 0.046 226 2HG1 VAL 29 2HG1 VAL 29 8.257 -4.173 -0.755 227 3HG1 VAL 29 3HG1 VAL 29 9.047 -3.039 0.340 228 1HG2 VAL 29 1HG2 VAL 29 9.026 -2.303 -3.644 229 2HG2 VAL 29 2HG2 VAL 29 9.631 -3.660 -2.693 230 3HG2 VAL 29 3HG2 VAL 29 7.918 -3.566 -3.105 231 H CYS 30 H CYS 30 8.722 0.579 -0.654 232 HA CYS 30 HA CYS 30 7.747 0.452 1.963 233 1HB CYS 30 1HB CYS 30 9.877 1.579 1.131 234 2HB CYS 30 2HB CYS 30 8.861 2.945 0.681 235 H ALA 31 H ALA 31 6.830 2.594 -0.738 236 HA ALA 31 HA ALA 31 4.981 4.152 0.676 237 1HB ALA 31 1HB ALA 31 5.845 3.856 -2.028 238 2HB ALA 31 2HB ALA 31 5.029 5.222 -1.267 239 3HB ALA 31 3HB ALA 31 4.083 3.921 -1.989 240 H ALA 32 H ALA 32 4.533 1.199 -1.241 241 HA ALA 32 HA ALA 32 1.727 1.071 -0.901 242 1HB ALA 32 1HB ALA 32 2.575 -0.128 -2.719 243 2HB ALA 32 2HB ALA 32 2.096 -1.371 -1.564 244 3HB ALA 32 3HB ALA 32 3.796 -0.934 -1.734 245 H LYS 33 H LYS 33 4.428 -0.427 0.853 246 HA LYS 33 HA LYS 33 3.074 -2.161 2.490 247 1HB LYS 33 1HB LYS 33 5.479 -2.102 2.453 248 2HB LYS 33 2HB LYS 33 5.495 -0.463 3.089 249 1HG LYS 33 1HG LYS 33 5.510 -1.223 5.166 250 2HG LYS 33 2HG LYS 33 4.047 -2.166 4.875 251 1HD LYS 33 1HD LYS 33 5.532 -3.830 5.427 252 2HD LYS 33 2HD LYS 33 5.710 -3.798 3.672 253 1HE LYS 33 1HE LYS 33 7.582 -2.040 4.214 254 2HE LYS 33 2HE LYS 33 7.567 -2.825 5.793 255 1HZ LYS 33 1HZ LYS 33 7.587 -4.814 3.827 256 2HZ LYS 33 2HZ LYS 33 8.795 -3.698 3.434 257 3HZ LYS 33 3HZ LYS 33 8.794 -4.445 4.952 258 H PHE 34 H PHE 34 3.894 1.221 3.305 259 HA PHE 34 HA PHE 34 2.291 1.114 5.644 260 1HB PHE 34 1HB PHE 34 3.972 3.101 4.359 261 2HB PHE 34 2HB PHE 34 2.713 3.737 5.398 262 HD1 PHE 34 HD1 PHE 34 2.677 3.086 7.794 263 HD2 PHE 34 HD2 PHE 34 5.909 2.062 5.221 264 HE1 PHE 34 HE1 PHE 34 4.090 2.631 9.757 265 HE2 PHE 34 HE2 PHE 34 7.327 1.604 7.179 266 HZ PHE 34 HZ PHE 34 6.418 1.889 9.450 267 H GLU 35 H GLU 35 1.713 2.093 2.373 268 HA GLU 35 HA GLU 35 -0.517 3.733 2.801 269 1HB GLU 35 1HB GLU 35 0.779 2.369 0.564 270 2HB GLU 35 2HB GLU 35 -0.963 2.502 0.371 271 1HG GLU 35 1HG GLU 35 -0.911 4.826 0.372 272 2HG GLU 35 2HG GLU 35 0.685 4.884 1.119 273 H SER 36 H SER 36 -0.375 0.307 1.859 274 HA SER 36 HA SER 36 -3.036 -0.061 3.075 275 1HB SER 36 1HB SER 36 -3.565 -1.593 1.147 276 2HB SER 36 2HB SER 36 -3.396 0.104 0.700 277 HG SER 36 HG SER 36 -1.557 -2.007 0.310 278 H ASN 37 H ASN 37 0.085 -1.001 3.277 279 HA ASN 37 HA ASN 37 1.157 -2.799 4.193 280 1HB ASN 37 1HB ASN 37 -1.582 -3.757 5.046 281 2HB ASN 37 2HB ASN 37 -0.033 -4.177 5.769 282 2HD2 ASN 37 2HD2 ASN 37 1.192 -2.388 6.738 283 1HD2 ASN 37 1HD2 ASN 37 0.314 -1.129 7.531 284 H PHE 38 H PHE 38 0.065 -2.809 1.502 285 HA PHE 38 HA PHE 38 0.035 -4.073 -0.327 286 1HB PHE 38 1HB PHE 38 0.992 -6.311 1.471 287 2HB PHE 38 2HB PHE 38 1.045 -6.290 -0.287 288 HD1 PHE 38 HD1 PHE 38 2.080 -3.809 -1.074 289 HD2 PHE 38 HD2 PHE 38 3.095 -6.090 2.373 290 HE1 PHE 38 HE1 PHE 38 4.281 -2.717 -1.008 291 HE2 PHE 38 HE2 PHE 38 5.300 -5.000 2.445 292 HZ PHE 38 HZ PHE 38 5.897 -3.315 0.752 293 H ASN 39 H ASN 39 -2.268 -3.892 1.575 294 HA ASN 39 HA ASN 39 -3.668 -6.388 1.214 295 1HB ASN 39 1HB ASN 39 -4.070 -5.009 3.218 296 2HB ASN 39 2HB ASN 39 -4.681 -3.712 2.198 297 2HD2 ASN 39 2HD2 ASN 39 -6.544 -4.012 3.670 298 1HD2 ASN 39 1HD2 ASN 39 -7.745 -5.171 3.225 299 H THR 40 H THR 40 -4.435 -6.921 -0.672 300 HA THR 40 HA THR 40 -4.668 -5.199 -2.868 301 HB THR 40 HB THR 40 -5.212 -7.056 -4.089 302 HG1 THR 40 HG1 THR 40 -6.412 -8.796 -2.518 303 1HG2 THR 40 1HG2 THR 40 -3.271 -7.575 -2.543 304 2HG2 THR 40 2HG2 THR 40 -4.412 -8.528 -1.597 305 3HG2 THR 40 3HG2 THR 40 -4.081 -8.959 -3.274 306 H GLN 41 H GLN 41 -6.738 -5.896 -0.274 307 HA GLN 41 HA GLN 41 -9.045 -4.737 -1.657 308 1HB GLN 41 1HB GLN 41 -8.645 -6.824 0.386 309 2HB GLN 41 2HB GLN 41 -10.038 -5.802 0.603 310 1HG GLN 41 1HG GLN 41 -9.625 -6.906 -2.098 311 2HG GLN 41 2HG GLN 41 -10.067 -8.050 -0.831 312 2HE2 GLN 41 2HE2 GLN 41 -11.401 -6.609 -3.253 313 1HE2 GLN 41 1HE2 GLN 41 -12.951 -6.179 -2.624 314 H ALA 42 H ALA 42 -6.618 -3.708 0.254 315 HA ALA 42 HA ALA 42 -7.829 -2.461 2.436 316 1HB ALA 42 1HB ALA 42 -5.262 -2.334 1.087 317 2HB ALA 42 2HB ALA 42 -5.650 -2.253 2.806 318 3HB ALA 42 3HB ALA 42 -5.741 -0.799 1.812 319 H THR 43 H THR 43 -9.164 -0.843 2.631 320 HA THR 43 HA THR 43 -9.295 1.217 0.525 321 HB THR 43 HB THR 43 -11.610 1.303 0.620 322 HG1 THR 43 HG1 THR 43 -12.322 1.434 2.620 323 1HG2 THR 43 1HG2 THR 43 -10.951 -1.582 1.223 324 2HG2 THR 43 2HG2 THR 43 -12.488 -1.014 0.570 325 3HG2 THR 43 3HG2 THR 43 -11.006 -0.824 -0.368 326 H ASN 44 H ASN 44 -9.070 3.307 1.270 327 HA ASN 44 HA ASN 44 -9.237 3.704 4.185 328 1HB ASN 44 1HB ASN 44 -6.881 3.664 3.059 329 2HB ASN 44 2HB ASN 44 -7.318 5.275 2.499 330 2HD2 ASN 44 2HD2 ASN 44 -5.528 3.874 4.685 331 1HD2 ASN 44 1HD2 ASN 44 -5.714 4.944 6.030 332 H ARG 45 H ARG 45 -11.061 4.832 4.458 333 HA ARG 45 HA ARG 45 -11.889 6.842 2.551 334 1HB ARG 45 1HB ARG 45 -13.792 7.149 4.207 335 2HB ARG 45 2HB ARG 45 -13.667 5.569 3.447 336 1HG ARG 45 1HG ARG 45 -12.801 4.585 5.407 337 2HG ARG 45 2HG ARG 45 -12.504 6.156 6.153 338 1HD ARG 45 1HD ARG 45 -14.475 5.104 7.117 339 2HD ARG 45 2HD ARG 45 -14.913 6.569 6.240 340 HE ARG 45 HE ARG 45 -15.133 4.101 4.741 341 1HH1 ARG 45 1HH1 ARG 45 -16.740 6.467 6.731 342 2HH1 ARG 45 2HH1 ARG 45 -18.325 6.049 6.172 343 1HH2 ARG 45 1HH2 ARG 45 -17.216 3.543 4.001 344 2HH2 ARG 45 2HH2 ARG 45 -18.596 4.386 4.621 345 H ASN 46 H ASN 46 -11.447 8.935 2.658 346 HA ASN 46 HA ASN 46 -10.213 9.983 5.110 347 1HB ASN 46 1HB ASN 46 -10.198 11.430 2.482 348 2HB ASN 46 2HB ASN 46 -9.042 11.524 3.806 349 2HD2 ASN 46 2HD2 ASN 46 -7.489 9.907 4.035 350 1HD2 ASN 46 1HD2 ASN 46 -7.093 8.833 2.741 351 H THR 47 H THR 47 -10.586 12.478 5.277 352 HA THR 47 HA THR 47 -13.431 12.818 5.643 353 HB THR 47 HB THR 47 -12.789 15.020 6.641 354 HG1 THR 47 HG1 THR 47 -10.886 15.714 6.014 355 1HG2 THR 47 1HG2 THR 47 -12.807 12.701 7.833 356 2HG2 THR 47 2HG2 THR 47 -11.057 12.916 7.879 357 3HG2 THR 47 3HG2 THR 47 -12.112 14.097 8.655 358 H ASP 48 H ASP 48 -11.115 13.633 3.265 359 HA ASP 48 HA ASP 48 -12.377 15.985 2.253 360 1HB ASP 48 1HB ASP 48 -10.944 15.509 0.220 361 2HB ASP 48 2HB ASP 48 -10.074 15.707 1.738 362 H GLY 49 H GLY 49 -13.303 12.789 2.235 363 1HA GLY 49 1HA GLY 49 -15.160 13.305 0.011 364 2HA GLY 49 2HA GLY 49 -15.434 12.172 1.325 365 H SER 50 H SER 50 -12.390 12.357 -0.387 366 HA SER 50 HA SER 50 -13.022 10.218 -2.198 367 1HB SER 50 1HB SER 50 -10.357 10.324 -2.388 368 2HB SER 50 2HB SER 50 -11.401 11.508 -3.173 369 HG SER 50 HG SER 50 -9.751 12.533 -2.000 370 H THR 51 H THR 51 -11.348 8.346 -2.292 371 HA THR 51 HA THR 51 -10.734 7.326 0.386 372 HB THR 51 HB THR 51 -12.033 5.446 -1.541 373 HG1 THR 51 HG1 THR 51 -13.496 7.198 -1.379 374 1HG2 THR 51 1HG2 THR 51 -10.917 4.969 0.807 375 2HG2 THR 51 2HG2 THR 51 -12.493 5.491 1.402 376 3HG2 THR 51 3HG2 THR 51 -12.376 4.120 0.298 377 H ASP 52 H ASP 52 -9.554 5.144 0.182 378 HA ASP 52 HA ASP 52 -7.740 5.207 -2.143 379 1HB ASP 52 1HB ASP 52 -7.046 4.566 0.733 380 2HB ASP 52 2HB ASP 52 -5.936 4.467 -0.630 381 H TYR 53 H TYR 53 -9.046 3.664 -3.177 382 HA TYR 53 HA TYR 53 -9.223 1.043 -1.900 383 1HB TYR 53 1HB TYR 53 -10.357 1.939 -4.556 384 2HB TYR 53 2HB TYR 53 -10.699 0.428 -3.727 385 HD1 TYR 53 HD1 TYR 53 -11.712 0.711 -1.302 386 HD2 TYR 53 HD2 TYR 53 -11.859 3.672 -4.349 387 HE1 TYR 53 HE1 TYR 53 -13.654 1.739 -0.199 388 HE2 TYR 53 HE2 TYR 53 -13.804 4.708 -3.258 389 HH TYR 53 HH TYR 53 -14.838 4.817 -1.055 390 H GLY 54 H GLY 54 -6.866 0.598 -2.073 391 1HA GLY 54 1HA GLY 54 -5.685 0.505 -4.670 392 2HA GLY 54 2HA GLY 54 -6.221 -1.084 -4.150 393 H ILE 55 H ILE 55 -3.879 -1.579 -4.336 394 HA ILE 55 HA ILE 55 -2.654 -1.526 -1.762 395 HB ILE 55 HB ILE 55 -2.278 -3.346 -3.469 396 1HG1 ILE 55 1HG1 ILE 55 0.317 -2.052 -2.631 397 2HG1 ILE 55 2HG1 ILE 55 -0.764 -2.828 -1.478 398 1HG2 ILE 55 1HG2 ILE 55 -1.611 -1.203 -5.117 399 2HG2 ILE 55 2HG2 ILE 55 -0.091 -2.045 -4.817 400 3HG2 ILE 55 3HG2 ILE 55 -1.467 -2.921 -5.488 401 1HD1 ILE 55 1HD1 ILE 55 0.066 -4.376 -3.867 402 2HD1 ILE 55 2HD1 ILE 55 1.247 -4.115 -2.583 403 3HD1 ILE 55 3HD1 ILE 55 -0.281 -4.920 -2.226 404 H LEU 56 H LEU 56 -2.551 0.406 -4.628 405 HA LEU 56 HA LEU 56 -0.434 2.093 -3.484 406 1HB LEU 56 1HB LEU 56 -0.941 1.231 -6.164 407 2HB LEU 56 2HB LEU 56 -1.182 2.966 -6.104 408 HG LEU 56 HG LEU 56 1.073 2.835 -6.679 409 1HD1 LEU 56 1HD1 LEU 56 0.742 4.156 -4.590 410 2HD1 LEU 56 2HD1 LEU 56 1.246 2.740 -3.669 411 3HD1 LEU 56 3HD1 LEU 56 2.368 3.507 -4.792 412 1HD2 LEU 56 1HD2 LEU 56 1.209 0.393 -6.511 413 2HD2 LEU 56 2HD2 LEU 56 2.620 1.174 -5.798 414 3HD2 LEU 56 3HD2 LEU 56 1.357 0.518 -4.758 415 H GLN 57 H GLN 57 -3.566 1.773 -3.168 416 HA GLN 57 HA GLN 57 -5.230 3.106 -2.449 417 1HB GLN 57 1HB GLN 57 -3.403 5.478 -2.765 418 2HB GLN 57 2HB GLN 57 -4.789 5.313 -1.697 419 1HG GLN 57 1HG GLN 57 -2.380 3.555 -1.414 420 2HG GLN 57 2HG GLN 57 -2.449 5.157 -0.681 421 2HE2 GLN 57 2HE2 GLN 57 -4.036 2.021 -0.806 422 1HE2 GLN 57 1HE2 GLN 57 -4.724 2.098 0.776 423 H ILE 58 H ILE 58 -6.224 2.533 -4.584 424 HA ILE 58 HA ILE 58 -6.068 4.613 -6.589 425 HB ILE 58 HB ILE 58 -7.527 1.977 -6.492 426 1HG1 ILE 58 1HG1 ILE 58 -6.019 1.562 -8.490 427 2HG1 ILE 58 2HG1 ILE 58 -5.198 3.064 -8.080 428 1HG2 ILE 58 1HG2 ILE 58 -8.118 4.304 -8.099 429 2HG2 ILE 58 2HG2 ILE 58 -7.650 2.931 -9.102 430 3HG2 ILE 58 3HG2 ILE 58 -8.990 2.777 -7.967 431 1HD1 ILE 58 1HD1 ILE 58 -5.450 0.709 -6.230 432 2HD1 ILE 58 2HD1 ILE 58 -4.055 1.037 -7.258 433 3HD1 ILE 58 3HD1 ILE 58 -4.491 2.167 -5.977 434 H ASN 59 H ASN 59 -7.031 6.404 -5.813 435 HA ASN 59 HA ASN 59 -9.415 6.474 -4.329 436 1HB ASN 59 1HB ASN 59 -7.865 8.367 -4.388 437 2HB ASN 59 2HB ASN 59 -8.164 8.582 -6.111 438 2HD2 ASN 59 2HD2 ASN 59 -8.702 10.771 -5.446 439 1HD2 ASN 59 1HD2 ASN 59 -10.302 11.109 -4.891 440 H SER 60 H SER 60 -11.183 5.428 -5.160 441 HA SER 60 HA SER 60 -11.795 5.300 -7.906 442 1HB SER 60 1HB SER 60 -13.679 4.102 -7.269 443 2HB SER 60 2HB SER 60 -12.615 3.851 -5.885 444 HG SER 60 HG SER 60 -13.771 5.893 -5.111 445 H ARG 61 H ARG 61 -12.310 7.801 -5.582 446 HA ARG 61 HA ARG 61 -14.516 8.994 -7.048 447 1HB ARG 61 1HB ARG 61 -13.976 9.058 -4.450 448 2HB ARG 61 2HB ARG 61 -13.027 10.462 -4.918 449 1HG ARG 61 1HG ARG 61 -14.878 11.679 -5.539 450 2HG ARG 61 2HG ARG 61 -15.860 10.240 -5.820 451 1HD ARG 61 1HD ARG 61 -15.400 9.947 -3.200 452 2HD ARG 61 2HD ARG 61 -15.298 11.703 -3.310 453 HE ARG 61 HE ARG 61 -17.650 10.135 -4.153 454 1HH1 ARG 61 1HH1 ARG 61 -16.198 12.993 -2.784 455 2HH1 ARG 61 2HH1 ARG 61 -17.714 13.772 -2.478 456 1HH2 ARG 61 1HH2 ARG 61 -19.649 11.154 -3.752 457 2HH2 ARG 61 2HH2 ARG 61 -19.675 12.727 -3.028 458 H TRP 62 H TRP 62 -11.666 8.604 -8.070 459 HA TRP 62 HA TRP 62 -11.553 11.087 -9.499 460 1HB TRP 62 1HB TRP 62 -10.216 11.139 -7.134 461 2HB TRP 62 2HB TRP 62 -8.946 10.589 -8.222 462 HD1 TRP 62 HD1 TRP 62 -8.400 12.267 -10.352 463 HE1 TRP 62 HE1 TRP 62 -8.504 14.836 -10.467 464 HE3 TRP 62 HE3 TRP 62 -11.383 13.144 -6.292 465 HZ2 TRP 62 HZ2 TRP 62 -9.693 16.954 -9.029 466 HZ3 TRP 62 HZ3 TRP 62 -11.956 15.469 -5.731 467 HH2 TRP 62 HH2 TRP 62 -11.127 17.335 -7.071 468 H TRP 63 H TRP 63 -10.916 7.784 -9.302 469 HA TRP 63 HA TRP 63 -9.333 7.947 -11.767 470 1HB TRP 63 1HB TRP 63 -8.856 6.090 -9.433 471 2HB TRP 63 2HB TRP 63 -8.091 5.912 -11.009 472 HD1 TRP 63 HD1 TRP 63 -7.075 7.043 -7.819 473 HE1 TRP 63 HE1 TRP 63 -5.323 8.931 -7.939 474 HE3 TRP 63 HE3 TRP 63 -7.752 8.450 -12.661 475 HZ2 TRP 63 HZ2 TRP 63 -4.366 10.789 -9.859 476 HZ3 TRP 63 HZ3 TRP 63 -6.425 10.283 -13.574 477 HH2 TRP 63 HH2 TRP 63 -4.746 11.434 -12.203 478 H CYS 64 H CYS 64 -10.811 5.374 -9.808 479 HA CYS 64 HA CYS 64 -11.840 4.234 -12.294 480 1HB CYS 64 1HB CYS 64 -11.935 2.145 -11.244 481 2HB CYS 64 2HB CYS 64 -10.497 2.887 -10.557 482 H ASN 65 H ASN 65 -13.925 3.231 -12.375 483 HA ASN 65 HA ASN 65 -15.936 4.906 -11.032 484 1HB ASN 65 1HB ASN 65 -16.402 5.190 -13.254 485 2HB ASN 65 2HB ASN 65 -15.756 3.615 -13.701 486 2HD2 ASN 65 2HD2 ASN 65 -18.324 4.711 -11.504 487 1HD2 ASN 65 1HD2 ASN 65 -19.558 3.704 -12.172 488 H ASP 66 H ASP 66 -16.860 4.006 -9.331 489 HA ASP 66 HA ASP 66 -17.301 1.095 -9.313 490 1HB ASP 66 1HB ASP 66 -17.493 1.337 -6.843 491 2HB ASP 66 2HB ASP 66 -15.920 1.829 -7.463 492 H GLY 67 H GLY 67 -18.889 3.839 -10.021 493 1HA GLY 67 1HA GLY 67 -21.455 2.856 -8.927 494 2HA GLY 67 2HA GLY 67 -21.294 3.401 -10.591 495 H ARG 68 H ARG 68 -19.308 5.396 -9.109 496 HA ARG 68 HA ARG 68 -21.372 7.428 -8.666 497 1HB ARG 68 1HB ARG 68 -18.914 7.007 -6.949 498 2HB ARG 68 2HB ARG 68 -20.062 8.329 -6.783 499 1HG ARG 68 1HG ARG 68 -21.728 6.215 -6.601 500 2HG ARG 68 2HG ARG 68 -20.256 5.530 -5.909 501 1HD ARG 68 1HD ARG 68 -20.159 7.670 -4.499 502 2HD ARG 68 2HD ARG 68 -21.835 7.911 -4.989 503 HE ARG 68 HE ARG 68 -21.750 5.352 -4.027 504 1HH1 ARG 68 1HH1 ARG 68 -20.949 8.500 -2.767 505 2HH1 ARG 68 2HH1 ARG 68 -21.319 8.081 -1.129 506 1HH2 ARG 68 1HH2 ARG 68 -22.240 4.791 -1.872 507 2HH2 ARG 68 2HH2 ARG 68 -22.052 5.972 -0.620 508 H THR 69 H THR 69 -20.160 7.092 -11.022 509 HA THR 69 HA THR 69 -17.757 8.598 -11.321 510 HB THR 69 HB THR 69 -19.771 7.752 -13.409 511 HG1 THR 69 HG1 THR 69 -17.732 6.288 -13.715 512 1HG2 THR 69 1HG2 THR 69 -17.120 9.115 -13.572 513 2HG2 THR 69 2HG2 THR 69 -17.564 7.955 -14.825 514 3HG2 THR 69 3HG2 THR 69 -18.577 9.369 -14.534 515 HA PRO 70 HA PRO 70 -21.148 11.881 -13.009 516 1HB PRO 70 1HB PRO 70 -22.847 12.203 -10.777 517 2HB PRO 70 2HB PRO 70 -23.294 11.555 -12.356 518 1HG PRO 70 1HG PRO 70 -22.595 10.121 -9.847 519 2HG PRO 70 2HG PRO 70 -23.730 9.662 -11.130 520 1HD PRO 70 1HD PRO 70 -21.352 8.464 -10.885 521 2HD PRO 70 2HD PRO 70 -22.044 8.809 -12.484 522 H GLY 71 H GLY 71 -19.733 11.114 -9.954 523 1HA GLY 71 1HA GLY 71 -19.366 12.879 -8.224 524 2HA GLY 71 2HA GLY 71 -19.024 13.957 -9.572 525 H SER 72 H SER 72 -17.935 10.784 -10.046 526 HA SER 72 HA SER 72 -15.283 11.291 -8.928 527 1HB SER 72 1HB SER 72 -16.554 8.822 -10.123 528 2HB SER 72 2HB SER 72 -14.862 8.901 -9.633 529 HG SER 72 HG SER 72 -16.035 9.762 -7.562 530 H ARG 73 H ARG 73 -13.431 11.380 -10.162 531 HA ARG 73 HA ARG 73 -13.604 12.534 -12.708 532 1HB ARG 73 1HB ARG 73 -11.595 12.113 -10.839 533 2HB ARG 73 2HB ARG 73 -11.063 11.192 -12.240 534 1HG ARG 73 1HG ARG 73 -10.116 13.263 -12.601 535 2HG ARG 73 2HG ARG 73 -11.592 13.344 -13.565 536 1HD ARG 73 1HD ARG 73 -12.702 14.627 -11.884 537 2HD ARG 73 2HD ARG 73 -11.382 14.375 -10.743 538 HE ARG 73 HE ARG 73 -10.008 15.717 -12.361 539 1HH1 ARG 73 1HH1 ARG 73 -13.466 16.092 -12.146 540 2HH1 ARG 73 2HH1 ARG 73 -13.453 17.728 -12.712 541 1HH2 ARG 73 1HH2 ARG 73 -9.982 17.872 -13.108 542 2HH2 ARG 73 2HH2 ARG 73 -11.473 18.740 -13.260 543 H ASN 74 H ASN 74 -13.002 9.206 -11.716 544 HA ASN 74 HA ASN 74 -12.868 7.227 -12.870 545 1HB ASN 74 1HB ASN 74 -15.272 7.964 -13.242 546 2HB ASN 74 2HB ASN 74 -14.763 8.581 -14.810 547 2HD2 ASN 74 2HD2 ASN 74 -16.412 7.043 -15.543 548 1HD2 ASN 74 1HD2 ASN 74 -15.945 5.402 -15.810 549 H LEU 75 H LEU 75 -11.045 9.416 -13.539 550 HA LEU 75 HA LEU 75 -10.446 9.711 -16.210 551 1HB LEU 75 1HB LEU 75 -8.996 9.698 -13.629 552 2HB LEU 75 2HB LEU 75 -8.011 9.604 -15.073 553 HG LEU 75 HG LEU 75 -9.971 11.775 -14.282 554 1HD1 LEU 75 1HD1 LEU 75 -6.973 11.710 -14.579 555 2HD1 LEU 75 2HD1 LEU 75 -7.901 13.207 -14.484 556 3HD1 LEU 75 3HD1 LEU 75 -7.921 12.070 -13.136 557 1HD2 LEU 75 1HD2 LEU 75 -8.682 11.184 -16.907 558 2HD2 LEU 75 2HD2 LEU 75 -10.294 11.805 -16.551 559 3HD2 LEU 75 3HD2 LEU 75 -8.891 12.866 -16.422 560 H CYS 76 H CYS 76 -8.520 7.778 -14.121 561 HA CYS 76 HA CYS 76 -7.133 6.149 -15.632 562 1HB CYS 76 1HB CYS 76 -7.940 6.292 -13.031 563 2HB CYS 76 2HB CYS 76 -8.489 4.695 -13.515 564 H ASN 77 H ASN 77 -10.600 5.868 -15.156 565 HA ASN 77 HA ASN 77 -12.182 4.447 -15.989 566 1HB ASN 77 1HB ASN 77 -10.228 4.817 -18.226 567 2HB ASN 77 2HB ASN 77 -11.525 3.643 -18.424 568 2HD2 ASN 77 2HD2 ASN 77 -13.688 4.677 -17.436 569 1HD2 ASN 77 1HD2 ASN 77 -14.082 6.205 -18.139 570 H ILE 78 H ILE 78 -10.962 3.127 -14.168 571 HA ILE 78 HA ILE 78 -10.243 0.546 -15.362 572 HB ILE 78 HB ILE 78 -8.474 0.256 -14.012 573 1HG1 ILE 78 1HG1 ILE 78 -10.289 1.344 -11.956 574 2HG1 ILE 78 2HG1 ILE 78 -9.161 -0.001 -11.861 575 1HG2 ILE 78 1HG2 ILE 78 -8.176 2.437 -15.125 576 2HG2 ILE 78 2HG2 ILE 78 -8.771 3.229 -13.665 577 3HG2 ILE 78 3HG2 ILE 78 -7.272 2.300 -13.616 578 1HD1 ILE 78 1HD1 ILE 78 -7.322 1.678 -11.638 579 2HD1 ILE 78 2HD1 ILE 78 -8.566 2.923 -11.508 580 3HD1 ILE 78 3HD1 ILE 78 -8.471 1.643 -10.299 581 HA PRO 79 HA PRO 79 -13.479 -1.231 -12.910 582 1HB PRO 79 1HB PRO 79 -12.610 -3.769 -12.626 583 2HB PRO 79 2HB PRO 79 -13.162 -3.141 -14.184 584 1HG PRO 79 1HG PRO 79 -10.371 -3.514 -13.171 585 2HG PRO 79 2HG PRO 79 -11.033 -3.851 -14.781 586 1HD PRO 79 1HD PRO 79 -9.599 -1.602 -14.167 587 2HD PRO 79 2HD PRO 79 -10.812 -1.674 -15.458 588 H CYS 80 H CYS 80 -13.676 -0.570 -10.851 589 HA CYS 80 HA CYS 80 -11.593 -0.417 -9.002 590 1HB CYS 80 1HB CYS 80 -14.529 -0.559 -8.329 591 2HB CYS 80 2HB CYS 80 -13.252 0.208 -7.390 592 H SER 81 H SER 81 -14.382 -2.652 -8.860 593 HA SER 81 HA SER 81 -13.355 -4.205 -6.760 594 1HB SER 81 1HB SER 81 -15.091 -5.794 -7.278 595 2HB SER 81 2HB SER 81 -15.742 -4.176 -7.537 596 HG SER 81 HG SER 81 -15.437 -6.206 -9.300 597 H ALA 82 H ALA 82 -12.531 -4.186 -10.112 598 HA ALA 82 HA ALA 82 -11.376 -6.859 -10.009 599 1HB ALA 82 1HB ALA 82 -12.413 -5.290 -12.063 600 2HB ALA 82 2HB ALA 82 -11.602 -6.849 -12.219 601 3HB ALA 82 3HB ALA 82 -10.677 -5.355 -12.367 602 H LEU 83 H LEU 83 -10.466 -3.632 -9.449 603 HA LEU 83 HA LEU 83 -7.629 -4.105 -9.898 604 1HB LEU 83 1HB LEU 83 -7.364 -1.862 -9.875 605 2HB LEU 83 2HB LEU 83 -9.090 -1.865 -10.168 606 HG LEU 83 HG LEU 83 -9.085 -1.850 -7.467 607 1HD1 LEU 83 1HD1 LEU 83 -6.439 -0.888 -8.345 608 2HD1 LEU 83 2HD1 LEU 83 -7.281 0.116 -7.165 609 3HD1 LEU 83 3HD1 LEU 83 -6.945 -1.577 -6.803 610 1HD2 LEU 83 1HD2 LEU 83 -10.023 -0.250 -9.348 611 2HD2 LEU 83 2HD2 LEU 83 -9.929 0.262 -7.663 612 3HD2 LEU 83 3HD2 LEU 83 -8.689 0.772 -8.810 613 H LEU 84 H LEU 84 -9.827 -4.780 -7.562 614 HA LEU 84 HA LEU 84 -7.932 -4.482 -5.345 615 1HB LEU 84 1HB LEU 84 -10.855 -5.212 -5.234 616 2HB LEU 84 2HB LEU 84 -9.830 -4.772 -3.883 617 HG LEU 84 HG LEU 84 -10.842 -2.993 -6.082 618 1HD1 LEU 84 1HD1 LEU 84 -11.880 -3.636 -3.613 619 2HD1 LEU 84 2HD1 LEU 84 -11.056 -2.103 -3.330 620 3HD1 LEU 84 3HD1 LEU 84 -12.292 -2.221 -4.582 621 1HD2 LEU 84 1HD2 LEU 84 -8.671 -2.461 -4.064 622 2HD2 LEU 84 2HD2 LEU 84 -8.565 -2.359 -5.821 623 3HD2 LEU 84 3HD2 LEU 84 -9.534 -1.188 -4.927 624 H SER 85 H SER 85 -8.599 -6.659 -7.619 625 HA SER 85 HA SER 85 -8.959 -9.085 -6.194 626 1HB SER 85 1HB SER 85 -7.972 -8.415 -8.957 627 2HB SER 85 2HB SER 85 -7.974 -10.076 -8.363 628 HG SER 85 HG SER 85 -9.913 -9.231 -9.546 629 H SER 86 H SER 86 -7.090 -10.813 -6.915 630 HA SER 86 HA SER 86 -4.889 -10.136 -5.172 631 1HB SER 86 1HB SER 86 -6.016 -12.404 -5.228 632 2HB SER 86 2HB SER 86 -5.232 -12.670 -6.785 633 HG SER 86 HG SER 86 -4.209 -12.887 -4.295 634 H ASP 87 H ASP 87 -5.207 -8.740 -7.732 635 HA ASP 87 HA ASP 87 -2.553 -9.307 -8.854 636 1HB ASP 87 1HB ASP 87 -4.231 -10.207 -10.377 637 2HB ASP 87 2HB ASP 87 -5.071 -8.660 -10.391 638 H ILE 88 H ILE 88 -1.263 -7.583 -8.706 639 HA ILE 88 HA ILE 88 -2.339 -5.014 -7.991 640 HB ILE 88 HB ILE 88 0.231 -4.422 -8.380 641 1HG1 ILE 88 1HG1 ILE 88 0.524 -7.262 -7.487 642 2HG1 ILE 88 2HG1 ILE 88 0.437 -6.916 -9.212 643 1HG2 ILE 88 1HG2 ILE 88 -1.404 -5.185 -6.182 644 2HG2 ILE 88 2HG2 ILE 88 0.223 -5.817 -5.930 645 3HG2 ILE 88 3HG2 ILE 88 -0.019 -4.093 -6.211 646 1HD1 ILE 88 1HD1 ILE 88 2.325 -5.283 -7.643 647 2HD1 ILE 88 2HD1 ILE 88 2.723 -6.989 -7.839 648 3HD1 ILE 88 3HD1 ILE 88 2.482 -5.971 -9.259 649 H THR 89 H THR 89 -1.920 -6.537 -10.928 650 HA THR 89 HA THR 89 -0.756 -4.692 -12.599 651 HB THR 89 HB THR 89 -3.177 -6.398 -13.211 652 HG1 THR 89 HG1 THR 89 -1.191 -7.536 -14.286 653 1HG2 THR 89 1HG2 THR 89 -1.502 -4.607 -14.862 654 2HG2 THR 89 2HG2 THR 89 -1.865 -6.188 -15.551 655 3HG2 THR 89 3HG2 THR 89 -3.178 -5.110 -15.079 656 H ALA 90 H ALA 90 -4.210 -4.825 -11.685 657 HA ALA 90 HA ALA 90 -4.924 -2.550 -13.116 658 1HB ALA 90 1HB ALA 90 -6.604 -4.121 -12.565 659 2HB ALA 90 2HB ALA 90 -6.996 -2.622 -11.722 660 3HB ALA 90 3HB ALA 90 -6.265 -3.966 -10.842 661 H SER 91 H SER 91 -4.306 -2.974 -9.622 662 HA SER 91 HA SER 91 -4.748 -0.296 -8.895 663 1HB SER 91 1HB SER 91 -2.692 -1.722 -7.342 664 2HB SER 91 2HB SER 91 -4.198 -0.980 -6.805 665 HG SER 91 HG SER 91 -4.740 -3.022 -6.604 666 H VAL 92 H VAL 92 -1.950 -1.916 -10.163 667 HA VAL 92 HA VAL 92 -0.225 0.326 -9.639 668 HB VAL 92 HB VAL 92 0.259 -2.166 -11.273 669 1HG1 VAL 92 1HG1 VAL 92 2.004 0.257 -10.851 670 2HG1 VAL 92 2HG1 VAL 92 2.670 -1.320 -11.279 671 3HG1 VAL 92 3HG1 VAL 92 1.546 -0.512 -12.371 672 1HG2 VAL 92 1HG2 VAL 92 0.219 -2.007 -8.632 673 2HG2 VAL 92 2HG2 VAL 92 1.420 -2.983 -9.477 674 3HG2 VAL 92 3HG2 VAL 92 1.848 -1.378 -8.881 675 H ASN 93 H ASN 93 -1.768 -1.038 -12.546 676 HA ASN 93 HA ASN 93 -0.722 0.605 -14.402 677 1HB ASN 93 1HB ASN 93 -2.094 -0.601 -15.642 678 2HB ASN 93 2HB ASN 93 -2.921 -1.123 -14.197 679 2HD2 ASN 93 2HD2 ASN 93 -4.897 -0.310 -13.710 680 1HD2 ASN 93 1HD2 ASN 93 -5.750 0.810 -14.711 681 H CYS 94 H CYS 94 -3.357 1.219 -12.194 682 HA CYS 94 HA CYS 94 -4.054 3.758 -13.217 683 1HB CYS 94 1HB CYS 94 -5.280 2.157 -11.494 684 2HB CYS 94 2HB CYS 94 -4.426 3.156 -10.320 685 H ALA 95 H ALA 95 -1.987 2.758 -10.478 686 HA ALA 95 HA ALA 95 -1.236 5.426 -9.830 687 1HB ALA 95 1HB ALA 95 -1.009 3.446 -8.316 688 2HB ALA 95 2HB ALA 95 0.421 3.002 -9.248 689 3HB ALA 95 3HB ALA 95 0.375 4.536 -8.380 690 H LYS 96 H LYS 96 -0.074 3.072 -12.103 691 HA LYS 96 HA LYS 96 2.436 4.051 -12.722 692 1HB LYS 96 1HB LYS 96 0.313 2.620 -14.269 693 2HB LYS 96 2HB LYS 96 1.664 3.308 -15.159 694 1HG LYS 96 1HG LYS 96 3.122 2.040 -13.434 695 2HG LYS 96 2HG LYS 96 1.653 1.103 -13.147 696 1HD LYS 96 1HD LYS 96 1.689 1.033 -15.821 697 2HD LYS 96 2HD LYS 96 3.421 1.198 -15.523 698 1HE LYS 96 1HE LYS 96 3.434 -1.018 -15.250 699 2HE LYS 96 2HE LYS 96 2.651 -0.714 -13.700 700 1HZ LYS 96 1HZ LYS 96 1.074 -1.011 -16.179 701 2HZ LYS 96 2HZ LYS 96 1.559 -2.361 -15.285 702 3HZ LYS 96 3HZ LYS 96 0.565 -1.190 -14.575 703 H LYS 97 H LYS 97 -0.770 4.954 -13.660 704 HA LYS 97 HA LYS 97 -0.001 7.157 -15.363 705 1HB LYS 97 1HB LYS 97 -2.653 6.201 -14.287 706 2HB LYS 97 2HB LYS 97 -2.501 7.674 -15.232 707 1HG LYS 97 1HG LYS 97 -1.452 6.275 -17.041 708 2HG LYS 97 2HG LYS 97 -1.932 4.857 -16.107 709 1HD LYS 97 1HD LYS 97 -4.165 6.624 -16.338 710 2HD LYS 97 2HD LYS 97 -3.482 6.349 -17.940 711 1HE LYS 97 1HE LYS 97 -4.037 4.089 -16.042 712 2HE LYS 97 2HE LYS 97 -5.281 4.725 -17.118 713 1HZ LYS 97 1HZ LYS 97 -2.696 4.011 -18.289 714 2HZ LYS 97 2HZ LYS 97 -3.727 2.749 -17.831 715 3HZ LYS 97 3HZ LYS 97 -4.248 3.903 -18.952 716 H ILE 98 H ILE 98 -0.832 6.623 -12.026 717 HA ILE 98 HA ILE 98 -1.419 9.264 -11.281 718 HB ILE 98 HB ILE 98 -0.370 6.956 -9.679 719 1HG1 ILE 98 1HG1 ILE 98 -3.062 8.348 -9.718 720 2HG1 ILE 98 2HG1 ILE 98 -2.700 6.838 -10.548 721 1HG2 ILE 98 1HG2 ILE 98 -0.509 9.779 -8.971 722 2HG2 ILE 98 2HG2 ILE 98 -1.399 8.739 -7.861 723 3HG2 ILE 98 3HG2 ILE 98 0.314 8.447 -8.161 724 1HD1 ILE 98 1HD1 ILE 98 -1.977 6.104 -8.112 725 2HD1 ILE 98 2HD1 ILE 98 -3.120 7.370 -7.666 726 3HD1 ILE 98 3HD1 ILE 98 -3.650 6.015 -8.663 727 H VAL 99 H VAL 99 1.553 7.408 -11.130 728 HA VAL 99 HA VAL 99 3.184 9.584 -10.257 729 HB VAL 99 HB VAL 99 3.674 7.194 -9.766 730 1HG1 VAL 99 1HG1 VAL 99 4.271 7.127 -12.713 731 2HG1 VAL 99 2HG1 VAL 99 4.890 5.929 -11.576 732 3HG1 VAL 99 3HG1 VAL 99 3.150 6.112 -11.804 733 1HG2 VAL 99 1HG2 VAL 99 5.529 9.222 -10.672 734 2HG2 VAL 99 2HG2 VAL 99 5.640 8.128 -9.294 735 3HG2 VAL 99 3HG2 VAL 99 6.181 7.597 -10.886 736 H SER 100 H SER 100 2.088 8.470 -13.346 737 HA SER 100 HA SER 100 4.242 9.844 -14.760 738 1HB SER 100 1HB SER 100 3.532 8.751 -16.701 739 2HB SER 100 2HB SER 100 3.203 7.564 -15.438 740 HG SER 100 HG SER 100 1.028 8.822 -15.478 741 H ASP 101 H ASP 101 1.290 10.640 -13.437 742 HA ASP 101 HA ASP 101 1.013 12.921 -15.283 743 1HB ASP 101 1HB ASP 101 -0.842 10.945 -15.070 744 2HB ASP 101 2HB ASP 101 -1.429 12.080 -13.858 745 H GLY 102 H GLY 102 1.453 11.872 -12.095 746 1HA GLY 102 1HA GLY 102 0.417 13.253 -10.212 747 2HA GLY 102 2HA GLY 102 0.998 14.626 -11.140 748 H ASN 103 H ASN 103 1.647 12.835 -8.521 749 HA ASN 103 HA ASN 103 4.522 13.430 -8.682 750 1HB ASN 103 1HB ASN 103 2.717 13.164 -6.269 751 2HB ASN 103 2HB ASN 103 4.451 13.459 -6.197 752 2HD2 ASN 103 2HD2 ASN 103 5.179 15.484 -6.360 753 1HD2 ASN 103 1HD2 ASN 103 4.197 16.866 -6.691 754 H GLY 104 H GLY 104 6.007 11.957 -7.628 755 1HA GLY 104 1HA GLY 104 6.912 9.848 -7.530 756 2HA GLY 104 2HA GLY 104 5.458 9.245 -8.305 757 H MET 105 H MET 105 7.270 9.002 -5.602 758 HA MET 105 HA MET 105 5.172 7.650 -4.153 759 1HB MET 105 1HB MET 105 7.861 8.088 -2.952 760 2HB MET 105 2HB MET 105 6.848 6.651 -2.939 761 1HG MET 105 1HG MET 105 8.594 7.653 -5.167 762 2HG MET 105 2HG MET 105 8.770 6.169 -4.234 763 1HE MET 105 1HE MET 105 6.515 4.948 -3.821 764 2HE MET 105 2HE MET 105 5.080 5.305 -4.783 765 3HE MET 105 3HE MET 105 6.096 3.924 -5.196 766 H ASN 106 H ASN 106 5.715 10.749 -4.512 767 HA ASN 106 HA ASN 106 5.723 11.533 -1.714 768 1HB ASN 106 1HB ASN 106 5.451 13.503 -3.935 769 2HB ASN 106 2HB ASN 106 6.368 13.610 -2.440 770 2HD2 ASN 106 2HD2 ASN 106 8.391 12.592 -2.294 771 1HD2 ASN 106 1HD2 ASN 106 9.292 12.194 -3.714 772 H ALA 107 H ALA 107 3.572 11.236 -4.443 773 HA ALA 107 HA ALA 107 1.513 12.950 -3.685 774 1HB ALA 107 1HB ALA 107 1.924 11.023 -5.666 775 2HB ALA 107 2HB ALA 107 0.464 10.518 -4.816 776 3HB ALA 107 3HB ALA 107 0.559 12.132 -5.519 777 H TRP 108 H TRP 108 2.082 9.565 -2.815 778 HA TRP 108 HA TRP 108 -0.222 9.470 -1.102 779 1HB TRP 108 1HB TRP 108 2.041 7.499 -1.484 780 2HB TRP 108 2HB TRP 108 0.563 7.189 -0.573 781 HD1 TRP 108 HD1 TRP 108 -1.754 7.081 -2.027 782 HE1 TRP 108 HE1 TRP 108 -2.155 6.409 -4.479 783 HE3 TRP 108 HE3 TRP 108 3.026 7.513 -3.781 784 HZ2 TRP 108 HZ2 TRP 108 -0.643 6.096 -6.857 785 HZ3 TRP 108 HZ3 TRP 108 3.464 7.017 -6.146 786 HH2 TRP 108 HH2 TRP 108 1.671 6.319 -7.649 787 H VAL 109 H VAL 109 -0.301 9.575 1.061 788 HA VAL 109 HA VAL 109 1.777 11.010 2.398 789 HB VAL 109 HB VAL 109 -0.463 9.894 3.876 790 1HG1 VAL 109 1HG1 VAL 109 1.289 11.446 4.815 791 2HG1 VAL 109 2HG1 VAL 109 0.563 12.709 3.822 792 3HG1 VAL 109 3HG1 VAL 109 -0.386 11.923 5.084 793 1HG2 VAL 109 1HG2 VAL 109 -0.752 11.581 1.494 794 2HG2 VAL 109 2HG2 VAL 109 -1.916 10.502 2.262 795 3HG2 VAL 109 3HG2 VAL 109 -1.649 12.119 2.914 796 H ALA 110 H ALA 110 1.059 7.666 2.171 797 HA ALA 110 HA ALA 110 2.069 6.954 4.756 798 1HB ALA 110 1HB ALA 110 1.833 5.161 2.346 799 2HB ALA 110 2HB ALA 110 1.885 4.685 4.043 800 3HB ALA 110 3HB ALA 110 0.483 5.548 3.412 801 H TRP 111 H TRP 111 3.409 7.409 1.583 802 HA TRP 111 HA TRP 111 5.969 6.287 2.324 803 1HB TRP 111 1HB TRP 111 5.144 6.186 -0.028 804 2HB TRP 111 2HB TRP 111 5.284 7.934 -0.120 805 HD1 TRP 111 HD1 TRP 111 7.318 4.769 -0.349 806 HE1 TRP 111 HE1 TRP 111 9.748 5.350 -0.964 807 HE3 TRP 111 HE3 TRP 111 7.116 9.847 0.234 808 HZ2 TRP 111 HZ2 TRP 111 11.366 7.652 -1.175 809 HZ3 TRP 111 HZ3 TRP 111 9.150 11.163 -0.195 810 HH2 TRP 111 HH2 TRP 111 11.230 10.087 -0.884 811 H ARG 112 H ARG 112 4.412 9.435 2.141 812 HA ARG 112 HA ARG 112 6.892 10.793 2.849 813 1HB ARG 112 1HB ARG 112 4.157 11.651 2.018 814 2HB ARG 112 2HB ARG 112 5.199 12.779 2.873 815 1HG ARG 112 1HG ARG 112 6.944 12.168 1.064 816 2HG ARG 112 2HG ARG 112 5.550 11.569 0.162 817 1HD ARG 112 1HD ARG 112 5.297 13.663 -0.563 818 2HD ARG 112 2HD ARG 112 4.712 14.036 1.058 819 HE ARG 112 HE ARG 112 7.550 14.313 0.313 820 1HH1 ARG 112 1HH1 ARG 112 4.626 15.554 1.746 821 2HH1 ARG 112 2HH1 ARG 112 5.376 17.000 2.336 822 1HH2 ARG 112 1HH2 ARG 112 8.546 16.213 1.087 823 2HH2 ARG 112 2HH2 ARG 112 7.603 17.374 1.962 824 H ASN 113 H ASN 113 6.210 9.042 4.781 825 HA ASN 113 HA ASN 113 5.698 10.799 7.018 826 1HB ASN 113 1HB ASN 113 3.458 9.779 6.160 827 2HB ASN 113 2HB ASN 113 4.039 8.298 6.913 828 2HD2 ASN 113 2HD2 ASN 113 1.905 10.482 7.452 829 1HD2 ASN 113 1HD2 ASN 113 2.059 10.752 9.152 830 H ARG 114 H ARG 114 5.857 7.337 6.231 831 HA ARG 114 HA ARG 114 7.888 7.043 8.344 832 1HB ARG 114 1HB ARG 114 5.582 5.374 7.522 833 2HB ARG 114 2HB ARG 114 7.036 4.532 8.026 834 1HG ARG 114 1HG ARG 114 6.258 4.735 10.100 835 2HG ARG 114 2HG ARG 114 6.711 6.437 9.983 836 1HD ARG 114 1HD ARG 114 4.580 7.112 9.904 837 2HD ARG 114 2HD ARG 114 4.132 5.845 8.762 838 HE ARG 114 HE ARG 114 3.869 4.354 10.666 839 1HH1 ARG 114 1HH1 ARG 114 4.042 7.770 11.332 840 2HH1 ARG 114 2HH1 ARG 114 3.229 7.646 12.855 841 1HH2 ARG 114 1HH2 ARG 114 2.798 4.181 12.672 842 2HH2 ARG 114 2HH2 ARG 114 2.522 5.605 13.617 843 H CYS 115 H CYS 115 7.754 7.315 5.132 844 HA CYS 115 HA CYS 115 9.759 5.208 4.669 845 1HB CYS 115 1HB CYS 115 7.760 6.495 2.833 846 2HB CYS 115 2HB CYS 115 9.176 5.664 2.199 847 H LYS 116 H LYS 116 8.955 8.554 3.725 848 HA LYS 116 HA LYS 116 11.388 9.134 2.479 849 1HB LYS 116 1HB LYS 116 9.227 10.480 2.426 850 2HB LYS 116 2HB LYS 116 9.714 11.143 3.980 851 1HG LYS 116 1HG LYS 116 11.948 11.489 2.394 852 2HG LYS 116 2HG LYS 116 10.597 11.827 1.308 853 1HD LYS 116 1HD LYS 116 9.955 13.090 3.721 854 2HD LYS 116 2HD LYS 116 11.667 13.425 3.453 855 1HE LYS 116 1HE LYS 116 10.951 14.026 1.055 856 2HE LYS 116 2HE LYS 116 9.319 14.102 1.716 857 1HZ LYS 116 1HZ LYS 116 10.814 15.559 3.468 858 2HZ LYS 116 2HZ LYS 116 11.468 15.974 1.963 859 3HZ LYS 116 3HZ LYS 116 9.815 16.187 2.254 860 H GLY 117 H GLY 117 13.157 8.439 3.647 861 1HA GLY 117 1HA GLY 117 13.576 9.741 6.261 862 2HA GLY 117 2HA GLY 117 14.818 9.782 5.020 863 H THR 118 H THR 118 13.584 6.851 4.517 864 HA THR 118 HA THR 118 15.297 5.585 6.550 865 HB THR 118 HB THR 118 13.878 3.576 6.345 866 HG1 THR 118 HG1 THR 118 11.851 3.838 5.228 867 1HG2 THR 118 1HG2 THR 118 13.367 5.803 7.806 868 2HG2 THR 118 2HG2 THR 118 11.846 5.623 6.933 869 3HG2 THR 118 3HG2 THR 118 12.447 4.303 7.934 870 H ASP 119 H ASP 119 14.848 2.983 5.119 871 HA ASP 119 HA ASP 119 16.475 3.452 2.733 872 1HB ASP 119 1HB ASP 119 17.663 2.614 4.887 873 2HB ASP 119 2HB ASP 119 17.018 1.081 4.347 874 H VAL 120 H VAL 120 14.916 3.030 1.256 875 HA VAL 120 HA VAL 120 13.095 0.860 1.439 876 HB VAL 120 HB VAL 120 12.602 1.381 -0.957 877 1HG1 VAL 120 1HG1 VAL 120 11.570 2.540 1.063 878 2HG1 VAL 120 2HG1 VAL 120 12.630 3.897 0.685 879 3HG1 VAL 120 3HG1 VAL 120 11.429 3.362 -0.490 880 1HG2 VAL 120 1HG2 VAL 120 14.954 2.167 -1.441 881 2HG2 VAL 120 2HG2 VAL 120 13.660 3.180 -2.081 882 3HG2 VAL 120 3HG2 VAL 120 14.528 3.671 -0.626 883 H GLN 121 H GLN 121 16.218 1.361 -0.092 884 HA GLN 121 HA GLN 121 16.273 -0.919 -1.724 885 1HB GLN 121 1HB GLN 121 18.199 1.020 -0.697 886 2HB GLN 121 2HB GLN 121 18.891 -0.588 -0.853 887 1HG GLN 121 1HG GLN 121 18.016 -0.615 -3.211 888 2HG GLN 121 2HG GLN 121 17.636 1.095 -3.001 889 2HE2 GLN 121 2HE2 GLN 121 19.086 2.288 -3.992 890 1HE2 GLN 121 1HE2 GLN 121 20.794 2.023 -4.004 891 H ALA 122 H ALA 122 16.478 -0.493 1.664 892 HA ALA 122 HA ALA 122 17.597 -3.134 2.154 893 1HB ALA 122 1HB ALA 122 17.139 -0.702 3.744 894 2HB ALA 122 2HB ALA 122 16.888 -2.221 4.605 895 3HB ALA 122 3HB ALA 122 18.439 -1.892 3.832 896 H TRP 123 H TRP 123 14.534 -1.549 1.916 897 HA TRP 123 HA TRP 123 12.974 -3.220 3.553 898 1HB TRP 123 1HB TRP 123 12.437 -1.390 1.273 899 2HB TRP 123 2HB TRP 123 11.183 -2.557 1.680 900 HD1 TRP 123 HD1 TRP 123 11.735 0.851 2.279 901 HE1 TRP 123 HE1 TRP 123 10.842 1.650 4.558 902 HE3 TRP 123 HE3 TRP 123 11.223 -3.650 4.616 903 HZ2 TRP 123 HZ2 TRP 123 10.038 0.489 6.991 904 HZ3 TRP 123 HZ3 TRP 123 10.389 -3.729 6.909 905 HH2 TRP 123 HH2 TRP 123 9.803 -1.677 8.086 906 H ILE 124 H ILE 124 14.588 -3.884 0.639 907 HA ILE 124 HA ILE 124 13.092 -6.409 0.360 908 HB ILE 124 HB ILE 124 13.837 -6.311 -2.086 909 1HG1 ILE 124 1HG1 ILE 124 13.698 -3.354 -1.884 910 2HG1 ILE 124 2HG1 ILE 124 15.201 -4.106 -1.358 911 1HG2 ILE 124 1HG2 ILE 124 11.536 -5.434 -0.757 912 2HG2 ILE 124 2HG2 ILE 124 11.860 -4.233 -2.007 913 3HG2 ILE 124 3HG2 ILE 124 11.681 -5.933 -2.442 914 1HD1 ILE 124 1HD1 ILE 124 13.927 -4.522 -4.051 915 2HD1 ILE 124 2HD1 ILE 124 15.238 -3.391 -3.711 916 3HD1 ILE 124 3HD1 ILE 124 15.496 -5.125 -3.516 917 H ARG 125 H ARG 125 15.728 -5.322 1.593 918 HA ARG 125 HA ARG 125 17.862 -6.626 0.273 919 1HB ARG 125 1HB ARG 125 17.961 -4.782 2.064 920 2HB ARG 125 2HB ARG 125 17.786 -6.083 3.233 921 1HG ARG 125 1HG ARG 125 19.812 -7.146 2.187 922 2HG ARG 125 2HG ARG 125 20.028 -5.648 1.279 923 1HD ARG 125 1HD ARG 125 20.338 -4.389 3.270 924 2HD ARG 125 2HD ARG 125 19.815 -5.736 4.280 925 HE ARG 125 HE ARG 125 22.374 -5.564 2.840 926 1HH1 ARG 125 1HH1 ARG 125 20.341 -7.007 5.275 927 2HH1 ARG 125 2HH1 ARG 125 21.626 -7.927 5.985 928 1HH2 ARG 125 1HH2 ARG 125 24.071 -6.771 3.769 929 2HH2 ARG 125 2HH2 ARG 125 23.745 -7.793 5.130 930 H GLY 126 H GLY 126 17.351 -8.746 -0.206 931 1HA GLY 126 1HA GLY 126 16.944 -10.527 2.117 932 2HA GLY 126 2HA GLY 126 18.093 -10.910 0.845 933 H CYS 127 H CYS 127 15.426 -9.392 -0.475 934 HA CYS 127 HA CYS 127 13.556 -11.467 -0.601 935 1HB CYS 127 1HB CYS 127 13.994 -8.944 -1.981 936 2HB CYS 127 2HB CYS 127 12.956 -10.092 -2.800 937 H ARG 128 H ARG 128 12.854 -12.020 -3.102 938 HA ARG 128 HA ARG 128 15.238 -13.214 -4.354 939 1HB ARG 128 1HB ARG 128 12.534 -14.547 -4.161 940 2HB ARG 128 2HB ARG 128 14.011 -15.239 -4.818 941 1HG ARG 128 1HG ARG 128 14.320 -16.143 -2.816 942 2HG ARG 128 2HG ARG 128 14.728 -14.519 -2.255 943 1HD ARG 128 1HD ARG 128 12.677 -14.193 -1.281 944 2HD ARG 128 2HD ARG 128 11.860 -15.307 -2.376 945 HE ARG 128 HE ARG 128 13.717 -16.382 -0.382 946 1HH1 ARG 128 1HH1 ARG 128 10.463 -15.995 -1.568 947 2HH1 ARG 128 2HH1 ARG 128 9.811 -17.247 -0.565 948 1HH2 ARG 128 1HH2 ARG 128 12.867 -18.032 0.942 949 2HH2 ARG 128 2HH2 ARG 128 11.177 -18.404 0.862 950 H LEU 129 H LEU 129 15.173 -11.348 -5.759 951 HA LEU 129 HA LEU 129 13.581 -11.852 -8.110 952 1HB LEU 129 1HB LEU 129 12.727 -9.502 -8.207 953 2HB LEU 129 2HB LEU 129 11.984 -10.509 -6.979 954 HG LEU 129 HG LEU 129 14.207 -9.148 -5.810 955 1HD1 LEU 129 1HD1 LEU 129 12.517 -7.529 -7.634 956 2HD1 LEU 129 2HD1 LEU 129 12.939 -6.842 -6.065 957 3HD1 LEU 129 3HD1 LEU 129 14.211 -7.333 -7.183 958 1HD2 LEU 129 1HD2 LEU 129 11.262 -9.342 -5.437 959 2HD2 LEU 129 2HD2 LEU 129 12.571 -9.757 -4.332 960 3HD2 LEU 129 3HD2 LEU 129 12.139 -8.068 -4.590 No H/Q in entry = 960 Start of MODEL 39 1 H1 LYS 1 H1 LYS 1 -6.501 -9.972 2.380 2 H2 LYS 1 H2 LYS 1 -7.532 -10.764 1.298 3 H3 LYS 1 H3 LYS 1 -7.070 -11.524 2.736 4 HA LYS 1 HA LYS 1 -5.076 -12.157 1.964 5 1HB LYS 1 1HB LYS 1 -7.067 -12.629 0.264 6 2HB LYS 1 2HB LYS 1 -6.091 -11.615 -0.789 7 1HG LYS 1 1HG LYS 1 -4.574 -13.707 0.574 8 2HG LYS 1 2HG LYS 1 -5.830 -14.311 -0.510 9 1HD LYS 1 1HD LYS 1 -4.912 -12.854 -2.298 10 2HD LYS 1 2HD LYS 1 -3.604 -12.398 -1.206 11 1HE LYS 1 1HE LYS 1 -4.170 -15.273 -1.836 12 2HE LYS 1 2HE LYS 1 -3.188 -14.283 -2.915 13 1HZ LYS 1 1HZ LYS 1 -2.577 -14.464 -0.031 14 2HZ LYS 1 2HZ LYS 1 -2.008 -15.629 -1.117 15 3HZ LYS 1 3HZ LYS 1 -1.557 -14.010 -1.302 16 H VAL 2 H VAL 2 -3.482 -10.708 2.477 17 HA VAL 2 HA VAL 2 -3.023 -8.389 0.779 18 HB VAL 2 HB VAL 2 -1.700 -9.352 3.314 19 1HG1 VAL 2 1HG1 VAL 2 -0.292 -8.031 1.444 20 2HG1 VAL 2 2HG1 VAL 2 -1.040 -6.668 2.274 21 3HG1 VAL 2 3HG1 VAL 2 -0.045 -7.810 3.175 22 1HG2 VAL 2 1HG2 VAL 2 -3.827 -7.468 2.648 23 2HG2 VAL 2 2HG2 VAL 2 -3.453 -8.261 4.179 24 3HG2 VAL 2 3HG2 VAL 2 -2.590 -6.796 3.709 25 H PHE 3 H PHE 3 -1.074 -8.013 -0.363 26 HA PHE 3 HA PHE 3 0.044 -10.256 -1.671 27 1HB PHE 3 1HB PHE 3 0.550 -7.309 -1.643 28 2HB PHE 3 2HB PHE 3 1.768 -8.362 -2.346 29 HD1 PHE 3 HD1 PHE 3 1.184 -9.767 -4.306 30 HD2 PHE 3 HD2 PHE 3 -1.437 -6.792 -2.769 31 HE1 PHE 3 HE1 PHE 3 -0.051 -9.761 -6.431 32 HE2 PHE 3 HE2 PHE 3 -2.677 -6.777 -4.888 33 HZ PHE 3 HZ PHE 3 -1.984 -8.266 -6.727 34 H GLY 4 H GLY 4 2.380 -10.642 -1.778 35 1HA GLY 4 1HA GLY 4 4.092 -11.655 -0.507 36 2HA GLY 4 2HA GLY 4 3.520 -10.777 0.908 37 H ARG 5 H ARG 5 5.705 -10.117 1.342 38 HA ARG 5 HA ARG 5 6.343 -7.567 0.483 39 1HB ARG 5 1HB ARG 5 7.763 -9.706 1.945 40 2HB ARG 5 2HB ARG 5 8.794 -8.500 1.188 41 1HG ARG 5 1HG ARG 5 7.776 -6.738 2.421 42 2HG ARG 5 2HG ARG 5 6.513 -7.814 3.023 43 1HD ARG 5 1HD ARG 5 8.677 -9.142 3.884 44 2HD ARG 5 2HD ARG 5 9.322 -7.501 3.893 45 HE ARG 5 HE ARG 5 6.862 -7.394 5.159 46 1HH1 ARG 5 1HH1 ARG 5 9.939 -8.958 5.644 47 2HH1 ARG 5 2HH1 ARG 5 9.793 -8.993 7.369 48 1HH2 ARG 5 1HH2 ARG 5 6.664 -7.436 7.429 49 2HH2 ARG 5 2HH2 ARG 5 7.932 -8.128 8.385 50 H CYS 6 H CYS 6 8.149 -10.506 -0.458 51 HA CYS 6 HA CYS 6 9.234 -9.064 -2.710 52 1HB CYS 6 1HB CYS 6 9.592 -12.009 -2.336 53 2HB CYS 6 2HB CYS 6 10.689 -10.813 -3.022 54 H GLU 7 H GLU 7 6.815 -11.554 -2.123 55 HA GLU 7 HA GLU 7 6.385 -12.525 -4.662 56 1HB GLU 7 1HB GLU 7 4.230 -11.722 -2.689 57 2HB GLU 7 2HB GLU 7 4.029 -12.839 -4.032 58 1HG GLU 7 1HG GLU 7 5.491 -14.430 -3.016 59 2HG GLU 7 2HG GLU 7 5.936 -13.287 -1.750 60 H LEU 8 H LEU 8 5.008 -9.604 -3.214 61 HA LEU 8 HA LEU 8 3.773 -8.683 -5.577 62 1HB LEU 8 1HB LEU 8 2.924 -7.614 -3.714 63 2HB LEU 8 2HB LEU 8 4.501 -7.441 -2.963 64 HG LEU 8 HG LEU 8 4.718 -5.855 -5.215 65 1HD1 LEU 8 1HD1 LEU 8 1.963 -5.498 -4.054 66 2HD1 LEU 8 2HD1 LEU 8 2.755 -4.400 -5.184 67 3HD1 LEU 8 3HD1 LEU 8 2.350 -6.041 -5.687 68 1HD2 LEU 8 1HD2 LEU 8 4.718 -5.573 -2.379 69 2HD2 LEU 8 2HD2 LEU 8 5.510 -4.574 -3.597 70 3HD2 LEU 8 3HD2 LEU 8 3.859 -4.209 -3.096 71 H ALA 9 H ALA 9 6.993 -8.086 -4.109 72 HA ALA 9 HA ALA 9 7.821 -6.068 -5.843 73 1HB ALA 9 1HB ALA 9 9.151 -8.004 -4.089 74 2HB ALA 9 2HB ALA 9 9.384 -6.263 -4.255 75 3HB ALA 9 3HB ALA 9 10.141 -7.368 -5.402 76 H ALA 10 H ALA 10 8.319 -9.591 -6.204 77 HA ALA 10 HA ALA 10 9.653 -9.589 -8.612 78 1HB ALA 10 1HB ALA 10 7.966 -11.768 -8.820 79 2HB ALA 10 2HB ALA 10 9.548 -11.748 -8.041 80 3HB ALA 10 3HB ALA 10 8.089 -11.503 -7.080 81 H ALA 11 H ALA 11 6.185 -9.386 -7.958 82 HA ALA 11 HA ALA 11 5.387 -9.401 -10.666 83 1HB ALA 11 1HB ALA 11 3.565 -9.877 -9.409 84 2HB ALA 11 2HB ALA 11 4.086 -8.829 -8.090 85 3HB ALA 11 3HB ALA 11 3.333 -8.132 -9.525 86 H MET 12 H MET 12 6.179 -6.915 -8.437 87 HA MET 12 HA MET 12 5.440 -4.670 -9.955 88 1HB MET 12 1HB MET 12 7.770 -4.757 -8.052 89 2HB MET 12 2HB MET 12 6.792 -3.371 -8.472 90 1HG MET 12 1HG MET 12 5.308 -5.608 -7.308 91 2HG MET 12 2HG MET 12 6.479 -4.846 -6.234 92 1HE MET 12 1HE MET 12 6.324 -1.912 -7.731 93 2HE MET 12 2HE MET 12 5.233 -1.064 -6.633 94 3HE MET 12 3HE MET 12 6.521 -2.081 -5.986 95 H LYS 13 H LYS 13 8.569 -6.325 -9.652 96 HA LYS 13 HA LYS 13 10.074 -4.725 -11.342 97 1HB LYS 13 1HB LYS 13 10.814 -6.732 -9.901 98 2HB LYS 13 2HB LYS 13 10.357 -7.725 -11.279 99 1HG LYS 13 1HG LYS 13 11.917 -5.968 -12.538 100 2HG LYS 13 2HG LYS 13 12.648 -5.890 -10.933 101 1HD LYS 13 1HD LYS 13 12.401 -8.563 -11.228 102 2HD LYS 13 2HD LYS 13 12.634 -8.078 -12.909 103 1HE LYS 13 1HE LYS 13 14.607 -6.686 -11.986 104 2HE LYS 13 2HE LYS 13 14.467 -7.722 -10.567 105 1HZ LYS 13 1HZ LYS 13 14.667 -9.648 -12.115 106 2HZ LYS 13 2HZ LYS 13 15.043 -8.558 -13.353 107 3HZ LYS 13 3HZ LYS 13 16.058 -8.691 -12.007 108 H ARG 14 H ARG 14 7.983 -7.471 -12.055 109 HA ARG 14 HA ARG 14 8.451 -7.520 -14.841 110 1HB ARG 14 1HB ARG 14 7.051 -9.087 -13.045 111 2HB ARG 14 2HB ARG 14 5.773 -8.361 -14.008 112 1HG ARG 14 1HG ARG 14 6.271 -9.581 -15.816 113 2HG ARG 14 2HG ARG 14 8.011 -9.410 -15.576 114 1HD ARG 14 1HD ARG 14 7.766 -11.651 -15.184 115 2HD ARG 14 2HD ARG 14 7.559 -11.024 -13.550 116 HE ARG 14 HE ARG 14 5.130 -11.357 -15.099 117 1HH1 ARG 14 1HH1 ARG 14 7.319 -12.704 -12.747 118 2HH1 ARG 14 2HH1 ARG 14 6.150 -13.810 -12.103 119 1HH2 ARG 14 1HH2 ARG 14 3.585 -12.808 -14.259 120 2HH2 ARG 14 2HH2 ARG 14 4.029 -13.869 -12.963 121 H HIS 15 H HIS 15 6.137 -5.822 -12.767 122 HA HIS 15 HA HIS 15 4.632 -4.744 -14.918 123 1HB HIS 15 1HB HIS 15 4.795 -4.174 -11.969 124 2HB HIS 15 2HB HIS 15 3.762 -3.233 -13.039 125 HD1 HIS 15 HD1 HIS 15 2.058 -4.417 -11.147 126 HD2 HIS 15 HD2 HIS 15 3.510 -6.752 -14.262 127 HE1 HIS 15 HE1 HIS 15 0.492 -6.375 -11.303 128 HE2 HIS 15 HE2 HIS 15 1.338 -7.730 -13.251 129 H GLY 16 H GLY 16 7.743 -3.968 -13.789 130 1HA GLY 16 1HA GLY 16 7.688 -1.587 -15.376 131 2HA GLY 16 2HA GLY 16 9.089 -2.339 -14.645 132 H LEU 17 H LEU 17 7.603 -2.161 -11.874 133 HA LEU 17 HA LEU 17 7.505 0.698 -11.578 134 1HB LEU 17 1HB LEU 17 7.585 -1.176 -9.254 135 2HB LEU 17 2HB LEU 17 6.795 0.380 -9.379 136 HG LEU 17 HG LEU 17 5.787 -2.292 -9.971 137 1HD1 LEU 17 1HD1 LEU 17 5.026 -0.098 -8.503 138 2HD1 LEU 17 2HD1 LEU 17 3.917 -0.059 -9.873 139 3HD1 LEU 17 3HD1 LEU 17 4.017 -1.501 -8.861 140 1HD2 LEU 17 1HD2 LEU 17 5.479 -0.108 -12.001 141 2HD2 LEU 17 2HD2 LEU 17 5.766 -1.830 -12.249 142 3HD2 LEU 17 3HD2 LEU 17 4.178 -1.267 -11.729 143 H ASP 18 H ASP 18 9.892 -1.522 -11.715 144 HA ASP 18 HA ASP 18 11.710 -0.382 -9.798 145 1HB ASP 18 1HB ASP 18 12.065 -2.683 -10.302 146 2HB ASP 18 2HB ASP 18 12.057 -2.380 -12.035 147 H ASN 19 H ASN 19 11.776 1.789 -10.291 148 HA ASN 19 HA ASN 19 12.916 3.603 -11.131 149 1HB ASN 19 1HB ASN 19 13.721 1.829 -13.452 150 2HB ASN 19 2HB ASN 19 14.318 3.455 -13.133 151 2HD2 ASN 19 2HD2 ASN 19 15.470 0.605 -13.202 152 1HD2 ASN 19 1HD2 ASN 19 16.446 0.542 -11.777 153 H TYR 20 H TYR 20 10.238 3.011 -11.383 154 HA TYR 20 HA TYR 20 9.415 3.697 -14.092 155 1HB TYR 20 1HB TYR 20 8.210 2.009 -12.606 156 2HB TYR 20 2HB TYR 20 7.586 3.396 -11.719 157 HD1 TYR 20 HD1 TYR 20 7.738 1.896 -15.121 158 HD2 TYR 20 HD2 TYR 20 5.681 4.522 -12.483 159 HE1 TYR 20 HE1 TYR 20 5.929 2.124 -16.770 160 HE2 TYR 20 HE2 TYR 20 3.864 4.757 -14.123 161 HH TYR 20 HH TYR 20 3.571 4.514 -16.593 162 H ARG 21 H ARG 21 9.085 5.705 -14.764 163 HA ARG 21 HA ARG 21 8.837 7.968 -14.761 164 1HB ARG 21 1HB ARG 21 7.073 7.038 -12.584 165 2HB ARG 21 2HB ARG 21 7.548 8.728 -12.480 166 1HG ARG 21 1HG ARG 21 6.307 7.461 -14.911 167 2HG ARG 21 2HG ARG 21 5.413 8.354 -13.679 168 1HD ARG 21 1HD ARG 21 5.776 10.044 -15.162 169 2HD ARG 21 2HD ARG 21 7.250 10.187 -14.206 170 HE ARG 21 HE ARG 21 7.410 8.473 -16.541 171 1HH1 ARG 21 1HH1 ARG 21 7.951 11.633 -15.178 172 2HH1 ARG 21 2HH1 ARG 21 9.099 12.100 -16.387 173 1HH2 ARG 21 1HH2 ARG 21 8.921 9.078 -18.137 174 2HH2 ARG 21 2HH2 ARG 21 9.650 10.648 -18.070 175 H GLY 22 H GLY 22 10.918 6.431 -13.264 176 1HA GLY 22 1HA GLY 22 12.165 8.758 -12.000 177 2HA GLY 22 2HA GLY 22 13.006 7.337 -12.590 178 H TYR 23 H TYR 23 10.497 5.997 -10.905 179 HA TYR 23 HA TYR 23 12.014 6.201 -8.403 180 1HB TYR 23 1HB TYR 23 9.110 6.017 -8.943 181 2HB TYR 23 2HB TYR 23 9.718 5.201 -7.502 182 HD1 TYR 23 HD1 TYR 23 11.563 6.768 -6.216 183 HD2 TYR 23 HD2 TYR 23 8.300 8.146 -8.573 184 HE1 TYR 23 HE1 TYR 23 11.614 8.914 -5.017 185 HE2 TYR 23 HE2 TYR 23 8.341 10.296 -7.378 186 HH TYR 23 HH TYR 23 10.268 11.635 -6.061 187 H SER 24 H SER 24 13.011 4.534 -7.605 188 HA SER 24 HA SER 24 13.045 2.061 -9.022 189 1HB SER 24 1HB SER 24 14.748 1.389 -7.439 190 2HB SER 24 2HB SER 24 15.050 3.060 -7.918 191 HG SER 24 HG SER 24 14.421 3.754 -5.968 192 H LEU 25 H LEU 25 12.739 -0.012 -8.029 193 HA LEU 25 HA LEU 25 10.237 -0.576 -7.189 194 1HB LEU 25 1HB LEU 25 12.815 -1.940 -7.123 195 2HB LEU 25 2HB LEU 25 11.700 -2.516 -5.899 196 HG LEU 25 HG LEU 25 10.921 -2.310 -8.794 197 1HD1 LEU 25 1HD1 LEU 25 12.507 -4.395 -7.388 198 2HD1 LEU 25 2HD1 LEU 25 11.307 -4.906 -8.575 199 3HD1 LEU 25 3HD1 LEU 25 12.614 -3.823 -9.053 200 1HD2 LEU 25 1HD2 LEU 25 9.821 -3.737 -6.387 201 2HD2 LEU 25 2HD2 LEU 25 9.041 -2.499 -7.372 202 3HD2 LEU 25 3HD2 LEU 25 9.323 -4.108 -8.038 203 H GLY 26 H GLY 26 13.011 -0.283 -4.947 204 1HA GLY 26 1HA GLY 26 13.083 0.457 -2.770 205 2HA GLY 26 2HA GLY 26 11.832 -0.753 -2.558 206 H ASN 27 H ASN 27 11.588 2.307 -4.336 207 HA ASN 27 HA ASN 27 10.289 3.730 -2.265 208 1HB ASN 27 1HB ASN 27 10.316 4.171 -5.252 209 2HB ASN 27 2HB ASN 27 9.628 5.305 -4.094 210 2HD2 ASN 27 2HD2 ASN 27 12.622 3.496 -4.683 211 1HD2 ASN 27 1HD2 ASN 27 13.686 4.777 -4.221 212 H TRP 28 H TRP 28 9.126 1.633 -4.797 213 HA TRP 28 HA TRP 28 6.362 2.316 -4.458 214 1HB TRP 28 1HB TRP 28 7.608 -0.028 -5.889 215 2HB TRP 28 2HB TRP 28 5.932 0.509 -6.032 216 HD1 TRP 28 HD1 TRP 28 9.430 1.305 -7.213 217 HE1 TRP 28 HE1 TRP 28 9.330 3.167 -8.971 218 HE3 TRP 28 HE3 TRP 28 4.513 2.559 -6.760 219 HZ2 TRP 28 HZ2 TRP 28 7.442 4.957 -10.047 220 HZ3 TRP 28 HZ3 TRP 28 3.596 4.340 -8.178 221 HH2 TRP 28 HH2 TRP 28 5.032 5.525 -9.800 222 H VAL 29 H VAL 29 8.532 -0.150 -3.177 223 HA VAL 29 HA VAL 29 6.455 -1.765 -2.103 224 HB VAL 29 HB VAL 29 9.388 -1.597 -1.397 225 1HG1 VAL 29 1HG1 VAL 29 7.237 -3.495 -0.509 226 2HG1 VAL 29 2HG1 VAL 29 8.944 -3.940 -0.491 227 3HG1 VAL 29 3HG1 VAL 29 8.376 -2.579 0.477 228 1HG2 VAL 29 1HG2 VAL 29 7.820 -3.170 -3.388 229 2HG2 VAL 29 2HG2 VAL 29 9.385 -2.375 -3.560 230 3HG2 VAL 29 3HG2 VAL 29 9.258 -3.887 -2.661 231 H CYS 30 H CYS 30 8.692 0.608 -0.688 232 HA CYS 30 HA CYS 30 7.709 0.458 1.925 233 1HB CYS 30 1HB CYS 30 9.846 1.581 1.121 234 2HB CYS 30 2HB CYS 30 8.842 2.953 0.666 235 H ALA 31 H ALA 31 6.799 2.624 -0.759 236 HA ALA 31 HA ALA 31 4.955 4.177 0.668 237 1HB ALA 31 1HB ALA 31 5.654 3.729 -2.133 238 2HB ALA 31 2HB ALA 31 3.966 4.172 -1.881 239 3HB ALA 31 3HB ALA 31 5.252 5.224 -1.288 240 H ALA 32 H ALA 32 4.503 1.236 -1.266 241 HA ALA 32 HA ALA 32 1.696 1.109 -0.922 242 1HB ALA 32 1HB ALA 32 2.195 -0.211 -2.669 243 2HB ALA 32 2HB ALA 32 2.371 -1.460 -1.437 244 3HB ALA 32 3HB ALA 32 3.794 -0.614 -2.042 245 H LYS 33 H LYS 33 4.401 -0.423 0.804 246 HA LYS 33 HA LYS 33 3.051 -2.172 2.423 247 1HB LYS 33 1HB LYS 33 5.542 -1.850 2.244 248 2HB LYS 33 2HB LYS 33 5.375 -0.477 3.328 249 1HG LYS 33 1HG LYS 33 4.083 -2.820 4.406 250 2HG LYS 33 2HG LYS 33 5.780 -3.129 4.033 251 1HD LYS 33 1HD LYS 33 6.104 -0.797 5.227 252 2HD LYS 33 2HD LYS 33 4.571 -1.233 5.985 253 1HE LYS 33 1HE LYS 33 5.593 -3.400 6.657 254 2HE LYS 33 2HE LYS 33 7.134 -2.821 6.024 255 1HZ LYS 33 1HZ LYS 33 6.160 -0.853 7.724 256 2HZ LYS 33 2HZ LYS 33 5.964 -2.324 8.537 257 3HZ LYS 33 3HZ LYS 33 7.492 -1.866 7.973 258 H PHE 34 H PHE 34 3.889 1.195 3.287 259 HA PHE 34 HA PHE 34 2.292 1.056 5.630 260 1HB PHE 34 1HB PHE 34 3.975 3.058 4.370 261 2HB PHE 34 2HB PHE 34 2.722 3.680 5.425 262 HD1 PHE 34 HD1 PHE 34 2.694 2.997 7.809 263 HD2 PHE 34 HD2 PHE 34 5.909 1.991 5.209 264 HE1 PHE 34 HE1 PHE 34 4.111 2.505 9.759 265 HE2 PHE 34 HE2 PHE 34 7.332 1.495 7.154 266 HZ PHE 34 HZ PHE 34 6.434 1.753 9.433 267 H GLU 35 H GLU 35 1.685 2.030 2.373 268 HA GLU 35 HA GLU 35 -0.528 3.695 2.824 269 1HB GLU 35 1HB GLU 35 0.771 2.370 0.580 270 2HB GLU 35 2HB GLU 35 -0.975 2.434 0.391 271 1HG GLU 35 1HG GLU 35 -1.013 4.759 0.388 272 2HG GLU 35 2HG GLU 35 0.584 4.879 1.127 273 H SER 36 H SER 36 -0.403 0.273 1.872 274 HA SER 36 HA SER 36 -3.063 -0.090 3.092 275 1HB SER 36 1HB SER 36 -3.566 -1.643 1.156 276 2HB SER 36 2HB SER 36 -3.448 0.064 0.732 277 HG SER 36 HG SER 36 -1.238 -1.683 0.545 278 H ASN 37 H ASN 37 0.055 -1.028 3.300 279 HA ASN 37 HA ASN 37 1.127 -2.826 4.217 280 1HB ASN 37 1HB ASN 37 -1.643 -3.065 5.264 281 2HB ASN 37 2HB ASN 37 -0.636 -4.506 5.378 282 2HD2 ASN 37 2HD2 ASN 37 -1.706 -2.233 7.227 283 1HD2 ASN 37 1HD2 ASN 37 -0.336 -1.889 8.222 284 H PHE 38 H PHE 38 0.065 -2.828 1.522 285 HA PHE 38 HA PHE 38 0.042 -4.084 -0.311 286 1HB PHE 38 1HB PHE 38 0.998 -6.321 1.489 287 2HB PHE 38 2HB PHE 38 1.043 -6.310 -0.269 288 HD1 PHE 38 HD1 PHE 38 2.057 -3.794 -1.040 289 HD2 PHE 38 HD2 PHE 38 3.125 -6.138 2.346 290 HE1 PHE 38 HE1 PHE 38 4.260 -2.705 -0.992 291 HE2 PHE 38 HE2 PHE 38 5.333 -5.052 2.402 292 HZ PHE 38 HZ PHE 38 5.905 -3.337 0.730 293 H ASN 39 H ASN 39 -2.270 -3.914 1.580 294 HA ASN 39 HA ASN 39 -3.667 -6.410 1.199 295 1HB ASN 39 1HB ASN 39 -4.080 -5.048 3.209 296 2HB ASN 39 2HB ASN 39 -4.686 -3.743 2.198 297 2HD2 ASN 39 2HD2 ASN 39 -6.563 -4.040 3.638 298 1HD2 ASN 39 1HD2 ASN 39 -7.761 -5.200 3.185 299 H THR 40 H THR 40 -4.438 -6.937 -0.685 300 HA THR 40 HA THR 40 -4.660 -5.213 -2.881 301 HB THR 40 HB THR 40 -5.211 -7.067 -4.102 302 HG1 THR 40 HG1 THR 40 -6.572 -8.769 -3.187 303 1HG2 THR 40 1HG2 THR 40 -3.559 -7.626 -1.909 304 2HG2 THR 40 2HG2 THR 40 -4.623 -9.021 -2.089 305 3HG2 THR 40 3HG2 THR 40 -3.633 -8.487 -3.446 306 H GLN 41 H GLN 41 -6.722 -5.877 -0.283 307 HA GLN 41 HA GLN 41 -9.029 -4.709 -1.663 308 1HB GLN 41 1HB GLN 41 -8.644 -6.815 0.364 309 2HB GLN 41 2HB GLN 41 -10.033 -5.786 0.586 310 1HG GLN 41 1HG GLN 41 -9.541 -6.989 -2.086 311 2HG GLN 41 2HG GLN 41 -10.196 -7.996 -0.796 312 2HE2 GLN 41 2HE2 GLN 41 -12.192 -8.282 -1.686 313 1HE2 GLN 41 1HE2 GLN 41 -13.343 -7.008 -1.878 314 H ALA 42 H ALA 42 -6.601 -3.699 0.255 315 HA ALA 42 HA ALA 42 -7.831 -2.462 2.438 316 1HB ALA 42 1HB ALA 42 -5.239 -2.392 1.159 317 2HB ALA 42 2HB ALA 42 -5.668 -2.247 2.862 318 3HB ALA 42 3HB ALA 42 -5.701 -0.824 1.821 319 H THR 43 H THR 43 -9.104 -0.804 2.650 320 HA THR 43 HA THR 43 -9.206 1.258 0.545 321 HB THR 43 HB THR 43 -11.513 1.365 0.614 322 HG1 THR 43 HG1 THR 43 -11.338 0.179 3.197 323 1HG2 THR 43 1HG2 THR 43 -10.627 -0.969 -0.064 324 2HG2 THR 43 2HG2 THR 43 -11.327 -1.506 1.464 325 3HG2 THR 43 3HG2 THR 43 -12.355 -0.775 0.231 326 H ASN 44 H ASN 44 -8.966 3.347 1.292 327 HA ASN 44 HA ASN 44 -9.072 3.728 4.212 328 1HB ASN 44 1HB ASN 44 -6.789 3.847 2.719 329 2HB ASN 44 2HB ASN 44 -7.295 5.534 2.712 330 2HD2 ASN 44 2HD2 ASN 44 -6.085 6.549 4.141 331 1HD2 ASN 44 1HD2 ASN 44 -5.789 6.038 5.765 332 H ARG 45 H ARG 45 -10.999 4.733 4.445 333 HA ARG 45 HA ARG 45 -11.864 6.786 2.615 334 1HB ARG 45 1HB ARG 45 -13.778 6.995 4.269 335 2HB ARG 45 2HB ARG 45 -13.600 5.433 3.483 336 1HG ARG 45 1HG ARG 45 -13.287 4.383 5.417 337 2HG ARG 45 2HG ARG 45 -12.126 5.589 5.978 338 1HD ARG 45 1HD ARG 45 -13.664 6.340 7.393 339 2HD ARG 45 2HD ARG 45 -14.633 6.848 6.011 340 HE ARG 45 HE ARG 45 -15.923 4.905 6.224 341 1HH1 ARG 45 1HH1 ARG 45 -13.387 5.058 8.608 342 2HH1 ARG 45 2HH1 ARG 45 -14.085 3.833 9.615 343 1HH2 ARG 45 1HH2 ARG 45 -16.848 3.292 7.543 344 2HH2 ARG 45 2HH2 ARG 45 -16.051 2.829 9.009 345 H ASN 46 H ASN 46 -11.496 8.887 2.775 346 HA ASN 46 HA ASN 46 -10.296 9.914 5.255 347 1HB ASN 46 1HB ASN 46 -10.307 11.412 2.655 348 2HB ASN 46 2HB ASN 46 -9.166 11.521 3.991 349 2HD2 ASN 46 2HD2 ASN 46 -7.414 10.227 4.020 350 1HD2 ASN 46 1HD2 ASN 46 -7.029 9.082 2.784 351 H THR 47 H THR 47 -10.740 12.395 5.470 352 HA THR 47 HA THR 47 -13.588 12.647 5.849 353 HB THR 47 HB THR 47 -13.085 14.753 6.966 354 HG1 THR 47 HG1 THR 47 -10.666 14.435 5.622 355 1HG2 THR 47 1HG2 THR 47 -12.119 12.215 7.740 356 2HG2 THR 47 2HG2 THR 47 -10.890 13.393 8.201 357 3HG2 THR 47 3HG2 THR 47 -12.546 13.575 8.778 358 H ASP 48 H ASP 48 -11.332 13.537 3.446 359 HA ASP 48 HA ASP 48 -12.681 15.855 2.462 360 1HB ASP 48 1HB ASP 48 -11.247 15.434 0.413 361 2HB ASP 48 2HB ASP 48 -10.379 15.673 1.925 362 H GLY 49 H GLY 49 -13.520 12.643 2.450 363 1HA GLY 49 1HA GLY 49 -15.412 13.106 0.249 364 2HA GLY 49 2HA GLY 49 -15.613 11.936 1.544 365 H SER 50 H SER 50 -12.581 12.247 -0.143 366 HA SER 50 HA SER 50 -13.154 10.137 -2.018 367 1HB SER 50 1HB SER 50 -10.498 10.357 -2.224 368 2HB SER 50 2HB SER 50 -11.598 11.510 -2.979 369 HG SER 50 HG SER 50 -10.408 12.869 -1.869 370 H THR 51 H THR 51 -11.401 8.331 -2.165 371 HA THR 51 HA THR 51 -10.676 7.299 0.473 372 HB THR 51 HB THR 51 -12.130 5.475 -1.414 373 HG1 THR 51 HG1 THR 51 -13.643 7.063 -1.012 374 1HG2 THR 51 1HG2 THR 51 -10.745 4.955 0.847 375 2HG2 THR 51 2HG2 THR 51 -12.355 5.224 1.514 376 3HG2 THR 51 3HG2 THR 51 -12.105 3.985 0.285 377 H ASP 52 H ASP 52 -9.386 5.259 0.298 378 HA ASP 52 HA ASP 52 -7.712 5.275 -2.132 379 1HB ASP 52 1HB ASP 52 -6.921 4.653 0.721 380 2HB ASP 52 2HB ASP 52 -5.856 4.520 -0.675 381 H TYR 53 H TYR 53 -9.010 3.724 -3.141 382 HA TYR 53 HA TYR 53 -9.169 1.104 -1.863 383 1HB TYR 53 1HB TYR 53 -10.310 2.006 -4.516 384 2HB TYR 53 2HB TYR 53 -10.636 0.482 -3.703 385 HD1 TYR 53 HD1 TYR 53 -11.689 0.698 -1.305 386 HD2 TYR 53 HD2 TYR 53 -11.795 3.753 -4.261 387 HE1 TYR 53 HE1 TYR 53 -13.644 1.694 -0.196 388 HE2 TYR 53 HE2 TYR 53 -13.747 4.761 -3.159 389 HH TYR 53 HH TYR 53 -15.696 3.671 -1.511 390 H GLY 54 H GLY 54 -6.805 0.668 -2.041 391 1HA GLY 54 1HA GLY 54 -5.625 0.587 -4.637 392 2HA GLY 54 2HA GLY 54 -6.169 -1.006 -4.136 393 H ILE 55 H ILE 55 -3.846 -1.536 -4.308 394 HA ILE 55 HA ILE 55 -2.619 -1.508 -1.739 395 HB ILE 55 HB ILE 55 -2.257 -3.315 -3.466 396 1HG1 ILE 55 1HG1 ILE 55 0.348 -2.062 -2.598 397 2HG1 ILE 55 2HG1 ILE 55 -0.752 -2.832 -1.459 398 1HG2 ILE 55 1HG2 ILE 55 -1.568 -1.165 -5.090 399 2HG2 ILE 55 2HG2 ILE 55 -0.047 -2.005 -4.778 400 3HG2 ILE 55 3HG2 ILE 55 -1.413 -2.880 -5.472 401 1HD1 ILE 55 1HD1 ILE 55 -0.108 -4.469 -3.792 402 2HD1 ILE 55 2HD1 ILE 55 1.272 -4.079 -2.765 403 3HD1 ILE 55 3HD1 ILE 55 -0.138 -4.886 -2.079 404 H LEU 56 H LEU 56 -2.502 0.448 -4.584 405 HA LEU 56 HA LEU 56 -0.379 2.117 -3.426 406 1HB LEU 56 1HB LEU 56 -0.859 1.253 -6.105 407 2HB LEU 56 2HB LEU 56 -1.109 2.986 -6.057 408 HG LEU 56 HG LEU 56 1.147 2.883 -6.605 409 1HD1 LEU 56 1HD1 LEU 56 0.610 3.945 -4.235 410 2HD1 LEU 56 2HD1 LEU 56 1.683 2.656 -3.691 411 3HD1 LEU 56 3HD1 LEU 56 2.254 3.840 -4.866 412 1HD2 LEU 56 1HD2 LEU 56 0.969 0.271 -5.996 413 2HD2 LEU 56 2HD2 LEU 56 2.496 1.098 -6.301 414 3HD2 LEU 56 3HD2 LEU 56 1.957 0.823 -4.644 415 H GLN 57 H GLN 57 -3.501 1.828 -3.096 416 HA GLN 57 HA GLN 57 -5.155 3.182 -2.397 417 1HB GLN 57 1HB GLN 57 -3.089 5.366 -2.682 418 2HB GLN 57 2HB GLN 57 -4.666 5.565 -1.931 419 1HG GLN 57 1HG GLN 57 -3.905 3.617 -0.404 420 2HG GLN 57 2HG GLN 57 -2.287 4.047 -0.960 421 2HE2 GLN 57 2HE2 GLN 57 -4.051 4.347 1.600 422 1HE2 GLN 57 1HE2 GLN 57 -3.682 5.954 2.117 423 H ILE 58 H ILE 58 -6.135 2.561 -4.540 424 HA ILE 58 HA ILE 58 -5.964 4.583 -6.592 425 HB ILE 58 HB ILE 58 -7.837 2.224 -6.542 426 1HG1 ILE 58 1HG1 ILE 58 -5.706 1.237 -6.223 427 2HG1 ILE 58 2HG1 ILE 58 -6.018 1.122 -7.952 428 1HG2 ILE 58 1HG2 ILE 58 -7.123 4.297 -8.466 429 2HG2 ILE 58 2HG2 ILE 58 -7.029 2.662 -9.122 430 3HG2 ILE 58 3HG2 ILE 58 -8.534 3.240 -8.407 431 1HD1 ILE 58 1HD1 ILE 58 -4.587 3.068 -8.330 432 2HD1 ILE 58 2HD1 ILE 58 -4.265 3.161 -6.598 433 3HD1 ILE 58 3HD1 ILE 58 -3.723 1.761 -7.522 434 H ASN 59 H ASN 59 -6.885 6.426 -5.909 435 HA ASN 59 HA ASN 59 -9.239 6.623 -4.392 436 1HB ASN 59 1HB ASN 59 -7.474 8.407 -4.779 437 2HB ASN 59 2HB ASN 59 -8.212 8.681 -6.353 438 2HD2 ASN 59 2HD2 ASN 59 -10.707 8.913 -6.149 439 1HD2 ASN 59 1HD2 ASN 59 -11.233 10.013 -4.925 440 H SER 60 H SER 60 -11.018 5.548 -5.157 441 HA SER 60 HA SER 60 -11.684 5.343 -7.890 442 1HB SER 60 1HB SER 60 -13.538 4.142 -7.186 443 2HB SER 60 2HB SER 60 -12.449 3.936 -5.815 444 HG SER 60 HG SER 60 -14.828 4.763 -5.616 445 H ARG 61 H ARG 61 -12.185 7.877 -5.594 446 HA ARG 61 HA ARG 61 -14.412 9.034 -7.060 447 1HB ARG 61 1HB ARG 61 -13.857 9.140 -4.465 448 2HB ARG 61 2HB ARG 61 -12.920 10.543 -4.960 449 1HG ARG 61 1HG ARG 61 -14.786 11.736 -5.592 450 2HG ARG 61 2HG ARG 61 -15.760 10.285 -5.836 451 1HD ARG 61 1HD ARG 61 -16.014 9.954 -3.503 452 2HD ARG 61 2HD ARG 61 -14.776 11.151 -3.129 453 HE ARG 61 HE ARG 61 -16.311 12.857 -3.584 454 1HH1 ARG 61 1HH1 ARG 61 -17.692 9.699 -4.096 455 2HH1 ARG 61 2HH1 ARG 61 -19.325 10.276 -4.120 456 1HH2 ARG 61 1HH2 ARG 61 -18.457 13.625 -3.613 457 2HH2 ARG 61 2HH2 ARG 61 -19.759 12.508 -3.847 458 H TRP 62 H TRP 62 -11.590 8.634 -8.110 459 HA TRP 62 HA TRP 62 -11.479 11.104 -9.562 460 1HB TRP 62 1HB TRP 62 -10.141 11.223 -7.229 461 2HB TRP 62 2HB TRP 62 -8.878 10.561 -8.261 462 HD1 TRP 62 HD1 TRP 62 -7.989 12.124 -10.268 463 HE1 TRP 62 HE1 TRP 62 -8.067 14.674 -10.598 464 HE3 TRP 62 HE3 TRP 62 -11.552 13.284 -6.790 465 HZ2 TRP 62 HZ2 TRP 62 -9.455 16.886 -9.526 466 HZ3 TRP 62 HZ3 TRP 62 -12.198 15.642 -6.505 467 HH2 TRP 62 HH2 TRP 62 -11.170 17.404 -7.845 468 H TRP 63 H TRP 63 -10.870 7.797 -9.347 469 HA TRP 63 HA TRP 63 -9.321 7.925 -11.836 470 1HB TRP 63 1HB TRP 63 -8.816 6.087 -9.492 471 2HB TRP 63 2HB TRP 63 -8.073 5.895 -11.078 472 HD1 TRP 63 HD1 TRP 63 -7.025 7.059 -7.906 473 HE1 TRP 63 HE1 TRP 63 -5.264 8.937 -8.063 474 HE3 TRP 63 HE3 TRP 63 -7.734 8.404 -12.760 475 HZ2 TRP 63 HZ2 TRP 63 -4.316 10.765 -10.017 476 HZ3 TRP 63 HZ3 TRP 63 -6.405 10.218 -13.708 477 HH2 TRP 63 HH2 TRP 63 -4.711 11.380 -12.367 478 H CYS 64 H CYS 64 -10.789 5.383 -9.823 479 HA CYS 64 HA CYS 64 -11.852 4.214 -12.283 480 1HB CYS 64 1HB CYS 64 -11.928 2.141 -11.215 481 2HB CYS 64 2HB CYS 64 -10.500 2.894 -10.515 482 H ASN 65 H ASN 65 -13.942 3.235 -12.342 483 HA ASN 65 HA ASN 65 -15.929 4.927 -10.980 484 1HB ASN 65 1HB ASN 65 -16.408 5.229 -13.197 485 2HB ASN 65 2HB ASN 65 -15.781 3.650 -13.659 486 2HD2 ASN 65 2HD2 ASN 65 -17.345 2.565 -14.602 487 1HD2 ASN 65 1HD2 ASN 65 -18.972 2.423 -14.038 488 H ASP 66 H ASP 66 -16.855 4.023 -9.280 489 HA ASP 66 HA ASP 66 -17.320 1.115 -9.283 490 1HB ASP 66 1HB ASP 66 -17.451 1.305 -6.820 491 2HB ASP 66 2HB ASP 66 -15.901 1.855 -7.448 492 H GLY 67 H GLY 67 -18.891 3.886 -9.933 493 1HA GLY 67 1HA GLY 67 -21.449 2.921 -8.807 494 2HA GLY 67 2HA GLY 67 -21.311 3.463 -10.473 495 H ARG 68 H ARG 68 -19.281 5.433 -9.006 496 HA ARG 68 HA ARG 68 -21.318 7.488 -8.536 497 1HB ARG 68 1HB ARG 68 -18.890 6.894 -6.835 498 2HB ARG 68 2HB ARG 68 -19.803 8.392 -6.727 499 1HG ARG 68 1HG ARG 68 -21.451 5.990 -6.520 500 2HG ARG 68 2HG ARG 68 -20.252 6.153 -5.237 501 1HD ARG 68 1HD ARG 68 -21.127 8.612 -5.131 502 2HD ARG 68 2HD ARG 68 -22.543 7.938 -5.935 503 HE ARG 68 HE ARG 68 -22.883 6.527 -4.022 504 1HH1 ARG 68 1HH1 ARG 68 -20.486 9.026 -3.628 505 2HH1 ARG 68 2HH1 ARG 68 -20.559 9.001 -1.898 506 1HH2 ARG 68 1HH2 ARG 68 -22.985 6.488 -1.745 507 2HH2 ARG 68 2HH2 ARG 68 -21.978 7.558 -0.828 508 H THR 69 H THR 69 -20.150 7.122 -10.911 509 HA THR 69 HA THR 69 -17.741 8.610 -11.265 510 HB THR 69 HB THR 69 -19.791 7.813 -13.336 511 HG1 THR 69 HG1 THR 69 -17.627 6.476 -12.129 512 1HG2 THR 69 1HG2 THR 69 -16.963 8.829 -13.536 513 2HG2 THR 69 2HG2 THR 69 -17.744 7.937 -14.842 514 3HG2 THR 69 3HG2 THR 69 -18.415 9.476 -14.301 515 HA PRO 70 HA PRO 70 -21.207 11.871 -12.928 516 1HB PRO 70 1HB PRO 70 -22.550 11.698 -10.258 517 2HB PRO 70 2HB PRO 70 -23.230 12.139 -11.829 518 1HG PRO 70 1HG PRO 70 -23.649 9.720 -10.802 519 2HG PRO 70 2HG PRO 70 -23.363 9.935 -12.538 520 1HD PRO 70 1HD PRO 70 -21.561 8.842 -10.443 521 2HD PRO 70 2HD PRO 70 -21.652 8.453 -12.171 522 H GLY 71 H GLY 71 -19.680 11.202 -9.874 523 1HA GLY 71 1HA GLY 71 -19.189 13.034 -8.260 524 2HA GLY 71 2HA GLY 71 -18.881 14.041 -9.669 525 H SER 72 H SER 72 -17.876 10.815 -10.009 526 HA SER 72 HA SER 72 -15.186 11.284 -8.995 527 1HB SER 72 1HB SER 72 -16.560 8.850 -10.141 528 2HB SER 72 2HB SER 72 -14.842 8.880 -9.744 529 HG SER 72 HG SER 72 -16.516 9.795 -7.752 530 H ARG 73 H ARG 73 -13.370 11.389 -10.259 531 HA ARG 73 HA ARG 73 -13.581 12.511 -12.817 532 1HB ARG 73 1HB ARG 73 -11.377 11.522 -11.110 533 2HB ARG 73 2HB ARG 73 -11.032 11.611 -12.832 534 1HG ARG 73 1HG ARG 73 -12.293 13.975 -11.567 535 2HG ARG 73 2HG ARG 73 -10.601 13.643 -11.190 536 1HD ARG 73 1HD ARG 73 -10.295 13.425 -13.732 537 2HD ARG 73 2HD ARG 73 -11.860 14.227 -13.851 538 HE ARG 73 HE ARG 73 -9.408 15.398 -12.727 539 1HH1 ARG 73 1HH1 ARG 73 -12.655 15.731 -13.949 540 2HH1 ARG 73 2HH1 ARG 73 -12.588 17.460 -14.018 541 1HH2 ARG 73 1HH2 ARG 73 -9.313 17.674 -12.815 542 2HH2 ARG 73 2HH2 ARG 73 -10.689 18.565 -13.374 543 H ASN 74 H ASN 74 -12.976 9.197 -11.790 544 HA ASN 74 HA ASN 74 -12.858 7.201 -12.917 545 1HB ASN 74 1HB ASN 74 -15.261 7.942 -13.286 546 2HB ASN 74 2HB ASN 74 -14.757 8.538 -14.865 547 2HD2 ASN 74 2HD2 ASN 74 -16.411 7.001 -15.579 548 1HD2 ASN 74 1HD2 ASN 74 -15.954 5.354 -15.825 549 H LEU 75 H LEU 75 -11.028 9.373 -13.625 550 HA LEU 75 HA LEU 75 -10.443 9.632 -16.303 551 1HB LEU 75 1HB LEU 75 -8.978 9.643 -13.732 552 2HB LEU 75 2HB LEU 75 -8.002 9.527 -15.181 553 HG LEU 75 HG LEU 75 -9.945 11.717 -14.404 554 1HD1 LEU 75 1HD1 LEU 75 -6.951 11.616 -14.703 555 2HD1 LEU 75 2HD1 LEU 75 -7.856 13.130 -14.665 556 3HD1 LEU 75 3HD1 LEU 75 -7.899 12.041 -13.278 557 1HD2 LEU 75 1HD2 LEU 75 -8.990 10.925 -17.035 558 2HD2 LEU 75 2HD2 LEU 75 -10.268 12.056 -16.585 559 3HD2 LEU 75 3HD2 LEU 75 -8.590 12.598 -16.648 560 H CYS 76 H CYS 76 -8.518 7.712 -14.201 561 HA CYS 76 HA CYS 76 -7.151 6.055 -15.708 562 1HB CYS 76 1HB CYS 76 -7.930 6.236 -13.101 563 2HB CYS 76 2HB CYS 76 -8.499 4.639 -13.559 564 H ASN 77 H ASN 77 -10.615 5.806 -15.193 565 HA ASN 77 HA ASN 77 -12.218 4.393 -15.995 566 1HB ASN 77 1HB ASN 77 -11.123 5.506 -18.101 567 2HB ASN 77 2HB ASN 77 -10.481 3.892 -18.392 568 2HD2 ASN 77 2HD2 ASN 77 -12.661 5.748 -19.571 569 1HD2 ASN 77 1HD2 ASN 77 -13.987 4.667 -19.820 570 H ILE 78 H ILE 78 -10.990 3.083 -14.170 571 HA ILE 78 HA ILE 78 -10.303 0.483 -15.342 572 HB ILE 78 HB ILE 78 -8.530 0.191 -13.995 573 1HG1 ILE 78 1HG1 ILE 78 -10.322 1.333 -11.945 574 2HG1 ILE 78 2HG1 ILE 78 -9.214 -0.028 -11.837 575 1HG2 ILE 78 1HG2 ILE 78 -8.228 2.358 -15.140 576 2HG2 ILE 78 2HG2 ILE 78 -8.794 3.171 -13.681 577 3HG2 ILE 78 3HG2 ILE 78 -7.306 2.226 -13.643 578 1HD1 ILE 78 1HD1 ILE 78 -7.349 1.623 -11.645 579 2HD1 ILE 78 2HD1 ILE 78 -8.570 2.891 -11.533 580 3HD1 ILE 78 3HD1 ILE 78 -8.493 1.630 -10.303 581 HA PRO 79 HA PRO 79 -13.556 -1.237 -12.871 582 1HB PRO 79 1HB PRO 79 -12.716 -3.787 -12.584 583 2HB PRO 79 2HB PRO 79 -13.276 -3.158 -14.138 584 1HG PRO 79 1HG PRO 79 -10.481 -3.559 -13.154 585 2HG PRO 79 2HG PRO 79 -11.164 -3.898 -14.754 586 1HD PRO 79 1HD PRO 79 -9.696 -1.664 -14.177 587 2HD PRO 79 2HD PRO 79 -10.935 -1.724 -15.446 588 H CYS 80 H CYS 80 -13.732 -0.575 -10.811 589 HA CYS 80 HA CYS 80 -11.626 -0.448 -8.981 590 1HB CYS 80 1HB CYS 80 -14.554 -0.533 -8.271 591 2HB CYS 80 2HB CYS 80 -13.251 0.232 -7.366 592 H SER 81 H SER 81 -14.457 -2.630 -8.806 593 HA SER 81 HA SER 81 -13.438 -4.192 -6.709 594 1HB SER 81 1HB SER 81 -15.152 -5.873 -7.429 595 2HB SER 81 2HB SER 81 -15.794 -4.243 -7.226 596 HG SER 81 HG SER 81 -15.027 -4.373 -9.710 597 H ALA 82 H ALA 82 -12.681 -4.231 -10.085 598 HA ALA 82 HA ALA 82 -11.573 -6.918 -9.975 599 1HB ALA 82 1HB ALA 82 -12.649 -5.429 -12.016 600 2HB ALA 82 2HB ALA 82 -11.711 -6.912 -12.203 601 3HB ALA 82 3HB ALA 82 -10.916 -5.342 -12.336 602 H LEU 83 H LEU 83 -10.587 -3.713 -9.444 603 HA LEU 83 HA LEU 83 -7.766 -4.241 -9.920 604 1HB LEU 83 1HB LEU 83 -7.444 -2.001 -9.876 605 2HB LEU 83 2HB LEU 83 -9.164 -1.980 -10.203 606 HG LEU 83 HG LEU 83 -9.253 -1.932 -7.521 607 1HD1 LEU 83 1HD1 LEU 83 -6.544 -0.982 -8.297 608 2HD1 LEU 83 2HD1 LEU 83 -7.406 -0.122 -7.021 609 3HD1 LEU 83 3HD1 LEU 83 -7.070 -1.844 -6.852 610 1HD2 LEU 83 1HD2 LEU 83 -9.579 -0.095 -9.651 611 2HD2 LEU 83 2HD2 LEU 83 -10.306 -0.053 -8.045 612 3HD2 LEU 83 3HD2 LEU 83 -8.762 0.747 -8.334 613 H LEU 84 H LEU 84 -9.934 -4.889 -7.553 614 HA LEU 84 HA LEU 84 -8.018 -4.583 -5.358 615 1HB LEU 84 1HB LEU 84 -10.931 -5.343 -5.219 616 2HB LEU 84 2HB LEU 84 -9.898 -4.893 -3.877 617 HG LEU 84 HG LEU 84 -10.935 -3.123 -6.072 618 1HD1 LEU 84 1HD1 LEU 84 -11.925 -3.773 -3.563 619 2HD1 LEU 84 2HD1 LEU 84 -11.173 -2.191 -3.353 620 3HD1 LEU 84 3HD1 LEU 84 -12.419 -2.419 -4.580 621 1HD2 LEU 84 1HD2 LEU 84 -8.436 -2.919 -4.717 622 2HD2 LEU 84 2HD2 LEU 84 -9.155 -1.814 -5.890 623 3HD2 LEU 84 3HD2 LEU 84 -9.489 -1.614 -4.170 624 H SER 85 H SER 85 -8.649 -6.764 -7.624 625 HA SER 85 HA SER 85 -8.986 -9.197 -6.209 626 1HB SER 85 1HB SER 85 -8.452 -10.283 -8.272 627 2HB SER 85 2HB SER 85 -9.367 -8.833 -8.684 628 HG SER 85 HG SER 85 -7.066 -9.494 -9.643 629 H SER 86 H SER 86 -7.084 -10.896 -6.905 630 HA SER 86 HA SER 86 -4.911 -10.183 -5.139 631 1HB SER 86 1HB SER 86 -4.132 -12.566 -5.806 632 2HB SER 86 2HB SER 86 -5.604 -12.407 -4.846 633 HG SER 86 HG SER 86 -5.277 -13.181 -7.498 634 H ASP 87 H ASP 87 -5.190 -8.758 -7.666 635 HA ASP 87 HA ASP 87 -2.528 -9.314 -8.772 636 1HB ASP 87 1HB ASP 87 -4.178 -10.234 -10.312 637 2HB ASP 87 2HB ASP 87 -5.036 -8.699 -10.338 638 H ILE 88 H ILE 88 -1.256 -7.585 -8.635 639 HA ILE 88 HA ILE 88 -2.349 -5.016 -7.929 640 HB ILE 88 HB ILE 88 0.221 -4.413 -8.312 641 1HG1 ILE 88 1HG1 ILE 88 0.564 -7.222 -7.373 642 2HG1 ILE 88 2HG1 ILE 88 0.407 -6.943 -9.105 643 1HG2 ILE 88 1HG2 ILE 88 -1.428 -5.064 -6.133 644 2HG2 ILE 88 2HG2 ILE 88 0.124 -5.856 -5.852 645 3HG2 ILE 88 3HG2 ILE 88 0.059 -4.114 -6.129 646 1HD1 ILE 88 1HD1 ILE 88 2.280 -5.094 -7.956 647 2HD1 ILE 88 2HD1 ILE 88 2.713 -6.757 -7.556 648 3HD1 ILE 88 3HD1 ILE 88 2.510 -6.280 -9.242 649 H THR 89 H THR 89 -1.927 -6.542 -10.856 650 HA THR 89 HA THR 89 -0.759 -4.702 -12.533 651 HB THR 89 HB THR 89 -3.171 -6.422 -13.140 652 HG1 THR 89 HG1 THR 89 -1.750 -7.992 -13.508 653 1HG2 THR 89 1HG2 THR 89 -1.934 -4.418 -14.706 654 2HG2 THR 89 2HG2 THR 89 -1.458 -5.976 -15.383 655 3HG2 THR 89 3HG2 THR 89 -3.167 -5.578 -15.201 656 H ALA 90 H ALA 90 -4.198 -4.826 -11.578 657 HA ALA 90 HA ALA 90 -4.940 -2.581 -13.043 658 1HB ALA 90 1HB ALA 90 -6.549 -4.242 -12.379 659 2HB ALA 90 2HB ALA 90 -7.018 -2.663 -11.751 660 3HB ALA 90 3HB ALA 90 -6.280 -3.854 -10.680 661 H SER 91 H SER 91 -4.311 -2.928 -9.538 662 HA SER 91 HA SER 91 -4.747 -0.224 -8.890 663 1HB SER 91 1HB SER 91 -2.735 -1.784 -7.341 664 2HB SER 91 2HB SER 91 -4.057 -0.769 -6.764 665 HG SER 91 HG SER 91 -4.967 -2.647 -6.435 666 H VAL 92 H VAL 92 -1.961 -1.897 -10.114 667 HA VAL 92 HA VAL 92 -0.218 0.340 -9.626 668 HB VAL 92 HB VAL 92 0.249 -2.182 -11.214 669 1HG1 VAL 92 1HG1 VAL 92 1.857 0.323 -11.012 670 2HG1 VAL 92 2HG1 VAL 92 2.711 -1.219 -11.046 671 3HG1 VAL 92 3HG1 VAL 92 1.645 -0.771 -12.378 672 1HG2 VAL 92 1HG2 VAL 92 0.661 -1.360 -8.454 673 2HG2 VAL 92 2HG2 VAL 92 0.683 -2.973 -9.168 674 3HG2 VAL 92 3HG2 VAL 92 2.134 -1.971 -9.206 675 H ASN 93 H ASN 93 -1.758 -1.067 -12.515 676 HA ASN 93 HA ASN 93 -0.701 0.546 -14.393 677 1HB ASN 93 1HB ASN 93 -2.068 -0.676 -15.622 678 2HB ASN 93 2HB ASN 93 -2.898 -1.180 -14.173 679 2HD2 ASN 93 2HD2 ASN 93 -2.877 1.066 -16.816 680 1HD2 ASN 93 1HD2 ASN 93 -4.504 1.617 -16.629 681 H CYS 94 H CYS 94 -3.315 1.207 -12.179 682 HA CYS 94 HA CYS 94 -4.023 3.725 -13.259 683 1HB CYS 94 1HB CYS 94 -5.246 2.153 -11.508 684 2HB CYS 94 2HB CYS 94 -4.397 3.176 -10.352 685 H ALA 95 H ALA 95 -1.955 2.774 -10.504 686 HA ALA 95 HA ALA 95 -1.197 5.455 -9.906 687 1HB ALA 95 1HB ALA 95 -0.967 3.737 -8.239 688 2HB ALA 95 2HB ALA 95 0.230 2.903 -9.233 689 3HB ALA 95 3HB ALA 95 0.591 4.495 -8.567 690 H LYS 96 H LYS 96 -0.044 3.044 -12.120 691 HA LYS 96 HA LYS 96 2.476 3.998 -12.747 692 1HB LYS 96 1HB LYS 96 0.369 2.494 -14.237 693 2HB LYS 96 2HB LYS 96 1.691 3.183 -15.170 694 1HG LYS 96 1HG LYS 96 3.307 1.925 -13.931 695 2HG LYS 96 2HG LYS 96 2.069 1.356 -12.809 696 1HD LYS 96 1HD LYS 96 1.837 -0.424 -14.129 697 2HD LYS 96 2HD LYS 96 1.110 0.653 -15.322 698 1HE LYS 96 1HE LYS 96 4.007 0.776 -15.357 699 2HE LYS 96 2HE LYS 96 3.411 -0.859 -15.641 700 1HZ LYS 96 1HZ LYS 96 1.810 0.445 -17.255 701 2HZ LYS 96 2HZ LYS 96 3.093 1.546 -17.270 702 3HZ LYS 96 3HZ LYS 96 3.349 -0.056 -17.747 703 H LYS 97 H LYS 97 -0.721 4.865 -13.748 704 HA LYS 97 HA LYS 97 0.062 7.012 -15.513 705 1HB LYS 97 1HB LYS 97 -2.288 5.535 -15.077 706 2HB LYS 97 2HB LYS 97 -2.679 7.180 -14.595 707 1HG LYS 97 1HG LYS 97 -1.230 6.994 -17.128 708 2HG LYS 97 2HG LYS 97 -2.813 6.211 -17.133 709 1HD LYS 97 1HD LYS 97 -3.931 8.170 -16.908 710 2HD LYS 97 2HD LYS 97 -2.679 8.891 -15.895 711 1HE LYS 97 1HE LYS 97 -1.631 9.820 -17.648 712 2HE LYS 97 2HE LYS 97 -1.835 8.383 -18.649 713 1HZ LYS 97 1HZ LYS 97 -4.236 9.116 -18.860 714 2HZ LYS 97 2HZ LYS 97 -3.741 10.605 -18.228 715 3HZ LYS 97 3HZ LYS 97 -3.086 10.046 -19.684 716 H ILE 98 H ILE 98 -0.775 6.582 -12.166 717 HA ILE 98 HA ILE 98 -1.360 9.242 -11.496 718 HB ILE 98 HB ILE 98 -0.313 6.974 -9.841 719 1HG1 ILE 98 1HG1 ILE 98 -2.987 8.403 -9.891 720 2HG1 ILE 98 2HG1 ILE 98 -2.654 6.861 -10.673 721 1HG2 ILE 98 1HG2 ILE 98 -0.975 9.782 -8.978 722 2HG2 ILE 98 2HG2 ILE 98 -0.864 8.417 -7.866 723 3HG2 ILE 98 3HG2 ILE 98 0.555 8.925 -8.783 724 1HD1 ILE 98 1HD1 ILE 98 -2.156 7.147 -7.750 725 2HD1 ILE 98 2HD1 ILE 98 -3.805 6.945 -8.340 726 3HD1 ILE 98 3HD1 ILE 98 -2.588 5.716 -8.687 727 H VAL 99 H VAL 99 1.613 7.390 -11.286 728 HA VAL 99 HA VAL 99 3.229 9.615 -10.514 729 HB VAL 99 HB VAL 99 3.712 7.212 -9.936 730 1HG1 VAL 99 1HG1 VAL 99 3.607 6.890 -12.712 731 2HG1 VAL 99 2HG1 VAL 99 5.300 6.668 -12.268 732 3HG1 VAL 99 3HG1 VAL 99 4.053 5.681 -11.507 733 1HG2 VAL 99 1HG2 VAL 99 5.778 9.025 -11.134 734 2HG2 VAL 99 2HG2 VAL 99 5.411 8.732 -9.434 735 3HG2 VAL 99 3HG2 VAL 99 6.221 7.489 -10.388 736 H SER 100 H SER 100 2.102 8.386 -13.519 737 HA SER 100 HA SER 100 4.246 9.626 -15.051 738 1HB SER 100 1HB SER 100 1.985 7.795 -15.645 739 2HB SER 100 2HB SER 100 2.470 8.891 -16.939 740 HG SER 100 HG SER 100 4.670 8.086 -16.494 741 H ASP 101 H ASP 101 1.364 10.533 -13.623 742 HA ASP 101 HA ASP 101 0.809 12.650 -15.574 743 1HB ASP 101 1HB ASP 101 -0.999 11.109 -14.516 744 2HB ASP 101 2HB ASP 101 -0.826 12.148 -13.104 745 H GLY 102 H GLY 102 2.630 12.184 -12.843 746 1HA GLY 102 1HA GLY 102 2.542 15.069 -12.220 747 2HA GLY 102 2HA GLY 102 3.996 14.087 -12.141 748 H ASN 103 H ASN 103 3.398 11.963 -10.689 749 HA ASN 103 HA ASN 103 3.028 13.066 -8.054 750 1HB ASN 103 1HB ASN 103 0.918 11.452 -9.373 751 2HB ASN 103 2HB ASN 103 1.298 11.028 -7.707 752 2HD2 ASN 103 2HD2 ASN 103 -1.017 12.391 -9.121 753 1HD2 ASN 103 1HD2 ASN 103 -1.305 13.806 -8.172 754 H GLY 104 H GLY 104 5.026 12.334 -7.483 755 1HA GLY 104 1HA GLY 104 6.749 10.829 -7.089 756 2HA GLY 104 2HA GLY 104 5.886 9.643 -8.057 757 H MET 105 H MET 105 7.245 9.299 -5.483 758 HA MET 105 HA MET 105 5.166 7.847 -4.126 759 1HB MET 105 1HB MET 105 7.843 8.258 -2.882 760 2HB MET 105 2HB MET 105 6.859 6.804 -2.965 761 1HG MET 105 1HG MET 105 8.518 7.989 -5.174 762 2HG MET 105 2HG MET 105 8.849 6.512 -4.270 763 1HE MET 105 1HE MET 105 6.710 5.020 -3.855 764 2HE MET 105 2HE MET 105 5.218 5.614 -4.582 765 3HE MET 105 3HE MET 105 6.017 4.190 -5.249 766 H ASN 106 H ASN 106 5.679 10.963 -4.293 767 HA ASN 106 HA ASN 106 5.624 11.596 -1.457 768 1HB ASN 106 1HB ASN 106 5.372 13.679 -3.575 769 2HB ASN 106 2HB ASN 106 6.260 13.715 -2.059 770 2HD2 ASN 106 2HD2 ASN 106 8.253 12.545 -1.923 771 1HD2 ASN 106 1HD2 ASN 106 9.200 12.299 -3.347 772 H ALA 107 H ALA 107 3.550 11.419 -4.250 773 HA ALA 107 HA ALA 107 1.434 13.049 -3.461 774 1HB ALA 107 1HB ALA 107 1.392 10.475 -5.034 775 2HB ALA 107 2HB ALA 107 0.027 11.583 -4.892 776 3HB ALA 107 3HB ALA 107 1.514 12.112 -5.678 777 H TRP 108 H TRP 108 2.093 9.654 -2.738 778 HA TRP 108 HA TRP 108 -0.231 9.398 -1.066 779 1HB TRP 108 1HB TRP 108 2.111 7.531 -1.502 780 2HB TRP 108 2HB TRP 108 0.634 7.124 -0.631 781 HD1 TRP 108 HD1 TRP 108 -1.655 6.991 -2.127 782 HE1 TRP 108 HE1 TRP 108 -1.995 6.406 -4.610 783 HE3 TRP 108 HE3 TRP 108 3.128 7.682 -3.787 784 HZ2 TRP 108 HZ2 TRP 108 -0.440 6.249 -6.976 785 HZ3 TRP 108 HZ3 TRP 108 3.618 7.299 -6.165 786 HH2 TRP 108 HH2 TRP 108 1.874 6.596 -7.722 787 H VAL 109 H VAL 109 -0.340 9.499 1.091 788 HA VAL 109 HA VAL 109 1.698 10.925 2.484 789 HB VAL 109 HB VAL 109 -0.513 9.732 3.940 790 1HG1 VAL 109 1HG1 VAL 109 1.297 11.463 4.703 791 2HG1 VAL 109 2HG1 VAL 109 0.186 12.617 3.966 792 3HG1 VAL 109 3HG1 VAL 109 -0.363 11.583 5.284 793 1HG2 VAL 109 1HG2 VAL 109 -0.860 11.752 1.760 794 2HG2 VAL 109 2HG2 VAL 109 -1.765 10.263 2.032 795 3HG2 VAL 109 3HG2 VAL 109 -1.990 11.642 3.109 796 H ALA 110 H ALA 110 1.029 7.564 2.206 797 HA ALA 110 HA ALA 110 2.066 6.837 4.772 798 1HB ALA 110 1HB ALA 110 1.978 4.999 2.401 799 2HB ALA 110 2HB ALA 110 1.800 4.611 4.113 800 3HB ALA 110 3HB ALA 110 0.509 5.460 3.263 801 H TRP 111 H TRP 111 3.392 7.366 1.605 802 HA TRP 111 HA TRP 111 5.970 6.267 2.313 803 1HB TRP 111 1HB TRP 111 5.141 6.200 -0.030 804 2HB TRP 111 2HB TRP 111 5.224 7.952 -0.089 805 HD1 TRP 111 HD1 TRP 111 7.335 4.864 -0.462 806 HE1 TRP 111 HE1 TRP 111 9.737 5.530 -1.096 807 HE3 TRP 111 HE3 TRP 111 7.026 9.907 0.344 808 HZ2 TRP 111 HZ2 TRP 111 11.297 7.877 -1.237 809 HZ3 TRP 111 HZ3 TRP 111 9.021 11.289 -0.063 810 HH2 TRP 111 HH2 TRP 111 11.110 10.293 -0.837 811 H ARG 112 H ARG 112 4.380 9.414 2.199 812 HA ARG 112 HA ARG 112 6.855 10.767 2.931 813 1HB ARG 112 1HB ARG 112 4.121 11.622 2.104 814 2HB ARG 112 2HB ARG 112 5.138 12.740 3.002 815 1HG ARG 112 1HG ARG 112 6.911 12.190 1.195 816 2HG ARG 112 2HG ARG 112 5.528 11.614 0.262 817 1HD ARG 112 1HD ARG 112 5.810 13.857 -0.379 818 2HD ARG 112 2HD ARG 112 4.456 13.866 0.750 819 HE ARG 112 HE ARG 112 6.648 14.356 2.302 820 1HH1 ARG 112 1HH1 ARG 112 5.249 15.836 -0.524 821 2HH1 ARG 112 2HH1 ARG 112 5.812 17.426 -0.129 822 1HH2 ARG 112 1HH2 ARG 112 7.394 16.445 2.830 823 2HH2 ARG 112 2HH2 ARG 112 7.032 17.772 1.777 824 H ASN 113 H ASN 113 6.179 8.975 4.830 825 HA ASN 113 HA ASN 113 5.661 10.690 7.099 826 1HB ASN 113 1HB ASN 113 3.634 8.891 6.069 827 2HB ASN 113 2HB ASN 113 4.086 8.461 7.716 828 2HD2 ASN 113 2HD2 ASN 113 4.218 10.374 9.233 829 1HD2 ASN 113 1HD2 ASN 113 2.950 11.541 9.111 830 H ARG 114 H ARG 114 5.836 7.242 6.258 831 HA ARG 114 HA ARG 114 7.882 6.928 8.354 832 1HB ARG 114 1HB ARG 114 5.582 5.257 7.516 833 2HB ARG 114 2HB ARG 114 7.045 4.416 7.999 834 1HG ARG 114 1HG ARG 114 6.032 4.537 10.021 835 2HG ARG 114 2HG ARG 114 6.870 6.089 10.053 836 1HD ARG 114 1HD ARG 114 4.776 7.097 9.063 837 2HD ARG 114 2HD ARG 114 3.984 5.555 9.386 838 HE ARG 114 HE ARG 114 3.947 6.072 11.626 839 1HH1 ARG 114 1HH1 ARG 114 6.014 8.316 9.944 840 2HH1 ARG 114 2HH1 ARG 114 6.180 9.379 11.301 841 1HH2 ARG 114 1HH2 ARG 114 4.160 7.465 13.417 842 2HH2 ARG 114 2HH2 ARG 114 5.126 8.896 13.276 843 H CYS 115 H CYS 115 7.759 7.278 5.161 844 HA CYS 115 HA CYS 115 9.759 5.178 4.644 845 1HB CYS 115 1HB CYS 115 7.770 6.515 2.829 846 2HB CYS 115 2HB CYS 115 9.176 5.671 2.189 847 H LYS 116 H LYS 116 8.951 8.541 3.757 848 HA LYS 116 HA LYS 116 11.403 9.139 2.549 849 1HB LYS 116 1HB LYS 116 9.246 10.475 2.443 850 2HB LYS 116 2HB LYS 116 9.672 11.121 4.023 851 1HG LYS 116 1HG LYS 116 11.946 11.652 2.736 852 2HG LYS 116 2HG LYS 116 10.835 11.680 1.365 853 1HD LYS 116 1HD LYS 116 9.386 13.218 2.820 854 2HD LYS 116 2HD LYS 116 10.823 13.396 3.830 855 1HE LYS 116 1HE LYS 116 11.713 14.853 2.408 856 2HE LYS 116 2HE LYS 116 11.505 13.736 1.059 857 1HZ LYS 116 1HZ LYS 116 9.020 14.879 1.801 858 2HZ LYS 116 2HZ LYS 116 10.149 16.098 1.490 859 3HZ LYS 116 3HZ LYS 116 9.815 14.933 0.310 860 H GLY 117 H GLY 117 13.135 8.416 3.772 861 1HA GLY 117 1HA GLY 117 13.492 9.703 6.400 862 2HA GLY 117 2HA GLY 117 14.758 9.786 5.186 863 H THR 118 H THR 118 13.533 6.837 4.645 864 HA THR 118 HA THR 118 15.269 5.569 6.659 865 HB THR 118 HB THR 118 13.861 3.559 6.471 866 HG1 THR 118 HG1 THR 118 11.700 4.099 5.407 867 1HG2 THR 118 1HG2 THR 118 12.571 6.154 7.258 868 2HG2 THR 118 2HG2 THR 118 11.726 4.617 7.446 869 3HG2 THR 118 3HG2 THR 118 13.249 4.894 8.291 870 H ASP 119 H ASP 119 14.820 2.974 5.215 871 HA ASP 119 HA ASP 119 16.429 3.465 2.821 872 1HB ASP 119 1HB ASP 119 17.638 2.622 4.962 873 2HB ASP 119 2HB ASP 119 16.998 1.089 4.418 874 H VAL 120 H VAL 120 14.890 3.029 1.334 875 HA VAL 120 HA VAL 120 13.069 0.859 1.519 876 HB VAL 120 HB VAL 120 12.562 1.379 -0.865 877 1HG1 VAL 120 1HG1 VAL 120 12.168 3.014 1.432 878 2HG1 VAL 120 2HG1 VAL 120 12.344 4.056 0.019 879 3HG1 VAL 120 3HG1 VAL 120 11.112 2.794 0.037 880 1HG2 VAL 120 1HG2 VAL 120 15.103 2.392 -0.945 881 2HG2 VAL 120 2HG2 VAL 120 13.854 2.675 -2.158 882 3HG2 VAL 120 3HG2 VAL 120 14.118 3.853 -0.872 883 H GLN 121 H GLN 121 16.204 1.357 0.020 884 HA GLN 121 HA GLN 121 16.271 -0.915 -1.623 885 1HB GLN 121 1HB GLN 121 18.216 0.983 -0.515 886 2HB GLN 121 2HB GLN 121 18.876 -0.626 -0.771 887 1HG GLN 121 1HG GLN 121 17.305 0.622 -2.962 888 2HG GLN 121 2HG GLN 121 18.939 1.208 -2.653 889 2HE2 GLN 121 2HE2 GLN 121 20.681 -0.111 -3.074 890 1HE2 GLN 121 1HE2 GLN 121 20.548 -1.585 -3.967 891 H ALA 122 H ALA 122 16.422 -0.507 1.767 892 HA ALA 122 HA ALA 122 17.531 -3.150 2.265 893 1HB ALA 122 1HB ALA 122 17.028 -0.729 3.865 894 2HB ALA 122 2HB ALA 122 16.789 -2.260 4.708 895 3HB ALA 122 3HB ALA 122 18.344 -1.900 3.957 896 H TRP 123 H TRP 123 14.474 -1.553 1.994 897 HA TRP 123 HA TRP 123 12.884 -3.241 3.584 898 1HB TRP 123 1HB TRP 123 12.388 -1.387 1.314 899 2HB TRP 123 2HB TRP 123 11.126 -2.558 1.685 900 HD1 TRP 123 HD1 TRP 123 11.697 0.846 2.339 901 HE1 TRP 123 HE1 TRP 123 10.748 1.623 4.603 902 HE3 TRP 123 HE3 TRP 123 11.071 -3.681 4.595 903 HZ2 TRP 123 HZ2 TRP 123 9.863 0.434 6.997 904 HZ3 TRP 123 HZ3 TRP 123 10.171 -3.784 6.862 905 HH2 TRP 123 HH2 TRP 123 9.574 -1.744 8.051 906 H ILE 124 H ILE 124 14.533 -3.864 0.676 907 HA ILE 124 HA ILE 124 13.053 -6.393 0.358 908 HB ILE 124 HB ILE 124 13.774 -6.264 -2.085 909 1HG1 ILE 124 1HG1 ILE 124 13.684 -3.308 -1.854 910 2HG1 ILE 124 2HG1 ILE 124 15.177 -4.088 -1.341 911 1HG2 ILE 124 1HG2 ILE 124 11.490 -5.403 -0.745 912 2HG2 ILE 124 2HG2 ILE 124 11.830 -4.143 -1.931 913 3HG2 ILE 124 3HG2 ILE 124 11.630 -5.816 -2.454 914 1HD1 ILE 124 1HD1 ILE 124 14.992 -5.303 -3.637 915 2HD1 ILE 124 2HD1 ILE 124 13.943 -3.945 -4.046 916 3HD1 ILE 124 3HD1 ILE 124 15.610 -3.654 -3.548 917 H ARG 125 H ARG 125 15.698 -5.290 1.590 918 HA ARG 125 HA ARG 125 17.831 -6.567 0.248 919 1HB ARG 125 1HB ARG 125 17.858 -4.755 2.120 920 2HB ARG 125 2HB ARG 125 17.825 -6.129 3.216 921 1HG ARG 125 1HG ARG 125 19.863 -6.999 2.084 922 2HG ARG 125 2HG ARG 125 19.922 -5.501 1.153 923 1HD ARG 125 1HD ARG 125 19.624 -4.933 3.957 924 2HD ARG 125 2HD ARG 125 21.012 -5.986 3.690 925 HE ARG 125 HE ARG 125 20.739 -3.232 2.892 926 1HH1 ARG 125 1HH1 ARG 125 22.402 -6.242 2.330 927 2HH1 ARG 125 2HH1 ARG 125 23.790 -5.490 1.617 928 1HH2 ARG 125 1HH2 ARG 125 22.561 -2.234 1.953 929 2HH2 ARG 125 2HH2 ARG 125 23.880 -3.212 1.403 930 H GLY 126 H GLY 126 17.342 -8.684 -0.258 931 1HA GLY 126 1HA GLY 126 16.963 -10.502 2.041 932 2HA GLY 126 2HA GLY 126 18.098 -10.860 0.749 933 H CYS 127 H CYS 127 15.434 -9.343 -0.549 934 HA CYS 127 HA CYS 127 13.559 -11.419 -0.669 935 1HB CYS 127 1HB CYS 127 13.983 -8.885 -2.034 936 2HB CYS 127 2HB CYS 127 12.939 -10.029 -2.853 937 H ARG 128 H ARG 128 12.841 -11.945 -3.174 938 HA ARG 128 HA ARG 128 15.214 -13.088 -4.485 939 1HB ARG 128 1HB ARG 128 13.048 -14.506 -3.242 940 2HB ARG 128 2HB ARG 128 13.045 -14.830 -4.970 941 1HG ARG 128 1HG ARG 128 15.723 -15.002 -4.073 942 2HG ARG 128 2HG ARG 128 14.717 -15.925 -2.955 943 1HD ARG 128 1HD ARG 128 14.762 -16.221 -5.957 944 2HD ARG 128 2HD ARG 128 15.517 -17.316 -4.800 945 HE ARG 128 HE ARG 128 13.242 -17.812 -3.992 946 1HH1 ARG 128 1HH1 ARG 128 13.637 -16.409 -7.158 947 2HH1 ARG 128 2HH1 ARG 128 12.134 -17.025 -7.759 948 1HH2 ARG 128 1HH2 ARG 128 11.262 -18.626 -4.775 949 2HH2 ARG 128 2HH2 ARG 128 10.784 -18.283 -6.404 950 H LEU 129 H LEU 129 15.064 -11.276 -5.922 951 HA LEU 129 HA LEU 129 12.899 -11.566 -7.900 952 1HB LEU 129 1HB LEU 129 14.324 -8.968 -7.526 953 2HB LEU 129 2HB LEU 129 12.722 -9.271 -8.168 954 HG LEU 129 HG LEU 129 13.405 -9.653 -5.258 955 1HD1 LEU 129 1HD1 LEU 129 13.144 -7.205 -6.729 956 2HD1 LEU 129 2HD1 LEU 129 11.825 -7.363 -5.571 957 3HD1 LEU 129 3HD1 LEU 129 13.498 -7.451 -5.019 958 1HD2 LEU 129 1HD2 LEU 129 11.245 -10.499 -6.699 959 2HD2 LEU 129 2HD2 LEU 129 11.253 -10.192 -4.963 960 3HD2 LEU 129 3HD2 LEU 129 10.689 -8.946 -6.075 No H/Q in entry = 960 Start of MODEL 40 1 H1 LYS 1 H1 LYS 1 -7.067 -9.799 1.497 2 H2 LYS 1 H2 LYS 1 -7.755 -11.337 1.648 3 H3 LYS 1 H3 LYS 1 -6.857 -10.684 2.923 4 HA LYS 1 HA LYS 1 -5.222 -11.952 2.101 5 1HB LYS 1 1HB LYS 1 -7.158 -12.272 0.065 6 2HB LYS 1 2HB LYS 1 -5.645 -11.886 -0.744 7 1HG LYS 1 1HG LYS 1 -4.544 -13.734 0.361 8 2HG LYS 1 2HG LYS 1 -6.015 -14.095 1.269 9 1HD LYS 1 1HD LYS 1 -6.306 -15.583 -0.420 10 2HD LYS 1 2HD LYS 1 -7.018 -14.173 -1.207 11 1HE LYS 1 1HE LYS 1 -5.011 -13.737 -2.413 12 2HE LYS 1 2HE LYS 1 -4.115 -14.929 -1.471 13 1HZ LYS 1 1HZ LYS 1 -5.492 -16.667 -2.442 14 2HZ LYS 1 2HZ LYS 1 -6.338 -15.520 -3.352 15 3HZ LYS 1 3HZ LYS 1 -4.694 -15.789 -3.647 16 H VAL 2 H VAL 2 -3.593 -10.556 2.484 17 HA VAL 2 HA VAL 2 -3.152 -8.270 0.740 18 HB VAL 2 HB VAL 2 -1.777 -9.209 3.258 19 1HG1 VAL 2 1HG1 VAL 2 -0.408 -7.917 1.333 20 2HG1 VAL 2 2HG1 VAL 2 -1.119 -6.543 2.176 21 3HG1 VAL 2 3HG1 VAL 2 -0.110 -7.688 3.056 22 1HG2 VAL 2 1HG2 VAL 2 -4.055 -7.643 2.790 23 2HG2 VAL 2 2HG2 VAL 2 -3.210 -7.885 4.319 24 3HG2 VAL 2 3HG2 VAL 2 -2.785 -6.522 3.283 25 H PHE 3 H PHE 3 -1.229 -7.919 -0.453 26 HA PHE 3 HA PHE 3 -0.169 -10.169 -1.781 27 1HB PHE 3 1HB PHE 3 0.365 -7.234 -1.751 28 2HB PHE 3 2HB PHE 3 1.602 -8.282 -2.430 29 HD1 PHE 3 HD1 PHE 3 1.133 -9.608 -4.435 30 HD2 PHE 3 HD2 PHE 3 -1.680 -6.830 -2.870 31 HE1 PHE 3 HE1 PHE 3 -0.067 -9.619 -6.580 32 HE2 PHE 3 HE2 PHE 3 -2.890 -6.838 -5.008 33 HZ PHE 3 HZ PHE 3 -2.082 -8.235 -6.870 34 H GLY 4 H GLY 4 2.156 -10.599 -1.939 35 1HA GLY 4 1HA GLY 4 3.859 -11.684 -0.712 36 2HA GLY 4 2HA GLY 4 3.334 -10.817 0.726 37 H ARG 5 H ARG 5 5.525 -10.210 1.156 38 HA ARG 5 HA ARG 5 6.235 -7.672 0.315 39 1HB ARG 5 1HB ARG 5 8.056 -9.857 1.343 40 2HB ARG 5 2HB ARG 5 8.479 -8.153 1.249 41 1HG ARG 5 1HG ARG 5 7.010 -7.567 2.956 42 2HG ARG 5 2HG ARG 5 6.090 -9.067 2.805 43 1HD ARG 5 1HD ARG 5 7.829 -10.336 3.796 44 2HD ARG 5 2HD ARG 5 8.970 -8.997 3.674 45 HE ARG 5 HE ARG 5 6.650 -8.461 5.306 46 1HH1 ARG 5 1HH1 ARG 5 9.918 -9.667 5.226 47 2HH1 ARG 5 2HH1 ARG 5 10.200 -9.383 6.911 48 1HH2 ARG 5 1HH2 ARG 5 7.013 -8.083 7.524 49 2HH2 ARG 5 2HH2 ARG 5 8.549 -8.482 8.217 50 H CYS 6 H CYS 6 7.978 -10.643 -0.642 51 HA CYS 6 HA CYS 6 9.098 -9.233 -2.890 52 1HB CYS 6 1HB CYS 6 9.342 -12.189 -2.647 53 2HB CYS 6 2HB CYS 6 10.524 -10.986 -3.155 54 H GLU 7 H GLU 7 6.572 -11.614 -2.315 55 HA GLU 7 HA GLU 7 6.076 -12.561 -4.842 56 1HB GLU 7 1HB GLU 7 4.771 -12.898 -2.583 57 2HB GLU 7 2HB GLU 7 3.765 -11.590 -3.192 58 1HG GLU 7 1HG GLU 7 3.565 -13.019 -5.319 59 2HG GLU 7 2HG GLU 7 4.162 -14.335 -4.310 60 H LEU 8 H LEU 8 4.903 -9.554 -3.407 61 HA LEU 8 HA LEU 8 3.728 -8.573 -5.798 62 1HB LEU 8 1HB LEU 8 2.800 -7.556 -3.958 63 2HB LEU 8 2HB LEU 8 4.330 -7.452 -3.108 64 HG LEU 8 HG LEU 8 4.758 -5.749 -5.205 65 1HD1 LEU 8 1HD1 LEU 8 1.981 -6.155 -5.172 66 2HD1 LEU 8 2HD1 LEU 8 2.266 -4.563 -4.472 67 3HD1 LEU 8 3HD1 LEU 8 2.893 -4.946 -6.074 68 1HD2 LEU 8 1HD2 LEU 8 4.545 -5.629 -2.417 69 2HD2 LEU 8 2HD2 LEU 8 5.252 -4.429 -3.499 70 3HD2 LEU 8 3HD2 LEU 8 3.554 -4.310 -3.040 71 H ALA 9 H ALA 9 6.928 -8.170 -4.260 72 HA ALA 9 HA ALA 9 7.816 -6.064 -5.887 73 1HB ALA 9 1HB ALA 9 9.111 -6.522 -4.001 74 2HB ALA 9 2HB ALA 9 10.121 -6.998 -5.366 75 3HB ALA 9 3HB ALA 9 9.281 -8.227 -4.421 76 H ALA 10 H ALA 10 8.351 -9.575 -6.292 77 HA ALA 10 HA ALA 10 9.733 -9.500 -8.681 78 1HB ALA 10 1HB ALA 10 9.261 -11.776 -8.906 79 2HB ALA 10 2HB ALA 10 7.689 -11.625 -8.120 80 3HB ALA 10 3HB ALA 10 9.168 -11.503 -7.166 81 H ALA 11 H ALA 11 6.224 -9.574 -8.121 82 HA ALA 11 HA ALA 11 5.465 -9.628 -10.814 83 1HB ALA 11 1HB ALA 11 3.518 -9.949 -9.778 84 2HB ALA 11 2HB ALA 11 4.155 -9.280 -8.276 85 3HB ALA 11 3HB ALA 11 3.470 -8.209 -9.499 86 H MET 12 H MET 12 6.219 -7.083 -8.657 87 HA MET 12 HA MET 12 5.478 -4.903 -10.305 88 1HB MET 12 1HB MET 12 7.449 -5.075 -8.038 89 2HB MET 12 2HB MET 12 6.995 -3.576 -8.809 90 1HG MET 12 1HG MET 12 4.716 -3.829 -8.111 91 2HG MET 12 2HG MET 12 5.055 -5.431 -7.460 92 1HE MET 12 1HE MET 12 6.399 -1.988 -7.603 93 2HE MET 12 2HE MET 12 5.192 -1.474 -6.425 94 3HE MET 12 3HE MET 12 6.893 -1.559 -5.965 95 H LYS 13 H LYS 13 8.559 -6.585 -9.795 96 HA LYS 13 HA LYS 13 10.223 -4.993 -11.328 97 1HB LYS 13 1HB LYS 13 10.764 -7.126 -9.950 98 2HB LYS 13 2HB LYS 13 10.386 -7.998 -11.430 99 1HG LYS 13 1HG LYS 13 12.171 -5.890 -12.082 100 2HG LYS 13 2HG LYS 13 12.814 -6.752 -10.683 101 1HD LYS 13 1HD LYS 13 12.641 -8.862 -11.874 102 2HD LYS 13 2HD LYS 13 11.917 -8.041 -13.260 103 1HE LYS 13 1HE LYS 13 14.213 -6.614 -12.898 104 2HE LYS 13 2HE LYS 13 14.722 -8.237 -12.434 105 1HZ LYS 13 1HZ LYS 13 13.255 -8.571 -14.730 106 2HZ LYS 13 2HZ LYS 13 14.192 -7.193 -15.025 107 3HZ LYS 13 3HZ LYS 13 14.940 -8.645 -14.588 108 H ARG 14 H ARG 14 7.965 -7.514 -12.245 109 HA ARG 14 HA ARG 14 8.571 -7.432 -15.031 110 1HB ARG 14 1HB ARG 14 6.828 -8.924 -13.274 111 2HB ARG 14 2HB ARG 14 5.947 -8.392 -14.699 112 1HG ARG 14 1HG ARG 14 8.315 -9.340 -15.739 113 2HG ARG 14 2HG ARG 14 7.964 -10.459 -14.419 114 1HD ARG 14 1HD ARG 14 6.848 -11.423 -16.202 115 2HD ARG 14 2HD ARG 14 5.573 -10.494 -15.414 116 HE ARG 14 HE ARG 14 5.472 -9.118 -17.251 117 1HH1 ARG 14 1HH1 ARG 14 8.321 -11.115 -17.445 118 2HH1 ARG 14 2HH1 ARG 14 8.681 -10.664 -19.079 119 1HH2 ARG 14 1HH2 ARG 14 5.939 -8.520 -19.401 120 2HH2 ARG 14 2HH2 ARG 14 7.328 -9.190 -20.190 121 H HIS 15 H HIS 15 6.223 -5.850 -12.887 122 HA HIS 15 HA HIS 15 4.752 -4.653 -15.003 123 1HB HIS 15 1HB HIS 15 4.868 -4.189 -12.028 124 2HB HIS 15 2HB HIS 15 3.840 -3.236 -13.090 125 HD1 HIS 15 HD1 HIS 15 2.031 -4.387 -11.368 126 HD2 HIS 15 HD2 HIS 15 3.731 -6.816 -14.278 127 HE1 HIS 15 HE1 HIS 15 0.504 -6.369 -11.560 128 HE2 HIS 15 HE2 HIS 15 1.503 -7.785 -13.392 129 H GLY 16 H GLY 16 7.843 -3.945 -13.744 130 1HA GLY 16 1HA GLY 16 7.825 -1.492 -15.219 131 2HA GLY 16 2HA GLY 16 9.210 -2.289 -14.507 132 H LEU 17 H LEU 17 7.656 -2.232 -11.743 133 HA LEU 17 HA LEU 17 7.562 0.605 -11.318 134 1HB LEU 17 1HB LEU 17 7.682 -1.358 -9.071 135 2HB LEU 17 2HB LEU 17 6.865 0.188 -9.133 136 HG LEU 17 HG LEU 17 5.901 -2.477 -9.821 137 1HD1 LEU 17 1HD1 LEU 17 5.095 -0.258 -8.333 138 2HD1 LEU 17 2HD1 LEU 17 3.919 -0.398 -9.641 139 3HD1 LEU 17 3HD1 LEU 17 4.212 -1.766 -8.567 140 1HD2 LEU 17 1HD2 LEU 17 5.534 -0.220 -11.758 141 2HD2 LEU 17 2HD2 LEU 17 5.852 -1.926 -12.079 142 3HD2 LEU 17 3HD2 LEU 17 4.258 -1.415 -11.524 143 H ASP 18 H ASP 18 9.967 -1.572 -11.586 144 HA ASP 18 HA ASP 18 11.794 -0.464 -9.646 145 1HB ASP 18 1HB ASP 18 12.108 -2.778 -10.175 146 2HB ASP 18 2HB ASP 18 12.148 -2.443 -11.903 147 H ASN 19 H ASN 19 11.858 1.711 -10.144 148 HA ASN 19 HA ASN 19 13.016 3.515 -10.983 149 1HB ASN 19 1HB ASN 19 14.543 1.608 -12.085 150 2HB ASN 19 2HB ASN 19 13.759 2.195 -13.548 151 2HD2 ASN 19 2HD2 ASN 19 16.549 2.380 -12.378 152 1HD2 ASN 19 1HD2 ASN 19 16.944 4.056 -12.507 153 H TYR 20 H TYR 20 10.323 2.942 -11.239 154 HA TYR 20 HA TYR 20 9.511 3.645 -13.944 155 1HB TYR 20 1HB TYR 20 8.287 1.981 -12.434 156 2HB TYR 20 2HB TYR 20 7.666 3.392 -11.582 157 HD1 TYR 20 HD1 TYR 20 7.830 1.800 -14.938 158 HD2 TYR 20 HD2 TYR 20 5.793 4.543 -12.403 159 HE1 TYR 20 HE1 TYR 20 6.044 2.012 -16.614 160 HE2 TYR 20 HE2 TYR 20 4.001 4.762 -14.072 161 HH TYR 20 HH TYR 20 3.179 2.951 -16.139 162 H ARG 21 H ARG 21 9.251 5.663 -14.615 163 HA ARG 21 HA ARG 21 9.030 7.930 -14.612 164 1HB ARG 21 1HB ARG 21 7.195 6.995 -12.524 165 2HB ARG 21 2HB ARG 21 7.744 8.648 -12.277 166 1HG ARG 21 1HG ARG 21 5.708 8.704 -13.518 167 2HG ARG 21 2HG ARG 21 7.023 9.173 -14.594 168 1HD ARG 21 1HD ARG 21 6.892 6.437 -14.903 169 2HD ARG 21 2HD ARG 21 5.201 6.907 -14.741 170 HE ARG 21 HE ARG 21 6.001 8.660 -16.549 171 1HH1 ARG 21 1HH1 ARG 21 6.694 5.253 -16.313 172 2HH1 ARG 21 2HH1 ARG 21 6.853 5.035 -18.023 173 1HH2 ARG 21 1HH2 ARG 21 6.207 8.382 -18.803 174 2HH2 ARG 21 2HH2 ARG 21 6.576 6.814 -19.439 175 H GLY 22 H GLY 22 11.075 6.355 -13.086 176 1HA GLY 22 1HA GLY 22 12.337 8.663 -11.800 177 2HA GLY 22 2HA GLY 22 13.167 7.233 -12.385 178 H TYR 23 H TYR 23 10.602 5.941 -10.755 179 HA TYR 23 HA TYR 23 12.041 6.110 -8.207 180 1HB TYR 23 1HB TYR 23 9.152 5.801 -8.852 181 2HB TYR 23 2HB TYR 23 9.766 5.140 -7.337 182 HD1 TYR 23 HD1 TYR 23 11.466 6.898 -6.120 183 HD2 TYR 23 HD2 TYR 23 8.235 7.911 -8.696 184 HE1 TYR 23 HE1 TYR 23 11.361 9.132 -5.098 185 HE2 TYR 23 HE2 TYR 23 8.121 10.147 -7.679 186 HH TYR 23 HH TYR 23 8.929 11.508 -6.125 187 H SER 24 H SER 24 13.026 4.436 -7.391 188 HA SER 24 HA SER 24 13.096 1.963 -8.814 189 1HB SER 24 1HB SER 24 14.684 1.268 -7.042 190 2HB SER 24 2HB SER 24 15.115 2.826 -7.745 191 HG SER 24 HG SER 24 14.834 3.723 -5.869 192 H LEU 25 H LEU 25 12.681 -0.106 -7.871 193 HA LEU 25 HA LEU 25 10.151 -0.575 -7.042 194 1HB LEU 25 1HB LEU 25 12.661 -2.064 -6.989 195 2HB LEU 25 2HB LEU 25 11.510 -2.604 -5.781 196 HG LEU 25 HG LEU 25 10.852 -2.352 -8.712 197 1HD1 LEU 25 1HD1 LEU 25 11.948 -4.646 -7.127 198 2HD1 LEU 25 2HD1 LEU 25 10.952 -4.911 -8.557 199 3HD1 LEU 25 3HD1 LEU 25 12.471 -4.026 -8.692 200 1HD2 LEU 25 1HD2 LEU 25 9.313 -2.854 -6.339 201 2HD2 LEU 25 2HD2 LEU 25 8.770 -2.654 -8.005 202 3HD2 LEU 25 3HD2 LEU 25 9.249 -4.246 -7.418 203 H GLY 26 H GLY 26 12.942 -0.370 -4.815 204 1HA GLY 26 1HA GLY 26 13.039 0.348 -2.631 205 2HA GLY 26 2HA GLY 26 11.755 -0.828 -2.419 206 H ASN 27 H ASN 27 11.561 2.220 -4.216 207 HA ASN 27 HA ASN 27 10.305 3.682 -2.136 208 1HB ASN 27 1HB ASN 27 10.261 4.152 -5.121 209 2HB ASN 27 2HB ASN 27 9.754 5.316 -3.901 210 2HD2 ASN 27 2HD2 ASN 27 12.102 4.804 -5.954 211 1HD2 ASN 27 1HD2 ASN 27 13.469 5.384 -5.073 212 H TRP 28 H TRP 28 9.118 1.635 -4.699 213 HA TRP 28 HA TRP 28 6.362 2.360 -4.379 214 1HB TRP 28 1HB TRP 28 7.594 0.009 -5.807 215 2HB TRP 28 2HB TRP 28 5.929 0.570 -5.968 216 HD1 TRP 28 HD1 TRP 28 9.475 1.398 -7.032 217 HE1 TRP 28 HE1 TRP 28 9.405 3.241 -8.812 218 HE3 TRP 28 HE3 TRP 28 4.523 2.541 -6.785 219 HZ2 TRP 28 HZ2 TRP 28 7.521 4.974 -9.979 220 HZ3 TRP 28 HZ3 TRP 28 3.623 4.292 -8.258 221 HH2 TRP 28 HH2 TRP 28 5.096 5.491 -9.831 222 H VAL 29 H VAL 29 8.484 -0.126 -3.092 223 HA VAL 29 HA VAL 29 6.385 -1.737 -2.041 224 HB VAL 29 HB VAL 29 9.320 -1.618 -1.333 225 1HG1 VAL 29 1HG1 VAL 29 7.982 -2.556 0.498 226 2HG1 VAL 29 2HG1 VAL 29 7.282 -3.726 -0.622 227 3HG1 VAL 29 3HG1 VAL 29 9.008 -3.776 -0.259 228 1HG2 VAL 29 1HG2 VAL 29 7.885 -2.737 -3.556 229 2HG2 VAL 29 2HG2 VAL 29 9.623 -2.664 -3.268 230 3HG2 VAL 29 3HG2 VAL 29 8.680 -4.014 -2.635 231 H CYS 30 H CYS 30 8.646 0.600 -0.609 232 HA CYS 30 HA CYS 30 7.662 0.432 2.009 233 1HB CYS 30 1HB CYS 30 9.824 1.506 1.258 234 2HB CYS 30 2HB CYS 30 8.869 2.897 0.754 235 H ALA 31 H ALA 31 6.782 2.624 -0.663 236 HA ALA 31 HA ALA 31 4.981 4.209 0.790 237 1HB ALA 31 1HB ALA 31 6.014 4.442 -1.626 238 2HB ALA 31 2HB ALA 31 4.494 3.680 -2.095 239 3HB ALA 31 3HB ALA 31 4.478 5.202 -1.205 240 H ALA 32 H ALA 32 4.450 1.315 -1.200 241 HA ALA 32 HA ALA 32 1.640 1.261 -0.847 242 1HB ALA 32 1HB ALA 32 2.140 -0.009 -2.644 243 2HB ALA 32 2HB ALA 32 2.188 -1.299 -1.442 244 3HB ALA 32 3HB ALA 32 3.686 -0.537 -1.978 245 H LYS 33 H LYS 33 4.315 -0.317 0.863 246 HA LYS 33 HA LYS 33 2.886 -2.068 2.452 247 1HB LYS 33 1HB LYS 33 5.400 -1.857 2.224 248 2HB LYS 33 2HB LYS 33 5.309 -0.534 3.377 249 1HG LYS 33 1HG LYS 33 3.974 -2.401 4.753 250 2HG LYS 33 2HG LYS 33 5.031 -3.440 3.796 251 1HD LYS 33 1HD LYS 33 6.827 -1.627 4.597 252 2HD LYS 33 2HD LYS 33 5.691 -1.509 5.944 253 1HE LYS 33 1HE LYS 33 6.982 -4.045 4.943 254 2HE LYS 33 2HE LYS 33 7.463 -3.147 6.382 255 1HZ LYS 33 1HZ LYS 33 4.924 -3.500 6.944 256 2HZ LYS 33 2HZ LYS 33 5.130 -4.850 5.946 257 3HZ LYS 33 3HZ LYS 33 6.090 -4.665 7.326 258 H PHE 34 H PHE 34 3.893 1.251 3.298 259 HA PHE 34 HA PHE 34 2.363 1.168 5.693 260 1HB PHE 34 1HB PHE 34 4.141 3.077 4.421 261 2HB PHE 34 2HB PHE 34 2.953 3.765 5.510 262 HD1 PHE 34 HD1 PHE 34 2.862 2.845 7.877 263 HD2 PHE 34 HD2 PHE 34 6.095 2.093 5.214 264 HE1 PHE 34 HE1 PHE 34 4.292 2.246 9.788 265 HE2 PHE 34 HE2 PHE 34 7.531 1.493 7.119 266 HZ PHE 34 HZ PHE 34 6.630 1.569 9.411 267 H GLU 35 H GLU 35 1.588 1.937 2.480 268 HA GLU 35 HA GLU 35 -0.516 3.785 3.118 269 1HB GLU 35 1HB GLU 35 0.828 2.824 0.766 270 2HB GLU 35 2HB GLU 35 -0.909 2.682 0.545 271 1HG GLU 35 1HG GLU 35 0.752 5.126 0.966 272 2HG GLU 35 2HG GLU 35 -0.453 4.790 -0.276 273 H SER 36 H SER 36 -0.370 0.457 1.907 274 HA SER 36 HA SER 36 -3.074 0.011 3.000 275 1HB SER 36 1HB SER 36 -3.551 -1.411 1.021 276 2HB SER 36 2HB SER 36 -3.240 0.267 0.578 277 HG SER 36 HG SER 36 -1.276 -1.776 0.527 278 H ASN 37 H ASN 37 0.086 -0.927 3.191 279 HA ASN 37 HA ASN 37 1.155 -2.743 4.072 280 1HB ASN 37 1HB ASN 37 -1.563 -2.874 5.222 281 2HB ASN 37 2HB ASN 37 -0.682 -4.399 5.230 282 2HD2 ASN 37 2HD2 ASN 37 -1.418 -1.949 7.124 283 1HD2 ASN 37 1HD2 ASN 37 0.001 -1.838 8.101 284 H PHE 38 H PHE 38 0.009 -2.710 1.408 285 HA PHE 38 HA PHE 38 -0.088 -3.949 -0.433 286 1HB PHE 38 1HB PHE 38 0.905 -6.224 1.297 287 2HB PHE 38 2HB PHE 38 0.938 -6.148 -0.462 288 HD1 PHE 38 HD1 PHE 38 1.910 -3.574 -1.125 289 HD2 PHE 38 HD2 PHE 38 3.054 -6.077 2.121 290 HE1 PHE 38 HE1 PHE 38 4.099 -2.460 -1.050 291 HE2 PHE 38 HE2 PHE 38 5.249 -4.966 2.202 292 HZ PHE 38 HZ PHE 38 5.776 -3.160 0.614 293 H ASN 39 H ASN 39 -2.360 -3.755 1.463 294 HA ASN 39 HA ASN 39 -3.771 -6.255 1.140 295 1HB ASN 39 1HB ASN 39 -4.158 -4.880 3.142 296 2HB ASN 39 2HB ASN 39 -4.747 -3.567 2.132 297 2HD2 ASN 39 2HD2 ASN 39 -6.630 -3.798 3.554 298 1HD2 ASN 39 1HD2 ASN 39 -7.847 -4.947 3.127 299 H THR 40 H THR 40 -4.571 -6.792 -0.732 300 HA THR 40 HA THR 40 -4.800 -5.093 -2.943 301 HB THR 40 HB THR 40 -5.413 -6.948 -4.135 302 HG1 THR 40 HG1 THR 40 -6.738 -8.657 -3.048 303 1HG2 THR 40 1HG2 THR 40 -3.474 -7.486 -2.555 304 2HG2 THR 40 2HG2 THR 40 -4.643 -8.462 -1.667 305 3HG2 THR 40 3HG2 THR 40 -4.280 -8.838 -3.351 306 H GLN 41 H GLN 41 -6.867 -5.762 -0.330 307 HA GLN 41 HA GLN 41 -9.166 -4.549 -1.672 308 1HB GLN 41 1HB GLN 41 -8.761 -6.600 0.406 309 2HB GLN 41 2HB GLN 41 -10.127 -5.544 0.633 310 1HG GLN 41 1HG GLN 41 -11.262 -6.396 -1.143 311 2HG GLN 41 2HG GLN 41 -9.787 -6.735 -2.047 312 2HE2 GLN 41 2HE2 GLN 41 -11.600 -7.786 0.806 313 1HE2 GLN 41 1HE2 GLN 41 -11.197 -9.460 0.662 314 H ALA 42 H ALA 42 -6.672 -3.534 0.161 315 HA ALA 42 HA ALA 42 -7.804 -2.215 2.341 316 1HB ALA 42 1HB ALA 42 -5.264 -2.348 1.088 317 2HB ALA 42 2HB ALA 42 -5.667 -1.827 2.723 318 3HB ALA 42 3HB ALA 42 -5.644 -0.656 1.405 319 H THR 43 H THR 43 -9.109 -0.567 2.526 320 HA THR 43 HA THR 43 -9.223 1.464 0.392 321 HB THR 43 HB THR 43 -11.530 1.568 0.462 322 HG1 THR 43 HG1 THR 43 -12.296 0.129 2.574 323 1HG2 THR 43 1HG2 THR 43 -10.649 -0.758 -0.217 324 2HG2 THR 43 2HG2 THR 43 -11.312 -1.298 1.325 325 3HG2 THR 43 3HG2 THR 43 -12.374 -0.584 0.111 326 H ASN 44 H ASN 44 -8.998 3.568 1.112 327 HA ASN 44 HA ASN 44 -9.174 4.007 4.020 328 1HB ASN 44 1HB ASN 44 -6.808 3.941 2.773 329 2HB ASN 44 2HB ASN 44 -7.228 5.621 2.453 330 2HD2 ASN 44 2HD2 ASN 44 -8.257 6.653 4.551 331 1HD2 ASN 44 1HD2 ASN 44 -7.287 6.462 5.967 332 H ARG 45 H ARG 45 -10.934 5.222 4.292 333 HA ARG 45 HA ARG 45 -11.763 7.158 2.317 334 1HB ARG 45 1HB ARG 45 -12.932 6.683 5.061 335 2HB ARG 45 2HB ARG 45 -13.704 7.488 3.702 336 1HG ARG 45 1HG ARG 45 -14.116 5.516 2.590 337 2HG ARG 45 2HG ARG 45 -12.815 4.655 3.418 338 1HD ARG 45 1HD ARG 45 -15.110 5.674 5.020 339 2HD ARG 45 2HD ARG 45 -15.345 4.235 4.028 340 HE ARG 45 HE ARG 45 -13.351 3.326 5.279 341 1HH1 ARG 45 1HH1 ARG 45 -15.488 5.708 6.659 342 2HH1 ARG 45 2HH1 ARG 45 -15.172 5.232 8.293 343 1HH2 ARG 45 1HH2 ARG 45 -12.928 2.693 7.429 344 2HH2 ARG 45 2HH2 ARG 45 -13.716 3.519 8.731 345 H ASN 46 H ASN 46 -11.249 9.238 2.279 346 HA ASN 46 HA ASN 46 -9.923 10.409 4.625 347 1HB ASN 46 1HB ASN 46 -9.930 11.635 1.882 348 2HB ASN 46 2HB ASN 46 -8.762 11.845 3.183 349 2HD2 ASN 46 2HD2 ASN 46 -9.168 10.524 0.253 350 1HD2 ASN 46 1HD2 ASN 46 -8.036 9.222 0.340 351 H THR 47 H THR 47 -10.220 12.942 4.568 352 HA THR 47 HA THR 47 -13.100 13.376 4.799 353 HB THR 47 HB THR 47 -12.454 15.461 6.013 354 HG1 THR 47 HG1 THR 47 -10.111 15.004 4.922 355 1HG2 THR 47 1HG2 THR 47 -12.010 12.719 6.851 356 2HG2 THR 47 2HG2 THR 47 -11.016 13.855 7.761 357 3HG2 THR 47 3HG2 THR 47 -12.768 14.053 7.719 358 H ASP 48 H ASP 48 -10.462 14.225 2.770 359 HA ASP 48 HA ASP 48 -11.371 16.722 1.816 360 1HB ASP 48 1HB ASP 48 -9.820 16.393 -0.027 361 2HB ASP 48 2HB ASP 48 -9.069 15.879 1.479 362 H GLY 49 H GLY 49 -12.598 13.607 1.396 363 1HA GLY 49 1HA GLY 49 -14.345 14.584 -0.768 364 2HA GLY 49 2HA GLY 49 -14.767 13.327 0.385 365 H SER 50 H SER 50 -12.442 11.773 0.211 366 HA SER 50 HA SER 50 -13.003 10.365 -2.241 367 1HB SER 50 1HB SER 50 -10.355 10.323 -2.613 368 2HB SER 50 2HB SER 50 -11.391 11.533 -3.365 369 HG SER 50 HG SER 50 -10.765 13.008 -1.869 370 H THR 51 H THR 51 -11.283 8.471 -2.407 371 HA THR 51 HA THR 51 -10.643 7.439 0.257 372 HB THR 51 HB THR 51 -11.995 5.573 -1.645 373 HG1 THR 51 HG1 THR 51 -14.009 6.186 -0.826 374 1HG2 THR 51 1HG2 THR 51 -10.844 5.070 0.669 375 2HG2 THR 51 2HG2 THR 51 -12.385 5.639 1.311 376 3HG2 THR 51 3HG2 THR 51 -12.343 4.261 0.210 377 H ASP 52 H ASP 52 -9.443 5.299 0.066 378 HA ASP 52 HA ASP 52 -7.692 5.330 -2.308 379 1HB ASP 52 1HB ASP 52 -6.967 4.755 0.573 380 2HB ASP 52 2HB ASP 52 -5.879 4.529 -0.794 381 H TYR 53 H TYR 53 -9.007 3.784 -3.322 382 HA TYR 53 HA TYR 53 -9.176 1.168 -2.033 383 1HB TYR 53 1HB TYR 53 -10.317 2.022 -4.699 384 2HB TYR 53 2HB TYR 53 -10.675 0.542 -3.822 385 HD1 TYR 53 HD1 TYR 53 -11.723 0.874 -1.442 386 HD2 TYR 53 HD2 TYR 53 -11.756 3.818 -4.509 387 HE1 TYR 53 HE1 TYR 53 -13.653 1.957 -0.372 388 HE2 TYR 53 HE2 TYR 53 -13.690 4.908 -3.452 389 HH TYR 53 HH TYR 53 -15.569 3.460 -1.122 390 H GLY 54 H GLY 54 -6.814 0.727 -2.221 391 1HA GLY 54 1HA GLY 54 -5.648 0.634 -4.820 392 2HA GLY 54 2HA GLY 54 -6.185 -0.957 -4.303 393 H ILE 55 H ILE 55 -3.884 -1.523 -4.440 394 HA ILE 55 HA ILE 55 -2.647 -1.444 -1.882 395 HB ILE 55 HB ILE 55 -2.288 -3.271 -3.591 396 1HG1 ILE 55 1HG1 ILE 55 0.304 -1.997 -2.706 397 2HG1 ILE 55 2HG1 ILE 55 -0.791 -2.806 -1.590 398 1HG2 ILE 55 1HG2 ILE 55 -1.578 -1.131 -5.228 399 2HG2 ILE 55 2HG2 ILE 55 -0.073 -1.994 -4.917 400 3HG2 ILE 55 3HG2 ILE 55 -1.455 -2.850 -5.603 401 1HD1 ILE 55 1HD1 ILE 55 -0.156 -4.428 -3.912 402 2HD1 ILE 55 2HD1 ILE 55 1.267 -3.973 -2.975 403 3HD1 ILE 55 3HD1 ILE 55 -0.070 -4.818 -2.194 404 H LEU 56 H LEU 56 -2.547 0.492 -4.736 405 HA LEU 56 HA LEU 56 -0.416 2.162 -3.596 406 1HB LEU 56 1HB LEU 56 -0.875 1.265 -6.263 407 2HB LEU 56 2HB LEU 56 -1.130 2.998 -6.242 408 HG LEU 56 HG LEU 56 1.132 2.880 -6.771 409 1HD1 LEU 56 1HD1 LEU 56 0.572 4.017 -4.452 410 2HD1 LEU 56 2HD1 LEU 56 1.618 2.735 -3.841 411 3HD1 LEU 56 3HD1 LEU 56 2.228 3.875 -5.041 412 1HD2 LEU 56 1HD2 LEU 56 0.957 0.318 -5.360 413 2HD2 LEU 56 2HD2 LEU 56 1.926 0.787 -6.759 414 3HD2 LEU 56 3HD2 LEU 56 2.485 1.167 -5.130 415 H GLN 57 H GLN 57 -3.526 1.895 -3.252 416 HA GLN 57 HA GLN 57 -5.177 3.262 -2.571 417 1HB GLN 57 1HB GLN 57 -3.357 5.623 -2.981 418 2HB GLN 57 2HB GLN 57 -4.717 5.476 -1.876 419 1HG GLN 57 1HG GLN 57 -1.960 4.365 -1.643 420 2HG GLN 57 2HG GLN 57 -2.895 5.300 -0.478 421 2HE2 GLN 57 2HE2 GLN 57 -1.895 2.239 -1.421 422 1HE2 GLN 57 1HE2 GLN 57 -2.913 1.305 -0.386 423 H ILE 58 H ILE 58 -6.187 2.632 -4.691 424 HA ILE 58 HA ILE 58 -6.039 4.677 -6.736 425 HB ILE 58 HB ILE 58 -7.826 2.255 -6.744 426 1HG1 ILE 58 1HG1 ILE 58 -5.668 1.333 -6.412 427 2HG1 ILE 58 2HG1 ILE 58 -5.953 1.235 -8.145 428 1HG2 ILE 58 1HG2 ILE 58 -7.555 4.423 -8.478 429 2HG2 ILE 58 2HG2 ILE 58 -6.724 3.084 -9.270 430 3HG2 ILE 58 3HG2 ILE 58 -8.410 2.911 -8.783 431 1HD1 ILE 58 1HD1 ILE 58 -4.701 3.700 -7.715 432 2HD1 ILE 58 2HD1 ILE 58 -3.837 2.528 -6.721 433 3HD1 ILE 58 3HD1 ILE 58 -4.016 2.251 -8.453 434 H ASN 59 H ASN 59 -7.011 6.469 -5.947 435 HA ASN 59 HA ASN 59 -9.417 6.522 -4.498 436 1HB ASN 59 1HB ASN 59 -7.873 8.425 -4.543 437 2HB ASN 59 2HB ASN 59 -8.165 8.641 -6.267 438 2HD2 ASN 59 2HD2 ASN 59 -8.712 10.827 -5.568 439 1HD2 ASN 59 1HD2 ASN 59 -10.321 11.151 -5.030 440 H SER 60 H SER 60 -11.159 5.456 -5.355 441 HA SER 60 HA SER 60 -11.737 5.332 -8.111 442 1HB SER 60 1HB SER 60 -13.590 4.087 -7.504 443 2HB SER 60 2HB SER 60 -12.566 3.875 -6.084 444 HG SER 60 HG SER 60 -14.956 4.650 -5.968 445 H ARG 61 H ARG 61 -12.259 7.825 -5.807 446 HA ARG 61 HA ARG 61 -14.470 9.003 -7.286 447 1HB ARG 61 1HB ARG 61 -14.030 9.034 -4.684 448 2HB ARG 61 2HB ARG 61 -13.032 10.426 -5.083 449 1HG ARG 61 1HG ARG 61 -14.867 11.661 -4.964 450 2HG ARG 61 2HG ARG 61 -15.419 10.863 -6.438 451 1HD ARG 61 1HD ARG 61 -16.949 9.642 -5.345 452 2HD ARG 61 2HD ARG 61 -15.856 9.301 -4.004 453 HE ARG 61 HE ARG 61 -16.786 11.044 -2.853 454 1HH1 ARG 61 1HH1 ARG 61 -17.636 11.334 -6.220 455 2HH1 ARG 61 2HH1 ARG 61 -18.738 12.644 -5.961 456 1HH2 ARG 61 1HH2 ARG 61 -18.237 12.767 -2.504 457 2HH2 ARG 61 2HH2 ARG 61 -19.081 13.458 -3.849 458 H TRP 62 H TRP 62 -11.620 8.656 -8.268 459 HA TRP 62 HA TRP 62 -11.481 11.163 -9.651 460 1HB TRP 62 1HB TRP 62 -10.264 11.330 -7.297 461 2HB TRP 62 2HB TRP 62 -8.949 10.583 -8.200 462 HD1 TRP 62 HD1 TRP 62 -7.658 12.076 -9.940 463 HE1 TRP 62 HE1 TRP 62 -7.690 14.595 -10.471 464 HE3 TRP 62 HE3 TRP 62 -11.896 13.388 -7.399 465 HZ2 TRP 62 HZ2 TRP 62 -9.299 16.840 -9.891 466 HZ3 TRP 62 HZ3 TRP 62 -12.612 15.742 -7.437 467 HH2 TRP 62 HH2 TRP 62 -11.340 17.431 -8.657 468 H TRP 63 H TRP 63 -10.794 7.867 -9.461 469 HA TRP 63 HA TRP 63 -9.156 8.069 -11.890 470 1HB TRP 63 1HB TRP 63 -8.767 6.204 -9.545 471 2HB TRP 63 2HB TRP 63 -7.986 5.972 -11.106 472 HD1 TRP 63 HD1 TRP 63 -6.974 7.132 -7.927 473 HE1 TRP 63 HE1 TRP 63 -5.171 8.972 -8.057 474 HE3 TRP 63 HE3 TRP 63 -7.561 8.467 -12.794 475 HZ2 TRP 63 HZ2 TRP 63 -4.148 10.773 -10.001 476 HZ3 TRP 63 HZ3 TRP 63 -6.185 10.250 -13.727 477 HH2 TRP 63 HH2 TRP 63 -4.488 11.385 -12.363 478 H CYS 64 H CYS 64 -10.615 5.411 -10.057 479 HA CYS 64 HA CYS 64 -11.614 4.330 -12.577 480 1HB CYS 64 1HB CYS 64 -11.803 2.239 -11.515 481 2HB CYS 64 2HB CYS 64 -10.345 2.945 -10.830 482 H ASN 65 H ASN 65 -13.719 3.415 -12.759 483 HA ASN 65 HA ASN 65 -15.729 5.126 -11.476 484 1HB ASN 65 1HB ASN 65 -15.624 5.001 -13.976 485 2HB ASN 65 2HB ASN 65 -16.065 3.300 -13.864 486 2HD2 ASN 65 2HD2 ASN 65 -17.152 6.476 -12.723 487 1HD2 ASN 65 1HD2 ASN 65 -18.838 6.164 -12.932 488 H ASP 66 H ASP 66 -16.596 4.294 -9.696 489 HA ASP 66 HA ASP 66 -16.906 1.394 -9.458 490 1HB ASP 66 1HB ASP 66 -17.414 1.904 -7.062 491 2HB ASP 66 2HB ASP 66 -15.815 2.425 -7.580 492 H GLY 67 H GLY 67 -18.744 4.235 -10.037 493 1HA GLY 67 1HA GLY 67 -21.127 2.714 -10.448 494 2HA GLY 67 2HA GLY 67 -20.968 4.457 -10.591 495 H ARG 68 H ARG 68 -19.856 3.345 -7.603 496 HA ARG 68 HA ARG 68 -22.442 3.422 -6.291 497 1HB ARG 68 1HB ARG 68 -19.999 2.188 -5.739 498 2HB ARG 68 2HB ARG 68 -20.154 3.433 -4.508 499 1HG ARG 68 1HG ARG 68 -22.651 2.079 -4.780 500 2HG ARG 68 2HG ARG 68 -21.360 0.893 -4.577 501 1HD ARG 68 1HD ARG 68 -20.772 1.692 -2.495 502 2HD ARG 68 2HD ARG 68 -21.439 3.293 -2.807 503 HE ARG 68 HE ARG 68 -23.134 0.923 -2.356 504 1HH1 ARG 68 1HH1 ARG 68 -22.335 4.269 -1.803 505 2HH1 ARG 68 2HH1 ARG 68 -23.720 4.569 -0.807 506 1HH2 ARG 68 1HH2 ARG 68 -24.961 1.310 -1.047 507 2HH2 ARG 68 2HH2 ARG 68 -25.212 2.887 -0.377 508 H THR 69 H THR 69 -20.445 5.729 -7.430 509 HA THR 69 HA THR 69 -21.534 7.726 -5.625 510 HB THR 69 HB THR 69 -18.598 7.963 -6.106 511 HG1 THR 69 HG1 THR 69 -18.977 5.828 -5.210 512 1HG2 THR 69 1HG2 THR 69 -20.633 8.992 -4.192 513 2HG2 THR 69 2HG2 THR 69 -18.966 8.842 -3.636 514 3HG2 THR 69 3HG2 THR 69 -19.342 9.847 -5.036 515 HA PRO 70 HA PRO 70 -21.713 9.464 -9.781 516 1HB PRO 70 1HB PRO 70 -23.271 11.589 -9.120 517 2HB PRO 70 2HB PRO 70 -23.917 9.963 -9.369 518 1HG PRO 70 1HG PRO 70 -23.255 11.365 -6.808 519 2HG PRO 70 2HG PRO 70 -24.670 10.373 -7.207 520 1HD PRO 70 1HD PRO 70 -22.585 9.415 -5.777 521 2HD PRO 70 2HD PRO 70 -23.532 8.393 -6.877 522 H GLY 71 H GLY 71 -19.967 10.499 -10.512 523 1HA GLY 71 1HA GLY 71 -18.900 12.747 -8.930 524 2HA GLY 71 2HA GLY 71 -19.186 12.925 -10.654 525 H SER 72 H SER 72 -18.291 9.856 -10.507 526 HA SER 72 HA SER 72 -15.521 9.941 -9.954 527 1HB SER 72 1HB SER 72 -17.293 8.020 -11.445 528 2HB SER 72 2HB SER 72 -15.544 7.797 -11.415 529 HG SER 72 HG SER 72 -17.299 7.106 -9.567 530 H ARG 73 H ARG 73 -13.889 10.702 -11.110 531 HA ARG 73 HA ARG 73 -14.280 12.063 -13.559 532 1HB ARG 73 1HB ARG 73 -11.826 11.247 -12.020 533 2HB ARG 73 2HB ARG 73 -11.704 12.055 -13.576 534 1HG ARG 73 1HG ARG 73 -13.366 13.249 -11.401 535 2HG ARG 73 2HG ARG 73 -11.612 13.444 -11.394 536 1HD ARG 73 1HD ARG 73 -13.496 14.244 -13.609 537 2HD ARG 73 2HD ARG 73 -12.675 15.333 -12.491 538 HE ARG 73 HE ARG 73 -11.461 13.868 -14.710 539 1HH1 ARG 73 1HH1 ARG 73 -11.118 16.065 -12.027 540 2HH1 ARG 73 2HH1 ARG 73 -9.574 16.656 -12.541 541 1HH2 ARG 73 1HH2 ARG 73 -9.427 14.640 -15.395 542 2HH2 ARG 73 2HH2 ARG 73 -8.613 15.846 -14.455 543 H ASN 74 H ASN 74 -12.985 8.893 -12.751 544 HA ASN 74 HA ASN 74 -12.573 7.021 -13.991 545 1HB ASN 74 1HB ASN 74 -14.912 7.782 -14.917 546 2HB ASN 74 2HB ASN 74 -13.994 8.233 -16.350 547 2HD2 ASN 74 2HD2 ASN 74 -14.694 6.722 -17.744 548 1HD2 ASN 74 1HD2 ASN 74 -14.473 5.022 -17.534 549 H LEU 75 H LEU 75 -10.858 9.373 -14.033 550 HA LEU 75 HA LEU 75 -9.702 10.028 -16.450 551 1HB LEU 75 1HB LEU 75 -8.933 9.838 -13.611 552 2HB LEU 75 2HB LEU 75 -7.608 9.927 -14.748 553 HG LEU 75 HG LEU 75 -9.886 11.913 -14.475 554 1HD1 LEU 75 1HD1 LEU 75 -8.095 11.768 -12.631 555 2HD1 LEU 75 2HD1 LEU 75 -7.014 12.478 -13.831 556 3HD1 LEU 75 3HD1 LEU 75 -8.464 13.346 -13.326 557 1HD2 LEU 75 1HD2 LEU 75 -7.924 11.494 -16.561 558 2HD2 LEU 75 2HD2 LEU 75 -9.324 12.567 -16.528 559 3HD2 LEU 75 3HD2 LEU 75 -7.785 13.105 -15.857 560 H CYS 76 H CYS 76 -8.948 7.561 -14.183 561 HA CYS 76 HA CYS 76 -6.898 6.285 -15.678 562 1HB CYS 76 1HB CYS 76 -7.726 6.412 -13.103 563 2HB CYS 76 2HB CYS 76 -8.314 4.823 -13.572 564 H ASN 77 H ASN 77 -10.333 5.989 -15.330 565 HA ASN 77 HA ASN 77 -11.911 4.591 -16.223 566 1HB ASN 77 1HB ASN 77 -10.854 5.757 -18.260 567 2HB ASN 77 2HB ASN 77 -10.009 4.238 -18.537 568 2HD2 ASN 77 2HD2 ASN 77 -11.421 4.831 -20.561 569 1HD2 ASN 77 1HD2 ASN 77 -12.938 4.005 -20.628 570 H ILE 78 H ILE 78 -10.709 3.259 -14.377 571 HA ILE 78 HA ILE 78 -10.015 0.674 -15.571 572 HB ILE 78 HB ILE 78 -8.273 0.348 -14.197 573 1HG1 ILE 78 1HG1 ILE 78 -10.105 1.446 -12.163 574 2HG1 ILE 78 2HG1 ILE 78 -8.994 0.087 -12.060 575 1HG2 ILE 78 1HG2 ILE 78 -7.917 2.528 -15.289 576 2HG2 ILE 78 2HG2 ILE 78 -8.530 3.324 -13.839 577 3HG2 ILE 78 3HG2 ILE 78 -7.047 2.373 -13.762 578 1HD1 ILE 78 1HD1 ILE 78 -7.140 1.760 -11.811 579 2HD1 ILE 78 2HD1 ILE 78 -8.387 3.000 -11.660 580 3HD1 ILE 78 3HD1 ILE 78 -8.294 1.694 -10.477 581 HA PRO 79 HA PRO 79 -13.304 -1.065 -13.158 582 1HB PRO 79 1HB PRO 79 -12.494 -3.617 -12.876 583 2HB PRO 79 2HB PRO 79 -12.987 -2.970 -14.445 584 1HG PRO 79 1HG PRO 79 -10.236 -3.409 -13.355 585 2HG PRO 79 2HG PRO 79 -10.858 -3.718 -14.987 586 1HD PRO 79 1HD PRO 79 -9.397 -1.500 -14.298 587 2HD PRO 79 2HD PRO 79 -10.553 -1.547 -15.643 588 H CYS 80 H CYS 80 -13.540 -0.441 -11.083 589 HA CYS 80 HA CYS 80 -11.463 -0.341 -9.210 590 1HB CYS 80 1HB CYS 80 -14.402 -0.416 -8.544 591 2HB CYS 80 2HB CYS 80 -13.107 0.356 -7.633 592 H SER 81 H SER 81 -14.329 -2.479 -9.091 593 HA SER 81 HA SER 81 -13.381 -4.082 -7.003 594 1HB SER 81 1HB SER 81 -15.160 -5.596 -7.534 595 2HB SER 81 2HB SER 81 -15.751 -3.968 -7.864 596 HG SER 81 HG SER 81 -16.272 -5.341 -9.576 597 H ALA 82 H ALA 82 -12.561 -4.112 -10.373 598 HA ALA 82 HA ALA 82 -11.463 -6.800 -10.259 599 1HB ALA 82 1HB ALA 82 -12.461 -5.263 -12.309 600 2HB ALA 82 2HB ALA 82 -11.549 -6.762 -12.489 601 3HB ALA 82 3HB ALA 82 -10.720 -5.208 -12.579 602 H LEU 83 H LEU 83 -10.464 -3.630 -9.611 603 HA LEU 83 HA LEU 83 -7.633 -4.187 -10.024 604 1HB LEU 83 1HB LEU 83 -7.285 -1.953 -9.972 605 2HB LEU 83 2HB LEU 83 -8.997 -1.905 -10.340 606 HG LEU 83 HG LEU 83 -9.142 -1.864 -7.659 607 1HD1 LEU 83 1HD1 LEU 83 -6.556 -1.880 -7.689 608 2HD1 LEU 83 2HD1 LEU 83 -6.716 -0.183 -8.137 609 3HD1 LEU 83 3HD1 LEU 83 -7.394 -0.759 -6.615 610 1HD2 LEU 83 1HD2 LEU 83 -9.719 -0.159 -9.677 611 2HD2 LEU 83 2HD2 LEU 83 -9.952 0.211 -7.969 612 3HD2 LEU 83 3HD2 LEU 83 -8.501 0.768 -8.801 613 H LEU 84 H LEU 84 -9.892 -4.791 -7.720 614 HA LEU 84 HA LEU 84 -8.042 -4.514 -5.467 615 1HB LEU 84 1HB LEU 84 -10.958 -5.274 -5.413 616 2HB LEU 84 2HB LEU 84 -9.963 -4.808 -4.047 617 HG LEU 84 HG LEU 84 -10.994 -3.068 -6.266 618 1HD1 LEU 84 1HD1 LEU 84 -11.566 -3.470 -3.421 619 2HD1 LEU 84 2HD1 LEU 84 -11.419 -1.783 -3.917 620 3HD1 LEU 84 3HD1 LEU 84 -12.589 -2.837 -4.711 621 1HD2 LEU 84 1HD2 LEU 84 -8.835 -2.431 -4.261 622 2HD2 LEU 84 2HD2 LEU 84 -8.683 -2.459 -6.017 623 3HD2 LEU 84 3HD2 LEU 84 -9.679 -1.230 -5.238 624 H SER 85 H SER 85 -8.679 -6.699 -7.757 625 HA SER 85 HA SER 85 -9.026 -9.125 -6.330 626 1HB SER 85 1HB SER 85 -7.654 -8.815 -9.002 627 2HB SER 85 2HB SER 85 -8.520 -10.224 -8.389 628 HG SER 85 HG SER 85 -9.782 -7.723 -8.776 629 H SER 86 H SER 86 -7.134 -10.836 -7.041 630 HA SER 86 HA SER 86 -4.951 -10.138 -5.281 631 1HB SER 86 1HB SER 86 -4.196 -12.539 -6.056 632 2HB SER 86 2HB SER 86 -5.562 -12.354 -4.954 633 HG SER 86 HG SER 86 -6.936 -12.854 -6.540 634 H ASP 87 H ASP 87 -5.243 -8.711 -7.806 635 HA ASP 87 HA ASP 87 -2.593 -9.277 -8.938 636 1HB ASP 87 1HB ASP 87 -4.265 -10.147 -10.479 637 2HB ASP 87 2HB ASP 87 -5.111 -8.605 -10.464 638 H ILE 88 H ILE 88 -1.295 -7.566 -8.764 639 HA ILE 88 HA ILE 88 -2.366 -4.993 -8.032 640 HB ILE 88 HB ILE 88 0.220 -4.426 -8.363 641 1HG1 ILE 88 1HG1 ILE 88 0.528 -7.235 -7.431 642 2HG1 ILE 88 2HG1 ILE 88 0.353 -6.972 -9.163 643 1HG2 ILE 88 1HG2 ILE 88 -1.471 -4.938 -6.241 644 2HG2 ILE 88 2HG2 ILE 88 -0.069 -5.960 -5.927 645 3HG2 ILE 88 3HG2 ILE 88 0.139 -4.224 -6.155 646 1HD1 ILE 88 1HD1 ILE 88 2.303 -5.248 -7.792 647 2HD1 ILE 88 2HD1 ILE 88 2.703 -6.963 -7.883 648 3HD1 ILE 88 3HD1 ILE 88 2.393 -6.050 -9.360 649 H THR 89 H THR 89 -1.906 -6.495 -10.969 650 HA THR 89 HA THR 89 -0.686 -4.651 -12.604 651 HB THR 89 HB THR 89 -3.114 -6.326 -13.277 652 HG1 THR 89 HG1 THR 89 -1.591 -7.836 -13.956 653 1HG2 THR 89 1HG2 THR 89 -1.338 -4.584 -14.896 654 2HG2 THR 89 2HG2 THR 89 -1.811 -6.131 -15.596 655 3HG2 THR 89 3HG2 THR 89 -3.046 -4.969 -15.110 656 H ALA 90 H ALA 90 -4.150 -4.744 -11.731 657 HA ALA 90 HA ALA 90 -4.823 -2.465 -13.176 658 1HB ALA 90 1HB ALA 90 -6.499 -4.066 -12.624 659 2HB ALA 90 2HB ALA 90 -6.925 -2.528 -11.871 660 3HB ALA 90 3HB ALA 90 -6.224 -3.822 -10.900 661 H SER 91 H SER 91 -4.269 -2.882 -9.667 662 HA SER 91 HA SER 91 -4.696 -0.187 -8.976 663 1HB SER 91 1HB SER 91 -2.712 -1.705 -7.385 664 2HB SER 91 2HB SER 91 -4.140 -0.816 -6.855 665 HG SER 91 HG SER 91 -3.858 -3.454 -7.347 666 H VAL 92 H VAL 92 -1.894 -1.867 -10.157 667 HA VAL 92 HA VAL 92 -0.143 0.348 -9.609 668 HB VAL 92 HB VAL 92 0.323 -2.165 -11.213 669 1HG1 VAL 92 1HG1 VAL 92 2.173 0.181 -10.750 670 2HG1 VAL 92 2HG1 VAL 92 2.716 -1.402 -11.308 671 3HG1 VAL 92 3HG1 VAL 92 1.609 -0.450 -12.297 672 1HG2 VAL 92 1HG2 VAL 92 0.310 -1.840 -8.533 673 2HG2 VAL 92 2HG2 VAL 92 1.323 -3.013 -9.372 674 3HG2 VAL 92 3HG2 VAL 92 1.994 -1.455 -8.888 675 H ASN 93 H ASN 93 -1.692 -0.980 -12.522 676 HA ASN 93 HA ASN 93 -0.571 0.637 -14.368 677 1HB ASN 93 1HB ASN 93 -1.936 -0.559 -15.628 678 2HB ASN 93 2HB ASN 93 -2.806 -1.053 -14.199 679 2HD2 ASN 93 2HD2 ASN 93 -4.779 -0.204 -13.771 680 1HD2 ASN 93 1HD2 ASN 93 -5.583 0.931 -14.797 681 H CYS 94 H CYS 94 -3.221 1.291 -12.192 682 HA CYS 94 HA CYS 94 -3.884 3.832 -13.229 683 1HB CYS 94 1HB CYS 94 -5.131 2.249 -11.503 684 2HB CYS 94 2HB CYS 94 -4.280 3.252 -10.332 685 H ALA 95 H ALA 95 -1.843 2.830 -10.469 686 HA ALA 95 HA ALA 95 -1.067 5.497 -9.839 687 1HB ALA 95 1HB ALA 95 0.032 4.623 -8.133 688 2HB ALA 95 2HB ALA 95 0.895 3.468 -9.150 689 3HB ALA 95 3HB ALA 95 -0.741 3.107 -8.596 690 H LYS 96 H LYS 96 0.093 3.091 -12.061 691 HA LYS 96 HA LYS 96 2.618 4.028 -12.671 692 1HB LYS 96 1HB LYS 96 0.493 2.595 -14.214 693 2HB LYS 96 2HB LYS 96 1.861 3.251 -15.103 694 1HG LYS 96 1HG LYS 96 3.400 1.912 -13.880 695 2HG LYS 96 2HG LYS 96 2.147 1.409 -12.743 696 1HD LYS 96 1HD LYS 96 2.057 -0.415 -14.073 697 2HD LYS 96 2HD LYS 96 1.028 0.620 -15.065 698 1HE LYS 96 1HE LYS 96 3.331 1.353 -16.102 699 2HE LYS 96 2HE LYS 96 3.860 -0.208 -15.479 700 1HZ LYS 96 1HZ LYS 96 2.084 -1.267 -16.735 701 2HZ LYS 96 2HZ LYS 96 1.585 0.233 -17.336 702 3HZ LYS 96 3HZ LYS 96 3.100 -0.385 -17.760 703 H LYS 97 H LYS 97 -0.559 4.966 -13.640 704 HA LYS 97 HA LYS 97 0.249 7.124 -15.388 705 1HB LYS 97 1HB LYS 97 -1.931 5.726 -15.517 706 2HB LYS 97 2HB LYS 97 -2.512 6.785 -14.240 707 1HG LYS 97 1HG LYS 97 -3.212 8.119 -15.873 708 2HG LYS 97 2HG LYS 97 -1.516 8.552 -16.092 709 1HD LYS 97 1HD LYS 97 -2.428 6.081 -17.435 710 2HD LYS 97 2HD LYS 97 -3.065 7.600 -18.069 711 1HE LYS 97 1HE LYS 97 -0.250 7.846 -17.567 712 2HE LYS 97 2HE LYS 97 -0.560 6.435 -18.579 713 1HZ LYS 97 1HZ LYS 97 -1.905 8.949 -19.252 714 2HZ LYS 97 2HZ LYS 97 -0.258 8.805 -19.615 715 3HZ LYS 97 3HZ LYS 97 -1.368 7.708 -20.269 716 H ILE 98 H ILE 98 -0.655 6.667 -12.054 717 HA ILE 98 HA ILE 98 -1.188 9.323 -11.354 718 HB ILE 98 HB ILE 98 -0.190 7.018 -9.718 719 1HG1 ILE 98 1HG1 ILE 98 -2.850 8.471 -9.773 720 2HG1 ILE 98 2HG1 ILE 98 -2.523 6.951 -10.598 721 1HG2 ILE 98 1HG2 ILE 98 -0.870 9.808 -8.805 722 2HG2 ILE 98 2HG2 ILE 98 -0.729 8.420 -7.727 723 3HG2 ILE 98 3HG2 ILE 98 0.675 8.974 -8.639 724 1HD1 ILE 98 1HD1 ILE 98 -1.779 6.630 -7.888 725 2HD1 ILE 98 2HD1 ILE 98 -3.375 7.379 -7.930 726 3HD1 ILE 98 3HD1 ILE 98 -3.095 5.854 -8.771 727 H VAL 99 H VAL 99 1.760 7.429 -11.142 728 HA VAL 99 HA VAL 99 3.406 9.606 -10.306 729 HB VAL 99 HB VAL 99 3.857 7.186 -9.800 730 1HG1 VAL 99 1HG1 VAL 99 3.696 6.923 -12.571 731 2HG1 VAL 99 2HG1 VAL 99 5.401 6.690 -12.183 732 3HG1 VAL 99 3HG1 VAL 99 4.175 5.686 -11.410 733 1HG2 VAL 99 1HG2 VAL 99 5.525 9.048 -9.581 734 2HG2 VAL 99 2HG2 VAL 99 6.222 7.444 -9.801 735 3HG2 VAL 99 3HG2 VAL 99 6.161 8.572 -11.156 736 H SER 100 H SER 100 2.317 8.429 -13.369 737 HA SER 100 HA SER 100 4.486 9.674 -14.847 738 1HB SER 100 1HB SER 100 3.462 7.563 -15.652 739 2HB SER 100 2HB SER 100 1.930 8.409 -15.867 740 HG SER 100 HG SER 100 2.653 8.989 -17.739 741 H ASP 101 H ASP 101 1.604 10.632 -13.437 742 HA ASP 101 HA ASP 101 1.734 13.214 -14.751 743 1HB ASP 101 1HB ASP 101 -0.068 11.332 -15.730 744 2HB ASP 101 2HB ASP 101 -1.044 12.353 -14.678 745 H GLY 102 H GLY 102 2.403 13.760 -12.576 746 1HA GLY 102 1HA GLY 102 0.361 13.557 -10.499 747 2HA GLY 102 2HA GLY 102 0.803 15.175 -11.028 748 H ASN 103 H ASN 103 1.464 12.740 -8.851 749 HA ASN 103 HA ASN 103 4.175 13.762 -8.326 750 1HB ASN 103 1HB ASN 103 1.920 13.325 -6.367 751 2HB ASN 103 2HB ASN 103 3.602 13.446 -5.860 752 2HD2 ASN 103 2HD2 ASN 103 4.621 15.408 -5.887 753 1HD2 ASN 103 1HD2 ASN 103 3.794 16.899 -6.170 754 H GLY 104 H GLY 104 5.662 12.269 -7.459 755 1HA GLY 104 1HA GLY 104 6.633 10.188 -7.450 756 2HA GLY 104 2HA GLY 104 5.191 9.562 -8.230 757 H MET 105 H MET 105 7.034 9.118 -5.642 758 HA MET 105 HA MET 105 5.016 7.699 -4.194 759 1HB MET 105 1HB MET 105 7.678 8.258 -2.974 760 2HB MET 105 2HB MET 105 6.742 6.772 -2.983 761 1HG MET 105 1HG MET 105 8.367 7.901 -5.245 762 2HG MET 105 2HG MET 105 8.730 6.471 -4.281 763 1HE MET 105 1HE MET 105 5.505 5.653 -4.081 764 2HE MET 105 2HE MET 105 5.412 4.387 -5.305 765 3HE MET 105 3HE MET 105 6.759 4.416 -4.167 766 H ASN 106 H ASN 106 6.054 10.856 -4.321 767 HA ASN 106 HA ASN 106 5.758 11.598 -1.591 768 1HB ASN 106 1HB ASN 106 6.210 12.940 -4.197 769 2HB ASN 106 2HB ASN 106 5.511 13.912 -2.920 770 2HD2 ASN 106 2HD2 ASN 106 8.240 11.901 -3.791 771 1HD2 ASN 106 1HD2 ASN 106 9.361 12.610 -2.683 772 H ALA 107 H ALA 107 3.636 11.287 -4.350 773 HA ALA 107 HA ALA 107 1.520 12.919 -3.610 774 1HB ALA 107 1HB ALA 107 1.972 10.779 -5.464 775 2HB ALA 107 2HB ALA 107 0.383 10.603 -4.719 776 3HB ALA 107 3HB ALA 107 0.806 12.100 -5.549 777 H TRP 108 H TRP 108 2.153 9.546 -2.736 778 HA TRP 108 HA TRP 108 -0.146 9.413 -1.020 779 1HB TRP 108 1HB TRP 108 2.146 7.472 -1.382 780 2HB TRP 108 2HB TRP 108 0.645 7.139 -0.520 781 HD1 TRP 108 HD1 TRP 108 -1.629 7.037 -2.043 782 HE1 TRP 108 HE1 TRP 108 -1.956 6.395 -4.514 783 HE3 TRP 108 HE3 TRP 108 3.197 7.512 -3.654 784 HZ2 TRP 108 HZ2 TRP 108 -0.376 6.118 -6.853 785 HZ3 TRP 108 HZ3 TRP 108 3.706 7.047 -6.012 786 HH2 TRP 108 HH2 TRP 108 1.960 6.362 -7.575 787 H VAL 109 H VAL 109 -0.233 9.577 1.130 788 HA VAL 109 HA VAL 109 1.831 11.027 2.459 789 HB VAL 109 HB VAL 109 -0.358 9.906 3.995 790 1HG1 VAL 109 1HG1 VAL 109 1.363 12.247 4.011 791 2HG1 VAL 109 2HG1 VAL 109 -0.324 12.614 4.371 792 3HG1 VAL 109 3HG1 VAL 109 0.551 11.435 5.348 793 1HG2 VAL 109 1HG2 VAL 109 -0.764 11.836 1.741 794 2HG2 VAL 109 2HG2 VAL 109 -1.631 10.335 2.062 795 3HG2 VAL 109 3HG2 VAL 109 -1.878 11.737 3.104 796 H ALA 110 H ALA 110 1.100 7.669 2.295 797 HA ALA 110 HA ALA 110 2.172 6.995 4.860 798 1HB ALA 110 1HB ALA 110 1.874 5.194 2.461 799 2HB ALA 110 2HB ALA 110 2.023 4.708 4.149 800 3HB ALA 110 3HB ALA 110 0.577 5.553 3.600 801 H TRP 111 H TRP 111 3.462 7.456 1.667 802 HA TRP 111 HA TRP 111 6.030 6.321 2.347 803 1HB TRP 111 1HB TRP 111 5.248 6.204 0.027 804 2HB TRP 111 2HB TRP 111 5.188 7.957 -0.059 805 HD1 TRP 111 HD1 TRP 111 7.587 5.033 -0.270 806 HE1 TRP 111 HE1 TRP 111 9.902 5.887 -1.001 807 HE3 TRP 111 HE3 TRP 111 6.754 10.065 0.102 808 HZ2 TRP 111 HZ2 TRP 111 11.203 8.364 -1.371 809 HZ3 TRP 111 HZ3 TRP 111 8.587 11.607 -0.459 810 HH2 TRP 111 HH2 TRP 111 10.765 10.773 -1.180 811 H ARG 112 H ARG 112 4.487 9.485 2.221 812 HA ARG 112 HA ARG 112 6.982 10.820 2.924 813 1HB ARG 112 1HB ARG 112 4.315 11.632 1.953 814 2HB ARG 112 2HB ARG 112 5.119 12.753 3.041 815 1HG ARG 112 1HG ARG 112 7.139 12.249 1.352 816 2HG ARG 112 2HG ARG 112 5.770 12.010 0.263 817 1HD ARG 112 1HD ARG 112 6.040 14.248 -0.014 818 2HD ARG 112 2HD ARG 112 4.979 14.281 1.393 819 HE ARG 112 HE ARG 112 7.797 14.233 2.009 820 1HH1 ARG 112 1HH1 ARG 112 5.006 16.218 1.369 821 2HH1 ARG 112 2HH1 ARG 112 5.650 17.608 2.178 822 1HH2 ARG 112 1HH2 ARG 112 8.652 16.058 3.076 823 2HH2 ARG 112 2HH2 ARG 112 7.722 17.517 3.147 824 H ASN 113 H ASN 113 6.310 9.056 4.845 825 HA ASN 113 HA ASN 113 5.866 10.781 7.110 826 1HB ASN 113 1HB ASN 113 3.556 10.125 6.450 827 2HB ASN 113 2HB ASN 113 4.001 8.437 6.683 828 2HD2 ASN 113 2HD2 ASN 113 4.228 11.516 8.438 829 1HD2 ASN 113 1HD2 ASN 113 3.727 10.877 9.963 830 H ARG 114 H ARG 114 5.873 7.334 6.233 831 HA ARG 114 HA ARG 114 7.833 6.886 8.385 832 1HB ARG 114 1HB ARG 114 5.517 5.320 7.396 833 2HB ARG 114 2HB ARG 114 6.929 4.416 7.917 834 1HG ARG 114 1HG ARG 114 5.900 6.545 9.709 835 2HG ARG 114 2HG ARG 114 4.982 5.043 9.580 836 1HD ARG 114 1HD ARG 114 7.016 3.778 10.144 837 2HD ARG 114 2HD ARG 114 7.894 5.296 10.324 838 HE ARG 114 HE ARG 114 6.243 5.793 12.148 839 1HH1 ARG 114 1HH1 ARG 114 7.036 2.521 11.248 840 2HH1 ARG 114 2HH1 ARG 114 6.660 1.866 12.807 841 1HH2 ARG 114 1HH2 ARG 114 5.747 4.938 14.203 842 2HH2 ARG 114 2HH2 ARG 114 5.927 3.239 14.485 843 H CYS 115 H CYS 115 7.786 7.280 5.167 844 HA CYS 115 HA CYS 115 9.797 5.180 4.698 845 1HB CYS 115 1HB CYS 115 7.881 6.536 2.814 846 2HB CYS 115 2HB CYS 115 9.274 5.626 2.238 847 H LYS 116 H LYS 116 9.010 8.553 3.850 848 HA LYS 116 HA LYS 116 11.456 9.169 2.645 849 1HB LYS 116 1HB LYS 116 9.247 10.507 2.694 850 2HB LYS 116 2HB LYS 116 9.852 11.180 4.201 851 1HG LYS 116 1HG LYS 116 11.993 11.602 2.663 852 2HG LYS 116 2HG LYS 116 10.739 11.641 1.423 853 1HD LYS 116 1HD LYS 116 9.905 13.598 2.156 854 2HD LYS 116 2HD LYS 116 10.104 13.157 3.853 855 1HE LYS 116 1HE LYS 116 12.205 14.029 3.976 856 2HE LYS 116 2HE LYS 116 12.561 13.692 2.283 857 1HZ LYS 116 1HZ LYS 116 10.661 15.800 3.134 858 2HZ LYS 116 2HZ LYS 116 12.309 16.096 2.887 859 3HZ LYS 116 3HZ LYS 116 11.341 15.574 1.602 860 H GLY 117 H GLY 117 13.193 8.393 3.832 861 1HA GLY 117 1HA GLY 117 13.605 9.649 6.469 862 2HA GLY 117 2HA GLY 117 14.866 9.666 5.248 863 H THR 118 H THR 118 13.519 6.775 4.724 864 HA THR 118 HA THR 118 15.169 5.439 6.765 865 HB THR 118 HB THR 118 13.700 3.478 6.519 866 HG1 THR 118 HG1 THR 118 12.104 3.443 5.080 867 1HG2 THR 118 1HG2 THR 118 13.207 5.123 8.266 868 2HG2 THR 118 2HG2 THR 118 12.191 6.021 7.138 869 3HG2 THR 118 3HG2 THR 118 11.727 4.396 7.641 870 H ASP 119 H ASP 119 14.741 2.861 5.347 871 HA ASP 119 HA ASP 119 16.412 3.304 2.983 872 1HB ASP 119 1HB ASP 119 17.531 2.431 5.160 873 2HB ASP 119 2HB ASP 119 16.865 0.915 4.600 874 H VAL 120 H VAL 120 14.865 2.929 1.477 875 HA VAL 120 HA VAL 120 13.006 0.786 1.610 876 HB VAL 120 HB VAL 120 12.534 1.353 -0.771 877 1HG1 VAL 120 1HG1 VAL 120 11.507 2.517 1.230 878 2HG1 VAL 120 2HG1 VAL 120 12.634 3.838 0.919 879 3HG1 VAL 120 3HG1 VAL 120 11.440 3.391 -0.300 880 1HG2 VAL 120 1HG2 VAL 120 15.076 2.278 -0.868 881 2HG2 VAL 120 2HG2 VAL 120 13.816 2.722 -2.020 882 3HG2 VAL 120 3HG2 VAL 120 14.185 3.786 -0.662 883 H GLN 121 H GLN 121 16.157 1.260 0.129 884 HA GLN 121 HA GLN 121 16.197 -0.992 -1.540 885 1HB GLN 121 1HB GLN 121 18.022 1.008 -0.739 886 2HB GLN 121 2HB GLN 121 18.788 -0.528 -0.359 887 1HG GLN 121 1HG GLN 121 19.501 -0.339 -2.486 888 2HG GLN 121 2HG GLN 121 17.942 -1.090 -2.822 889 2HE2 GLN 121 2HE2 GLN 121 19.878 1.090 -4.021 890 1HE2 GLN 121 1HE2 GLN 121 18.763 2.275 -4.601 891 H ALA 122 H ALA 122 16.351 -0.630 1.857 892 HA ALA 122 HA ALA 122 17.422 -3.295 2.319 893 1HB ALA 122 1HB ALA 122 17.064 -0.871 3.903 894 2HB ALA 122 2HB ALA 122 16.616 -2.342 4.766 895 3HB ALA 122 3HB ALA 122 18.233 -2.179 4.081 896 H TRP 123 H TRP 123 14.387 -1.658 2.063 897 HA TRP 123 HA TRP 123 12.776 -3.332 3.644 898 1HB TRP 123 1HB TRP 123 12.304 -1.466 1.379 899 2HB TRP 123 2HB TRP 123 11.029 -2.624 1.744 900 HD1 TRP 123 HD1 TRP 123 11.648 0.772 2.417 901 HE1 TRP 123 HE1 TRP 123 10.701 1.550 4.681 902 HE3 TRP 123 HE3 TRP 123 10.941 -3.759 4.643 903 HZ2 TRP 123 HZ2 TRP 123 9.788 0.361 7.064 904 HZ3 TRP 123 HZ3 TRP 123 10.031 -3.861 6.906 905 HH2 TRP 123 HH2 TRP 123 9.460 -1.818 8.105 906 H ILE 124 H ILE 124 14.400 -3.960 0.715 907 HA ILE 124 HA ILE 124 12.882 -6.466 0.391 908 HB ILE 124 HB ILE 124 13.678 -6.342 -2.044 909 1HG1 ILE 124 1HG1 ILE 124 13.547 -3.386 -1.782 910 2HG1 ILE 124 2HG1 ILE 124 15.042 -4.160 -1.265 911 1HG2 ILE 124 1HG2 ILE 124 11.521 -4.549 -0.955 912 2HG2 ILE 124 2HG2 ILE 124 11.709 -4.929 -2.667 913 3HG2 ILE 124 3HG2 ILE 124 11.362 -6.215 -1.511 914 1HD1 ILE 124 1HD1 ILE 124 14.913 -5.340 -3.573 915 2HD1 ILE 124 2HD1 ILE 124 13.827 -4.012 -3.981 916 3HD1 ILE 124 3HD1 ILE 124 15.479 -3.672 -3.465 917 H ARG 125 H ARG 125 15.528 -5.423 1.661 918 HA ARG 125 HA ARG 125 17.650 -6.763 0.353 919 1HB ARG 125 1HB ARG 125 17.573 -4.953 2.321 920 2HB ARG 125 2HB ARG 125 17.759 -6.401 3.301 921 1HG ARG 125 1HG ARG 125 19.946 -6.050 2.993 922 2HG ARG 125 2HG ARG 125 19.668 -6.807 1.423 923 1HD ARG 125 1HD ARG 125 19.052 -4.348 0.719 924 2HD ARG 125 2HD ARG 125 20.051 -3.933 2.111 925 HE ARG 125 HE ARG 125 21.291 -5.795 0.303 926 1HH1 ARG 125 1HH1 ARG 125 20.735 -2.430 1.018 927 2HH1 ARG 125 2HH1 ARG 125 22.136 -1.883 0.158 928 1HH2 ARG 125 1HH2 ARG 125 23.137 -5.084 -0.829 929 2HH2 ARG 125 2HH2 ARG 125 23.500 -3.392 -0.893 930 H GLY 126 H GLY 126 16.980 -8.865 -0.137 931 1HA GLY 126 1HA GLY 126 16.530 -10.639 2.177 932 2HA GLY 126 2HA GLY 126 17.731 -11.042 0.960 933 H CYS 127 H CYS 127 15.142 -9.497 -0.482 934 HA CYS 127 HA CYS 127 13.332 -11.659 -0.710 935 1HB CYS 127 1HB CYS 127 13.596 -8.997 -1.852 936 2HB CYS 127 2HB CYS 127 12.633 -10.130 -2.777 937 H ARG 128 H ARG 128 12.642 -12.081 -3.212 938 HA ARG 128 HA ARG 128 15.067 -12.860 -4.674 939 1HB ARG 128 1HB ARG 128 13.676 -14.979 -5.298 940 2HB ARG 128 2HB ARG 128 14.553 -14.928 -3.775 941 1HG ARG 128 1HG ARG 128 12.113 -13.880 -3.094 942 2HG ARG 128 2HG ARG 128 11.693 -15.113 -4.284 943 1HD ARG 128 1HD ARG 128 12.158 -16.770 -2.864 944 2HD ARG 128 2HD ARG 128 13.700 -16.044 -2.410 945 HE ARG 128 HE ARG 128 12.001 -14.521 -1.043 946 1HH1 ARG 128 1HH1 ARG 128 12.138 -17.983 -1.417 947 2HH1 ARG 128 2HH1 ARG 128 11.454 -18.307 0.141 948 1HH2 ARG 128 1HH2 ARG 128 11.100 -14.938 1.009 949 2HH2 ARG 128 2HH2 ARG 128 10.862 -16.577 1.519 950 H LEU 129 H LEU 129 14.737 -11.189 -6.145 951 HA LEU 129 HA LEU 129 12.613 -11.710 -8.087 952 1HB LEU 129 1HB LEU 129 12.223 -9.234 -8.277 953 2HB LEU 129 2HB LEU 129 11.617 -9.983 -6.813 954 HG LEU 129 HG LEU 129 14.286 -9.021 -6.363 955 1HD1 LEU 129 1HD1 LEU 129 13.737 -7.471 -8.208 956 2HD1 LEU 129 2HD1 LEU 129 12.328 -6.929 -7.296 957 3HD1 LEU 129 3HD1 LEU 129 13.950 -6.656 -6.659 958 1HD2 LEU 129 1HD2 LEU 129 11.603 -8.877 -5.182 959 2HD2 LEU 129 2HD2 LEU 129 13.172 -9.118 -4.415 960 3HD2 LEU 129 3HD2 LEU 129 12.640 -7.492 -4.842 No H/Q in entry = 960 Start of MODEL 41 1 H1 LYS 1 H1 LYS 1 -6.081 -10.538 3.073 2 H2 LYS 1 H2 LYS 1 -7.181 -10.001 1.904 3 H3 LYS 1 H3 LYS 1 -7.321 -11.560 2.546 4 HA LYS 1 HA LYS 1 -5.223 -12.201 1.562 5 1HB LYS 1 1HB LYS 1 -7.653 -11.494 0.189 6 2HB LYS 1 2HB LYS 1 -6.284 -11.298 -0.897 7 1HG LYS 1 1HG LYS 1 -5.799 -13.525 -0.917 8 2HG LYS 1 2HG LYS 1 -6.454 -13.795 0.699 9 1HD LYS 1 1HD LYS 1 -8.070 -14.807 -0.576 10 2HD LYS 1 2HD LYS 1 -8.725 -13.171 -0.476 11 1HE LYS 1 1HE LYS 1 -8.905 -13.699 -2.737 12 2HE LYS 1 2HE LYS 1 -7.430 -12.739 -2.650 13 1HZ LYS 1 1HZ LYS 1 -7.481 -15.706 -2.640 14 2HZ LYS 1 2HZ LYS 1 -7.231 -14.768 -4.025 15 3HZ LYS 1 3HZ LYS 1 -6.118 -14.712 -2.754 16 H VAL 2 H VAL 2 -3.664 -10.588 2.367 17 HA VAL 2 HA VAL 2 -3.156 -8.302 0.638 18 HB VAL 2 HB VAL 2 -1.841 -9.255 3.182 19 1HG1 VAL 2 1HG1 VAL 2 -0.436 -7.957 1.296 20 2HG1 VAL 2 2HG1 VAL 2 -1.177 -6.583 2.113 21 3HG1 VAL 2 3HG1 VAL 2 -0.182 -7.717 3.024 22 1HG2 VAL 2 1HG2 VAL 2 -4.152 -7.847 2.819 23 2HG2 VAL 2 2HG2 VAL 2 -3.151 -7.802 4.271 24 3HG2 VAL 2 3HG2 VAL 2 -2.964 -6.560 3.031 25 H PHE 3 H PHE 3 -1.207 -7.980 -0.513 26 HA PHE 3 HA PHE 3 -0.120 -10.252 -1.787 27 1HB PHE 3 1HB PHE 3 0.445 -7.317 -1.776 28 2HB PHE 3 2HB PHE 3 1.670 -8.394 -2.431 29 HD1 PHE 3 HD1 PHE 3 1.236 -9.684 -4.448 30 HD2 PHE 3 HD2 PHE 3 -1.616 -6.934 -2.904 31 HE1 PHE 3 HE1 PHE 3 0.061 -9.698 -6.606 32 HE2 PHE 3 HE2 PHE 3 -2.802 -6.945 -5.055 33 HZ PHE 3 HZ PHE 3 -1.962 -8.330 -6.914 34 H GLY 4 H GLY 4 2.221 -10.688 -1.865 35 1HA GLY 4 1HA GLY 4 3.877 -11.751 -0.561 36 2HA GLY 4 2HA GLY 4 3.300 -10.863 0.845 37 H ARG 5 H ARG 5 5.514 -10.294 1.308 38 HA ARG 5 HA ARG 5 6.236 -7.749 0.485 39 1HB ARG 5 1HB ARG 5 8.607 -8.529 1.294 40 2HB ARG 5 2HB ARG 5 7.289 -8.369 2.445 41 1HG ARG 5 1HG ARG 5 7.074 -10.632 2.728 42 2HG ARG 5 2HG ARG 5 7.741 -11.004 1.137 43 1HD ARG 5 1HD ARG 5 9.232 -11.590 3.058 44 2HD ARG 5 2HD ARG 5 9.956 -10.514 1.866 45 HE ARG 5 HE ARG 5 9.780 -8.732 3.412 46 1HH1 ARG 5 1HH1 ARG 5 8.773 -11.800 4.720 47 2HH1 ARG 5 2HH1 ARG 5 8.901 -11.286 6.368 48 1HH2 ARG 5 1HH2 ARG 5 9.952 -8.046 5.580 49 2HH2 ARG 5 2HH2 ARG 5 9.570 -9.152 6.857 50 H CYS 6 H CYS 6 8.001 -10.721 -0.440 51 HA CYS 6 HA CYS 6 9.164 -9.298 -2.659 52 1HB CYS 6 1HB CYS 6 9.406 -12.257 -2.375 53 2HB CYS 6 2HB CYS 6 10.577 -11.071 -2.939 54 H GLU 7 H GLU 7 6.638 -11.699 -2.157 55 HA GLU 7 HA GLU 7 6.212 -12.612 -4.718 56 1HB GLU 7 1HB GLU 7 4.758 -12.629 -2.333 57 2HB GLU 7 2HB GLU 7 3.693 -11.830 -3.480 58 1HG GLU 7 1HG GLU 7 3.259 -13.722 -4.572 59 2HG GLU 7 2HG GLU 7 4.946 -14.231 -4.550 60 H LEU 8 H LEU 8 4.936 -9.662 -3.240 61 HA LEU 8 HA LEU 8 3.776 -8.636 -5.597 62 1HB LEU 8 1HB LEU 8 2.931 -7.540 -3.776 63 2HB LEU 8 2HB LEU 8 4.462 -7.555 -2.919 64 HG LEU 8 HG LEU 8 5.241 -5.793 -4.609 65 1HD1 LEU 8 1HD1 LEU 8 2.336 -5.974 -5.257 66 2HD1 LEU 8 2HD1 LEU 8 3.158 -4.417 -5.356 67 3HD1 LEU 8 3HD1 LEU 8 3.721 -5.774 -6.330 68 1HD2 LEU 8 1HD2 LEU 8 3.812 -5.602 -2.182 69 2HD2 LEU 8 2HD2 LEU 8 4.955 -4.450 -2.874 70 3HD2 LEU 8 3HD2 LEU 8 3.234 -4.312 -3.238 71 H ALA 9 H ALA 9 7.001 -8.220 -4.085 72 HA ALA 9 HA ALA 9 7.943 -6.198 -5.757 73 1HB ALA 9 1HB ALA 9 10.006 -8.125 -5.144 74 2HB ALA 9 2HB ALA 9 9.816 -6.457 -4.604 75 3HB ALA 9 3HB ALA 9 9.004 -7.762 -3.740 76 H ALA 10 H ALA 10 8.327 -9.728 -6.181 77 HA ALA 10 HA ALA 10 9.684 -9.726 -8.576 78 1HB ALA 10 1HB ALA 10 9.150 -11.956 -8.753 79 2HB ALA 10 2HB ALA 10 7.497 -11.717 -8.185 80 3HB ALA 10 3HB ALA 10 8.836 -11.687 -7.038 81 H ALA 11 H ALA 11 6.223 -9.408 -7.944 82 HA ALA 11 HA ALA 11 5.435 -9.365 -10.650 83 1HB ALA 11 1HB ALA 11 3.941 -8.014 -8.440 84 2HB ALA 11 2HB ALA 11 3.950 -9.767 -8.632 85 3HB ALA 11 3HB ALA 11 3.292 -8.743 -9.908 86 H MET 12 H MET 12 6.332 -6.933 -8.400 87 HA MET 12 HA MET 12 5.700 -4.633 -9.860 88 1HB MET 12 1HB MET 12 8.122 -4.878 -8.089 89 2HB MET 12 2HB MET 12 7.190 -3.439 -8.428 90 1HG MET 12 1HG MET 12 5.247 -4.782 -7.322 91 2HG MET 12 2HG MET 12 6.570 -5.703 -6.610 92 1HE MET 12 1HE MET 12 5.617 -2.306 -7.652 93 2HE MET 12 2HE MET 12 5.457 -1.374 -6.164 94 3HE MET 12 3HE MET 12 7.021 -1.485 -6.971 95 H LYS 13 H LYS 13 8.765 -6.426 -9.682 96 HA LYS 13 HA LYS 13 10.259 -4.901 -11.445 97 1HB LYS 13 1HB LYS 13 10.573 -7.344 -10.112 98 2HB LYS 13 2HB LYS 13 10.777 -7.731 -11.815 99 1HG LYS 13 1HG LYS 13 12.270 -5.427 -11.469 100 2HG LYS 13 2HG LYS 13 12.561 -6.359 -9.998 101 1HD LYS 13 1HD LYS 13 13.053 -8.335 -11.468 102 2HD LYS 13 2HD LYS 13 12.985 -7.239 -12.849 103 1HE LYS 13 1HE LYS 13 14.689 -6.233 -10.725 104 2HE LYS 13 2HE LYS 13 15.211 -7.815 -11.304 105 1HZ LYS 13 1HZ LYS 13 15.119 -6.886 -13.587 106 2HZ LYS 13 2HZ LYS 13 14.816 -5.360 -12.923 107 3HZ LYS 13 3HZ LYS 13 16.278 -6.147 -12.602 108 H ARG 14 H ARG 14 8.035 -7.564 -12.073 109 HA ARG 14 HA ARG 14 8.433 -7.675 -14.864 110 1HB ARG 14 1HB ARG 14 6.922 -9.081 -12.975 111 2HB ARG 14 2HB ARG 14 5.734 -8.378 -14.063 112 1HG ARG 14 1HG ARG 14 6.214 -9.829 -15.672 113 2HG ARG 14 2HG ARG 14 7.950 -9.555 -15.506 114 1HD ARG 14 1HD ARG 14 7.615 -10.986 -13.316 115 2HD ARG 14 2HD ARG 14 6.206 -11.581 -14.195 116 HE ARG 14 HE ARG 14 8.497 -11.675 -15.846 117 1HH1 ARG 14 1HH1 ARG 14 7.034 -13.270 -13.115 118 2HH1 ARG 14 2HH1 ARG 14 7.782 -14.797 -13.442 119 1HH2 ARG 14 1HH2 ARG 14 9.486 -13.682 -16.284 120 2HH2 ARG 14 2HH2 ARG 14 9.177 -15.032 -15.242 121 H HIS 15 H HIS 15 6.166 -5.889 -12.798 122 HA HIS 15 HA HIS 15 4.740 -4.746 -14.968 123 1HB HIS 15 1HB HIS 15 4.854 -4.225 -12.008 124 2HB HIS 15 2HB HIS 15 3.872 -3.236 -13.085 125 HD1 HIS 15 HD1 HIS 15 2.174 -4.488 -11.158 126 HD2 HIS 15 HD2 HIS 15 3.466 -6.644 -14.467 127 HE1 HIS 15 HE1 HIS 15 0.539 -6.377 -11.407 128 HE2 HIS 15 HE2 HIS 15 1.394 -7.724 -13.359 129 H GLY 16 H GLY 16 7.860 -4.080 -13.826 130 1HA GLY 16 1HA GLY 16 7.900 -1.681 -15.369 131 2HA GLY 16 2HA GLY 16 9.259 -2.459 -14.587 132 H LEU 17 H LEU 17 7.708 -2.283 -11.875 133 HA LEU 17 HA LEU 17 7.582 0.565 -11.541 134 1HB LEU 17 1HB LEU 17 7.648 -1.373 -9.262 135 2HB LEU 17 2HB LEU 17 6.884 0.200 -9.330 136 HG LEU 17 HG LEU 17 5.841 -2.434 -10.058 137 1HD1 LEU 17 1HD1 LEU 17 5.101 -0.220 -8.525 138 2HD1 LEU 17 2HD1 LEU 17 3.922 -0.303 -9.834 139 3HD1 LEU 17 3HD1 LEU 17 4.177 -1.699 -8.786 140 1HD2 LEU 17 1HD2 LEU 17 5.528 -0.114 -11.935 141 2HD2 LEU 17 2HD2 LEU 17 5.844 -1.809 -12.305 142 3HD2 LEU 17 3HD2 LEU 17 4.247 -1.312 -11.749 143 H ASP 18 H ASP 18 10.002 -1.646 -11.620 144 HA ASP 18 HA ASP 18 11.765 -0.453 -9.685 145 1HB ASP 18 1HB ASP 18 12.223 -2.728 -10.097 146 2HB ASP 18 2HB ASP 18 12.128 -2.523 -11.841 147 H ASN 19 H ASN 19 11.842 1.706 -10.191 148 HA ASN 19 HA ASN 19 13.000 3.510 -11.033 149 1HB ASN 19 1HB ASN 19 14.410 1.486 -12.283 150 2HB ASN 19 2HB ASN 19 13.769 2.411 -13.638 151 2HD2 ASN 19 2HD2 ASN 19 13.908 4.911 -13.081 152 1HD2 ASN 19 1HD2 ASN 19 15.490 5.424 -12.615 153 H TYR 20 H TYR 20 10.319 2.958 -11.251 154 HA TYR 20 HA TYR 20 9.494 3.671 -13.960 155 1HB TYR 20 1HB TYR 20 8.304 1.909 -12.571 156 2HB TYR 20 2HB TYR 20 7.681 3.233 -11.591 157 HD1 TYR 20 HD1 TYR 20 7.639 1.700 -14.945 158 HD2 TYR 20 HD2 TYR 20 5.913 4.634 -12.393 159 HE1 TYR 20 HE1 TYR 20 5.806 2.013 -16.554 160 HE2 TYR 20 HE2 TYR 20 4.075 4.955 -13.994 161 HH TYR 20 HH TYR 20 3.702 4.616 -16.461 162 H ARG 21 H ARG 21 9.041 5.668 -14.572 163 HA ARG 21 HA ARG 21 8.717 7.929 -14.506 164 1HB ARG 21 1HB ARG 21 6.945 6.835 -12.521 165 2HB ARG 21 2HB ARG 21 7.584 8.368 -11.943 166 1HG ARG 21 1HG ARG 21 6.307 7.999 -14.642 167 2HG ARG 21 2HG ARG 21 5.440 8.536 -13.201 168 1HD ARG 21 1HD ARG 21 6.304 10.606 -13.306 169 2HD ARG 21 2HD ARG 21 7.905 10.021 -13.750 170 HE ARG 21 HE ARG 21 6.855 9.712 -16.050 171 1HH1 ARG 21 1HH1 ARG 21 5.884 12.184 -13.795 172 2HH1 ARG 21 2HH1 ARG 21 5.353 13.280 -15.027 173 1HH2 ARG 21 1HH2 ARG 21 6.158 11.149 -17.678 174 2HH2 ARG 21 2HH2 ARG 21 5.508 12.691 -17.234 175 H GLY 22 H GLY 22 10.940 6.448 -13.229 176 1HA GLY 22 1HA GLY 22 12.203 8.758 -11.978 177 2HA GLY 22 2HA GLY 22 13.022 7.328 -12.579 178 H TYR 23 H TYR 23 10.602 5.970 -10.827 179 HA TYR 23 HA TYR 23 12.176 6.201 -8.362 180 1HB TYR 23 1HB TYR 23 9.260 6.048 -8.818 181 2HB TYR 23 2HB TYR 23 9.893 5.222 -7.395 182 HD1 TYR 23 HD1 TYR 23 11.658 6.692 -6.021 183 HD2 TYR 23 HD2 TYR 23 8.621 8.255 -8.558 184 HE1 TYR 23 HE1 TYR 23 11.766 8.833 -4.819 185 HE2 TYR 23 HE2 TYR 23 8.720 10.401 -7.360 186 HH TYR 23 HH TYR 23 11.137 11.007 -4.867 187 H SER 24 H SER 24 13.140 4.524 -7.529 188 HA SER 24 HA SER 24 13.146 2.045 -8.939 189 1HB SER 24 1HB SER 24 14.859 1.368 -7.376 190 2HB SER 24 2HB SER 24 15.163 3.039 -7.848 191 HG SER 24 HG SER 24 15.250 2.455 -5.508 192 H LEU 25 H LEU 25 12.872 -0.022 -7.896 193 HA LEU 25 HA LEU 25 10.380 -0.616 -7.075 194 1HB LEU 25 1HB LEU 25 12.985 -1.910 -6.927 195 2HB LEU 25 2HB LEU 25 11.873 -2.474 -5.694 196 HG LEU 25 HG LEU 25 11.049 -2.366 -8.574 197 1HD1 LEU 25 1HD1 LEU 25 13.172 -3.644 -8.384 198 2HD1 LEU 25 2HD1 LEU 25 12.377 -4.710 -7.226 199 3HD1 LEU 25 3HD1 LEU 25 11.795 -4.623 -8.887 200 1HD2 LEU 25 1HD2 LEU 25 9.950 -3.324 -6.057 201 2HD2 LEU 25 2HD2 LEU 25 9.146 -2.991 -7.591 202 3HD2 LEU 25 3HD2 LEU 25 9.929 -4.550 -7.326 203 H GLY 26 H GLY 26 13.096 -0.211 -4.781 204 1HA GLY 26 1HA GLY 26 13.107 0.595 -2.626 205 2HA GLY 26 2HA GLY 26 11.881 -0.639 -2.407 206 H ASN 27 H ASN 27 11.607 2.374 -4.260 207 HA ASN 27 HA ASN 27 10.239 3.817 -2.250 208 1HB ASN 27 1HB ASN 27 9.997 4.276 -5.222 209 2HB ASN 27 2HB ASN 27 9.802 5.457 -3.931 210 2HD2 ASN 27 2HD2 ASN 27 11.811 5.577 -2.465 211 1HD2 ASN 27 1HD2 ASN 27 13.324 5.685 -3.295 212 H TRP 28 H TRP 28 9.159 1.646 -4.760 213 HA TRP 28 HA TRP 28 6.381 2.277 -4.502 214 1HB TRP 28 1HB TRP 28 7.707 -0.083 -5.818 215 2HB TRP 28 2HB TRP 28 6.028 0.420 -6.025 216 HD1 TRP 28 HD1 TRP 28 9.531 1.207 -7.159 217 HE1 TRP 28 HE1 TRP 28 9.459 3.039 -8.950 218 HE3 TRP 28 HE3 TRP 28 4.612 2.473 -6.795 219 HZ2 TRP 28 HZ2 TRP 28 7.584 4.813 -10.081 220 HZ3 TRP 28 HZ3 TRP 28 3.717 4.230 -8.255 221 HH2 TRP 28 HH2 TRP 28 5.176 5.384 -9.875 222 H VAL 29 H VAL 29 8.530 -0.179 -3.127 223 HA VAL 29 HA VAL 29 6.426 -1.743 -2.046 224 HB VAL 29 HB VAL 29 9.339 -1.579 -1.265 225 1HG1 VAL 29 1HG1 VAL 29 7.261 -3.642 -0.543 226 2HG1 VAL 29 2HG1 VAL 29 8.985 -3.759 -0.193 227 3HG1 VAL 29 3HG1 VAL 29 8.016 -2.491 0.558 228 1HG2 VAL 29 1HG2 VAL 29 7.826 -3.320 -3.188 229 2HG2 VAL 29 2HG2 VAL 29 9.249 -2.324 -3.490 230 3HG2 VAL 29 3HG2 VAL 29 9.389 -3.793 -2.524 231 H CYS 30 H CYS 30 8.639 0.658 -0.644 232 HA CYS 30 HA CYS 30 7.615 0.570 1.953 233 1HB CYS 30 1HB CYS 30 9.753 1.695 1.127 234 2HB CYS 30 2HB CYS 30 8.734 3.055 0.670 235 H ALA 31 H ALA 31 6.739 2.688 -0.787 236 HA ALA 31 HA ALA 31 4.861 4.246 0.582 237 1HB ALA 31 1HB ALA 31 5.325 3.591 -2.295 238 2HB ALA 31 2HB ALA 31 5.496 5.131 -1.453 239 3HB ALA 31 3HB ALA 31 3.890 4.498 -1.818 240 H ALA 32 H ALA 32 4.459 1.272 -1.312 241 HA ALA 32 HA ALA 32 1.650 1.130 -1.021 242 1HB ALA 32 1HB ALA 32 2.512 -0.097 -2.801 243 2HB ALA 32 2HB ALA 32 2.067 -1.333 -1.624 244 3HB ALA 32 3HB ALA 32 3.755 -0.853 -1.804 245 H LYS 33 H LYS 33 4.323 -0.348 0.806 246 HA LYS 33 HA LYS 33 2.946 -2.066 2.429 247 1HB LYS 33 1HB LYS 33 5.468 -1.600 2.277 248 2HB LYS 33 2HB LYS 33 5.179 -0.349 3.480 249 1HG LYS 33 1HG LYS 33 4.152 -2.132 4.927 250 2HG LYS 33 2HG LYS 33 4.762 -3.312 3.763 251 1HD LYS 33 1HD LYS 33 6.923 -3.022 4.398 252 2HD LYS 33 2HD LYS 33 6.697 -1.312 4.771 253 1HE LYS 33 1HE LYS 33 6.490 -1.787 6.929 254 2HE LYS 33 2HE LYS 33 5.132 -2.857 6.581 255 1HZ LYS 33 1HZ LYS 33 7.501 -4.174 5.876 256 2HZ LYS 33 2HZ LYS 33 7.701 -3.549 7.437 257 3HZ LYS 33 3HZ LYS 33 6.402 -4.577 7.097 258 H PHE 34 H PHE 34 3.743 1.320 3.248 259 HA PHE 34 HA PHE 34 2.081 1.224 5.544 260 1HB PHE 34 1HB PHE 34 3.773 3.215 4.280 261 2HB PHE 34 2HB PHE 34 2.486 3.848 5.287 262 HD1 PHE 34 HD1 PHE 34 2.404 3.217 7.687 263 HD2 PHE 34 HD2 PHE 34 5.698 2.197 5.193 264 HE1 PHE 34 HE1 PHE 34 3.777 2.787 9.683 265 HE2 PHE 34 HE2 PHE 34 7.077 1.765 7.185 266 HZ PHE 34 HZ PHE 34 6.117 2.060 9.433 267 H GLU 35 H GLU 35 1.585 2.211 2.256 268 HA GLU 35 HA GLU 35 -0.673 3.817 2.616 269 1HB GLU 35 1HB GLU 35 0.683 2.437 0.423 270 2HB GLU 35 2HB GLU 35 -1.053 2.573 0.185 271 1HG GLU 35 1HG GLU 35 -0.993 4.897 0.169 272 2HG GLU 35 2HG GLU 35 0.582 4.955 0.958 273 H SER 36 H SER 36 -0.485 0.389 1.691 274 HA SER 36 HA SER 36 -3.173 0.006 2.846 275 1HB SER 36 1HB SER 36 -3.704 -1.475 0.918 276 2HB SER 36 2HB SER 36 -3.409 0.193 0.431 277 HG SER 36 HG SER 36 -1.197 -1.468 0.470 278 H ASN 37 H ASN 37 -0.046 -0.938 3.106 279 HA ASN 37 HA ASN 37 1.004 -2.741 4.031 280 1HB ASN 37 1HB ASN 37 -1.829 -3.270 4.938 281 2HB ASN 37 2HB ASN 37 -0.491 -4.327 5.378 282 2HD2 ASN 37 2HD2 ASN 37 -1.332 -0.881 5.351 283 1HD2 ASN 37 1HD2 ASN 37 -0.620 -0.521 6.883 284 H PHE 38 H PHE 38 -0.051 -2.758 1.329 285 HA PHE 38 HA PHE 38 -0.072 -4.029 -0.494 286 1HB PHE 38 1HB PHE 38 0.830 -6.297 1.289 287 2HB PHE 38 2HB PHE 38 0.970 -6.206 -0.462 288 HD1 PHE 38 HD1 PHE 38 1.930 -3.514 -0.919 289 HD2 PHE 38 HD2 PHE 38 2.994 -6.291 2.125 290 HE1 PHE 38 HE1 PHE 38 4.122 -2.424 -0.702 291 HE2 PHE 38 HE2 PHE 38 5.190 -5.205 2.346 292 HZ PHE 38 HZ PHE 38 5.759 -3.273 0.931 293 H ASN 39 H ASN 39 -2.400 -3.852 1.389 294 HA ASN 39 HA ASN 39 -3.792 -6.350 1.000 295 1HB ASN 39 1HB ASN 39 -4.088 -4.527 2.904 296 2HB ASN 39 2HB ASN 39 -5.230 -3.847 1.752 297 2HD2 ASN 39 2HD2 ASN 39 -5.393 -5.327 4.423 298 1HD2 ASN 39 1HD2 ASN 39 -6.620 -6.511 4.150 299 H THR 40 H THR 40 -4.564 -6.883 -0.882 300 HA THR 40 HA THR 40 -4.736 -5.183 -3.095 301 HB THR 40 HB THR 40 -5.318 -7.038 -4.301 302 HG1 THR 40 HG1 THR 40 -6.899 -8.464 -3.690 303 1HG2 THR 40 1HG2 THR 40 -3.697 -7.610 -2.092 304 2HG2 THR 40 2HG2 THR 40 -4.799 -8.978 -2.251 305 3HG2 THR 40 3HG2 THR 40 -3.790 -8.496 -3.614 306 H GLN 41 H GLN 41 -6.826 -5.741 -0.500 307 HA GLN 41 HA GLN 41 -9.084 -4.521 -1.918 308 1HB GLN 41 1HB GLN 41 -8.796 -6.662 0.084 309 2HB GLN 41 2HB GLN 41 -10.159 -5.598 0.298 310 1HG GLN 41 1HG GLN 41 -10.518 -6.097 -2.265 311 2HG GLN 41 2HG GLN 41 -9.582 -7.537 -1.865 312 2HE2 GLN 41 2HE2 GLN 41 -12.572 -5.848 -1.445 313 1HE2 GLN 41 1HE2 GLN 41 -13.432 -7.132 -0.673 314 H ALA 42 H ALA 42 -6.671 -3.587 0.065 315 HA ALA 42 HA ALA 42 -7.909 -2.356 2.242 316 1HB ALA 42 1HB ALA 42 -5.304 -2.383 1.062 317 2HB ALA 42 2HB ALA 42 -5.778 -2.057 2.729 318 3HB ALA 42 3HB ALA 42 -5.730 -0.744 1.552 319 H THR 43 H THR 43 -9.183 -0.695 2.453 320 HA THR 43 HA THR 43 -9.251 1.383 0.362 321 HB THR 43 HB THR 43 -11.553 1.528 0.452 322 HG1 THR 43 HG1 THR 43 -11.861 0.052 2.825 323 1HG2 THR 43 1HG2 THR 43 -10.932 -1.349 1.112 324 2HG2 THR 43 2HG2 THR 43 -12.520 -0.790 0.586 325 3HG2 THR 43 3HG2 THR 43 -11.128 -0.629 -0.485 326 H ASN 44 H ASN 44 -8.895 3.450 1.113 327 HA ASN 44 HA ASN 44 -9.056 3.856 4.025 328 1HB ASN 44 1HB ASN 44 -6.771 4.125 2.259 329 2HB ASN 44 2HB ASN 44 -7.114 5.633 3.102 330 2HD2 ASN 44 2HD2 ASN 44 -6.815 5.762 5.287 331 1HD2 ASN 44 1HD2 ASN 44 -6.049 4.521 6.213 332 H ARG 45 H ARG 45 -10.701 5.187 4.380 333 HA ARG 45 HA ARG 45 -11.461 7.193 2.435 334 1HB ARG 45 1HB ARG 45 -12.630 6.703 5.177 335 2HB ARG 45 2HB ARG 45 -13.366 7.604 3.859 336 1HG ARG 45 1HG ARG 45 -14.431 5.724 3.351 337 2HG ARG 45 2HG ARG 45 -12.885 5.130 2.745 338 1HD ARG 45 1HD ARG 45 -12.815 3.583 4.336 339 2HD ARG 45 2HD ARG 45 -12.967 4.818 5.584 340 HE ARG 45 HE ARG 45 -15.230 3.445 4.288 341 1HH1 ARG 45 1HH1 ARG 45 -13.828 5.168 6.973 342 2HH1 ARG 45 2HH1 ARG 45 -15.215 4.970 7.990 343 1HH2 ARG 45 1HH2 ARG 45 -17.060 3.182 5.620 344 2HH2 ARG 45 2HH2 ARG 45 -17.052 3.842 7.221 345 H ASN 46 H ASN 46 -10.694 9.191 2.413 346 HA ASN 46 HA ASN 46 -9.294 10.203 4.780 347 1HB ASN 46 1HB ASN 46 -9.302 11.596 2.125 348 2HB ASN 46 2HB ASN 46 -8.059 11.588 3.372 349 2HD2 ASN 46 2HD2 ASN 46 -9.150 10.208 0.488 350 1HD2 ASN 46 1HD2 ASN 46 -7.988 8.936 0.369 351 H THR 47 H THR 47 -9.432 12.719 4.916 352 HA THR 47 HA THR 47 -12.203 13.331 5.434 353 HB THR 47 HB THR 47 -11.353 15.441 6.383 354 HG1 THR 47 HG1 THR 47 -9.173 15.904 6.312 355 1HG2 THR 47 1HG2 THR 47 -10.287 12.792 7.208 356 2HG2 THR 47 2HG2 THR 47 -9.627 14.223 8.000 357 3HG2 THR 47 3HG2 THR 47 -11.358 13.898 8.068 358 H ASP 48 H ASP 48 -10.094 13.733 2.827 359 HA ASP 48 HA ASP 48 -11.142 16.209 1.829 360 1HB ASP 48 1HB ASP 48 -9.936 15.510 -0.282 361 2HB ASP 48 2HB ASP 48 -8.930 15.657 1.154 362 H GLY 49 H GLY 49 -12.463 13.194 2.088 363 1HA GLY 49 1HA GLY 49 -14.404 13.805 -0.032 364 2HA GLY 49 2HA GLY 49 -14.691 12.764 1.354 365 H SER 50 H SER 50 -11.844 12.599 -0.699 366 HA SER 50 HA SER 50 -12.838 10.439 -2.294 367 1HB SER 50 1HB SER 50 -10.204 10.286 -2.742 368 2HB SER 50 2HB SER 50 -11.216 11.517 -3.494 369 HG SER 50 HG SER 50 -9.745 12.767 -2.604 370 H THR 51 H THR 51 -11.067 8.517 -2.454 371 HA THR 51 HA THR 51 -10.478 7.508 0.231 372 HB THR 51 HB THR 51 -11.816 5.612 -1.644 373 HG1 THR 51 HG1 THR 51 -13.805 6.337 -0.349 374 1HG2 THR 51 1HG2 THR 51 -11.309 5.866 1.273 375 2HG2 THR 51 2HG2 THR 51 -12.764 5.009 0.764 376 3HG2 THR 51 3HG2 THR 51 -11.180 4.456 0.222 377 H ASP 52 H ASP 52 -9.391 5.259 0.011 378 HA ASP 52 HA ASP 52 -7.572 5.277 -2.309 379 1HB ASP 52 1HB ASP 52 -6.871 4.574 0.549 380 2HB ASP 52 2HB ASP 52 -5.771 4.534 -0.826 381 H TYR 53 H TYR 53 -8.860 3.753 -3.368 382 HA TYR 53 HA TYR 53 -9.117 1.142 -2.074 383 1HB TYR 53 1HB TYR 53 -10.239 2.059 -4.728 384 2HB TYR 53 2HB TYR 53 -10.613 0.557 -3.894 385 HD1 TYR 53 HD1 TYR 53 -11.682 0.803 -1.530 386 HD2 TYR 53 HD2 TYR 53 -11.624 3.894 -4.448 387 HE1 TYR 53 HE1 TYR 53 -13.590 1.881 -0.416 388 HE2 TYR 53 HE2 TYR 53 -13.535 4.979 -3.347 389 HH TYR 53 HH TYR 53 -14.544 4.241 -0.268 390 H GLY 54 H GLY 54 -6.775 0.658 -2.246 391 1HA GLY 54 1HA GLY 54 -5.581 0.537 -4.835 392 2HA GLY 54 2HA GLY 54 -6.156 -1.042 -4.321 393 H ILE 55 H ILE 55 -3.801 -1.552 -4.512 394 HA ILE 55 HA ILE 55 -2.605 -1.559 -1.924 395 HB ILE 55 HB ILE 55 -2.225 -3.357 -3.647 396 1HG1 ILE 55 1HG1 ILE 55 0.364 -2.072 -2.767 397 2HG1 ILE 55 2HG1 ILE 55 -0.718 -2.896 -1.649 398 1HG2 ILE 55 1HG2 ILE 55 -0.622 -1.170 -4.949 399 2HG2 ILE 55 2HG2 ILE 55 -0.403 -2.882 -5.313 400 3HG2 ILE 55 3HG2 ILE 55 -1.953 -2.104 -5.637 401 1HD1 ILE 55 1HD1 ILE 55 -0.477 -4.950 -2.999 402 2HD1 ILE 55 2HD1 ILE 55 0.695 -4.108 -4.011 403 3HD1 ILE 55 3HD1 ILE 55 1.042 -4.384 -2.304 404 H LEU 56 H LEU 56 -2.442 0.412 -4.759 405 HA LEU 56 HA LEU 56 -0.322 2.059 -3.568 406 1HB LEU 56 1HB LEU 56 -0.842 1.251 -6.273 407 2HB LEU 56 2HB LEU 56 -1.002 2.993 -6.173 408 HG LEU 56 HG LEU 56 1.242 2.807 -6.720 409 1HD1 LEU 56 1HD1 LEU 56 0.789 3.806 -4.325 410 2HD1 LEU 56 2HD1 LEU 56 1.738 2.412 -3.811 411 3HD1 LEU 56 3HD1 LEU 56 2.429 3.584 -4.933 412 1HD2 LEU 56 1HD2 LEU 56 0.880 0.149 -6.029 413 2HD2 LEU 56 2HD2 LEU 56 2.354 0.878 -6.667 414 3HD2 LEU 56 3HD2 LEU 56 2.138 0.705 -4.925 415 H GLN 57 H GLN 57 -3.455 1.785 -3.269 416 HA GLN 57 HA GLN 57 -5.100 3.147 -2.556 417 1HB GLN 57 1HB GLN 57 -3.008 5.308 -2.812 418 2HB GLN 57 2HB GLN 57 -4.595 5.535 -2.090 419 1HG GLN 57 1HG GLN 57 -3.875 3.553 -0.564 420 2HG GLN 57 2HG GLN 57 -2.249 4.009 -1.069 421 2HE2 GLN 57 2HE2 GLN 57 -4.158 4.284 1.419 422 1HE2 GLN 57 1HE2 GLN 57 -3.798 5.880 1.973 423 H ILE 58 H ILE 58 -6.088 2.549 -4.692 424 HA ILE 58 HA ILE 58 -5.910 4.606 -6.721 425 HB ILE 58 HB ILE 58 -7.719 2.200 -6.761 426 1HG1 ILE 58 1HG1 ILE 58 -5.556 1.279 -6.387 427 2HG1 ILE 58 2HG1 ILE 58 -5.849 1.143 -8.117 428 1HG2 ILE 58 1HG2 ILE 58 -7.389 4.370 -8.490 429 2HG2 ILE 58 2HG2 ILE 58 -6.577 3.014 -9.272 430 3HG2 ILE 58 3HG2 ILE 58 -8.271 2.876 -8.803 431 1HD1 ILE 58 1HD1 ILE 58 -4.564 3.625 -7.635 432 2HD1 ILE 58 2HD1 ILE 58 -3.678 2.361 -6.782 433 3HD1 ILE 58 3HD1 ILE 58 -3.965 2.220 -8.516 434 H ASN 59 H ASN 59 -6.873 6.400 -5.914 435 HA ASN 59 HA ASN 59 -9.283 6.495 -4.496 436 1HB ASN 59 1HB ASN 59 -7.738 8.392 -4.587 437 2HB ASN 59 2HB ASN 59 -8.022 8.562 -6.318 438 2HD2 ASN 59 2HD2 ASN 59 -8.537 10.777 -5.614 439 1HD2 ASN 59 1HD2 ASN 59 -10.157 11.120 -5.119 440 H SER 60 H SER 60 -11.038 5.415 -5.328 441 HA SER 60 HA SER 60 -11.607 5.247 -8.087 442 1HB SER 60 1HB SER 60 -13.455 3.995 -7.464 443 2HB SER 60 2HB SER 60 -12.416 3.794 -6.053 444 HG SER 60 HG SER 60 -13.602 5.649 -5.168 445 H ARG 61 H ARG 61 -12.205 7.737 -5.775 446 HA ARG 61 HA ARG 61 -14.414 8.873 -7.283 447 1HB ARG 61 1HB ARG 61 -13.956 8.934 -4.673 448 2HB ARG 61 2HB ARG 61 -13.021 10.361 -5.099 449 1HG ARG 61 1HG ARG 61 -15.122 11.159 -6.311 450 2HG ARG 61 2HG ARG 61 -15.962 9.886 -5.423 451 1HD ARG 61 1HD ARG 61 -16.205 11.850 -4.133 452 2HD ARG 61 2HD ARG 61 -14.977 10.880 -3.319 453 HE ARG 61 HE ARG 61 -13.307 12.366 -4.325 454 1HH1 ARG 61 1HH1 ARG 61 -16.616 13.454 -4.199 455 2HH1 ARG 61 2HH1 ARG 61 -16.202 15.133 -4.276 456 1HH2 ARG 61 1HH2 ARG 61 -12.753 14.576 -4.425 457 2HH2 ARG 61 2HH2 ARG 61 -14.006 15.771 -4.405 458 H TRP 62 H TRP 62 -11.605 8.555 -8.313 459 HA TRP 62 HA TRP 62 -11.484 11.080 -9.662 460 1HB TRP 62 1HB TRP 62 -10.116 11.013 -7.289 461 2HB TRP 62 2HB TRP 62 -8.862 10.591 -8.450 462 HD1 TRP 62 HD1 TRP 62 -8.768 12.425 -10.652 463 HE1 TRP 62 HE1 TRP 62 -8.844 14.993 -10.509 464 HE3 TRP 62 HE3 TRP 62 -10.881 12.922 -6.022 465 HZ2 TRP 62 HZ2 TRP 62 -9.688 16.969 -8.678 466 HZ3 TRP 62 HZ3 TRP 62 -11.288 15.185 -5.148 467 HH2 TRP 62 HH2 TRP 62 -10.703 17.166 -6.450 468 H TRP 63 H TRP 63 -10.890 7.781 -9.602 469 HA TRP 63 HA TRP 63 -9.303 8.020 -12.054 470 1HB TRP 63 1HB TRP 63 -8.754 6.160 -9.740 471 2HB TRP 63 2HB TRP 63 -8.033 5.968 -11.336 472 HD1 TRP 63 HD1 TRP 63 -6.951 7.176 -8.179 473 HE1 TRP 63 HE1 TRP 63 -5.211 9.069 -8.386 474 HE3 TRP 63 HE3 TRP 63 -7.738 8.444 -13.037 475 HZ2 TRP 63 HZ2 TRP 63 -4.308 10.880 -10.381 476 HZ3 TRP 63 HZ3 TRP 63 -6.448 10.257 -14.034 477 HH2 TRP 63 HH2 TRP 63 -4.744 11.457 -12.735 478 H CYS 64 H CYS 64 -10.754 5.411 -10.120 479 HA CYS 64 HA CYS 64 -11.750 4.256 -12.613 480 1HB CYS 64 1HB CYS 64 -11.869 2.183 -11.542 481 2HB CYS 64 2HB CYS 64 -10.456 2.929 -10.809 482 H ASN 65 H ASN 65 -13.850 3.331 -12.758 483 HA ASN 65 HA ASN 65 -15.849 5.054 -11.465 484 1HB ASN 65 1HB ASN 65 -15.801 5.009 -13.941 485 2HB ASN 65 2HB ASN 65 -16.139 3.282 -13.900 486 2HD2 ASN 65 2HD2 ASN 65 -18.141 2.970 -14.537 487 1HD2 ASN 65 1HD2 ASN 65 -19.524 3.867 -14.022 488 H ASP 66 H ASP 66 -16.731 4.213 -9.698 489 HA ASP 66 HA ASP 66 -17.073 1.313 -9.494 490 1HB ASP 66 1HB ASP 66 -17.360 1.647 -7.127 491 2HB ASP 66 2HB ASP 66 -15.950 2.567 -7.643 492 H GLY 67 H GLY 67 -18.855 4.180 -10.063 493 1HA GLY 67 1HA GLY 67 -21.284 2.674 -10.394 494 2HA GLY 67 2HA GLY 67 -21.072 4.393 -10.691 495 H ARG 68 H ARG 68 -19.954 3.540 -7.632 496 HA ARG 68 HA ARG 68 -22.553 4.053 -6.372 497 1HB ARG 68 1HB ARG 68 -20.006 2.781 -5.421 498 2HB ARG 68 2HB ARG 68 -21.170 3.406 -4.262 499 1HG ARG 68 1HG ARG 68 -22.723 1.802 -4.741 500 2HG ARG 68 2HG ARG 68 -22.144 1.578 -6.392 501 1HD ARG 68 1HD ARG 68 -21.628 -0.366 -5.020 502 2HD ARG 68 2HD ARG 68 -20.152 0.445 -5.541 503 HE ARG 68 HE ARG 68 -19.693 0.965 -3.350 504 1HH1 ARG 68 1HH1 ARG 68 -22.967 -0.198 -3.612 505 2HH1 ARG 68 2HH1 ARG 68 -23.198 -0.318 -1.900 506 1HH2 ARG 68 1HH2 ARG 68 -19.987 0.808 -1.094 507 2HH2 ARG 68 2HH2 ARG 68 -21.504 0.253 -0.469 508 H THR 69 H THR 69 -19.987 5.779 -7.416 509 HA THR 69 HA THR 69 -20.463 7.878 -5.423 510 HB THR 69 HB THR 69 -17.684 7.487 -6.474 511 HG1 THR 69 HG1 THR 69 -18.700 6.290 -4.094 512 1HG2 THR 69 1HG2 THR 69 -18.930 8.808 -4.072 513 2HG2 THR 69 2HG2 THR 69 -17.195 8.519 -4.202 514 3HG2 THR 69 3HG2 THR 69 -18.007 9.557 -5.375 515 HA PRO 70 HA PRO 70 -21.030 9.904 -9.423 516 1HB PRO 70 1HB PRO 70 -22.153 12.160 -8.424 517 2HB PRO 70 2HB PRO 70 -23.055 10.655 -8.635 518 1HG PRO 70 1HG PRO 70 -21.813 11.788 -6.158 519 2HG PRO 70 2HG PRO 70 -23.401 11.025 -6.365 520 1HD PRO 70 1HD PRO 70 -21.272 9.705 -5.335 521 2HD PRO 70 2HD PRO 70 -22.526 8.893 -6.294 522 H GLY 71 H GLY 71 -20.283 11.938 -10.372 523 1HA GLY 71 1HA GLY 71 -18.496 13.637 -8.908 524 2HA GLY 71 2HA GLY 71 -18.798 13.688 -10.638 525 H SER 72 H SER 72 -18.089 10.576 -10.109 526 HA SER 72 HA SER 72 -15.318 10.530 -9.642 527 1HB SER 72 1HB SER 72 -16.559 8.497 -9.395 528 2HB SER 72 2HB SER 72 -17.146 8.583 -11.055 529 HG SER 72 HG SER 72 -14.851 7.526 -10.106 530 H ARG 73 H ARG 73 -13.672 11.123 -10.871 531 HA ARG 73 HA ARG 73 -13.961 12.298 -13.399 532 1HB ARG 73 1HB ARG 73 -11.587 11.271 -11.869 533 2HB ARG 73 2HB ARG 73 -11.401 11.905 -13.499 534 1HG ARG 73 1HG ARG 73 -12.797 13.515 -11.404 535 2HG ARG 73 2HG ARG 73 -11.034 13.470 -11.479 536 1HD ARG 73 1HD ARG 73 -12.737 14.128 -13.867 537 2HD ARG 73 2HD ARG 73 -12.191 15.358 -12.728 538 HE ARG 73 HE ARG 73 -9.892 14.144 -13.389 539 1HH1 ARG 73 1HH1 ARG 73 -12.508 15.389 -15.324 540 2HH1 ARG 73 2HH1 ARG 73 -11.495 15.783 -16.673 541 1HH2 ARG 73 1HH2 ARG 73 -8.550 14.660 -15.158 542 2HH2 ARG 73 2HH2 ARG 73 -9.245 15.369 -16.578 543 H ASN 74 H ASN 74 -13.129 9.032 -12.432 544 HA ASN 74 HA ASN 74 -12.879 7.068 -13.573 545 1HB ASN 74 1HB ASN 74 -15.269 7.678 -14.118 546 2HB ASN 74 2HB ASN 74 -14.687 8.373 -15.627 547 2HD2 ASN 74 2HD2 ASN 74 -13.297 5.521 -14.178 548 1HD2 ASN 74 1HD2 ASN 74 -13.855 4.404 -15.372 549 H LEU 75 H LEU 75 -11.078 9.318 -14.100 550 HA LEU 75 HA LEU 75 -10.297 9.635 -16.724 551 1HB LEU 75 1HB LEU 75 -9.040 9.675 -14.044 552 2HB LEU 75 2HB LEU 75 -7.950 9.616 -15.413 553 HG LEU 75 HG LEU 75 -10.060 11.709 -14.820 554 1HD1 LEU 75 1HD1 LEU 75 -7.048 11.894 -14.881 555 2HD1 LEU 75 2HD1 LEU 75 -8.155 13.242 -14.625 556 3HD1 LEU 75 3HD1 LEU 75 -8.070 11.934 -13.445 557 1HD2 LEU 75 1HD2 LEU 75 -8.196 11.487 -17.186 558 2HD2 LEU 75 2HD2 LEU 75 -9.955 11.376 -17.209 559 3HD2 LEU 75 3HD2 LEU 75 -9.174 12.902 -16.799 560 H CYS 76 H CYS 76 -8.491 7.761 -14.483 561 HA CYS 76 HA CYS 76 -6.970 6.148 -15.934 562 1HB CYS 76 1HB CYS 76 -7.832 6.325 -13.359 563 2HB CYS 76 2HB CYS 76 -8.383 4.723 -13.822 564 H ASN 77 H ASN 77 -10.427 5.819 -15.498 565 HA ASN 77 HA ASN 77 -12.002 4.419 -16.372 566 1HB ASN 77 1HB ASN 77 -10.153 5.101 -18.501 567 2HB ASN 77 2HB ASN 77 -10.871 3.516 -18.771 568 2HD2 ASN 77 2HD2 ASN 77 -11.195 6.491 -19.732 569 1HD2 ASN 77 1HD2 ASN 77 -12.911 6.639 -19.865 570 H ILE 78 H ILE 78 -10.771 3.141 -14.489 571 HA ILE 78 HA ILE 78 -10.078 0.523 -15.615 572 HB ILE 78 HB ILE 78 -8.338 0.261 -14.229 573 1HG1 ILE 78 1HG1 ILE 78 -10.225 1.318 -12.222 574 2HG1 ILE 78 2HG1 ILE 78 -9.079 -0.010 -12.097 575 1HG2 ILE 78 1HG2 ILE 78 -8.072 2.481 -15.320 576 2HG2 ILE 78 2HG2 ILE 78 -8.639 3.226 -13.826 577 3HG2 ILE 78 3HG2 ILE 78 -7.145 2.289 -13.831 578 1HD1 ILE 78 1HD1 ILE 78 -7.274 1.670 -11.785 579 2HD1 ILE 78 2HD1 ILE 78 -8.514 2.922 -11.747 580 3HD1 ILE 78 3HD1 ILE 78 -8.491 1.666 -10.508 581 HA PRO 79 HA PRO 79 -13.435 -1.150 -13.253 582 1HB PRO 79 1HB PRO 79 -12.061 -3.693 -12.979 583 2HB PRO 79 2HB PRO 79 -13.433 -3.292 -14.012 584 1HG PRO 79 1HG PRO 79 -10.945 -3.868 -14.973 585 2HG PRO 79 2HG PRO 79 -12.099 -2.816 -15.812 586 1HD PRO 79 1HD PRO 79 -9.737 -2.078 -14.126 587 2HD PRO 79 2HD PRO 79 -10.319 -1.345 -15.638 588 H CYS 80 H CYS 80 -13.663 -0.512 -11.192 589 HA CYS 80 HA CYS 80 -11.603 -0.402 -9.311 590 1HB CYS 80 1HB CYS 80 -14.545 -0.498 -8.663 591 2HB CYS 80 2HB CYS 80 -13.263 0.271 -7.734 592 H SER 81 H SER 81 -14.436 -2.587 -9.222 593 HA SER 81 HA SER 81 -13.474 -4.164 -7.112 594 1HB SER 81 1HB SER 81 -15.121 -5.902 -8.129 595 2HB SER 81 2HB SER 81 -15.764 -4.378 -7.517 596 HG SER 81 HG SER 81 -15.698 -5.358 -10.077 597 H ALA 82 H ALA 82 -12.608 -4.174 -10.462 598 HA ALA 82 HA ALA 82 -11.500 -6.863 -10.332 599 1HB ALA 82 1HB ALA 82 -12.487 -5.304 -12.405 600 2HB ALA 82 2HB ALA 82 -11.659 -6.855 -12.550 601 3HB ALA 82 3HB ALA 82 -10.745 -5.351 -12.678 602 H LEU 83 H LEU 83 -10.543 -3.664 -9.741 603 HA LEU 83 HA LEU 83 -7.707 -4.181 -10.150 604 1HB LEU 83 1HB LEU 83 -7.407 -1.943 -10.123 605 2HB LEU 83 2HB LEU 83 -9.129 -1.920 -10.443 606 HG LEU 83 HG LEU 83 -9.187 -1.894 -7.752 607 1HD1 LEU 83 1HD1 LEU 83 -6.502 -0.920 -8.567 608 2HD1 LEU 83 2HD1 LEU 83 -7.356 -0.042 -7.297 609 3HD1 LEU 83 3HD1 LEU 83 -7.007 -1.760 -7.100 610 1HD2 LEU 83 1HD2 LEU 83 -9.513 -0.021 -9.881 611 2HD2 LEU 83 2HD2 LEU 83 -10.314 -0.069 -8.311 612 3HD2 LEU 83 3HD2 LEU 83 -8.788 0.795 -8.496 613 H LEU 84 H LEU 84 -9.953 -4.811 -7.841 614 HA LEU 84 HA LEU 84 -8.092 -4.527 -5.595 615 1HB LEU 84 1HB LEU 84 -11.016 -5.250 -5.535 616 2HB LEU 84 2HB LEU 84 -10.015 -4.812 -4.167 617 HG LEU 84 HG LEU 84 -10.996 -3.038 -6.381 618 1HD1 LEU 84 1HD1 LEU 84 -12.214 -3.641 -4.098 619 2HD1 LEU 84 2HD1 LEU 84 -11.169 -2.350 -3.508 620 3HD1 LEU 84 3HD1 LEU 84 -12.302 -2.035 -4.822 621 1HD2 LEU 84 1HD2 LEU 84 -8.848 -2.474 -4.343 622 2HD2 LEU 84 2HD2 LEU 84 -8.693 -2.447 -6.100 623 3HD2 LEU 84 3HD2 LEU 84 -9.674 -1.230 -5.283 624 H SER 85 H SER 85 -8.713 -6.704 -7.875 625 HA SER 85 HA SER 85 -9.098 -9.129 -6.453 626 1HB SER 85 1HB SER 85 -8.958 -8.370 -9.132 627 2HB SER 85 2HB SER 85 -7.572 -9.436 -8.905 628 HG SER 85 HG SER 85 -9.781 -10.354 -9.437 629 H SER 86 H SER 86 -7.213 -10.854 -7.139 630 HA SER 86 HA SER 86 -5.044 -10.168 -5.358 631 1HB SER 86 1HB SER 86 -6.247 -12.466 -5.590 632 2HB SER 86 2HB SER 86 -5.173 -12.707 -6.967 633 HG SER 86 HG SER 86 -3.852 -11.785 -4.774 634 H ASP 87 H ASP 87 -5.308 -8.759 -7.906 635 HA ASP 87 HA ASP 87 -2.640 -9.332 -8.990 636 1HB ASP 87 1HB ASP 87 -4.292 -10.222 -10.545 637 2HB ASP 87 2HB ASP 87 -5.133 -8.677 -10.564 638 H ILE 88 H ILE 88 -1.352 -7.617 -8.802 639 HA ILE 88 HA ILE 88 -2.433 -5.040 -8.112 640 HB ILE 88 HB ILE 88 0.150 -4.464 -8.431 641 1HG1 ILE 88 1HG1 ILE 88 0.478 -7.258 -7.474 642 2HG1 ILE 88 2HG1 ILE 88 0.293 -7.021 -9.209 643 1HG2 ILE 88 1HG2 ILE 88 -1.551 -5.018 -6.306 644 2HG2 ILE 88 2HG2 ILE 88 -0.098 -5.964 -5.986 645 3HG2 ILE 88 3HG2 ILE 88 0.020 -4.222 -6.234 646 1HD1 ILE 88 1HD1 ILE 88 2.173 -5.126 -8.253 647 2HD1 ILE 88 2HD1 ILE 88 2.607 -6.715 -7.623 648 3HD1 ILE 88 3HD1 ILE 88 2.424 -6.475 -9.361 649 H THR 89 H THR 89 -1.951 -6.563 -11.036 650 HA THR 89 HA THR 89 -0.727 -4.730 -12.678 651 HB THR 89 HB THR 89 -3.149 -6.415 -13.343 652 HG1 THR 89 HG1 THR 89 -0.858 -7.253 -12.631 653 1HG2 THR 89 1HG2 THR 89 -1.278 -4.790 -15.027 654 2HG2 THR 89 2HG2 THR 89 -2.025 -6.248 -15.682 655 3HG2 THR 89 3HG2 THR 89 -3.034 -4.917 -15.115 656 H ALA 90 H ALA 90 -4.190 -4.821 -11.818 657 HA ALA 90 HA ALA 90 -4.866 -2.547 -13.270 658 1HB ALA 90 1HB ALA 90 -6.530 -4.165 -12.679 659 2HB ALA 90 2HB ALA 90 -6.968 -2.604 -11.986 660 3HB ALA 90 3HB ALA 90 -6.267 -3.858 -10.963 661 H SER 91 H SER 91 -4.298 -2.953 -9.763 662 HA SER 91 HA SER 91 -4.713 -0.261 -9.071 663 1HB SER 91 1HB SER 91 -2.723 -1.847 -7.526 664 2HB SER 91 2HB SER 91 -4.066 -0.860 -6.950 665 HG SER 91 HG SER 91 -4.052 -3.516 -7.837 666 H VAL 92 H VAL 92 -1.937 -1.921 -10.331 667 HA VAL 92 HA VAL 92 -0.185 0.298 -9.773 668 HB VAL 92 HB VAL 92 0.305 -2.194 -11.403 669 1HG1 VAL 92 1HG1 VAL 92 2.127 0.153 -10.852 670 2HG1 VAL 92 2HG1 VAL 92 2.698 -1.415 -11.425 671 3HG1 VAL 92 3HG1 VAL 92 1.606 -0.455 -12.423 672 1HG2 VAL 92 1HG2 VAL 92 0.222 -1.976 -8.731 673 2HG2 VAL 92 2HG2 VAL 92 1.321 -3.070 -9.572 674 3HG2 VAL 92 3HG2 VAL 92 1.898 -1.503 -9.006 675 H ASN 93 H ASN 93 -1.685 -1.063 -12.708 676 HA ASN 93 HA ASN 93 -0.594 0.580 -14.542 677 1HB ASN 93 1HB ASN 93 -1.946 -0.623 -15.808 678 2HB ASN 93 2HB ASN 93 -2.807 -1.137 -14.380 679 2HD2 ASN 93 2HD2 ASN 93 -2.707 1.168 -16.978 680 1HD2 ASN 93 1HD2 ASN 93 -4.337 1.721 -16.821 681 H CYS 94 H CYS 94 -3.342 1.174 -12.457 682 HA CYS 94 HA CYS 94 -3.980 3.731 -13.447 683 1HB CYS 94 1HB CYS 94 -5.256 2.119 -11.771 684 2HB CYS 94 2HB CYS 94 -4.426 3.100 -10.565 685 H ALA 95 H ALA 95 -1.994 2.694 -10.662 686 HA ALA 95 HA ALA 95 -1.248 5.345 -9.965 687 1HB ALA 95 1HB ALA 95 -1.069 3.494 -8.392 688 2HB ALA 95 2HB ALA 95 0.245 2.815 -9.355 689 3HB ALA 95 3HB ALA 95 0.447 4.380 -8.567 690 H LYS 96 H LYS 96 -0.018 3.032 -12.253 691 HA LYS 96 HA LYS 96 2.513 4.011 -12.756 692 1HB LYS 96 1HB LYS 96 0.428 2.706 -14.476 693 2HB LYS 96 2HB LYS 96 1.880 3.351 -15.231 694 1HG LYS 96 1HG LYS 96 3.276 1.892 -13.969 695 2HG LYS 96 2HG LYS 96 1.921 1.375 -12.964 696 1HD LYS 96 1HD LYS 96 1.968 -0.376 -14.419 697 2HD LYS 96 2HD LYS 96 0.924 0.710 -15.338 698 1HE LYS 96 1HE LYS 96 2.740 1.419 -16.709 699 2HE LYS 96 2HE LYS 96 3.914 0.601 -15.679 700 1HZ LYS 96 1HZ LYS 96 2.765 -1.517 -16.310 701 2HZ LYS 96 2HZ LYS 96 1.908 -0.639 -17.474 702 3HZ LYS 96 3HZ LYS 96 3.594 -0.751 -17.569 703 H LYS 97 H LYS 97 -0.649 4.996 -13.732 704 HA LYS 97 HA LYS 97 0.194 7.260 -15.326 705 1HB LYS 97 1HB LYS 97 -2.245 5.820 -14.896 706 2HB LYS 97 2HB LYS 97 -2.534 7.523 -14.571 707 1HG LYS 97 1HG LYS 97 -2.318 8.110 -16.729 708 2HG LYS 97 2HG LYS 97 -1.019 6.951 -17.024 709 1HD LYS 97 1HD LYS 97 -2.437 5.386 -17.776 710 2HD LYS 97 2HD LYS 97 -3.603 5.698 -16.487 711 1HE LYS 97 1HE LYS 97 -3.567 7.928 -18.266 712 2HE LYS 97 2HE LYS 97 -3.751 6.450 -19.209 713 1HZ LYS 97 1HZ LYS 97 -5.426 7.123 -16.854 714 2HZ LYS 97 2HZ LYS 97 -5.873 7.453 -18.452 715 3HZ LYS 97 3HZ LYS 97 -5.661 5.852 -17.947 716 H ILE 98 H ILE 98 -0.975 6.635 -12.068 717 HA ILE 98 HA ILE 98 -1.445 9.245 -11.237 718 HB ILE 98 HB ILE 98 -0.498 6.892 -9.631 719 1HG1 ILE 98 1HG1 ILE 98 -3.233 8.177 -9.858 720 2HG1 ILE 98 2HG1 ILE 98 -2.743 6.731 -10.734 721 1HG2 ILE 98 1HG2 ILE 98 -0.932 9.700 -8.881 722 2HG2 ILE 98 2HG2 ILE 98 -1.706 8.511 -7.834 723 3HG2 ILE 98 3HG2 ILE 98 0.036 8.452 -8.099 724 1HD1 ILE 98 1HD1 ILE 98 -2.622 6.854 -7.746 725 2HD1 ILE 98 2HD1 ILE 98 -4.111 6.448 -8.598 726 3HD1 ILE 98 3HD1 ILE 98 -2.678 5.440 -8.799 727 H VAL 99 H VAL 99 1.462 7.295 -10.989 728 HA VAL 99 HA VAL 99 3.104 9.356 -9.927 729 HB VAL 99 HB VAL 99 3.536 6.926 -9.604 730 1HG1 VAL 99 1HG1 VAL 99 3.038 6.453 -12.091 731 2HG1 VAL 99 2HG1 VAL 99 4.731 6.877 -12.350 732 3HG1 VAL 99 3HG1 VAL 99 4.312 5.530 -11.291 733 1HG2 VAL 99 1HG2 VAL 99 5.489 8.953 -10.376 734 2HG2 VAL 99 2HG2 VAL 99 5.470 7.866 -8.988 735 3HG2 VAL 99 3HG2 VAL 99 6.088 7.302 -10.540 736 H SER 100 H SER 100 2.155 8.436 -13.140 737 HA SER 100 HA SER 100 4.377 9.801 -14.405 738 1HB SER 100 1HB SER 100 3.558 8.987 -16.436 739 2HB SER 100 2HB SER 100 3.083 7.727 -15.299 740 HG SER 100 HG SER 100 1.496 8.873 -16.915 741 H ASP 101 H ASP 101 1.503 10.728 -12.987 742 HA ASP 101 HA ASP 101 1.538 13.266 -14.479 743 1HB ASP 101 1HB ASP 101 -0.577 11.376 -14.445 744 2HB ASP 101 2HB ASP 101 -1.106 12.768 -13.505 745 H GLY 102 H GLY 102 1.783 11.746 -11.503 746 1HA GLY 102 1HA GLY 102 1.050 12.532 -9.350 747 2HA GLY 102 2HA GLY 102 0.841 14.128 -10.052 748 H ASN 103 H ASN 103 2.508 12.831 -7.776 749 HA ASN 103 HA ASN 103 5.079 14.050 -8.536 750 1HB ASN 103 1HB ASN 103 3.809 14.220 -5.798 751 2HB ASN 103 2HB ASN 103 5.283 15.022 -6.337 752 2HD2 ASN 103 2HD2 ASN 103 4.962 16.459 -8.289 753 1HD2 ASN 103 1HD2 ASN 103 3.554 17.459 -8.284 754 H GLY 104 H GLY 104 5.203 11.566 -9.016 755 1HA GLY 104 1HA GLY 104 7.155 10.453 -7.455 756 2HA GLY 104 2HA GLY 104 6.103 9.521 -8.502 757 H MET 105 H MET 105 7.309 9.376 -5.631 758 HA MET 105 HA MET 105 5.117 7.865 -4.510 759 1HB MET 105 1HB MET 105 7.627 8.354 -2.985 760 2HB MET 105 2HB MET 105 6.686 6.879 -3.149 761 1HG MET 105 1HG MET 105 8.517 8.058 -5.224 762 2HG MET 105 2HG MET 105 8.853 6.658 -4.208 763 1HE MET 105 1HE MET 105 6.677 5.121 -3.890 764 2HE MET 105 2HE MET 105 5.272 5.626 -4.829 765 3HE MET 105 3HE MET 105 6.158 4.170 -5.282 766 H ASN 106 H ASN 106 6.096 11.032 -4.477 767 HA ASN 106 HA ASN 106 5.645 11.691 -1.749 768 1HB ASN 106 1HB ASN 106 6.188 13.134 -4.282 769 2HB ASN 106 2HB ASN 106 5.406 14.044 -3.004 770 2HD2 ASN 106 2HD2 ASN 106 6.644 14.911 -1.484 771 1HD2 ASN 106 1HD2 ASN 106 8.303 14.524 -1.201 772 H ALA 107 H ALA 107 3.628 11.419 -4.594 773 HA ALA 107 HA ALA 107 1.473 13.011 -3.912 774 1HB ALA 107 1HB ALA 107 1.790 10.529 -5.519 775 2HB ALA 107 2HB ALA 107 0.158 11.061 -5.118 776 3HB ALA 107 3HB ALA 107 1.241 12.132 -6.008 777 H TRP 108 H TRP 108 2.087 9.640 -3.003 778 HA TRP 108 HA TRP 108 -0.257 9.511 -1.349 779 1HB TRP 108 1HB TRP 108 2.062 7.585 -1.610 780 2HB TRP 108 2HB TRP 108 0.541 7.253 -0.782 781 HD1 TRP 108 HD1 TRP 108 -1.679 7.054 -2.358 782 HE1 TRP 108 HE1 TRP 108 -1.925 6.362 -4.824 783 HE3 TRP 108 HE3 TRP 108 3.170 7.643 -3.854 784 HZ2 TRP 108 HZ2 TRP 108 -0.280 6.094 -7.114 785 HZ3 TRP 108 HZ3 TRP 108 3.751 7.157 -6.192 786 HH2 TRP 108 HH2 TRP 108 2.065 6.395 -7.785 787 H VAL 109 H VAL 109 -0.421 9.720 0.786 788 HA VAL 109 HA VAL 109 1.607 11.160 2.182 789 HB VAL 109 HB VAL 109 -0.664 10.083 3.631 790 1HG1 VAL 109 1HG1 VAL 109 0.972 12.542 3.598 791 2HG1 VAL 109 2HG1 VAL 109 -0.691 12.679 4.169 792 3HG1 VAL 109 3HG1 VAL 109 0.426 11.568 4.962 793 1HG2 VAL 109 1HG2 VAL 109 -0.936 11.622 1.155 794 2HG2 VAL 109 2HG2 VAL 109 -2.107 10.595 1.982 795 3HG2 VAL 109 3HG2 VAL 109 -1.848 12.253 2.525 796 H ALA 110 H ALA 110 0.833 7.813 2.010 797 HA ALA 110 HA ALA 110 1.800 7.142 4.621 798 1HB ALA 110 1HB ALA 110 1.571 5.298 2.248 799 2HB ALA 110 2HB ALA 110 1.584 4.861 3.957 800 3HB ALA 110 3HB ALA 110 0.209 5.734 3.280 801 H TRP 111 H TRP 111 3.187 7.547 1.472 802 HA TRP 111 HA TRP 111 5.718 6.380 2.243 803 1HB TRP 111 1HB TRP 111 5.007 6.222 -0.098 804 2HB TRP 111 2HB TRP 111 4.981 7.972 -0.225 805 HD1 TRP 111 HD1 TRP 111 7.327 5.006 -0.312 806 HE1 TRP 111 HE1 TRP 111 9.684 5.804 -0.970 807 HE3 TRP 111 HE3 TRP 111 6.588 10.058 -0.020 808 HZ2 TRP 111 HZ2 TRP 111 11.049 8.250 -1.319 809 HZ3 TRP 111 HZ3 TRP 111 8.471 11.556 -0.531 810 HH2 TRP 111 HH2 TRP 111 10.654 10.669 -1.167 811 H ARG 112 H ARG 112 4.222 9.556 2.026 812 HA ARG 112 HA ARG 112 6.716 10.877 2.757 813 1HB ARG 112 1HB ARG 112 4.104 11.685 1.675 814 2HB ARG 112 2HB ARG 112 4.828 12.813 2.811 815 1HG ARG 112 1HG ARG 112 6.751 11.889 0.861 816 2HG ARG 112 2HG ARG 112 5.344 12.629 0.095 817 1HD ARG 112 1HD ARG 112 6.726 13.956 2.400 818 2HD ARG 112 2HD ARG 112 7.337 14.132 0.755 819 HE ARG 112 HE ARG 112 5.357 15.289 0.176 820 1HH1 ARG 112 1HH1 ARG 112 5.534 14.463 3.556 821 2HH1 ARG 112 2HH1 ARG 112 4.324 15.606 4.031 822 1HH2 ARG 112 1HH2 ARG 112 3.763 16.798 0.793 823 2HH2 ARG 112 2HH2 ARG 112 3.316 16.933 2.460 824 H ASN 113 H ASN 113 5.971 9.148 4.688 825 HA ASN 113 HA ASN 113 5.445 10.934 6.906 826 1HB ASN 113 1HB ASN 113 3.394 9.199 5.878 827 2HB ASN 113 2HB ASN 113 3.843 8.686 7.500 828 2HD2 ASN 113 2HD2 ASN 113 1.848 9.327 8.317 829 1HD2 ASN 113 1HD2 ASN 113 1.450 10.991 8.558 830 H ARG 114 H ARG 114 5.581 7.459 6.186 831 HA ARG 114 HA ARG 114 7.592 7.187 8.320 832 1HB ARG 114 1HB ARG 114 5.291 5.518 7.486 833 2HB ARG 114 2HB ARG 114 6.733 4.676 8.020 834 1HG ARG 114 1HG ARG 114 5.614 4.863 9.998 835 2HG ARG 114 2HG ARG 114 6.570 6.347 10.041 836 1HD ARG 114 1HD ARG 114 4.568 7.473 8.942 837 2HD ARG 114 2HD ARG 114 3.664 6.013 9.347 838 HE ARG 114 HE ARG 114 3.856 6.551 11.624 839 1HH1 ARG 114 1HH1 ARG 114 5.368 8.924 9.570 840 2HH1 ARG 114 2HH1 ARG 114 5.443 10.135 10.805 841 1HH2 ARG 114 1HH2 ARG 114 3.949 8.140 13.257 842 2HH2 ARG 114 2HH2 ARG 114 4.636 9.690 12.902 843 H CYS 115 H CYS 115 7.519 7.436 5.113 844 HA CYS 115 HA CYS 115 9.509 5.307 4.695 845 1HB CYS 115 1HB CYS 115 7.517 6.570 2.845 846 2HB CYS 115 2HB CYS 115 8.956 5.782 2.206 847 H LYS 116 H LYS 116 8.745 8.645 3.680 848 HA LYS 116 HA LYS 116 11.218 9.181 2.487 849 1HB LYS 116 1HB LYS 116 9.072 10.536 2.325 850 2HB LYS 116 2HB LYS 116 9.498 11.228 3.884 851 1HG LYS 116 1HG LYS 116 11.487 12.201 2.985 852 2HG LYS 116 2HG LYS 116 11.265 11.357 1.452 853 1HD LYS 116 1HD LYS 116 9.379 12.664 0.893 854 2HD LYS 116 2HD LYS 116 9.234 13.293 2.537 855 1HE LYS 116 1HE LYS 116 10.388 15.064 1.833 856 2HE LYS 116 2HE LYS 116 11.796 14.005 1.770 857 1HZ LYS 116 1HZ LYS 116 10.373 13.585 -0.573 858 2HZ LYS 116 2HZ LYS 116 10.434 15.263 -0.357 859 3HZ LYS 116 3HZ LYS 116 11.866 14.363 -0.400 860 H GLY 117 H GLY 117 12.921 8.463 3.758 861 1HA GLY 117 1HA GLY 117 13.272 9.832 6.345 862 2HA GLY 117 2HA GLY 117 14.552 9.855 5.143 863 H THR 118 H THR 118 13.285 6.914 4.682 864 HA THR 118 HA THR 118 14.951 5.677 6.773 865 HB THR 118 HB THR 118 13.531 3.663 6.541 866 HG1 THR 118 HG1 THR 118 12.709 4.818 4.350 867 1HG2 THR 118 1HG2 THR 118 12.012 6.193 7.187 868 2HG2 THR 118 2HG2 THR 118 11.544 4.563 7.675 869 3HG2 THR 118 3HG2 THR 118 13.030 5.279 8.300 870 H ASP 119 H ASP 119 14.588 3.049 5.420 871 HA ASP 119 HA ASP 119 16.287 3.468 3.072 872 1HB ASP 119 1HB ASP 119 17.368 2.634 5.283 873 2HB ASP 119 2HB ASP 119 16.721 1.106 4.731 874 H VAL 120 H VAL 120 14.750 3.073 1.555 875 HA VAL 120 HA VAL 120 12.909 0.917 1.681 876 HB VAL 120 HB VAL 120 12.443 1.457 -0.695 877 1HG1 VAL 120 1HG1 VAL 120 12.049 3.095 1.584 878 2HG1 VAL 120 2HG1 VAL 120 12.325 4.151 0.200 879 3HG1 VAL 120 3HG1 VAL 120 11.035 2.948 0.150 880 1HG2 VAL 120 1HG2 VAL 120 14.993 2.843 -0.427 881 2HG2 VAL 120 2HG2 VAL 120 14.151 2.289 -1.875 882 3HG2 VAL 120 3HG2 VAL 120 13.731 3.842 -1.150 883 H GLN 121 H GLN 121 16.077 1.395 0.236 884 HA GLN 121 HA GLN 121 16.153 -0.881 -1.401 885 1HB GLN 121 1HB GLN 121 18.429 0.450 0.089 886 2HB GLN 121 2HB GLN 121 18.608 -0.682 -1.245 887 1HG GLN 121 1HG GLN 121 17.373 0.914 -2.690 888 2HG GLN 121 2HG GLN 121 17.379 2.061 -1.351 889 2HE2 GLN 121 2HE2 GLN 121 18.762 1.596 -4.151 890 1HE2 GLN 121 1HE2 GLN 121 20.371 2.145 -3.846 891 H ALA 122 H ALA 122 16.279 -0.467 1.994 892 HA ALA 122 HA ALA 122 17.360 -3.119 2.502 893 1HB ALA 122 1HB ALA 122 18.090 -1.321 3.955 894 2HB ALA 122 2HB ALA 122 17.155 -2.498 4.877 895 3HB ALA 122 3HB ALA 122 16.420 -0.969 4.398 896 H TRP 123 H TRP 123 14.319 -1.508 2.194 897 HA TRP 123 HA TRP 123 12.705 -3.167 3.791 898 1HB TRP 123 1HB TRP 123 12.239 -1.332 1.500 899 2HB TRP 123 2HB TRP 123 10.967 -2.490 1.873 900 HD1 TRP 123 HD1 TRP 123 11.536 0.914 2.490 901 HE1 TRP 123 HE1 TRP 123 10.586 1.721 4.743 902 HE3 TRP 123 HE3 TRP 123 10.911 -3.582 4.806 903 HZ2 TRP 123 HZ2 TRP 123 9.700 0.565 7.151 904 HZ3 TRP 123 HZ3 TRP 123 10.010 -3.656 7.074 905 HH2 TRP 123 HH2 TRP 123 9.411 -1.599 8.235 906 H ILE 124 H ILE 124 14.384 -3.855 0.918 907 HA ILE 124 HA ILE 124 12.861 -6.359 0.606 908 HB ILE 124 HB ILE 124 13.667 -6.266 -1.827 909 1HG1 ILE 124 1HG1 ILE 124 13.458 -3.368 -1.878 910 2HG1 ILE 124 2HG1 ILE 124 14.841 -3.899 -0.925 911 1HG2 ILE 124 1HG2 ILE 124 11.508 -4.428 -0.812 912 2HG2 ILE 124 2HG2 ILE 124 11.688 -4.929 -2.494 913 3HG2 ILE 124 3HG2 ILE 124 11.341 -6.128 -1.249 914 1HD1 ILE 124 1HD1 ILE 124 15.405 -5.378 -2.938 915 2HD1 ILE 124 2HD1 ILE 124 14.268 -4.360 -3.823 916 3HD1 ILE 124 3HD1 ILE 124 15.690 -3.643 -3.068 917 H ARG 125 H ARG 125 15.460 -5.361 1.937 918 HA ARG 125 HA ARG 125 17.619 -6.657 0.640 919 1HB ARG 125 1HB ARG 125 17.427 -4.918 2.711 920 2HB ARG 125 2HB ARG 125 17.739 -6.413 3.581 921 1HG ARG 125 1HG ARG 125 19.791 -6.751 2.406 922 2HG ARG 125 2HG ARG 125 19.449 -5.400 1.323 923 1HD ARG 125 1HD ARG 125 19.821 -3.814 2.985 924 2HD ARG 125 2HD ARG 125 19.603 -4.985 4.285 925 HE ARG 125 HE ARG 125 21.808 -5.613 4.063 926 1HH1 ARG 125 1HH1 ARG 125 20.891 -3.550 1.408 927 2HH1 ARG 125 2HH1 ARG 125 22.515 -3.338 0.844 928 1HH2 ARG 125 1HH2 ARG 125 23.948 -5.339 3.326 929 2HH2 ARG 125 2HH2 ARG 125 24.253 -4.356 1.933 930 H GLY 126 H GLY 126 16.982 -8.751 0.091 931 1HA GLY 126 1HA GLY 126 16.497 -10.577 2.359 932 2HA GLY 126 2HA GLY 126 17.711 -10.949 1.146 933 H CYS 127 H CYS 127 15.151 -9.381 -0.308 934 HA CYS 127 HA CYS 127 13.365 -11.568 -0.609 935 1HB CYS 127 1HB CYS 127 13.570 -8.851 -1.629 936 2HB CYS 127 2HB CYS 127 12.629 -9.963 -2.602 937 H ARG 128 H ARG 128 12.685 -11.893 -3.129 938 HA ARG 128 HA ARG 128 15.070 -12.384 -4.734 939 1HB ARG 128 1HB ARG 128 14.518 -14.426 -3.285 940 2HB ARG 128 2HB ARG 128 13.090 -14.611 -4.294 941 1HG ARG 128 1HG ARG 128 14.901 -14.452 -6.225 942 2HG ARG 128 2HG ARG 128 15.945 -15.062 -4.938 943 1HD ARG 128 1HD ARG 128 13.351 -16.320 -5.825 944 2HD ARG 128 2HD ARG 128 14.960 -16.868 -6.295 945 HE ARG 128 HE ARG 128 14.908 -16.825 -3.526 946 1HH1 ARG 128 1HH1 ARG 128 13.250 -18.476 -6.107 947 2HH1 ARG 128 2HH1 ARG 128 12.953 -19.906 -5.176 948 1HH2 ARG 128 1HH2 ARG 128 14.524 -18.703 -2.292 949 2HH2 ARG 128 2HH2 ARG 128 13.677 -20.035 -3.007 950 H LEU 129 H LEU 129 14.560 -11.239 -6.489 951 HA LEU 129 HA LEU 129 12.156 -11.974 -7.965 952 1HB LEU 129 1HB LEU 129 11.756 -9.501 -8.431 953 2HB LEU 129 2HB LEU 129 11.270 -10.112 -6.861 954 HG LEU 129 HG LEU 129 13.992 -9.023 -6.920 955 1HD1 LEU 129 1HD1 LEU 129 12.624 -7.567 -8.527 956 2HD1 LEU 129 2HD1 LEU 129 11.749 -7.044 -7.087 957 3HD1 LEU 129 3HD1 LEU 129 13.487 -6.768 -7.213 958 1HD2 LEU 129 1HD2 LEU 129 11.840 -9.448 -5.093 959 2HD2 LEU 129 2HD2 LEU 129 13.513 -9.001 -4.755 960 3HD2 LEU 129 3HD2 LEU 129 12.308 -7.748 -5.053 No H/Q in entry = 960 Start of MODEL 42 1 H1 LYS 1 H1 LYS 1 -7.394 -9.969 1.445 2 H2 LYS 1 H2 LYS 1 -7.713 -11.453 2.192 3 H3 LYS 1 H3 LYS 1 -6.632 -10.363 2.902 4 HA LYS 1 HA LYS 1 -5.357 -12.071 1.889 5 1HB LYS 1 1HB LYS 1 -7.479 -11.852 -0.061 6 2HB LYS 1 2HB LYS 1 -5.910 -11.786 -0.853 7 1HG LYS 1 1HG LYS 1 -5.829 -13.870 1.067 8 2HG LYS 1 2HG LYS 1 -7.310 -14.047 0.122 9 1HD LYS 1 1HD LYS 1 -4.823 -13.443 -1.370 10 2HD LYS 1 2HD LYS 1 -4.959 -15.052 -0.661 11 1HE LYS 1 1HE LYS 1 -7.251 -13.947 -2.217 12 2HE LYS 1 2HE LYS 1 -5.847 -14.567 -3.084 13 1HZ LYS 1 1HZ LYS 1 -6.155 -16.626 -1.630 14 2HZ LYS 1 2HZ LYS 1 -7.702 -16.021 -1.306 15 3HZ LYS 1 3HZ LYS 1 -7.253 -16.388 -2.894 16 H VAL 2 H VAL 2 -3.750 -10.611 2.425 17 HA VAL 2 HA VAL 2 -3.239 -8.332 0.690 18 HB VAL 2 HB VAL 2 -1.909 -9.293 3.225 19 1HG1 VAL 2 1HG1 VAL 2 -0.516 -7.999 1.320 20 2HG1 VAL 2 2HG1 VAL 2 -1.234 -6.624 2.158 21 3HG1 VAL 2 3HG1 VAL 2 -0.237 -7.774 3.047 22 1HG2 VAL 2 1HG2 VAL 2 -4.143 -7.625 2.682 23 2HG2 VAL 2 2HG2 VAL 2 -3.431 -8.039 4.242 24 3HG2 VAL 2 3HG2 VAL 2 -2.857 -6.626 3.359 25 H PHE 3 H PHE 3 -1.322 -8.029 -0.499 26 HA PHE 3 HA PHE 3 -0.267 -10.291 -1.794 27 1HB PHE 3 1HB PHE 3 0.312 -7.368 -1.760 28 2HB PHE 3 2HB PHE 3 1.554 -8.434 -2.403 29 HD1 PHE 3 HD1 PHE 3 1.194 -9.668 -4.450 30 HD2 PHE 3 HD2 PHE 3 -1.774 -7.049 -2.898 31 HE1 PHE 3 HE1 PHE 3 0.046 -9.686 -6.624 32 HE2 PHE 3 HE2 PHE 3 -2.931 -7.064 -5.064 33 HZ PHE 3 HZ PHE 3 -2.021 -8.386 -6.934 34 H GLY 4 H GLY 4 2.061 -10.761 -1.911 35 1HA GLY 4 1HA GLY 4 3.713 -11.885 -0.652 36 2HA GLY 4 2HA GLY 4 3.169 -11.020 0.780 37 H ARG 5 H ARG 5 5.396 -10.513 1.233 38 HA ARG 5 HA ARG 5 6.168 -7.964 0.466 39 1HB ARG 5 1HB ARG 5 7.559 -10.248 1.782 40 2HB ARG 5 2HB ARG 5 8.542 -8.908 1.209 41 1HG ARG 5 1HG ARG 5 6.696 -7.512 2.519 42 2HG ARG 5 2HG ARG 5 6.591 -9.022 3.429 43 1HD ARG 5 1HD ARG 5 9.173 -7.570 2.884 44 2HD ARG 5 2HD ARG 5 8.211 -7.337 4.343 45 HE ARG 5 HE ARG 5 8.669 -9.618 4.937 46 1HH1 ARG 5 1HH1 ARG 5 10.512 -8.377 2.252 47 2HH1 ARG 5 2HH1 ARG 5 11.761 -9.567 2.394 48 1HH2 ARG 5 1HH2 ARG 5 10.310 -11.188 5.131 49 2HH2 ARG 5 2HH2 ARG 5 11.648 -11.164 4.030 50 H CYS 6 H CYS 6 7.878 -10.946 -0.516 51 HA CYS 6 HA CYS 6 9.057 -9.514 -2.717 52 1HB CYS 6 1HB CYS 6 9.248 -12.480 -2.514 53 2HB CYS 6 2HB CYS 6 10.446 -11.294 -3.015 54 H GLU 7 H GLU 7 6.471 -11.853 -2.247 55 HA GLU 7 HA GLU 7 6.029 -12.716 -4.824 56 1HB GLU 7 1HB GLU 7 4.232 -12.134 -2.515 57 2HB GLU 7 2HB GLU 7 3.479 -12.378 -4.086 58 1HG GLU 7 1HG GLU 7 3.446 -14.493 -3.175 59 2HG GLU 7 2HG GLU 7 4.897 -14.532 -4.174 60 H LEU 8 H LEU 8 4.854 -9.758 -3.292 61 HA LEU 8 HA LEU 8 3.710 -8.667 -5.632 62 1HB LEU 8 1HB LEU 8 2.874 -7.604 -3.786 63 2HB LEU 8 2HB LEU 8 4.403 -7.650 -2.930 64 HG LEU 8 HG LEU 8 5.215 -5.852 -4.528 65 1HD1 LEU 8 1HD1 LEU 8 2.639 -6.352 -5.667 66 2HD1 LEU 8 2HD1 LEU 8 2.742 -4.675 -5.132 67 3HD1 LEU 8 3HD1 LEU 8 3.939 -5.316 -6.255 68 1HD2 LEU 8 1HD2 LEU 8 3.088 -5.471 -2.471 69 2HD2 LEU 8 2HD2 LEU 8 4.804 -5.070 -2.402 70 3HD2 LEU 8 3HD2 LEU 8 3.707 -4.082 -3.367 71 H ALA 9 H ALA 9 6.941 -8.344 -4.104 72 HA ALA 9 HA ALA 9 7.911 -6.303 -5.745 73 1HB ALA 9 1HB ALA 9 9.028 -7.194 -3.710 74 2HB ALA 9 2HB ALA 9 9.543 -8.585 -4.665 75 3HB ALA 9 3HB ALA 9 10.102 -6.968 -5.091 76 H ALA 10 H ALA 10 8.258 -9.832 -6.199 77 HA ALA 10 HA ALA 10 9.622 -9.828 -8.587 78 1HB ALA 10 1HB ALA 10 8.040 -11.956 -8.981 79 2HB ALA 10 2HB ALA 10 9.397 -11.966 -7.855 80 3HB ALA 10 3HB ALA 10 7.758 -11.704 -7.258 81 H ALA 11 H ALA 11 6.168 -9.445 -7.963 82 HA ALA 11 HA ALA 11 5.385 -9.372 -10.669 83 1HB ALA 11 1HB ALA 11 3.943 -8.036 -8.406 84 2HB ALA 11 2HB ALA 11 3.864 -9.772 -8.708 85 3HB ALA 11 3HB ALA 11 3.257 -8.638 -9.916 86 H MET 12 H MET 12 6.357 -6.979 -8.411 87 HA MET 12 HA MET 12 5.780 -4.660 -9.881 88 1HB MET 12 1HB MET 12 8.169 -4.935 -8.074 89 2HB MET 12 2HB MET 12 7.243 -3.493 -8.412 90 1HG MET 12 1HG MET 12 5.287 -4.838 -7.335 91 2HG MET 12 2HG MET 12 6.601 -5.765 -6.615 92 1HE MET 12 1HE MET 12 5.426 -2.359 -7.516 93 2HE MET 12 2HE MET 12 5.589 -1.376 -6.061 94 3HE MET 12 3HE MET 12 6.981 -1.632 -7.113 95 H LYS 13 H LYS 13 8.790 -6.538 -9.652 96 HA LYS 13 HA LYS 13 10.365 -5.043 -11.370 97 1HB LYS 13 1HB LYS 13 10.781 -7.288 -9.953 98 2HB LYS 13 2HB LYS 13 10.600 -8.000 -11.551 99 1HG LYS 13 1HG LYS 13 12.338 -5.755 -11.751 100 2HG LYS 13 2HG LYS 13 12.879 -6.781 -10.421 101 1HD LYS 13 1HD LYS 13 13.856 -8.068 -11.959 102 2HD LYS 13 2HD LYS 13 12.233 -8.566 -12.445 103 1HE LYS 13 1HE LYS 13 12.550 -7.626 -14.430 104 2HE LYS 13 2HE LYS 13 12.745 -6.058 -13.647 105 1HZ LYS 13 1HZ LYS 13 14.920 -8.028 -14.117 106 2HZ LYS 13 2HZ LYS 13 14.655 -6.624 -15.022 107 3HZ LYS 13 3HZ LYS 13 15.100 -6.508 -13.395 108 H ARG 14 H ARG 14 8.060 -7.618 -12.069 109 HA ARG 14 HA ARG 14 8.527 -7.684 -14.862 110 1HB ARG 14 1HB ARG 14 6.682 -8.909 -12.963 111 2HB ARG 14 2HB ARG 14 5.907 -8.525 -14.494 112 1HG ARG 14 1HG ARG 14 8.438 -9.735 -15.010 113 2HG ARG 14 2HG ARG 14 7.533 -10.733 -13.870 114 1HD ARG 14 1HD ARG 14 5.690 -10.908 -15.363 115 2HD ARG 14 2HD ARG 14 6.355 -9.671 -16.428 116 HE ARG 14 HE ARG 14 7.785 -11.244 -17.337 117 1HH1 ARG 14 1HH1 ARG 14 6.113 -12.574 -14.584 118 2HH1 ARG 14 2HH1 ARG 14 6.594 -14.203 -14.917 119 1HH2 ARG 14 1HH2 ARG 14 8.423 -13.387 -17.783 120 2HH2 ARG 14 2HH2 ARG 14 7.908 -14.665 -16.735 121 H HIS 15 H HIS 15 6.251 -5.927 -12.783 122 HA HIS 15 HA HIS 15 4.828 -4.768 -14.947 123 1HB HIS 15 1HB HIS 15 4.929 -4.249 -11.985 124 2HB HIS 15 2HB HIS 15 3.938 -3.276 -13.068 125 HD1 HIS 15 HD1 HIS 15 2.092 -4.389 -11.330 126 HD2 HIS 15 HD2 HIS 15 3.735 -6.843 -14.253 127 HE1 HIS 15 HE1 HIS 15 0.519 -6.337 -11.532 128 HE2 HIS 15 HE2 HIS 15 1.486 -7.766 -13.369 129 H GLY 16 H GLY 16 7.944 -4.102 -13.792 130 1HA GLY 16 1HA GLY 16 7.989 -1.703 -15.326 131 2HA GLY 16 2HA GLY 16 9.343 -2.474 -14.533 132 H LEU 17 H LEU 17 7.752 -2.301 -11.839 133 HA LEU 17 HA LEU 17 7.608 0.542 -11.502 134 1HB LEU 17 1HB LEU 17 7.681 -1.406 -9.231 135 2HB LEU 17 2HB LEU 17 6.912 0.165 -9.291 136 HG LEU 17 HG LEU 17 5.879 -2.466 -10.033 137 1HD1 LEU 17 1HD1 LEU 17 5.134 -0.332 -8.448 138 2HD1 LEU 17 2HD1 LEU 17 4.005 -0.263 -9.801 139 3HD1 LEU 17 3HD1 LEU 17 4.144 -1.737 -8.843 140 1HD2 LEU 17 1HD2 LEU 17 5.545 -0.138 -11.900 141 2HD2 LEU 17 2HD2 LEU 17 5.918 -1.819 -12.282 142 3HD2 LEU 17 3HD2 LEU 17 4.299 -1.377 -11.741 143 H ASP 18 H ASP 18 10.048 -1.655 -11.551 144 HA ASP 18 HA ASP 18 11.787 -0.436 -9.614 145 1HB ASP 18 1HB ASP 18 12.277 -2.704 -10.005 146 2HB ASP 18 2HB ASP 18 12.174 -2.520 -11.751 147 H ASN 19 H ASN 19 11.863 1.717 -10.120 148 HA ASN 19 HA ASN 19 13.005 3.532 -10.954 149 1HB ASN 19 1HB ASN 19 14.512 1.560 -12.093 150 2HB ASN 19 2HB ASN 19 13.833 2.336 -13.520 151 2HD2 ASN 19 2HD2 ASN 19 13.901 4.827 -13.336 152 1HD2 ASN 19 1HD2 ASN 19 15.420 5.483 -12.838 153 H TYR 20 H TYR 20 10.325 2.928 -11.259 154 HA TYR 20 HA TYR 20 9.577 3.625 -13.991 155 1HB TYR 20 1HB TYR 20 8.336 1.897 -12.603 156 2HB TYR 20 2HB TYR 20 7.690 3.245 -11.671 157 HD1 TYR 20 HD1 TYR 20 7.728 1.624 -14.979 158 HD2 TYR 20 HD2 TYR 20 5.978 4.663 -12.571 159 HE1 TYR 20 HE1 TYR 20 5.952 1.919 -16.653 160 HE2 TYR 20 HE2 TYR 20 4.197 4.965 -14.238 161 HH TYR 20 HH TYR 20 4.013 4.518 -16.839 162 H ARG 21 H ARG 21 9.221 5.632 -14.645 163 HA ARG 21 HA ARG 21 8.914 7.893 -14.623 164 1HB ARG 21 1HB ARG 21 7.040 6.848 -12.700 165 2HB ARG 21 2HB ARG 21 7.659 8.394 -12.136 166 1HG ARG 21 1HG ARG 21 6.533 7.971 -14.891 167 2HG ARG 21 2HG ARG 21 5.571 8.505 -13.512 168 1HD ARG 21 1HD ARG 21 6.493 10.576 -13.499 169 2HD ARG 21 2HD ARG 21 8.070 9.994 -14.032 170 HE ARG 21 HE ARG 21 6.863 9.730 -16.283 171 1HH1 ARG 21 1HH1 ARG 21 6.196 12.222 -13.940 172 2HH1 ARG 21 2HH1 ARG 21 5.658 13.369 -15.122 173 1HH2 ARG 21 1HH2 ARG 21 6.158 11.234 -17.846 174 2HH2 ARG 21 2HH2 ARG 21 5.637 12.807 -17.342 175 H GLY 22 H GLY 22 11.027 6.375 -13.171 176 1HA GLY 22 1HA GLY 22 12.258 8.692 -11.884 177 2HA GLY 22 2HA GLY 22 13.097 7.260 -12.450 178 H TYR 23 H TYR 23 10.543 5.966 -10.811 179 HA TYR 23 HA TYR 23 11.968 6.180 -8.261 180 1HB TYR 23 1HB TYR 23 9.087 5.828 -8.916 181 2HB TYR 23 2HB TYR 23 9.701 5.187 -7.393 182 HD1 TYR 23 HD1 TYR 23 11.349 6.960 -6.156 183 HD2 TYR 23 HD2 TYR 23 8.169 7.941 -8.806 184 HE1 TYR 23 HE1 TYR 23 11.214 9.201 -5.154 185 HE2 TYR 23 HE2 TYR 23 8.025 10.184 -7.810 186 HH TYR 23 HH TYR 23 9.882 11.058 -4.969 187 H SER 24 H SER 24 12.991 4.537 -7.446 188 HA SER 24 HA SER 24 13.082 2.054 -8.851 189 1HB SER 24 1HB SER 24 14.797 1.429 -7.268 190 2HB SER 24 2HB SER 24 15.065 3.105 -7.747 191 HG SER 24 HG SER 24 15.236 3.018 -5.541 192 H LEU 25 H LEU 25 12.818 -0.014 -7.818 193 HA LEU 25 HA LEU 25 10.336 -0.642 -7.005 194 1HB LEU 25 1HB LEU 25 12.959 -1.893 -6.836 195 2HB LEU 25 2HB LEU 25 11.854 -2.463 -5.599 196 HG LEU 25 HG LEU 25 11.030 -2.395 -8.477 197 1HD1 LEU 25 1HD1 LEU 25 12.701 -4.460 -7.076 198 2HD1 LEU 25 2HD1 LEU 25 11.701 -4.847 -8.476 199 3HD1 LEU 25 3HD1 LEU 25 13.002 -3.666 -8.622 200 1HD2 LEU 25 1HD2 LEU 25 9.991 -3.430 -5.943 201 2HD2 LEU 25 2HD2 LEU 25 9.142 -2.996 -7.427 202 3HD2 LEU 25 3HD2 LEU 25 9.916 -4.575 -7.284 203 H GLY 26 H GLY 26 13.030 -0.154 -4.707 204 1HA GLY 26 1HA GLY 26 13.021 0.665 -2.559 205 2HA GLY 26 2HA GLY 26 11.812 -0.583 -2.330 206 H ASN 27 H ASN 27 11.488 2.402 -4.222 207 HA ASN 27 HA ASN 27 10.096 3.843 -2.223 208 1HB ASN 27 1HB ASN 27 10.024 4.219 -5.221 209 2HB ASN 27 2HB ASN 27 9.501 5.397 -4.022 210 2HD2 ASN 27 2HD2 ASN 27 12.088 4.188 -5.824 211 1HD2 ASN 27 1HD2 ASN 27 13.351 5.115 -5.093 212 H TRP 28 H TRP 28 9.061 1.649 -4.732 213 HA TRP 28 HA TRP 28 6.272 2.227 -4.484 214 1HB TRP 28 1HB TRP 28 7.638 -0.123 -5.776 215 2HB TRP 28 2HB TRP 28 5.958 0.367 -6.005 216 HD1 TRP 28 HD1 TRP 28 9.466 1.164 -7.114 217 HE1 TRP 28 HE1 TRP 28 9.402 2.995 -8.906 218 HE3 TRP 28 HE3 TRP 28 4.542 2.422 -6.783 219 HZ2 TRP 28 HZ2 TRP 28 7.532 4.767 -10.051 220 HZ3 TRP 28 HZ3 TRP 28 3.653 4.177 -8.249 221 HH2 TRP 28 HH2 TRP 28 5.121 5.334 -9.861 222 H VAL 29 H VAL 29 8.462 -0.182 -3.090 223 HA VAL 29 HA VAL 29 6.382 -1.770 -1.996 224 HB VAL 29 HB VAL 29 9.304 -1.562 -1.265 225 1HG1 VAL 29 1HG1 VAL 29 7.187 -2.823 0.143 226 2HG1 VAL 29 2HG1 VAL 29 8.204 -4.079 -0.564 227 3HG1 VAL 29 3HG1 VAL 29 8.916 -2.857 0.491 228 1HG2 VAL 29 1HG2 VAL 29 8.148 -2.569 -3.549 229 2HG2 VAL 29 2HG2 VAL 29 9.747 -2.981 -2.930 230 3HG2 VAL 29 3HG2 VAL 29 8.362 -4.001 -2.543 231 H CYS 30 H CYS 30 8.574 0.662 -0.611 232 HA CYS 30 HA CYS 30 7.556 0.568 1.990 233 1HB CYS 30 1HB CYS 30 9.688 1.697 1.205 234 2HB CYS 30 2HB CYS 30 8.679 3.038 0.670 235 H ALA 31 H ALA 31 6.657 2.667 -0.754 236 HA ALA 31 HA ALA 31 4.773 4.219 0.615 237 1HB ALA 31 1HB ALA 31 5.183 3.539 -2.273 238 2HB ALA 31 2HB ALA 31 5.448 5.071 -1.440 239 3HB ALA 31 3HB ALA 31 3.806 4.512 -1.756 240 H ALA 32 H ALA 32 4.382 1.243 -1.280 241 HA ALA 32 HA ALA 32 1.572 1.088 -0.979 242 1HB ALA 32 1HB ALA 32 2.621 -0.091 -2.772 243 2HB ALA 32 2HB ALA 32 1.876 -1.281 -1.703 244 3HB ALA 32 3HB ALA 32 3.620 -1.016 -1.652 245 H LYS 33 H LYS 33 4.257 -0.386 0.827 246 HA LYS 33 HA LYS 33 2.891 -2.105 2.465 247 1HB LYS 33 1HB LYS 33 5.414 -1.638 2.291 248 2HB LYS 33 2HB LYS 33 5.134 -0.394 3.500 249 1HG LYS 33 1HG LYS 33 4.275 -2.065 5.046 250 2HG LYS 33 2HG LYS 33 4.510 -3.321 3.828 251 1HD LYS 33 1HD LYS 33 6.846 -3.153 3.945 252 2HD LYS 33 2HD LYS 33 6.779 -1.588 4.757 253 1HE LYS 33 1HE LYS 33 7.189 -2.834 6.594 254 2HE LYS 33 2HE LYS 33 5.446 -3.094 6.542 255 1HZ LYS 33 1HZ LYS 33 7.194 -4.915 5.043 256 2HZ LYS 33 2HZ LYS 33 7.080 -5.097 6.721 257 3HZ LYS 33 3HZ LYS 33 5.692 -5.215 5.761 258 H PHE 34 H PHE 34 3.686 1.285 3.260 259 HA PHE 34 HA PHE 34 2.051 1.201 5.575 260 1HB PHE 34 1HB PHE 34 3.733 3.183 4.283 261 2HB PHE 34 2HB PHE 34 2.457 3.824 5.298 262 HD1 PHE 34 HD1 PHE 34 2.380 3.144 7.703 263 HD2 PHE 34 HD2 PHE 34 5.686 2.236 5.183 264 HE1 PHE 34 HE1 PHE 34 3.775 2.732 9.687 265 HE2 PHE 34 HE2 PHE 34 7.087 1.821 7.162 266 HZ PHE 34 HZ PHE 34 6.131 2.069 9.419 267 H GLU 35 H GLU 35 1.524 2.164 2.286 268 HA GLU 35 HA GLU 35 -0.733 3.775 2.668 269 1HB GLU 35 1HB GLU 35 0.613 2.402 0.459 270 2HB GLU 35 2HB GLU 35 -1.123 2.554 0.232 271 1HG GLU 35 1HG GLU 35 -1.048 4.873 0.223 272 2HG GLU 35 2HG GLU 35 0.524 4.920 1.019 273 H SER 36 H SER 36 -0.531 0.352 1.728 274 HA SER 36 HA SER 36 -3.217 -0.049 2.881 275 1HB SER 36 1HB SER 36 -3.756 -1.513 0.956 276 2HB SER 36 2HB SER 36 -3.422 0.144 0.453 277 HG SER 36 HG SER 36 -1.124 -1.134 0.439 278 H ASN 37 H ASN 37 -0.072 -0.985 3.110 279 HA ASN 37 HA ASN 37 0.989 -2.786 4.028 280 1HB ASN 37 1HB ASN 37 -1.418 -2.551 5.421 281 2HB ASN 37 2HB ASN 37 -1.346 -4.251 4.970 282 2HD2 ASN 37 2HD2 ASN 37 -0.890 -2.513 7.495 283 1HD2 ASN 37 1HD2 ASN 37 0.536 -3.206 8.180 284 H PHE 38 H PHE 38 -0.104 -2.805 1.346 285 HA PHE 38 HA PHE 38 -0.161 -4.075 -0.477 286 1HB PHE 38 1HB PHE 38 0.761 -6.359 1.277 287 2HB PHE 38 2HB PHE 38 0.894 -6.239 -0.474 288 HD1 PHE 38 HD1 PHE 38 1.856 -3.552 -0.905 289 HD2 PHE 38 HD2 PHE 38 2.922 -6.348 2.120 290 HE1 PHE 38 HE1 PHE 38 4.045 -2.459 -0.679 291 HE2 PHE 38 HE2 PHE 38 5.117 -5.259 2.351 292 HZ PHE 38 HZ PHE 38 5.683 -3.317 0.950 293 H ASN 39 H ASN 39 -2.461 -3.880 1.424 294 HA ASN 39 HA ASN 39 -3.862 -6.380 1.063 295 1HB ASN 39 1HB ASN 39 -4.220 -4.935 3.070 296 2HB ASN 39 2HB ASN 39 -4.946 -3.725 2.020 297 2HD2 ASN 39 2HD2 ASN 39 -5.312 -7.195 1.692 298 1HD2 ASN 39 1HD2 ASN 39 -7.001 -7.241 2.055 299 H THR 40 H THR 40 -4.665 -6.900 -0.813 300 HA THR 40 HA THR 40 -4.861 -5.185 -3.011 301 HB THR 40 HB THR 40 -5.473 -7.027 -4.223 302 HG1 THR 40 HG1 THR 40 -6.959 -8.580 -3.474 303 1HG2 THR 40 1HG2 THR 40 -3.814 -7.620 -2.047 304 2HG2 THR 40 2HG2 THR 40 -4.918 -8.986 -2.203 305 3HG2 THR 40 3HG2 THR 40 -3.931 -8.488 -3.577 306 H GLN 41 H GLN 41 -6.938 -5.769 -0.397 307 HA GLN 41 HA GLN 41 -9.203 -4.539 -1.789 308 1HB GLN 41 1HB GLN 41 -8.884 -6.660 0.231 309 2HB GLN 41 2HB GLN 41 -10.243 -5.592 0.456 310 1HG GLN 41 1HG GLN 41 -11.383 -6.491 -1.249 311 2HG GLN 41 2HG GLN 41 -9.954 -6.554 -2.280 312 2HE2 GLN 41 2HE2 GLN 41 -8.978 -8.450 -2.591 313 1HE2 GLN 41 1HE2 GLN 41 -9.372 -9.919 -1.771 314 H ALA 42 H ALA 42 -6.760 -3.599 0.162 315 HA ALA 42 HA ALA 42 -7.981 -2.332 2.332 316 1HB ALA 42 1HB ALA 42 -5.375 -2.342 1.091 317 2HB ALA 42 2HB ALA 42 -5.823 -2.151 2.787 318 3HB ALA 42 3HB ALA 42 -5.800 -0.748 1.717 319 H THR 43 H THR 43 -9.206 -0.629 2.537 320 HA THR 43 HA THR 43 -9.240 1.422 0.419 321 HB THR 43 HB THR 43 -11.536 1.570 0.447 322 HG1 THR 43 HG1 THR 43 -11.722 0.252 2.957 323 1HG2 THR 43 1HG2 THR 43 -10.592 -0.939 0.120 324 2HG2 THR 43 2HG2 THR 43 -11.740 -1.205 1.430 325 3HG2 THR 43 3HG2 THR 43 -12.286 -0.497 -0.089 326 H ASN 44 H ASN 44 -8.931 3.511 1.151 327 HA ASN 44 HA ASN 44 -9.241 4.000 4.033 328 1HB ASN 44 1HB ASN 44 -6.807 3.562 3.223 329 2HB ASN 44 2HB ASN 44 -6.920 5.179 2.536 330 2HD2 ASN 44 2HD2 ASN 44 -5.723 6.414 3.808 331 1HD2 ASN 44 1HD2 ASN 44 -5.864 6.524 5.526 332 H ARG 45 H ARG 45 -10.759 5.510 4.203 333 HA ARG 45 HA ARG 45 -11.255 7.414 2.100 334 1HB ARG 45 1HB ARG 45 -12.503 7.514 4.831 335 2HB ARG 45 2HB ARG 45 -13.182 8.028 3.293 336 1HG ARG 45 1HG ARG 45 -12.967 5.481 2.705 337 2HG ARG 45 2HG ARG 45 -12.976 5.300 4.460 338 1HD ARG 45 1HD ARG 45 -15.227 5.120 3.823 339 2HD ARG 45 2HD ARG 45 -15.059 6.764 4.437 340 HE ARG 45 HE ARG 45 -14.772 6.407 1.565 341 1HH1 ARG 45 1HH1 ARG 45 -16.814 7.305 4.241 342 2HH1 ARG 45 2HH1 ARG 45 -17.936 8.185 3.257 343 1HH2 ARG 45 1HH2 ARG 45 -16.243 7.562 0.262 344 2HH2 ARG 45 2HH2 ARG 45 -17.612 8.330 0.996 345 H ASN 46 H ASN 46 -10.382 9.362 1.905 346 HA ASN 46 HA ASN 46 -8.685 10.411 4.008 347 1HB ASN 46 1HB ASN 46 -9.276 11.742 1.371 348 2HB ASN 46 2HB ASN 46 -7.853 11.926 2.392 349 2HD2 ASN 46 2HD2 ASN 46 -6.266 10.343 2.372 350 1HD2 ASN 46 1HD2 ASN 46 -6.172 9.147 1.129 351 H THR 47 H THR 47 -8.802 12.974 4.074 352 HA THR 47 HA THR 47 -11.528 13.579 4.978 353 HB THR 47 HB THR 47 -10.466 15.472 6.211 354 HG1 THR 47 HG1 THR 47 -8.027 14.998 6.396 355 1HG2 THR 47 1HG2 THR 47 -10.389 12.711 6.786 356 2HG2 THR 47 2HG2 THR 47 -8.853 13.387 7.331 357 3HG2 THR 47 3HG2 THR 47 -10.373 14.054 7.927 358 H ASP 48 H ASP 48 -10.144 13.860 2.172 359 HA ASP 48 HA ASP 48 -10.866 16.678 1.730 360 1HB ASP 48 1HB ASP 48 -9.447 16.685 -0.182 361 2HB ASP 48 2HB ASP 48 -8.542 15.904 1.111 362 H GLY 49 H GLY 49 -12.179 13.706 1.518 363 1HA GLY 49 1HA GLY 49 -14.052 14.581 -0.567 364 2HA GLY 49 2HA GLY 49 -14.364 13.344 0.642 365 H SER 50 H SER 50 -12.300 11.650 0.395 366 HA SER 50 HA SER 50 -12.934 10.286 -2.047 367 1HB SER 50 1HB SER 50 -10.301 10.146 -2.505 368 2HB SER 50 2HB SER 50 -11.316 11.396 -3.225 369 HG SER 50 HG SER 50 -9.453 11.578 -1.152 370 H THR 51 H THR 51 -11.136 8.391 -2.255 371 HA THR 51 HA THR 51 -10.526 7.318 0.395 372 HB THR 51 HB THR 51 -11.898 5.481 -1.520 373 HG1 THR 51 HG1 THR 51 -13.465 6.783 0.398 374 1HG2 THR 51 1HG2 THR 51 -10.837 4.581 0.497 375 2HG2 THR 51 2HG2 THR 51 -11.825 5.650 1.494 376 3HG2 THR 51 3HG2 THR 51 -12.588 4.373 0.547 377 H ASP 52 H ASP 52 -9.399 5.119 0.139 378 HA ASP 52 HA ASP 52 -7.616 5.181 -2.210 379 1HB ASP 52 1HB ASP 52 -6.880 4.444 0.629 380 2HB ASP 52 2HB ASP 52 -5.794 4.434 -0.756 381 H TYR 53 H TYR 53 -8.926 3.667 -3.268 382 HA TYR 53 HA TYR 53 -9.134 1.033 -2.017 383 1HB TYR 53 1HB TYR 53 -10.252 1.920 -4.682 384 2HB TYR 53 2HB TYR 53 -10.643 0.450 -3.802 385 HD1 TYR 53 HD1 TYR 53 -11.779 0.741 -1.501 386 HD2 TYR 53 HD2 TYR 53 -11.572 3.814 -4.430 387 HE1 TYR 53 HE1 TYR 53 -13.692 1.866 -0.444 388 HE2 TYR 53 HE2 TYR 53 -13.488 4.948 -3.387 389 HH TYR 53 HH TYR 53 -14.469 4.865 -0.764 390 H GLY 54 H GLY 54 -6.790 0.557 -2.198 391 1HA GLY 54 1HA GLY 54 -5.601 0.507 -4.792 392 2HA GLY 54 2HA GLY 54 -6.157 -1.088 -4.307 393 H ILE 55 H ILE 55 -3.846 -1.653 -4.454 394 HA ILE 55 HA ILE 55 -2.633 -1.648 -1.883 395 HB ILE 55 HB ILE 55 -2.259 -3.442 -3.608 396 1HG1 ILE 55 1HG1 ILE 55 0.342 -2.163 -2.759 397 2HG1 ILE 55 2HG1 ILE 55 -0.733 -2.973 -1.623 398 1HG2 ILE 55 1HG2 ILE 55 -0.734 -1.225 -4.937 399 2HG2 ILE 55 2HG2 ILE 55 -0.401 -2.926 -5.263 400 3HG2 ILE 55 3HG2 ILE 55 -1.995 -2.257 -5.614 401 1HD1 ILE 55 1HD1 ILE 55 -0.521 -4.923 -3.401 402 2HD1 ILE 55 2HD1 ILE 55 1.006 -4.103 -3.730 403 3HD1 ILE 55 3HD1 ILE 55 0.654 -4.694 -2.106 404 H LEU 56 H LEU 56 -2.465 0.329 -4.715 405 HA LEU 56 HA LEU 56 -0.332 1.961 -3.528 406 1HB LEU 56 1HB LEU 56 -0.875 1.173 -6.230 407 2HB LEU 56 2HB LEU 56 -1.051 2.912 -6.122 408 HG LEU 56 HG LEU 56 1.190 2.743 -6.696 409 1HD1 LEU 56 1HD1 LEU 56 0.944 3.954 -4.536 410 2HD1 LEU 56 2HD1 LEU 56 1.374 2.462 -3.698 411 3HD1 LEU 56 3HD1 LEU 56 2.535 3.233 -4.779 412 1HD2 LEU 56 1HD2 LEU 56 1.078 0.213 -6.528 413 2HD2 LEU 56 2HD2 LEU 56 2.634 0.959 -6.164 414 3HD2 LEU 56 3HD2 LEU 56 1.597 0.397 -4.853 415 H GLN 57 H GLN 57 -3.476 1.689 -3.233 416 HA GLN 57 HA GLN 57 -5.118 3.042 -2.496 417 1HB GLN 57 1HB GLN 57 -2.991 5.178 -2.672 418 2HB GLN 57 2HB GLN 57 -4.589 5.426 -1.981 419 1HG GLN 57 1HG GLN 57 -3.931 3.383 -0.491 420 2HG GLN 57 2HG GLN 57 -2.290 3.855 -0.931 421 2HE2 GLN 57 2HE2 GLN 57 -4.189 4.026 1.534 422 1HE2 GLN 57 1HE2 GLN 57 -3.884 5.617 2.132 423 H ILE 58 H ILE 58 -6.104 2.514 -4.648 424 HA ILE 58 HA ILE 58 -5.899 4.638 -6.607 425 HB ILE 58 HB ILE 58 -7.325 1.984 -6.612 426 1HG1 ILE 58 1HG1 ILE 58 -5.783 1.682 -8.622 427 2HG1 ILE 58 2HG1 ILE 58 -4.977 3.159 -8.105 428 1HG2 ILE 58 1HG2 ILE 58 -7.382 4.109 -8.753 429 2HG2 ILE 58 2HG2 ILE 58 -8.011 2.470 -8.916 430 3HG2 ILE 58 3HG2 ILE 58 -8.747 3.587 -7.768 431 1HD1 ILE 58 1HD1 ILE 58 -4.921 1.765 -5.809 432 2HD1 ILE 58 2HD1 ILE 58 -4.871 0.448 -6.980 433 3HD1 ILE 58 3HD1 ILE 58 -3.645 1.715 -7.026 434 H ASN 59 H ASN 59 -6.893 6.398 -5.811 435 HA ASN 59 HA ASN 59 -9.313 6.427 -4.389 436 1HB ASN 59 1HB ASN 59 -7.773 8.337 -4.406 437 2HB ASN 59 2HB ASN 59 -8.066 8.573 -6.128 438 2HD2 ASN 59 2HD2 ASN 59 -10.709 7.613 -4.141 439 1HD2 ASN 59 1HD2 ASN 59 -11.508 9.144 -4.091 440 H SER 60 H SER 60 -11.059 5.383 -5.265 441 HA SER 60 HA SER 60 -11.592 5.303 -8.041 442 1HB SER 60 1HB SER 60 -13.391 3.968 -7.489 443 2HB SER 60 2HB SER 60 -12.401 3.774 -6.043 444 HG SER 60 HG SER 60 -14.682 5.403 -6.407 445 H ARG 61 H ARG 61 -12.245 7.689 -5.637 446 HA ARG 61 HA ARG 61 -14.462 8.849 -7.116 447 1HB ARG 61 1HB ARG 61 -14.024 8.804 -4.501 448 2HB ARG 61 2HB ARG 61 -13.122 10.270 -4.858 449 1HG ARG 61 1HG ARG 61 -15.012 11.422 -5.543 450 2HG ARG 61 2HG ARG 61 -15.926 9.942 -5.841 451 1HD ARG 61 1HD ARG 61 -16.412 9.634 -3.614 452 2HD ARG 61 2HD ARG 61 -15.000 10.538 -3.071 453 HE ARG 61 HE ARG 61 -16.750 12.288 -4.395 454 1HH1 ARG 61 1HH1 ARG 61 -16.543 10.420 -1.460 455 2HH1 ARG 61 2HH1 ARG 61 -17.550 11.497 -0.552 456 1HH2 ARG 61 1HH2 ARG 61 -18.076 13.711 -3.207 457 2HH2 ARG 61 2HH2 ARG 61 -18.422 13.368 -1.544 458 H TRP 62 H TRP 62 -11.652 8.626 -8.138 459 HA TRP 62 HA TRP 62 -11.558 11.210 -9.376 460 1HB TRP 62 1HB TRP 62 -10.180 11.029 -6.994 461 2HB TRP 62 2HB TRP 62 -8.927 10.755 -8.200 462 HD1 TRP 62 HD1 TRP 62 -11.687 13.374 -7.433 463 HE1 TRP 62 HE1 TRP 62 -10.826 15.675 -8.197 464 HE3 TRP 62 HE3 TRP 62 -7.235 11.933 -9.493 465 HZ2 TRP 62 HZ2 TRP 62 -8.559 16.740 -9.499 466 HZ3 TRP 62 HZ3 TRP 62 -5.779 13.655 -10.477 467 HH2 TRP 62 HH2 TRP 62 -6.429 16.009 -10.480 468 H TRP 63 H TRP 63 -10.899 7.930 -9.444 469 HA TRP 63 HA TRP 63 -9.257 8.296 -11.850 470 1HB TRP 63 1HB TRP 63 -8.819 6.291 -9.631 471 2HB TRP 63 2HB TRP 63 -8.039 6.185 -11.208 472 HD1 TRP 63 HD1 TRP 63 -7.032 7.140 -7.961 473 HE1 TRP 63 HE1 TRP 63 -5.269 9.022 -7.969 474 HE3 TRP 63 HE3 TRP 63 -7.681 8.807 -12.719 475 HZ2 TRP 63 HZ2 TRP 63 -4.296 10.977 -9.784 476 HZ3 TRP 63 HZ3 TRP 63 -6.346 10.679 -13.527 477 HH2 TRP 63 HH2 TRP 63 -4.665 11.750 -12.093 478 H CYS 64 H CYS 64 -10.748 5.583 -10.127 479 HA CYS 64 HA CYS 64 -11.718 4.588 -12.701 480 1HB CYS 64 1HB CYS 64 -11.899 2.452 -11.723 481 2HB CYS 64 2HB CYS 64 -10.432 3.134 -11.032 482 H ASN 65 H ASN 65 -13.814 3.539 -12.810 483 HA ASN 65 HA ASN 65 -15.843 5.203 -11.480 484 1HB ASN 65 1HB ASN 65 -15.637 5.014 -14.056 485 2HB ASN 65 2HB ASN 65 -16.363 3.423 -13.850 486 2HD2 ASN 65 2HD2 ASN 65 -18.184 4.048 -15.016 487 1HD2 ASN 65 1HD2 ASN 65 -19.389 5.088 -14.340 488 H ASP 66 H ASP 66 -16.667 4.281 -9.726 489 HA ASP 66 HA ASP 66 -16.899 1.371 -9.590 490 1HB ASP 66 1HB ASP 66 -17.169 1.623 -7.227 491 2HB ASP 66 2HB ASP 66 -15.845 2.674 -7.718 492 H GLY 67 H GLY 67 -18.847 4.219 -9.908 493 1HA GLY 67 1HA GLY 67 -21.165 2.653 -10.502 494 2HA GLY 67 2HA GLY 67 -21.077 4.405 -10.459 495 H ARG 68 H ARG 68 -20.011 2.758 -7.632 496 HA ARG 68 HA ARG 68 -22.626 2.925 -6.358 497 1HB ARG 68 1HB ARG 68 -20.439 1.207 -6.077 498 2HB ARG 68 2HB ARG 68 -20.452 2.164 -4.601 499 1HG ARG 68 1HG ARG 68 -21.987 0.772 -3.819 500 2HG ARG 68 2HG ARG 68 -23.109 1.449 -5.002 501 1HD ARG 68 1HD ARG 68 -22.307 -0.232 -6.643 502 2HD ARG 68 2HD ARG 68 -21.314 -0.947 -5.373 503 HE ARG 68 HE ARG 68 -23.455 -1.377 -4.181 504 1HH1 ARG 68 1HH1 ARG 68 -23.427 -0.946 -7.638 505 2HH1 ARG 68 2HH1 ARG 68 -24.874 -1.863 -7.895 506 1HH2 ARG 68 1HH2 ARG 68 -25.360 -2.587 -4.508 507 2HH2 ARG 68 2HH2 ARG 68 -25.972 -2.796 -6.115 508 H THR 69 H THR 69 -19.973 4.903 -6.821 509 HA THR 69 HA THR 69 -20.817 6.624 -4.599 510 HB THR 69 HB THR 69 -17.907 6.275 -5.317 511 HG1 THR 69 HG1 THR 69 -17.746 4.894 -3.576 512 1HG2 THR 69 1HG2 THR 69 -19.437 7.983 -3.498 513 2HG2 THR 69 2HG2 THR 69 -18.081 7.158 -2.730 514 3HG2 THR 69 3HG2 THR 69 -17.807 8.184 -4.138 515 HA PRO 70 HA PRO 70 -20.964 8.931 -8.618 516 1HB PRO 70 1HB PRO 70 -22.724 10.570 -6.867 517 2HB PRO 70 2HB PRO 70 -22.986 10.015 -8.524 518 1HG PRO 70 1HG PRO 70 -24.273 8.877 -6.490 519 2HG PRO 70 2HG PRO 70 -23.677 7.906 -7.850 520 1HD PRO 70 1HD PRO 70 -22.557 8.205 -5.095 521 2HD PRO 70 2HD PRO 70 -22.633 6.767 -6.133 522 H GLY 71 H GLY 71 -19.398 10.344 -9.051 523 1HA GLY 71 1HA GLY 71 -18.435 12.077 -6.869 524 2HA GLY 71 2HA GLY 71 -18.787 12.754 -8.452 525 H SER 72 H SER 72 -17.690 9.878 -9.301 526 HA SER 72 HA SER 72 -14.913 9.991 -8.765 527 1HB SER 72 1HB SER 72 -14.738 8.286 -10.574 528 2HB SER 72 2HB SER 72 -15.972 7.892 -9.378 529 HG SER 72 HG SER 72 -17.062 7.628 -11.202 530 H ARG 73 H ARG 73 -14.446 9.441 -11.819 531 HA ARG 73 HA ARG 73 -14.726 11.947 -13.109 532 1HB ARG 73 1HB ARG 73 -12.542 11.752 -11.322 533 2HB ARG 73 2HB ARG 73 -11.871 11.616 -12.942 534 1HG ARG 73 1HG ARG 73 -13.833 13.782 -12.412 535 2HG ARG 73 2HG ARG 73 -12.196 13.949 -11.773 536 1HD ARG 73 1HD ARG 73 -11.270 13.666 -13.996 537 2HD ARG 73 2HD ARG 73 -12.881 13.392 -14.656 538 HE ARG 73 HE ARG 73 -11.678 15.918 -14.015 539 1HH1 ARG 73 1HH1 ARG 73 -14.691 14.210 -14.399 540 2HH1 ARG 73 2HH1 ARG 73 -15.605 15.639 -14.747 541 1HH2 ARG 73 1HH2 ARG 73 -12.873 17.805 -14.472 542 2HH2 ARG 73 2HH2 ARG 73 -14.572 17.682 -14.789 543 H ASN 74 H ASN 74 -13.118 8.864 -12.803 544 HA ASN 74 HA ASN 74 -12.632 7.204 -14.279 545 1HB ASN 74 1HB ASN 74 -14.970 8.087 -15.184 546 2HB ASN 74 2HB ASN 74 -13.985 8.631 -16.537 547 2HD2 ASN 74 2HD2 ASN 74 -14.637 7.239 -18.070 548 1HD2 ASN 74 1HD2 ASN 74 -14.445 5.526 -17.982 549 H LEU 75 H LEU 75 -10.989 9.589 -13.947 550 HA LEU 75 HA LEU 75 -9.799 10.538 -16.273 551 1HB LEU 75 1HB LEU 75 -9.132 10.167 -13.422 552 2HB LEU 75 2HB LEU 75 -7.780 10.434 -14.495 553 HG LEU 75 HG LEU 75 -10.179 12.245 -14.105 554 1HD1 LEU 75 1HD1 LEU 75 -8.252 12.019 -12.333 555 2HD1 LEU 75 2HD1 LEU 75 -7.383 13.052 -13.468 556 3HD1 LEU 75 3HD1 LEU 75 -8.907 13.597 -12.767 557 1HD2 LEU 75 1HD2 LEU 75 -8.342 12.072 -16.279 558 2HD2 LEU 75 2HD2 LEU 75 -9.661 13.217 -16.033 559 3HD2 LEU 75 3HD2 LEU 75 -8.050 13.579 -15.412 560 H CYS 76 H CYS 76 -9.161 7.865 -14.220 561 HA CYS 76 HA CYS 76 -6.966 6.813 -15.749 562 1HB CYS 76 1HB CYS 76 -7.688 6.846 -13.160 563 2HB CYS 76 2HB CYS 76 -8.287 5.263 -13.627 564 H ASN 77 H ASN 77 -10.374 6.344 -15.370 565 HA ASN 77 HA ASN 77 -11.898 4.899 -16.280 566 1HB ASN 77 1HB ASN 77 -10.674 6.102 -18.309 567 2HB ASN 77 2HB ASN 77 -10.107 4.467 -18.633 568 2HD2 ASN 77 2HD2 ASN 77 -12.286 2.982 -17.891 569 1HD2 ASN 77 1HD2 ASN 77 -13.608 3.328 -18.947 570 H ILE 78 H ILE 78 -10.657 3.588 -14.447 571 HA ILE 78 HA ILE 78 -9.819 1.060 -15.668 572 HB ILE 78 HB ILE 78 -8.100 0.817 -14.259 573 1HG1 ILE 78 1HG1 ILE 78 -10.087 1.636 -12.249 574 2HG1 ILE 78 2HG1 ILE 78 -8.841 0.398 -12.159 575 1HG2 ILE 78 1HG2 ILE 78 -7.964 3.122 -15.223 576 2HG2 ILE 78 2HG2 ILE 78 -8.547 3.729 -13.673 577 3HG2 ILE 78 3HG2 ILE 78 -7.013 2.864 -13.760 578 1HD1 ILE 78 1HD1 ILE 78 -7.183 2.194 -11.719 579 2HD1 ILE 78 2HD1 ILE 78 -8.518 3.345 -11.657 580 3HD1 ILE 78 3HD1 ILE 78 -8.425 2.038 -10.476 581 HA PRO 79 HA PRO 79 -13.082 -0.889 -13.379 582 1HB PRO 79 1HB PRO 79 -12.186 -3.410 -13.157 583 2HB PRO 79 2HB PRO 79 -12.623 -2.727 -14.728 584 1HG PRO 79 1HG PRO 79 -9.919 -3.118 -13.517 585 2HG PRO 79 2HG PRO 79 -10.444 -3.366 -15.191 586 1HD PRO 79 1HD PRO 79 -9.108 -1.128 -14.284 587 2HD PRO 79 2HD PRO 79 -10.130 -1.171 -15.733 588 H CYS 80 H CYS 80 -13.394 -0.310 -11.300 589 HA CYS 80 HA CYS 80 -11.386 -0.205 -9.355 590 1HB CYS 80 1HB CYS 80 -14.332 -0.395 -8.760 591 2HB CYS 80 2HB CYS 80 -13.086 0.432 -7.830 592 H SER 81 H SER 81 -14.195 -2.419 -9.384 593 HA SER 81 HA SER 81 -13.266 -4.052 -7.310 594 1HB SER 81 1HB SER 81 -14.902 -5.738 -8.218 595 2HB SER 81 2HB SER 81 -15.583 -4.136 -7.934 596 HG SER 81 HG SER 81 -15.294 -5.525 -10.270 597 H ALA 82 H ALA 82 -12.305 -3.941 -10.627 598 HA ALA 82 HA ALA 82 -11.179 -6.624 -10.569 599 1HB ALA 82 1HB ALA 82 -12.177 -5.125 -12.601 600 2HB ALA 82 2HB ALA 82 -11.103 -6.510 -12.808 601 3HB ALA 82 3HB ALA 82 -10.444 -4.873 -12.803 602 H LEU 83 H LEU 83 -10.245 -3.450 -9.805 603 HA LEU 83 HA LEU 83 -7.396 -3.985 -10.126 604 1HB LEU 83 1HB LEU 83 -7.058 -1.748 -10.045 605 2HB LEU 83 2HB LEU 83 -8.750 -1.710 -10.494 606 HG LEU 83 HG LEU 83 -8.979 -1.705 -7.797 607 1HD1 LEU 83 1HD1 LEU 83 -6.400 -1.592 -7.774 608 2HD1 LEU 83 2HD1 LEU 83 -6.628 0.091 -8.247 609 3HD1 LEU 83 3HD1 LEU 83 -7.310 -0.498 -6.731 610 1HD2 LEU 83 1HD2 LEU 83 -9.812 -0.120 -9.684 611 2HD2 LEU 83 2HD2 LEU 83 -9.699 0.476 -8.029 612 3HD2 LEU 83 3HD2 LEU 83 -8.442 0.879 -9.199 613 H LEU 84 H LEU 84 -9.747 -4.585 -7.905 614 HA LEU 84 HA LEU 84 -7.955 -4.348 -5.597 615 1HB LEU 84 1HB LEU 84 -10.904 -4.969 -5.634 616 2HB LEU 84 2HB LEU 84 -9.931 -4.578 -4.229 617 HG LEU 84 HG LEU 84 -10.776 -2.748 -6.457 618 1HD1 LEU 84 1HD1 LEU 84 -11.332 -2.982 -3.535 619 2HD1 LEU 84 2HD1 LEU 84 -11.431 -1.410 -4.329 620 3HD1 LEU 84 3HD1 LEU 84 -12.451 -2.741 -4.876 621 1HD2 LEU 84 1HD2 LEU 84 -8.641 -2.332 -4.377 622 2HD2 LEU 84 2HD2 LEU 84 -8.498 -2.190 -6.128 623 3HD2 LEU 84 3HD2 LEU 84 -9.438 -1.005 -5.222 624 H SER 85 H SER 85 -8.694 -6.531 -7.891 625 HA SER 85 HA SER 85 -9.132 -8.921 -6.423 626 1HB SER 85 1HB SER 85 -8.090 -8.374 -9.202 627 2HB SER 85 2HB SER 85 -8.280 -10.008 -8.567 628 HG SER 85 HG SER 85 -10.231 -9.754 -9.342 629 H SER 86 H SER 86 -7.323 -10.716 -7.188 630 HA SER 86 HA SER 86 -5.097 -10.139 -5.445 631 1HB SER 86 1HB SER 86 -4.530 -12.453 -5.655 632 2HB SER 86 2HB SER 86 -6.291 -12.378 -5.572 633 HG SER 86 HG SER 86 -5.651 -13.747 -7.248 634 H ASP 87 H ASP 87 -5.437 -8.720 -8.022 635 HA ASP 87 HA ASP 87 -2.785 -9.291 -9.153 636 1HB ASP 87 1HB ASP 87 -4.494 -10.120 -10.686 637 2HB ASP 87 2HB ASP 87 -5.302 -8.557 -10.655 638 H ILE 88 H ILE 88 -1.472 -7.594 -8.899 639 HA ILE 88 HA ILE 88 -2.541 -5.014 -8.188 640 HB ILE 88 HB ILE 88 0.058 -4.472 -8.424 641 1HG1 ILE 88 1HG1 ILE 88 0.328 -7.283 -7.503 642 2HG1 ILE 88 2HG1 ILE 88 0.181 -7.023 -9.237 643 1HG2 ILE 88 1HG2 ILE 88 -1.713 -5.083 -6.353 644 2HG2 ILE 88 2HG2 ILE 88 -0.243 -5.993 -6.011 645 3HG2 ILE 88 3HG2 ILE 88 -0.166 -4.246 -6.234 646 1HD1 ILE 88 1HD1 ILE 88 2.060 -5.158 -8.271 647 2HD1 ILE 88 2HD1 ILE 88 2.459 -6.726 -7.570 648 3HD1 ILE 88 3HD1 ILE 88 2.333 -6.549 -9.321 649 H THR 89 H THR 89 -1.968 -6.523 -11.110 650 HA THR 89 HA THR 89 -0.685 -4.704 -12.708 651 HB THR 89 HB THR 89 -3.125 -6.334 -13.439 652 HG1 THR 89 HG1 THR 89 -0.509 -7.023 -14.177 653 1HG2 THR 89 1HG2 THR 89 -1.703 -4.368 -14.933 654 2HG2 THR 89 2HG2 THR 89 -1.356 -5.951 -15.626 655 3HG2 THR 89 3HG2 THR 89 -3.026 -5.407 -15.462 656 H ALA 90 H ALA 90 -4.197 -4.757 -12.036 657 HA ALA 90 HA ALA 90 -4.773 -2.444 -13.447 658 1HB ALA 90 1HB ALA 90 -6.569 -3.865 -13.030 659 2HB ALA 90 2HB ALA 90 -6.881 -2.455 -12.018 660 3HB ALA 90 3HB ALA 90 -6.227 -3.927 -11.300 661 H SER 91 H SER 91 -4.255 -2.914 -9.946 662 HA SER 91 HA SER 91 -4.667 -0.243 -9.184 663 1HB SER 91 1HB SER 91 -2.641 -1.672 -7.616 664 2HB SER 91 2HB SER 91 -4.183 -0.987 -7.105 665 HG SER 91 HG SER 91 -3.706 -3.500 -8.320 666 H VAL 92 H VAL 92 -1.887 -1.883 -10.465 667 HA VAL 92 HA VAL 92 -0.159 0.370 -9.931 668 HB VAL 92 HB VAL 92 0.393 -2.175 -11.461 669 1HG1 VAL 92 1HG1 VAL 92 1.711 -0.316 -12.375 670 2HG1 VAL 92 2HG1 VAL 92 2.295 0.069 -10.756 671 3HG1 VAL 92 3HG1 VAL 92 2.738 -1.462 -11.512 672 1HG2 VAL 92 1HG2 VAL 92 0.109 -2.261 -8.947 673 2HG2 VAL 92 2HG2 VAL 92 1.641 -2.868 -9.573 674 3HG2 VAL 92 3HG2 VAL 92 1.561 -1.266 -8.840 675 H ASN 93 H ASN 93 -2.027 -0.849 -12.632 676 HA ASN 93 HA ASN 93 -0.773 0.566 -14.624 677 1HB ASN 93 1HB ASN 93 -2.214 -0.669 -15.762 678 2HB ASN 93 2HB ASN 93 -3.126 -0.969 -14.306 679 2HD2 ASN 93 2HD2 ASN 93 -5.020 0.077 -13.966 680 1HD2 ASN 93 1HD2 ASN 93 -5.721 1.190 -15.086 681 H CYS 94 H CYS 94 -3.444 1.339 -12.512 682 HA CYS 94 HA CYS 94 -3.943 3.925 -13.526 683 1HB CYS 94 1HB CYS 94 -5.417 2.454 -11.980 684 2HB CYS 94 2HB CYS 94 -4.476 3.163 -10.671 685 H ALA 95 H ALA 95 -2.004 2.760 -10.757 686 HA ALA 95 HA ALA 95 -1.187 5.379 -10.000 687 1HB ALA 95 1HB ALA 95 -1.088 3.494 -8.455 688 2HB ALA 95 2HB ALA 95 0.215 2.792 -9.417 689 3HB ALA 95 3HB ALA 95 0.455 4.336 -8.598 690 H LYS 96 H LYS 96 0.054 2.991 -12.235 691 HA LYS 96 HA LYS 96 2.593 3.985 -12.726 692 1HB LYS 96 1HB LYS 96 0.576 2.495 -14.329 693 2HB LYS 96 2HB LYS 96 1.858 3.292 -15.232 694 1HG LYS 96 1HG LYS 96 3.498 2.106 -13.735 695 2HG LYS 96 2HG LYS 96 2.134 1.166 -13.127 696 1HD LYS 96 1HD LYS 96 2.314 1.294 -16.051 697 2HD LYS 96 2HD LYS 96 3.672 0.480 -15.271 698 1HE LYS 96 1HE LYS 96 2.424 -1.290 -14.691 699 2HE LYS 96 2HE LYS 96 1.067 -0.281 -14.190 700 1HZ LYS 96 1HZ LYS 96 1.050 -0.028 -16.881 701 2HZ LYS 96 2HZ LYS 96 1.518 -1.641 -16.683 702 3HZ LYS 96 3HZ LYS 96 0.072 -1.089 -15.999 703 H LYS 97 H LYS 97 -0.562 4.929 -13.738 704 HA LYS 97 HA LYS 97 0.277 7.136 -15.410 705 1HB LYS 97 1HB LYS 97 -1.996 5.658 -15.347 706 2HB LYS 97 2HB LYS 97 -2.510 7.059 -14.417 707 1HG LYS 97 1HG LYS 97 -3.087 7.763 -16.493 708 2HG LYS 97 2HG LYS 97 -1.426 8.356 -16.449 709 1HD LYS 97 1HD LYS 97 -1.045 7.185 -18.305 710 2HD LYS 97 2HD LYS 97 -1.238 5.718 -17.344 711 1HE LYS 97 1HE LYS 97 -2.700 5.582 -19.239 712 2HE LYS 97 2HE LYS 97 -3.680 5.814 -17.792 713 1HZ LYS 97 1HZ LYS 97 -3.044 8.331 -18.833 714 2HZ LYS 97 2HZ LYS 97 -3.616 7.380 -20.109 715 3HZ LYS 97 3HZ LYS 97 -4.564 7.597 -18.725 716 H ILE 98 H ILE 98 -0.723 6.590 -12.112 717 HA ILE 98 HA ILE 98 -1.246 9.241 -11.370 718 HB ILE 98 HB ILE 98 -0.336 6.899 -9.732 719 1HG1 ILE 98 1HG1 ILE 98 -2.999 8.340 -9.863 720 2HG1 ILE 98 2HG1 ILE 98 -2.628 6.861 -10.746 721 1HG2 ILE 98 1HG2 ILE 98 -0.936 9.718 -8.895 722 2HG2 ILE 98 2HG2 ILE 98 -1.121 8.359 -7.785 723 3HG2 ILE 98 3HG2 ILE 98 0.457 8.718 -8.486 724 1HD1 ILE 98 1HD1 ILE 98 -1.990 6.394 -8.039 725 2HD1 ILE 98 2HD1 ILE 98 -3.573 7.169 -8.085 726 3HD1 ILE 98 3HD1 ILE 98 -3.289 5.687 -8.998 727 H VAL 99 H VAL 99 1.656 7.280 -11.080 728 HA VAL 99 HA VAL 99 3.324 9.354 -10.097 729 HB VAL 99 HB VAL 99 3.754 6.928 -9.737 730 1HG1 VAL 99 1HG1 VAL 99 3.187 6.189 -12.021 731 2HG1 VAL 99 2HG1 VAL 99 4.663 6.955 -12.613 732 3HG1 VAL 99 3HG1 VAL 99 4.762 5.600 -11.487 733 1HG2 VAL 99 1HG2 VAL 99 5.719 8.913 -10.627 734 2HG2 VAL 99 2HG2 VAL 99 5.682 7.927 -9.165 735 3HG2 VAL 99 3HG2 VAL 99 6.290 7.245 -10.674 736 H SER 100 H SER 100 2.314 8.371 -13.268 737 HA SER 100 HA SER 100 4.501 9.740 -14.598 738 1HB SER 100 1HB SER 100 3.491 7.670 -15.557 739 2HB SER 100 2HB SER 100 1.982 8.551 -15.786 740 HG SER 100 HG SER 100 3.984 8.428 -17.449 741 H ASP 101 H ASP 101 1.565 10.562 -13.196 742 HA ASP 101 HA ASP 101 0.869 12.701 -14.997 743 1HB ASP 101 1HB ASP 101 -0.494 11.250 -13.063 744 2HB ASP 101 2HB ASP 101 -0.330 12.849 -12.346 745 H GLY 102 H GLY 102 3.263 12.359 -12.720 746 1HA GLY 102 1HA GLY 102 3.218 15.248 -12.104 747 2HA GLY 102 2HA GLY 102 4.680 14.426 -12.625 748 H ASN 103 H ASN 103 2.216 13.389 -10.282 749 HA ASN 103 HA ASN 103 4.093 13.796 -8.092 750 1HB ASN 103 1HB ASN 103 1.178 13.424 -8.349 751 2HB ASN 103 2HB ASN 103 1.903 12.678 -6.929 752 2HD2 ASN 103 2HD2 ASN 103 0.697 14.175 -5.670 753 1HD2 ASN 103 1HD2 ASN 103 1.251 15.799 -5.469 754 H GLY 104 H GLY 104 5.539 12.248 -7.705 755 1HA GLY 104 1HA GLY 104 6.524 10.158 -7.718 756 2HA GLY 104 2HA GLY 104 5.105 9.529 -8.537 757 H MET 105 H MET 105 6.866 9.184 -5.841 758 HA MET 105 HA MET 105 4.812 7.739 -4.462 759 1HB MET 105 1HB MET 105 7.408 8.370 -3.144 760 2HB MET 105 2HB MET 105 6.506 6.862 -3.177 761 1HG MET 105 1HG MET 105 8.168 8.005 -5.408 762 2HG MET 105 2HG MET 105 8.577 6.628 -4.385 763 1HE MET 105 1HE MET 105 5.380 5.693 -4.246 764 2HE MET 105 2HE MET 105 5.369 4.374 -5.418 765 3HE MET 105 3HE MET 105 6.677 4.498 -4.242 766 H ASN 106 H ASN 106 5.718 10.926 -4.616 767 HA ASN 106 HA ASN 106 5.379 11.684 -1.891 768 1HB ASN 106 1HB ASN 106 5.030 13.631 -4.120 769 2HB ASN 106 2HB ASN 106 5.922 13.787 -2.616 770 2HD2 ASN 106 2HD2 ASN 106 6.088 13.033 -5.916 771 1HD2 ASN 106 1HD2 ASN 106 7.764 12.621 -5.978 772 H ALA 107 H ALA 107 3.296 11.308 -4.667 773 HA ALA 107 HA ALA 107 1.135 12.893 -4.001 774 1HB ALA 107 1HB ALA 107 1.546 11.374 -6.057 775 2HB ALA 107 2HB ALA 107 -0.108 11.647 -5.512 776 3HB ALA 107 3HB ALA 107 0.717 10.143 -5.106 777 H TRP 108 H TRP 108 1.787 9.555 -3.002 778 HA TRP 108 HA TRP 108 -0.509 9.479 -1.281 779 1HB TRP 108 1HB TRP 108 1.783 7.524 -1.539 780 2HB TRP 108 2HB TRP 108 0.249 7.225 -0.724 781 HD1 TRP 108 HD1 TRP 108 -1.961 7.057 -2.319 782 HE1 TRP 108 HE1 TRP 108 -2.199 6.343 -4.780 783 HE3 TRP 108 HE3 TRP 108 2.914 7.529 -3.774 784 HZ2 TRP 108 HZ2 TRP 108 -0.536 6.015 -7.048 785 HZ3 TRP 108 HZ3 TRP 108 3.508 7.001 -6.099 786 HH2 TRP 108 HH2 TRP 108 1.820 6.256 -7.700 787 H VAL 109 H VAL 109 -0.602 9.711 0.858 788 HA VAL 109 HA VAL 109 1.476 11.170 2.162 789 HB VAL 109 HB VAL 109 -0.761 10.115 3.684 790 1HG1 VAL 109 1HG1 VAL 109 1.127 11.913 4.248 791 2HG1 VAL 109 2HG1 VAL 109 -0.112 12.987 3.597 792 3HG1 VAL 109 3HG1 VAL 109 -0.479 11.952 4.977 793 1HG2 VAL 109 1HG2 VAL 109 -1.081 12.108 1.463 794 2HG2 VAL 109 2HG2 VAL 109 -1.933 10.578 1.667 795 3HG2 VAL 109 3HG2 VAL 109 -2.251 11.917 2.769 796 H ALA 110 H ALA 110 0.714 7.826 2.044 797 HA ALA 110 HA ALA 110 1.732 7.178 4.639 798 1HB ALA 110 1HB ALA 110 1.275 5.432 2.220 799 2HB ALA 110 2HB ALA 110 1.684 4.846 3.833 800 3HB ALA 110 3HB ALA 110 0.156 5.684 3.560 801 H TRP 111 H TRP 111 3.071 7.556 1.457 802 HA TRP 111 HA TRP 111 5.618 6.414 2.216 803 1HB TRP 111 1HB TRP 111 4.891 6.198 -0.110 804 2HB TRP 111 2HB TRP 111 4.821 7.944 -0.273 805 HD1 TRP 111 HD1 TRP 111 7.237 5.034 -0.334 806 HE1 TRP 111 HE1 TRP 111 9.560 5.873 -1.057 807 HE3 TRP 111 HE3 TRP 111 6.377 10.071 -0.152 808 HZ2 TRP 111 HZ2 TRP 111 10.856 8.341 -1.492 809 HZ3 TRP 111 HZ3 TRP 111 8.211 11.602 -0.737 810 HH2 TRP 111 HH2 TRP 111 10.405 10.753 -1.392 811 H ARG 112 H ARG 112 4.099 9.579 1.963 812 HA ARG 112 HA ARG 112 6.596 10.923 2.638 813 1HB ARG 112 1HB ARG 112 3.932 11.724 1.638 814 2HB ARG 112 2HB ARG 112 4.763 12.876 2.672 815 1HG ARG 112 1HG ARG 112 6.537 11.822 0.657 816 2HG ARG 112 2HG ARG 112 5.095 12.539 -0.065 817 1HD ARG 112 1HD ARG 112 5.628 14.449 1.697 818 2HD ARG 112 2HD ARG 112 7.260 13.803 1.527 819 HE ARG 112 HE ARG 112 6.587 14.129 -1.021 820 1HH1 ARG 112 1HH1 ARG 112 6.159 16.252 1.708 821 2HH1 ARG 112 2HH1 ARG 112 6.267 17.699 0.763 822 1HH2 ARG 112 1HH2 ARG 112 6.732 16.029 -2.273 823 2HH2 ARG 112 2HH2 ARG 112 6.592 17.572 -1.500 824 H ASN 113 H ASN 113 5.891 9.222 4.606 825 HA ASN 113 HA ASN 113 5.416 11.029 6.808 826 1HB ASN 113 1HB ASN 113 3.345 9.201 5.861 827 2HB ASN 113 2HB ASN 113 3.747 8.948 7.558 828 2HD2 ASN 113 2HD2 ASN 113 3.374 10.595 9.039 829 1HD2 ASN 113 1HD2 ASN 113 2.342 11.934 8.683 830 H ARG 114 H ARG 114 5.480 7.549 6.084 831 HA ARG 114 HA ARG 114 7.460 7.229 8.239 832 1HB ARG 114 1HB ARG 114 5.161 5.589 7.340 833 2HB ARG 114 2HB ARG 114 6.587 4.728 7.889 834 1HG ARG 114 1HG ARG 114 5.806 4.957 9.952 835 2HG ARG 114 2HG ARG 114 6.178 6.677 9.819 836 1HD ARG 114 1HD ARG 114 3.849 6.773 8.625 837 2HD ARG 114 2HD ARG 114 3.571 5.264 9.493 838 HE ARG 114 HE ARG 114 4.229 7.822 10.805 839 1HH1 ARG 114 1HH1 ARG 114 2.585 4.751 10.723 840 2HH1 ARG 114 2HH1 ARG 114 1.792 4.990 12.244 841 1HH2 ARG 114 1HH2 ARG 114 3.189 8.145 12.808 842 2HH2 ARG 114 2HH2 ARG 114 2.134 6.919 13.429 843 H CYS 115 H CYS 115 7.415 7.502 5.021 844 HA CYS 115 HA CYS 115 9.422 5.385 4.617 845 1HB CYS 115 1HB CYS 115 7.460 6.657 2.735 846 2HB CYS 115 2HB CYS 115 8.895 5.839 2.129 847 H LYS 116 H LYS 116 8.649 8.730 3.645 848 HA LYS 116 HA LYS 116 11.124 9.287 2.458 849 1HB LYS 116 1HB LYS 116 8.938 10.625 2.344 850 2HB LYS 116 2HB LYS 116 9.438 11.345 3.868 851 1HG LYS 116 1HG LYS 116 11.673 11.630 2.300 852 2HG LYS 116 2HG LYS 116 10.349 11.878 1.159 853 1HD LYS 116 1HD LYS 116 9.444 13.371 3.180 854 2HD LYS 116 2HD LYS 116 11.175 13.496 3.501 855 1HE LYS 116 1HE LYS 116 10.308 13.888 0.701 856 2HE LYS 116 2HE LYS 116 9.864 15.150 1.849 857 1HZ LYS 116 1HZ LYS 116 12.235 15.252 2.499 858 2HZ LYS 116 2HZ LYS 116 12.600 14.168 1.254 859 3HZ LYS 116 3HZ LYS 116 11.963 15.691 0.887 860 H GLY 117 H GLY 117 12.811 8.540 3.751 861 1HA GLY 117 1HA GLY 117 13.143 9.892 6.347 862 2HA GLY 117 2HA GLY 117 14.428 9.948 5.153 863 H THR 118 H THR 118 13.187 6.995 4.655 864 HA THR 118 HA THR 118 14.915 5.759 6.697 865 HB THR 118 HB THR 118 13.476 3.752 6.554 866 HG1 THR 118 HG1 THR 118 12.298 3.725 4.779 867 1HG2 THR 118 1HG2 THR 118 13.099 5.543 8.263 868 2HG2 THR 118 2HG2 THR 118 11.856 6.213 7.205 869 3HG2 THR 118 3HG2 THR 118 11.663 4.595 7.878 870 H ASP 119 H ASP 119 14.645 3.129 5.516 871 HA ASP 119 HA ASP 119 16.207 3.507 3.063 872 1HB ASP 119 1HB ASP 119 17.297 2.614 5.248 873 2HB ASP 119 2HB ASP 119 16.585 1.117 4.696 874 H VAL 120 H VAL 120 14.597 3.200 1.595 875 HA VAL 120 HA VAL 120 12.687 1.113 1.737 876 HB VAL 120 HB VAL 120 12.184 1.696 -0.620 877 1HG1 VAL 120 1HG1 VAL 120 11.445 3.013 1.516 878 2HG1 VAL 120 2HG1 VAL 120 12.457 4.286 0.834 879 3HG1 VAL 120 3HG1 VAL 120 11.095 3.652 -0.091 880 1HG2 VAL 120 1HG2 VAL 120 14.470 2.236 -1.328 881 2HG2 VAL 120 2HG2 VAL 120 13.347 3.546 -1.693 882 3HG2 VAL 120 3HG2 VAL 120 14.439 3.679 -0.313 883 H GLN 121 H GLN 121 15.804 1.492 0.130 884 HA GLN 121 HA GLN 121 15.722 -0.806 -1.473 885 1HB GLN 121 1HB GLN 121 17.730 1.097 -0.578 886 2HB GLN 121 2HB GLN 121 18.383 -0.533 -0.677 887 1HG GLN 121 1HG GLN 121 18.102 -0.659 -2.945 888 2HG GLN 121 2HG GLN 121 16.785 0.513 -2.957 889 2HE2 GLN 121 2HE2 GLN 121 17.424 2.114 -4.219 890 1HE2 GLN 121 1HE2 GLN 121 18.933 2.949 -4.108 891 H ALA 122 H ALA 122 16.103 -0.355 1.905 892 HA ALA 122 HA ALA 122 17.145 -3.033 2.360 893 1HB ALA 122 1HB ALA 122 16.725 -0.613 4.035 894 2HB ALA 122 2HB ALA 122 16.736 -2.187 4.831 895 3HB ALA 122 3HB ALA 122 18.135 -1.662 3.895 896 H TRP 123 H TRP 123 14.131 -1.367 2.232 897 HA TRP 123 HA TRP 123 12.600 -2.925 3.996 898 1HB TRP 123 1HB TRP 123 12.010 -1.175 1.671 899 2HB TRP 123 2HB TRP 123 10.745 -2.289 2.176 900 HD1 TRP 123 HD1 TRP 123 11.352 1.116 2.592 901 HE1 TRP 123 HE1 TRP 123 10.601 2.035 4.877 902 HE3 TRP 123 HE3 TRP 123 10.960 -3.259 5.177 903 HZ2 TRP 123 HZ2 TRP 123 9.939 1.001 7.409 904 HZ3 TRP 123 HZ3 TRP 123 10.265 -3.217 7.517 905 HH2 TRP 123 HH2 TRP 123 9.759 -1.106 8.622 906 H ILE 124 H ILE 124 14.060 -3.791 1.052 907 HA ILE 124 HA ILE 124 12.308 -6.151 0.812 908 HB ILE 124 HB ILE 124 13.504 -6.307 -1.497 909 1HG1 ILE 124 1HG1 ILE 124 13.430 -3.482 -1.881 910 2HG1 ILE 124 2HG1 ILE 124 14.493 -3.820 -0.518 911 1HG2 ILE 124 1HG2 ILE 124 11.183 -4.641 -0.671 912 2HG2 ILE 124 2HG2 ILE 124 11.700 -4.607 -2.357 913 3HG2 ILE 124 3HG2 ILE 124 11.225 -6.132 -1.611 914 1HD1 ILE 124 1HD1 ILE 124 15.446 -5.634 -2.187 915 2HD1 ILE 124 2HD1 ILE 124 14.793 -4.511 -3.380 916 3HD1 ILE 124 3HD1 ILE 124 15.992 -3.957 -2.212 917 H ARG 125 H ARG 125 14.687 -5.661 2.565 918 HA ARG 125 HA ARG 125 16.848 -7.223 1.582 919 1HB ARG 125 1HB ARG 125 16.870 -5.498 3.486 920 2HB ARG 125 2HB ARG 125 16.227 -6.784 4.497 921 1HG ARG 125 1HG ARG 125 18.242 -8.153 3.709 922 2HG ARG 125 2HG ARG 125 18.901 -6.610 3.162 923 1HD ARG 125 1HD ARG 125 19.702 -7.162 5.398 924 2HD ARG 125 2HD ARG 125 18.698 -5.714 5.422 925 HE ARG 125 HE ARG 125 16.902 -7.104 6.320 926 1HH1 ARG 125 1HH1 ARG 125 20.146 -8.370 6.444 927 2HH1 ARG 125 2HH1 ARG 125 19.811 -9.453 7.754 928 1HH2 ARG 125 1HH2 ARG 125 16.453 -8.527 8.044 929 2HH2 ARG 125 2HH2 ARG 125 17.712 -9.542 8.664 930 H GLY 126 H GLY 126 15.990 -9.162 0.820 931 1HA GLY 126 1HA GLY 126 14.476 -10.870 2.609 932 2HA GLY 126 2HA GLY 126 16.118 -11.408 2.288 933 H CYS 127 H CYS 127 14.809 -9.733 -0.344 934 HA CYS 127 HA CYS 127 14.068 -12.250 -1.647 935 1HB CYS 127 1HB CYS 127 13.077 -9.703 -2.684 936 2HB CYS 127 2HB CYS 127 12.324 -11.278 -2.720 937 H ARG 128 H ARG 128 14.616 -12.490 -3.856 938 HA ARG 128 HA ARG 128 16.286 -10.533 -5.144 939 1HB ARG 128 1HB ARG 128 17.643 -12.177 -3.468 940 2HB ARG 128 2HB ARG 128 17.678 -13.134 -4.943 941 1HG ARG 128 1HG ARG 128 18.384 -10.290 -5.241 942 2HG ARG 128 2HG ARG 128 19.515 -11.283 -4.318 943 1HD ARG 128 1HD ARG 128 19.298 -12.938 -6.296 944 2HD ARG 128 2HD ARG 128 18.656 -11.551 -7.175 945 HE ARG 128 HE ARG 128 21.057 -10.790 -5.957 946 1HH1 ARG 128 1HH1 ARG 128 19.917 -12.912 -8.476 947 2HH1 ARG 128 2HH1 ARG 128 21.380 -12.817 -9.396 948 1HH2 ARG 128 1HH2 ARG 128 22.988 -10.660 -7.162 949 2HH2 ARG 128 2HH2 ARG 128 23.127 -11.538 -8.649 950 H LEU 129 H LEU 129 14.023 -11.188 -6.123 951 HA LEU 129 HA LEU 129 14.272 -13.468 -7.923 952 1HB LEU 129 1HB LEU 129 11.850 -11.913 -8.214 953 2HB LEU 129 2HB LEU 129 12.046 -13.602 -7.785 954 HG LEU 129 HG LEU 129 12.670 -12.606 -5.424 955 1HD1 LEU 129 1HD1 LEU 129 12.270 -10.253 -6.660 956 2HD1 LEU 129 2HD1 LEU 129 10.648 -10.553 -6.037 957 3HD1 LEU 129 3HD1 LEU 129 12.023 -10.506 -4.933 958 1HD2 LEU 129 1HD2 LEU 129 10.349 -13.673 -6.611 959 2HD2 LEU 129 2HD2 LEU 129 10.795 -13.663 -4.904 960 3HD2 LEU 129 3HD2 LEU 129 9.832 -12.345 -5.572 No H/Q in entry = 960 Start of MODEL 43 1 H1 LYS 1 H1 LYS 1 -6.519 -9.937 2.565 2 H2 LYS 1 H2 LYS 1 -7.598 -10.530 1.405 3 H3 LYS 1 H3 LYS 1 -7.224 -11.460 2.765 4 HA LYS 1 HA LYS 1 -5.206 -12.101 1.992 5 1HB LYS 1 1HB LYS 1 -7.295 -11.881 -0.024 6 2HB LYS 1 2HB LYS 1 -5.692 -11.929 -0.744 7 1HG LYS 1 1HG LYS 1 -5.230 -14.041 0.133 8 2HG LYS 1 2HG LYS 1 -6.531 -13.932 1.320 9 1HD LYS 1 1HD LYS 1 -7.536 -15.297 -0.208 10 2HD LYS 1 2HD LYS 1 -8.011 -13.731 -0.869 11 1HE LYS 1 1HE LYS 1 -6.497 -13.859 -2.608 12 2HE LYS 1 2HE LYS 1 -5.454 -14.994 -1.753 13 1HZ LYS 1 1HZ LYS 1 -7.202 -16.685 -2.039 14 2HZ LYS 1 2HZ LYS 1 -8.098 -15.590 -2.965 15 3HZ LYS 1 3HZ LYS 1 -6.590 -16.127 -3.513 16 H VAL 2 H VAL 2 -3.612 -10.625 2.505 17 HA VAL 2 HA VAL 2 -3.121 -8.359 0.749 18 HB VAL 2 HB VAL 2 -1.780 -9.288 3.289 19 1HG1 VAL 2 1HG1 VAL 2 -0.386 -8.016 1.382 20 2HG1 VAL 2 2HG1 VAL 2 -1.124 -6.629 2.179 21 3HG1 VAL 2 3HG1 VAL 2 -0.125 -7.747 3.104 22 1HG2 VAL 2 1HG2 VAL 2 -4.030 -7.649 2.741 23 2HG2 VAL 2 2HG2 VAL 2 -3.299 -8.026 4.302 24 3HG2 VAL 2 3HG2 VAL 2 -2.750 -6.622 3.386 25 H PHE 3 H PHE 3 -1.200 -8.046 -0.438 26 HA PHE 3 HA PHE 3 -0.126 -10.314 -1.716 27 1HB PHE 3 1HB PHE 3 0.443 -7.382 -1.709 28 2HB PHE 3 2HB PHE 3 1.662 -8.458 -2.375 29 HD1 PHE 3 HD1 PHE 3 1.186 -9.777 -4.376 30 HD2 PHE 3 HD2 PHE 3 -1.603 -6.964 -2.832 31 HE1 PHE 3 HE1 PHE 3 -0.007 -9.786 -6.525 32 HE2 PHE 3 HE2 PHE 3 -2.806 -6.968 -4.973 33 HZ PHE 3 HZ PHE 3 -2.008 -8.383 -6.827 34 H GLY 4 H GLY 4 2.207 -10.746 -1.837 35 1HA GLY 4 1HA GLY 4 3.896 -11.815 -0.583 36 2HA GLY 4 2HA GLY 4 3.333 -10.962 0.850 37 H ARG 5 H ARG 5 5.514 -10.343 1.325 38 HA ARG 5 HA ARG 5 6.215 -7.792 0.512 39 1HB ARG 5 1HB ARG 5 7.369 -9.853 2.159 40 2HB ARG 5 2HB ARG 5 8.628 -9.078 1.206 41 1HG ARG 5 1HG ARG 5 7.747 -6.873 2.029 42 2HG ARG 5 2HG ARG 5 6.726 -7.786 3.142 43 1HD ARG 5 1HD ARG 5 9.566 -8.547 3.136 44 2HD ARG 5 2HD ARG 5 9.230 -6.916 3.714 45 HE ARG 5 HE ARG 5 7.837 -9.249 4.844 46 1HH1 ARG 5 1HH1 ARG 5 9.806 -6.398 5.215 47 2HH1 ARG 5 2HH1 ARG 5 9.738 -6.419 6.945 48 1HH2 ARG 5 1HH2 ARG 5 7.742 -9.284 7.122 49 2HH2 ARG 5 2HH2 ARG 5 8.566 -8.061 8.029 50 H CYS 6 H CYS 6 7.982 -10.754 -0.432 51 HA CYS 6 HA CYS 6 9.140 -9.312 -2.645 52 1HB CYS 6 1HB CYS 6 9.427 -12.266 -2.369 53 2HB CYS 6 2HB CYS 6 10.587 -11.055 -2.909 54 H GLU 7 H GLU 7 6.634 -11.731 -2.137 55 HA GLU 7 HA GLU 7 6.223 -12.655 -4.699 56 1HB GLU 7 1HB GLU 7 4.702 -12.542 -2.296 57 2HB GLU 7 2HB GLU 7 3.661 -11.981 -3.597 58 1HG GLU 7 1HG GLU 7 3.404 -14.032 -4.402 59 2HG GLU 7 2HG GLU 7 5.137 -14.354 -4.345 60 H LEU 8 H LEU 8 4.933 -9.715 -3.221 61 HA LEU 8 HA LEU 8 3.755 -8.695 -5.572 62 1HB LEU 8 1HB LEU 8 2.911 -7.602 -3.749 63 2HB LEU 8 2HB LEU 8 4.443 -7.614 -2.895 64 HG LEU 8 HG LEU 8 5.210 -5.849 -4.593 65 1HD1 LEU 8 1HD1 LEU 8 2.364 -6.154 -5.313 66 2HD1 LEU 8 2HD1 LEU 8 2.982 -4.505 -5.210 67 3HD1 LEU 8 3HD1 LEU 8 3.743 -5.665 -6.298 68 1HD2 LEU 8 1HD2 LEU 8 3.916 -5.670 -2.132 69 2HD2 LEU 8 2HD2 LEU 8 4.904 -4.436 -2.915 70 3HD2 LEU 8 3HD2 LEU 8 3.156 -4.446 -3.150 71 H ALA 9 H ALA 9 6.977 -8.254 -4.063 72 HA ALA 9 HA ALA 9 7.903 -6.230 -5.742 73 1HB ALA 9 1HB ALA 9 9.754 -8.385 -4.845 74 2HB ALA 9 2HB ALA 9 10.000 -6.640 -4.910 75 3HB ALA 9 3HB ALA 9 8.977 -7.341 -3.654 76 H ALA 10 H ALA 10 8.302 -9.760 -6.148 77 HA ALA 10 HA ALA 10 9.672 -9.765 -8.536 78 1HB ALA 10 1HB ALA 10 8.910 -11.996 -8.859 79 2HB ALA 10 2HB ALA 10 7.475 -11.718 -7.872 80 3HB ALA 10 3HB ALA 10 9.069 -11.763 -7.118 81 H ALA 11 H ALA 11 6.210 -9.446 -7.919 82 HA ALA 11 HA ALA 11 5.429 -9.418 -10.628 83 1HB ALA 11 1HB ALA 11 3.906 -8.017 -8.475 84 2HB ALA 11 2HB ALA 11 3.961 -9.777 -8.560 85 3HB ALA 11 3HB ALA 11 3.285 -8.850 -9.900 86 H MET 12 H MET 12 6.334 -6.978 -8.391 87 HA MET 12 HA MET 12 5.710 -4.689 -9.884 88 1HB MET 12 1HB MET 12 8.104 -4.888 -8.074 89 2HB MET 12 2HB MET 12 7.136 -3.475 -8.419 90 1HG MET 12 1HG MET 12 5.219 -4.850 -7.331 91 2HG MET 12 2HG MET 12 6.547 -5.764 -6.621 92 1HE MET 12 1HE MET 12 5.426 -2.340 -7.540 93 2HE MET 12 2HE MET 12 5.575 -1.360 -6.083 94 3HE MET 12 3HE MET 12 6.988 -1.654 -7.096 95 H LYS 13 H LYS 13 8.764 -6.490 -9.633 96 HA LYS 13 HA LYS 13 10.305 -4.975 -11.366 97 1HB LYS 13 1HB LYS 13 10.626 -7.358 -9.985 98 2HB LYS 13 2HB LYS 13 10.758 -7.846 -11.668 99 1HG LYS 13 1HG LYS 13 12.300 -5.500 -11.352 100 2HG LYS 13 2HG LYS 13 12.695 -6.584 -10.017 101 1HD LYS 13 1HD LYS 13 12.514 -7.766 -12.732 102 2HD LYS 13 2HD LYS 13 13.903 -6.735 -12.385 103 1HE LYS 13 1HE LYS 13 14.843 -8.264 -11.044 104 2HE LYS 13 2HE LYS 13 13.310 -8.654 -10.265 105 1HZ LYS 13 1HZ LYS 13 13.925 -9.601 -12.995 106 2HZ LYS 13 2HZ LYS 13 14.444 -10.459 -11.633 107 3HZ LYS 13 3HZ LYS 13 12.792 -10.210 -11.895 108 H ARG 14 H ARG 14 8.060 -7.610 -12.030 109 HA ARG 14 HA ARG 14 8.524 -7.713 -14.821 110 1HB ARG 14 1HB ARG 14 7.382 -9.469 -13.346 111 2HB ARG 14 2HB ARG 14 5.943 -8.466 -13.454 112 1HG ARG 14 1HG ARG 14 5.986 -8.689 -15.897 113 2HG ARG 14 2HG ARG 14 7.402 -9.734 -15.762 114 1HD ARG 14 1HD ARG 14 6.097 -11.495 -15.414 115 2HD ARG 14 2HD ARG 14 5.380 -10.708 -14.008 116 HE ARG 14 HE ARG 14 4.140 -9.615 -16.218 117 1HH1 ARG 14 1HH1 ARG 14 4.491 -12.779 -14.802 118 2HH1 ARG 14 2HH1 ARG 14 2.965 -13.352 -15.388 119 1HH2 ARG 14 1HH2 ARG 14 2.130 -10.360 -16.992 120 2HH2 ARG 14 2HH2 ARG 14 1.623 -11.977 -16.633 121 H HIS 15 H HIS 15 6.241 -5.938 -12.767 122 HA HIS 15 HA HIS 15 4.802 -4.822 -14.943 123 1HB HIS 15 1HB HIS 15 4.922 -4.253 -11.990 124 2HB HIS 15 2HB HIS 15 3.921 -3.300 -13.082 125 HD1 HIS 15 HD1 HIS 15 2.074 -4.374 -11.335 126 HD2 HIS 15 HD2 HIS 15 3.732 -6.902 -14.185 127 HE1 HIS 15 HE1 HIS 15 0.508 -6.333 -11.487 128 HE2 HIS 15 HE2 HIS 15 1.485 -7.808 -13.281 129 H GLY 16 H GLY 16 7.921 -4.120 -13.804 130 1HA GLY 16 1HA GLY 16 7.934 -1.734 -15.373 131 2HA GLY 16 2HA GLY 16 9.305 -2.502 -14.602 132 H LEU 17 H LEU 17 7.752 -2.310 -11.879 133 HA LEU 17 HA LEU 17 7.631 0.538 -11.560 134 1HB LEU 17 1HB LEU 17 7.715 -1.395 -9.277 135 2HB LEU 17 2HB LEU 17 6.955 0.180 -9.340 136 HG LEU 17 HG LEU 17 5.894 -2.449 -10.045 137 1HD1 LEU 17 1HD1 LEU 17 5.177 -0.249 -8.508 138 2HD1 LEU 17 2HD1 LEU 17 4.013 -0.268 -9.832 139 3HD1 LEU 17 3HD1 LEU 17 4.210 -1.692 -8.810 140 1HD2 LEU 17 1HD2 LEU 17 5.560 -0.140 -11.937 141 2HD2 LEU 17 2HD2 LEU 17 5.920 -1.826 -12.304 142 3HD2 LEU 17 3HD2 LEU 17 4.309 -1.369 -11.751 143 H ASP 18 H ASP 18 10.053 -1.679 -11.624 144 HA ASP 18 HA ASP 18 11.825 -0.479 -9.709 145 1HB ASP 18 1HB ASP 18 12.255 -2.765 -10.144 146 2HB ASP 18 2HB ASP 18 12.204 -2.528 -11.885 147 H ASN 19 H ASN 19 11.866 1.685 -10.229 148 HA ASN 19 HA ASN 19 13.011 3.500 -11.064 149 1HB ASN 19 1HB ASN 19 14.506 1.511 -12.220 150 2HB ASN 19 2HB ASN 19 13.846 2.331 -13.632 151 2HD2 ASN 19 2HD2 ASN 19 13.994 4.785 -13.479 152 1HD2 ASN 19 1HD2 ASN 19 15.501 5.418 -12.922 153 H TYR 20 H TYR 20 10.337 2.906 -11.356 154 HA TYR 20 HA TYR 20 9.573 3.568 -14.092 155 1HB TYR 20 1HB TYR 20 8.333 1.876 -12.655 156 2HB TYR 20 2HB TYR 20 7.703 3.249 -11.749 157 HD1 TYR 20 HD1 TYR 20 7.735 1.591 -15.046 158 HD2 TYR 20 HD2 TYR 20 5.962 4.619 -12.641 159 HE1 TYR 20 HE1 TYR 20 5.946 1.858 -16.712 160 HE2 TYR 20 HE2 TYR 20 4.168 4.895 -14.300 161 HH TYR 20 HH TYR 20 3.820 2.719 -17.011 162 H ARG 21 H ARG 21 9.264 5.571 -14.776 163 HA ARG 21 HA ARG 21 8.990 7.832 -14.794 164 1HB ARG 21 1HB ARG 21 7.155 6.874 -12.719 165 2HB ARG 21 2HB ARG 21 7.674 8.536 -12.469 166 1HG ARG 21 1HG ARG 21 6.487 7.496 -15.032 167 2HG ARG 21 2HG ARG 21 5.575 8.320 -13.766 168 1HD ARG 21 1HD ARG 21 6.041 10.128 -15.054 169 2HD ARG 21 2HD ARG 21 7.526 10.110 -14.105 170 HE ARG 21 HE ARG 21 8.517 8.851 -16.019 171 1HH1 ARG 21 1HH1 ARG 21 5.753 10.921 -16.488 172 2HH1 ARG 21 2HH1 ARG 21 6.095 11.216 -18.160 173 1HH2 ARG 21 1HH2 ARG 21 8.976 9.234 -18.219 174 2HH2 ARG 21 2HH2 ARG 21 7.927 10.257 -19.144 175 H GLY 22 H GLY 22 11.054 6.313 -13.249 176 1HA GLY 22 1HA GLY 22 12.266 8.653 -11.975 177 2HA GLY 22 2HA GLY 22 13.123 7.227 -12.532 178 H TYR 23 H TYR 23 10.559 5.921 -10.905 179 HA TYR 23 HA TYR 23 11.978 6.148 -8.353 180 1HB TYR 23 1HB TYR 23 9.104 5.851 -9.018 181 2HB TYR 23 2HB TYR 23 9.685 5.108 -7.527 182 HD1 TYR 23 HD1 TYR 23 11.396 6.782 -6.208 183 HD2 TYR 23 HD2 TYR 23 8.208 7.963 -8.766 184 HE1 TYR 23 HE1 TYR 23 11.311 8.966 -5.083 185 HE2 TYR 23 HE2 TYR 23 8.114 10.149 -7.646 186 HH TYR 23 HH TYR 23 9.652 11.612 -6.327 187 H SER 24 H SER 24 13.007 4.513 -7.532 188 HA SER 24 HA SER 24 13.124 2.029 -8.930 189 1HB SER 24 1HB SER 24 14.828 1.416 -7.337 190 2HB SER 24 2HB SER 24 15.084 3.098 -7.796 191 HG SER 24 HG SER 24 14.203 2.021 -5.373 192 H LEU 25 H LEU 25 12.860 -0.039 -7.910 193 HA LEU 25 HA LEU 25 10.365 -0.672 -7.115 194 1HB LEU 25 1HB LEU 25 12.984 -1.936 -6.966 195 2HB LEU 25 2HB LEU 25 11.874 -2.523 -5.743 196 HG LEU 25 HG LEU 25 11.104 -2.411 -8.641 197 1HD1 LEU 25 1HD1 LEU 25 12.926 -4.275 -7.276 198 2HD1 LEU 25 2HD1 LEU 25 11.649 -5.021 -8.238 199 3HD1 LEU 25 3HD1 LEU 25 12.770 -3.885 -8.989 200 1HD2 LEU 25 1HD2 LEU 25 9.924 -3.356 -6.145 201 2HD2 LEU 25 2HD2 LEU 25 9.159 -2.956 -7.683 202 3HD2 LEU 25 3HD2 LEU 25 9.881 -4.547 -7.446 203 H GLY 26 H GLY 26 13.065 -0.258 -4.806 204 1HA GLY 26 1HA GLY 26 13.062 0.517 -2.640 205 2HA GLY 26 2HA GLY 26 11.826 -0.710 -2.442 206 H ASN 27 H ASN 27 11.559 2.302 -4.291 207 HA ASN 27 HA ASN 27 10.194 3.742 -2.272 208 1HB ASN 27 1HB ASN 27 10.241 4.145 -5.265 209 2HB ASN 27 2HB ASN 27 9.570 5.295 -4.111 210 2HD2 ASN 27 2HD2 ASN 27 12.547 3.428 -4.614 211 1HD2 ASN 27 1HD2 ASN 27 13.624 4.716 -4.207 212 H TRP 28 H TRP 28 9.116 1.587 -4.798 213 HA TRP 28 HA TRP 28 6.338 2.235 -4.534 214 1HB TRP 28 1HB TRP 28 7.646 -0.121 -5.881 215 2HB TRP 28 2HB TRP 28 5.969 0.392 -6.075 216 HD1 TRP 28 HD1 TRP 28 9.470 1.167 -7.223 217 HE1 TRP 28 HE1 TRP 28 9.398 3.007 -9.008 218 HE3 TRP 28 HE3 TRP 28 4.556 2.455 -6.835 219 HZ2 TRP 28 HZ2 TRP 28 7.528 4.793 -10.125 220 HZ3 TRP 28 HZ3 TRP 28 3.664 4.222 -8.287 221 HH2 TRP 28 HH2 TRP 28 5.122 5.375 -9.910 222 H VAL 29 H VAL 29 8.498 -0.192 -3.156 223 HA VAL 29 HA VAL 29 6.396 -1.783 -2.086 224 HB VAL 29 HB VAL 29 9.320 -1.631 -1.342 225 1HG1 VAL 29 1HG1 VAL 29 7.183 -2.892 0.019 226 2HG1 VAL 29 2HG1 VAL 29 8.153 -4.154 -0.739 227 3HG1 VAL 29 3HG1 VAL 29 8.910 -2.998 0.356 228 1HG2 VAL 29 1HG2 VAL 29 7.821 -3.001 -3.462 229 2HG2 VAL 29 2HG2 VAL 29 9.525 -2.555 -3.380 230 3HG2 VAL 29 3HG2 VAL 29 8.957 -4.020 -2.578 231 H CYS 30 H CYS 30 8.631 0.597 -0.679 232 HA CYS 30 HA CYS 30 7.623 0.488 1.927 233 1HB CYS 30 1HB CYS 30 9.770 1.589 1.155 234 2HB CYS 30 2HB CYS 30 8.786 2.949 0.624 235 H ALA 31 H ALA 31 6.753 2.625 -0.791 236 HA ALA 31 HA ALA 31 4.898 4.203 0.587 237 1HB ALA 31 1HB ALA 31 5.941 4.465 -1.782 238 2HB ALA 31 2HB ALA 31 4.533 3.542 -2.304 239 3HB ALA 31 3HB ALA 31 4.319 5.081 -1.468 240 H ALA 32 H ALA 32 4.455 1.235 -1.306 241 HA ALA 32 HA ALA 32 1.644 1.128 -0.994 242 1HB ALA 32 1HB ALA 32 2.170 -0.215 -2.720 243 2HB ALA 32 2HB ALA 32 2.299 -1.449 -1.466 244 3HB ALA 32 3HB ALA 32 3.748 -0.632 -2.053 245 H LYS 33 H LYS 33 4.322 -0.374 0.795 246 HA LYS 33 HA LYS 33 2.950 -2.094 2.426 247 1HB LYS 33 1HB LYS 33 5.477 -1.637 2.244 248 2HB LYS 33 2HB LYS 33 5.206 -0.404 3.467 249 1HG LYS 33 1HG LYS 33 3.955 -2.770 4.371 250 2HG LYS 33 2HG LYS 33 5.568 -3.203 3.800 251 1HD LYS 33 1HD LYS 33 6.562 -2.178 5.524 252 2HD LYS 33 2HD LYS 33 5.539 -0.748 5.368 253 1HE LYS 33 1HE LYS 33 4.929 -1.541 7.446 254 2HE LYS 33 2HE LYS 33 3.707 -2.273 6.406 255 1HZ LYS 33 1HZ LYS 33 6.070 -3.883 6.697 256 2HZ LYS 33 2HZ LYS 33 5.278 -3.604 8.166 257 3HZ LYS 33 3HZ LYS 33 4.443 -4.310 6.874 258 H PHE 34 H PHE 34 3.767 1.289 3.234 259 HA PHE 34 HA PHE 34 2.135 1.196 5.554 260 1HB PHE 34 1HB PHE 34 3.838 3.175 4.283 261 2HB PHE 34 2HB PHE 34 2.566 3.818 5.303 262 HD1 PHE 34 HD1 PHE 34 2.488 3.153 7.700 263 HD2 PHE 34 HD2 PHE 34 5.767 2.157 5.177 264 HE1 PHE 34 HE1 PHE 34 3.872 2.703 9.684 265 HE2 PHE 34 HE2 PHE 34 7.158 1.706 7.156 266 HZ PHE 34 HZ PHE 34 6.210 1.978 9.413 267 H GLU 35 H GLU 35 1.586 2.111 2.267 268 HA GLU 35 HA GLU 35 -0.646 3.769 2.659 269 1HB GLU 35 1HB GLU 35 0.703 2.416 0.453 270 2HB GLU 35 2HB GLU 35 -1.036 2.512 0.225 271 1HG GLU 35 1HG GLU 35 -1.033 4.835 0.205 272 2HG GLU 35 2HG GLU 35 0.542 4.933 0.992 273 H SER 36 H SER 36 -0.466 0.343 1.731 274 HA SER 36 HA SER 36 -3.147 -0.043 2.896 275 1HB SER 36 1HB SER 36 -3.661 -1.550 0.971 276 2HB SER 36 2HB SER 36 -3.417 0.128 0.493 277 HG SER 36 HG SER 36 -1.580 -2.017 0.264 278 H ASN 37 H ASN 37 -0.010 -0.973 3.121 279 HA ASN 37 HA ASN 37 1.059 -2.764 4.048 280 1HB ASN 37 1HB ASN 37 -1.754 -3.212 5.021 281 2HB ASN 37 2HB ASN 37 -0.484 -4.379 5.375 282 2HD2 ASN 37 2HD2 ASN 37 -2.125 -2.106 6.799 283 1HD2 ASN 37 1HD2 ASN 37 -0.929 -1.383 7.813 284 H PHE 38 H PHE 38 -0.016 -2.804 1.360 285 HA PHE 38 HA PHE 38 -0.060 -4.087 -0.455 286 1HB PHE 38 1HB PHE 38 0.878 -6.340 1.331 287 2HB PHE 38 2HB PHE 38 0.991 -6.261 -0.423 288 HD1 PHE 38 HD1 PHE 38 1.914 -3.528 -0.867 289 HD2 PHE 38 HD2 PHE 38 3.076 -6.361 2.088 290 HE1 PHE 38 HE1 PHE 38 4.108 -2.434 -0.693 291 HE2 PHE 38 HE2 PHE 38 5.275 -5.270 2.269 292 HZ PHE 38 HZ PHE 38 5.796 -3.309 0.876 293 H ASN 39 H ASN 39 -2.371 -3.893 1.431 294 HA ASN 39 HA ASN 39 -3.747 -6.410 1.092 295 1HB ASN 39 1HB ASN 39 -4.126 -4.937 3.080 296 2HB ASN 39 2HB ASN 39 -4.870 -3.757 2.009 297 2HD2 ASN 39 2HD2 ASN 39 -5.173 -7.241 1.754 298 1HD2 ASN 39 1HD2 ASN 39 -6.863 -7.308 2.108 299 H THR 40 H THR 40 -4.547 -6.964 -0.773 300 HA THR 40 HA THR 40 -4.748 -5.285 -2.999 301 HB THR 40 HB THR 40 -5.346 -7.146 -4.185 302 HG1 THR 40 HG1 THR 40 -6.599 -8.848 -2.671 303 1HG2 THR 40 1HG2 THR 40 -3.697 -7.704 -1.984 304 2HG2 THR 40 2HG2 THR 40 -4.786 -9.081 -2.148 305 3HG2 THR 40 3HG2 THR 40 -3.788 -8.579 -3.512 306 H GLN 41 H GLN 41 -6.847 -5.907 -0.400 307 HA GLN 41 HA GLN 41 -9.115 -4.696 -1.801 308 1HB GLN 41 1HB GLN 41 -8.773 -6.774 0.261 309 2HB GLN 41 2HB GLN 41 -10.140 -5.715 0.466 310 1HG GLN 41 1HG GLN 41 -10.286 -6.391 -2.191 311 2HG GLN 41 2HG GLN 41 -9.709 -7.870 -1.425 312 2HE2 GLN 41 2HE2 GLN 41 -10.968 -8.692 0.386 313 1HE2 GLN 41 1HE2 GLN 41 -12.679 -8.456 0.393 314 H ALA 42 H ALA 42 -6.674 -3.701 0.122 315 HA ALA 42 HA ALA 42 -7.879 -2.410 2.280 316 1HB ALA 42 1HB ALA 42 -5.308 -2.200 0.871 317 2HB ALA 42 2HB ALA 42 -5.657 -2.376 2.589 318 3HB ALA 42 3HB ALA 42 -5.791 -0.795 1.820 319 H THR 43 H THR 43 -9.177 -0.762 2.455 320 HA THR 43 HA THR 43 -9.249 1.289 0.341 321 HB THR 43 HB THR 43 -11.560 1.403 0.386 322 HG1 THR 43 HG1 THR 43 -12.556 0.068 2.335 323 1HG2 THR 43 1HG2 THR 43 -10.864 -0.797 -0.496 324 2HG2 THR 43 2HG2 THR 43 -11.086 -1.491 1.109 325 3HG2 THR 43 3HG2 THR 43 -12.470 -0.844 0.230 326 H ASN 44 H ASN 44 -9.013 3.380 1.091 327 HA ASN 44 HA ASN 44 -9.212 3.776 4.004 328 1HB ASN 44 1HB ASN 44 -7.094 4.741 2.091 329 2HB ASN 44 2HB ASN 44 -7.357 5.511 3.654 330 2HD2 ASN 44 2HD2 ASN 44 -7.627 3.712 5.448 331 1HD2 ASN 44 1HD2 ASN 44 -6.340 2.561 5.476 332 H ARG 45 H ARG 45 -11.060 4.889 4.224 333 HA ARG 45 HA ARG 45 -11.826 6.929 2.323 334 1HB ARG 45 1HB ARG 45 -13.299 5.246 3.792 335 2HB ARG 45 2HB ARG 45 -13.280 6.615 4.895 336 1HG ARG 45 1HG ARG 45 -14.265 8.040 3.234 337 2HG ARG 45 2HG ARG 45 -14.143 6.770 2.015 338 1HD ARG 45 1HD ARG 45 -15.525 5.529 4.030 339 2HD ARG 45 2HD ARG 45 -16.136 7.181 4.114 340 HE ARG 45 HE ARG 45 -17.150 6.890 2.065 341 1HH1 ARG 45 1HH1 ARG 45 -15.027 4.208 2.732 342 2HH1 ARG 45 2HH1 ARG 45 -15.622 3.244 1.421 343 1HH2 ARG 45 1HH2 ARG 45 -17.939 5.628 0.338 344 2HH2 ARG 45 2HH2 ARG 45 -17.276 4.052 0.059 345 H ASN 46 H ASN 46 -11.430 9.030 2.484 346 HA ASN 46 HA ASN 46 -10.272 10.042 4.991 347 1HB ASN 46 1HB ASN 46 -10.134 11.508 2.378 348 2HB ASN 46 2HB ASN 46 -9.042 11.594 3.755 349 2HD2 ASN 46 2HD2 ASN 46 -8.208 9.200 4.268 350 1HD2 ASN 46 1HD2 ASN 46 -7.478 8.433 2.903 351 H THR 47 H THR 47 -10.644 12.538 5.161 352 HA THR 47 HA THR 47 -13.498 12.886 5.415 353 HB THR 47 HB THR 47 -12.901 15.074 6.451 354 HG1 THR 47 HG1 THR 47 -10.986 15.806 5.927 355 1HG2 THR 47 1HG2 THR 47 -11.959 12.440 7.406 356 2HG2 THR 47 2HG2 THR 47 -11.333 13.848 8.264 357 3HG2 THR 47 3HG2 THR 47 -13.074 13.585 8.153 358 H ASP 48 H ASP 48 -11.092 13.702 3.126 359 HA ASP 48 HA ASP 48 -12.310 16.056 2.072 360 1HB ASP 48 1HB ASP 48 -10.804 15.580 0.093 361 2HB ASP 48 2HB ASP 48 -9.992 15.777 1.642 362 H GLY 49 H GLY 49 -13.209 12.843 1.989 363 1HA GLY 49 1HA GLY 49 -14.997 13.375 -0.288 364 2HA GLY 49 2HA GLY 49 -15.314 12.230 1.006 365 H SER 50 H SER 50 -12.210 12.437 -0.587 366 HA SER 50 HA SER 50 -12.766 10.313 -2.441 367 1HB SER 50 1HB SER 50 -10.101 10.422 -2.536 368 2HB SER 50 2HB SER 50 -11.113 11.623 -3.337 369 HG SER 50 HG SER 50 -9.284 12.073 -1.536 370 H THR 51 H THR 51 -11.167 8.413 -2.493 371 HA THR 51 HA THR 51 -10.594 7.386 0.192 372 HB THR 51 HB THR 51 -11.917 5.540 -1.753 373 HG1 THR 51 HG1 THR 51 -13.368 7.280 -1.598 374 1HG2 THR 51 1HG2 THR 51 -10.818 5.058 0.622 375 2HG2 THR 51 2HG2 THR 51 -12.423 5.542 1.173 376 3HG2 THR 51 3HG2 THR 51 -12.244 4.188 0.056 377 H ASP 52 H ASP 52 -9.415 5.224 0.033 378 HA ASP 52 HA ASP 52 -7.588 5.243 -2.283 379 1HB ASP 52 1HB ASP 52 -6.924 4.547 0.586 380 2HB ASP 52 2HB ASP 52 -5.803 4.504 -0.771 381 H TYR 53 H TYR 53 -8.919 3.731 -3.332 382 HA TYR 53 HA TYR 53 -9.138 1.102 -2.080 383 1HB TYR 53 1HB TYR 53 -10.231 2.035 -4.741 384 2HB TYR 53 2HB TYR 53 -10.595 0.517 -3.934 385 HD1 TYR 53 HD1 TYR 53 -11.663 0.763 -1.539 386 HD2 TYR 53 HD2 TYR 53 -11.701 3.796 -4.517 387 HE1 TYR 53 HE1 TYR 53 -13.616 1.791 -0.456 388 HE2 TYR 53 HE2 TYR 53 -13.651 4.837 -3.441 389 HH TYR 53 HH TYR 53 -15.650 3.574 -1.639 390 H GLY 54 H GLY 54 -6.784 0.611 -2.234 391 1HA GLY 54 1HA GLY 54 -5.584 0.547 -4.824 392 2HA GLY 54 2HA GLY 54 -6.142 -1.045 -4.329 393 H ILE 55 H ILE 55 -3.831 -1.611 -4.467 394 HA ILE 55 HA ILE 55 -2.622 -1.586 -1.894 395 HB ILE 55 HB ILE 55 -2.247 -3.395 -3.607 396 1HG1 ILE 55 1HG1 ILE 55 0.346 -2.112 -2.738 397 2HG1 ILE 55 2HG1 ILE 55 -0.737 -2.928 -1.615 398 1HG2 ILE 55 1HG2 ILE 55 -0.680 -1.202 -4.933 399 2HG2 ILE 55 2HG2 ILE 55 -0.393 -2.911 -5.261 400 3HG2 ILE 55 3HG2 ILE 55 -1.968 -2.198 -5.613 401 1HD1 ILE 55 1HD1 ILE 55 -0.521 -4.965 -3.082 402 2HD1 ILE 55 2HD1 ILE 55 0.782 -4.114 -3.913 403 3HD1 ILE 55 3HD1 ILE 55 0.927 -4.486 -2.195 404 H LEU 56 H LEU 56 -2.441 0.367 -4.744 405 HA LEU 56 HA LEU 56 -0.312 2.009 -3.561 406 1HB LEU 56 1HB LEU 56 -0.811 1.183 -6.247 407 2HB LEU 56 2HB LEU 56 -1.052 2.917 -6.178 408 HG LEU 56 HG LEU 56 1.201 2.791 -6.745 409 1HD1 LEU 56 1HD1 LEU 56 0.769 4.010 -4.536 410 2HD1 LEU 56 2HD1 LEU 56 1.526 2.617 -3.765 411 3HD1 LEU 56 3HD1 LEU 56 2.434 3.581 -4.929 412 1HD2 LEU 56 1HD2 LEU 56 1.451 0.440 -4.862 413 2HD2 LEU 56 2HD2 LEU 56 1.365 0.363 -6.623 414 3HD2 LEU 56 3HD2 LEU 56 2.750 1.124 -5.840 415 H GLN 57 H GLN 57 -3.460 1.738 -3.286 416 HA GLN 57 HA GLN 57 -5.109 3.091 -2.570 417 1HB GLN 57 1HB GLN 57 -2.985 5.233 -2.717 418 2HB GLN 57 2HB GLN 57 -4.586 5.463 -2.025 419 1HG GLN 57 1HG GLN 57 -3.914 3.405 -0.557 420 2HG GLN 57 2HG GLN 57 -2.277 3.898 -0.987 421 2HE2 GLN 57 2HE2 GLN 57 -4.251 4.044 1.450 422 1HE2 GLN 57 1HE2 GLN 57 -3.937 5.623 2.077 423 H ILE 58 H ILE 58 -6.070 2.575 -4.732 424 HA ILE 58 HA ILE 58 -5.832 4.679 -6.702 425 HB ILE 58 HB ILE 58 -7.345 2.074 -6.664 426 1HG1 ILE 58 1HG1 ILE 58 -5.821 1.665 -8.654 427 2HG1 ILE 58 2HG1 ILE 58 -4.976 3.143 -8.204 428 1HG2 ILE 58 1HG2 ILE 58 -7.359 4.202 -8.800 429 2HG2 ILE 58 2HG2 ILE 58 -7.979 2.564 -9.002 430 3HG2 ILE 58 3HG2 ILE 58 -8.736 3.657 -7.843 431 1HD1 ILE 58 1HD1 ILE 58 -4.966 1.794 -5.854 432 2HD1 ILE 58 2HD1 ILE 58 -4.871 0.473 -7.020 433 3HD1 ILE 58 3HD1 ILE 58 -3.665 1.759 -7.045 434 H ASN 59 H ASN 59 -6.784 6.488 -5.983 435 HA ASN 59 HA ASN 59 -9.169 6.607 -4.503 436 1HB ASN 59 1HB ASN 59 -7.586 8.477 -4.589 437 2HB ASN 59 2HB ASN 59 -7.896 8.679 -6.312 438 2HD2 ASN 59 2HD2 ASN 59 -8.373 10.889 -5.585 439 1HD2 ASN 59 1HD2 ASN 59 -9.975 11.249 -5.048 440 H SER 60 H SER 60 -10.953 5.580 -5.326 441 HA SER 60 HA SER 60 -11.551 5.442 -8.079 442 1HB SER 60 1HB SER 60 -13.425 4.236 -7.447 443 2HB SER 60 2HB SER 60 -12.380 4.001 -6.046 444 HG SER 60 HG SER 60 -14.593 4.645 -5.574 445 H ARG 61 H ARG 61 -12.086 7.924 -5.733 446 HA ARG 61 HA ARG 61 -14.277 9.125 -7.207 447 1HB ARG 61 1HB ARG 61 -13.757 9.172 -4.608 448 2HB ARG 61 2HB ARG 61 -12.802 10.580 -5.057 449 1HG ARG 61 1HG ARG 61 -15.312 10.841 -6.323 450 2HG ARG 61 2HG ARG 61 -15.610 10.376 -4.647 451 1HD ARG 61 1HD ARG 61 -14.903 12.350 -3.855 452 2HD ARG 61 2HD ARG 61 -13.531 12.408 -4.960 453 HE ARG 61 HE ARG 61 -16.023 12.905 -6.273 454 1HH1 ARG 61 1HH1 ARG 61 -13.502 14.358 -4.355 455 2HH1 ARG 61 2HH1 ARG 61 -13.800 15.960 -4.944 456 1HH2 ARG 61 1HH2 ARG 61 -16.422 15.010 -7.053 457 2HH2 ARG 61 2HH2 ARG 61 -15.461 16.330 -6.477 458 H TRP 62 H TRP 62 -11.441 8.755 -8.247 459 HA TRP 62 HA TRP 62 -11.325 11.264 -9.633 460 1HB TRP 62 1HB TRP 62 -9.953 11.225 -7.265 461 2HB TRP 62 2HB TRP 62 -8.702 10.776 -8.419 462 HD1 TRP 62 HD1 TRP 62 -8.301 12.584 -10.485 463 HE1 TRP 62 HE1 TRP 62 -8.476 15.152 -10.446 464 HE3 TRP 62 HE3 TRP 62 -11.113 13.144 -6.251 465 HZ2 TRP 62 HZ2 TRP 62 -9.649 17.150 -8.834 466 HZ3 TRP 62 HZ3 TRP 62 -11.718 15.418 -5.530 467 HH2 TRP 62 HH2 TRP 62 -11.000 17.378 -6.795 468 H TRP 63 H TRP 63 -10.716 7.964 -9.520 469 HA TRP 63 HA TRP 63 -9.137 8.171 -11.983 470 1HB TRP 63 1HB TRP 63 -8.624 6.308 -9.664 471 2HB TRP 63 2HB TRP 63 -7.905 6.099 -11.258 472 HD1 TRP 63 HD1 TRP 63 -6.783 7.264 -8.114 473 HE1 TRP 63 HE1 TRP 63 -5.012 9.130 -8.314 474 HE3 TRP 63 HE3 TRP 63 -7.589 8.603 -12.951 475 HZ2 TRP 63 HZ2 TRP 63 -4.094 10.947 -10.293 476 HZ3 TRP 63 HZ3 TRP 63 -6.274 10.406 -13.935 477 HH2 TRP 63 HH2 TRP 63 -4.540 11.560 -12.636 478 H CYS 64 H CYS 64 -10.620 5.584 -10.047 479 HA CYS 64 HA CYS 64 -11.643 4.451 -12.539 480 1HB CYS 64 1HB CYS 64 -11.784 2.372 -11.475 481 2HB CYS 64 2HB CYS 64 -10.342 3.094 -10.775 482 H ASN 65 H ASN 65 -13.751 3.460 -12.597 483 HA ASN 65 HA ASN 65 -15.735 5.221 -11.327 484 1HB ASN 65 1HB ASN 65 -15.759 5.154 -13.785 485 2HB ASN 65 2HB ASN 65 -16.011 3.411 -13.737 486 2HD2 ASN 65 2HD2 ASN 65 -17.420 6.389 -12.420 487 1HD2 ASN 65 1HD2 ASN 65 -19.066 5.907 -12.635 488 H ASP 66 H ASP 66 -16.617 4.423 -9.544 489 HA ASP 66 HA ASP 66 -16.972 1.522 -9.295 490 1HB ASP 66 1HB ASP 66 -17.134 1.862 -6.920 491 2HB ASP 66 2HB ASP 66 -15.734 2.756 -7.503 492 H GLY 67 H GLY 67 -18.707 4.395 -9.869 493 1HA GLY 67 1HA GLY 67 -21.181 2.961 -10.063 494 2HA GLY 67 2HA GLY 67 -20.943 4.674 -10.365 495 H ARG 68 H ARG 68 -19.734 3.761 -7.348 496 HA ARG 68 HA ARG 68 -22.269 4.289 -5.981 497 1HB ARG 68 1HB ARG 68 -19.964 2.667 -5.413 498 2HB ARG 68 2HB ARG 68 -20.226 3.802 -4.096 499 1HG ARG 68 1HG ARG 68 -21.968 2.653 -3.341 500 2HG ARG 68 2HG ARG 68 -22.703 2.578 -4.944 501 1HD ARG 68 1HD ARG 68 -21.151 0.714 -5.499 502 2HD ARG 68 2HD ARG 68 -20.588 0.742 -3.828 503 HE ARG 68 HE ARG 68 -22.533 -0.297 -3.180 504 1HH1 ARG 68 1HH1 ARG 68 -22.841 0.810 -6.469 505 2HH1 ARG 68 2HH1 ARG 68 -24.324 -0.039 -6.752 506 1HH2 ARG 68 1HH2 ARG 68 -24.484 -1.418 -3.543 507 2HH2 ARG 68 2HH2 ARG 68 -25.259 -1.305 -5.089 508 H THR 69 H THR 69 -19.720 6.017 -7.128 509 HA THR 69 HA THR 69 -20.186 8.158 -5.175 510 HB THR 69 HB THR 69 -17.424 7.833 -6.268 511 HG1 THR 69 HG1 THR 69 -17.720 6.721 -3.792 512 1HG2 THR 69 1HG2 THR 69 -18.621 9.683 -4.652 513 2HG2 THR 69 2HG2 THR 69 -17.874 8.604 -3.474 514 3HG2 THR 69 3HG2 THR 69 -16.885 9.372 -4.718 515 HA PRO 70 HA PRO 70 -20.849 9.998 -9.273 516 1HB PRO 70 1HB PRO 70 -22.179 12.179 -8.349 517 2HB PRO 70 2HB PRO 70 -22.953 10.607 -8.580 518 1HG PRO 70 1HG PRO 70 -21.906 11.850 -6.066 519 2HG PRO 70 2HG PRO 70 -23.418 10.964 -6.329 520 1HD PRO 70 1HD PRO 70 -21.246 9.819 -5.197 521 2HD PRO 70 2HD PRO 70 -22.382 8.907 -6.213 522 H GLY 71 H GLY 71 -20.126 11.958 -10.287 523 1HA GLY 71 1HA GLY 71 -18.587 13.880 -8.799 524 2HA GLY 71 2HA GLY 71 -18.791 13.832 -10.544 525 H SER 72 H SER 72 -17.896 10.832 -10.061 526 HA SER 72 HA SER 72 -15.141 11.032 -9.382 527 1HB SER 72 1HB SER 72 -15.000 8.701 -10.124 528 2HB SER 72 2HB SER 72 -16.428 8.940 -9.116 529 HG SER 72 HG SER 72 -16.669 7.731 -11.182 530 H ARG 73 H ARG 73 -13.421 11.418 -10.614 531 HA ARG 73 HA ARG 73 -13.644 12.601 -13.142 532 1HB ARG 73 1HB ARG 73 -11.396 11.599 -11.470 533 2HB ARG 73 2HB ARG 73 -11.067 11.890 -13.172 534 1HG ARG 73 1HG ARG 73 -12.502 14.065 -11.842 535 2HG ARG 73 2HG ARG 73 -10.887 13.753 -11.203 536 1HD ARG 73 1HD ARG 73 -9.949 13.950 -13.442 537 2HD ARG 73 2HD ARG 73 -11.560 14.212 -14.107 538 HE ARG 73 HE ARG 73 -10.020 16.098 -12.479 539 1HH1 ARG 73 1HH1 ARG 73 -12.868 15.361 -14.347 540 2HH1 ARG 73 2HH1 ARG 73 -13.369 17.013 -14.473 541 1HH2 ARG 73 1HH2 ARG 73 -10.674 18.276 -12.639 542 2HH2 ARG 73 2HH2 ARG 73 -12.122 18.671 -13.502 543 H ASN 74 H ASN 74 -12.935 9.303 -12.175 544 HA ASN 74 HA ASN 74 -12.735 7.334 -13.321 545 1HB ASN 74 1HB ASN 74 -15.136 7.980 -13.769 546 2HB ASN 74 2HB ASN 74 -14.605 8.664 -15.302 547 2HD2 ASN 74 2HD2 ASN 74 -13.175 5.800 -13.931 548 1HD2 ASN 74 1HD2 ASN 74 -13.810 4.688 -15.091 549 H LEU 75 H LEU 75 -10.913 9.531 -13.918 550 HA LEU 75 HA LEU 75 -10.230 9.834 -16.573 551 1HB LEU 75 1HB LEU 75 -8.867 9.841 -13.943 552 2HB LEU 75 2HB LEU 75 -7.834 9.760 -15.354 553 HG LEU 75 HG LEU 75 -9.863 11.901 -14.658 554 1HD1 LEU 75 1HD1 LEU 75 -7.778 12.057 -13.403 555 2HD1 LEU 75 2HD1 LEU 75 -6.856 12.032 -14.907 556 3HD1 LEU 75 3HD1 LEU 75 -7.926 13.388 -14.550 557 1HD2 LEU 75 1HD2 LEU 75 -8.119 11.676 -17.116 558 2HD2 LEU 75 2HD2 LEU 75 -9.876 11.533 -17.062 559 3HD2 LEU 75 3HD2 LEU 75 -9.104 13.073 -16.682 560 H CYS 76 H CYS 76 -8.346 7.937 -14.416 561 HA CYS 76 HA CYS 76 -6.916 6.298 -15.883 562 1HB CYS 76 1HB CYS 76 -7.761 6.472 -13.297 563 2HB CYS 76 2HB CYS 76 -8.298 4.867 -13.766 564 H ASN 77 H ASN 77 -10.385 6.001 -15.450 565 HA ASN 77 HA ASN 77 -11.953 4.576 -16.296 566 1HB ASN 77 1HB ASN 77 -9.949 4.877 -18.501 567 2HB ASN 77 2HB ASN 77 -11.265 3.723 -18.697 568 2HD2 ASN 77 2HD2 ASN 77 -13.416 4.836 -17.738 569 1HD2 ASN 77 1HD2 ASN 77 -13.771 6.348 -18.493 570 H ILE 78 H ILE 78 -10.761 3.294 -14.422 571 HA ILE 78 HA ILE 78 -10.040 0.683 -15.548 572 HB ILE 78 HB ILE 78 -8.283 0.424 -14.179 573 1HG1 ILE 78 1HG1 ILE 78 -10.131 1.517 -12.157 574 2HG1 ILE 78 2HG1 ILE 78 -8.991 0.183 -12.034 575 1HG2 ILE 78 1HG2 ILE 78 -7.990 2.604 -15.306 576 2HG2 ILE 78 2HG2 ILE 78 -8.589 3.398 -13.850 577 3HG2 ILE 78 3HG2 ILE 78 -7.090 2.470 -13.795 578 1HD1 ILE 78 1HD1 ILE 78 -7.177 1.931 -11.846 579 2HD1 ILE 78 2HD1 ILE 78 -8.471 3.113 -11.654 580 3HD1 ILE 78 3HD1 ILE 78 -8.292 1.805 -10.485 581 HA PRO 79 HA PRO 79 -13.345 -1.006 -13.125 582 1HB PRO 79 1HB PRO 79 -11.956 -3.540 -12.869 583 2HB PRO 79 2HB PRO 79 -13.339 -3.146 -13.889 584 1HG PRO 79 1HG PRO 79 -10.858 -3.710 -14.874 585 2HG PRO 79 2HG PRO 79 -12.029 -2.669 -15.703 586 1HD PRO 79 1HD PRO 79 -9.653 -1.909 -14.045 587 2HD PRO 79 2HD PRO 79 -10.256 -1.186 -15.553 588 H CYS 80 H CYS 80 -13.515 -0.320 -11.073 589 HA CYS 80 HA CYS 80 -11.438 -0.221 -9.219 590 1HB CYS 80 1HB CYS 80 -14.368 -0.320 -8.520 591 2HB CYS 80 2HB CYS 80 -13.071 0.461 -7.620 592 H SER 81 H SER 81 -14.256 -2.421 -9.123 593 HA SER 81 HA SER 81 -13.282 -3.992 -7.010 594 1HB SER 81 1HB SER 81 -14.913 -5.746 -8.084 595 2HB SER 81 2HB SER 81 -15.557 -4.266 -7.374 596 HG SER 81 HG SER 81 -15.499 -5.087 -10.002 597 H ALA 82 H ALA 82 -12.416 -3.990 -10.358 598 HA ALA 82 HA ALA 82 -11.294 -6.675 -10.230 599 1HB ALA 82 1HB ALA 82 -12.439 -5.693 -12.284 600 2HB ALA 82 2HB ALA 82 -10.966 -4.749 -12.510 601 3HB ALA 82 3HB ALA 82 -10.897 -6.511 -12.536 602 H LEU 83 H LEU 83 -10.346 -3.457 -9.677 603 HA LEU 83 HA LEU 83 -7.510 -3.971 -10.078 604 1HB LEU 83 1HB LEU 83 -7.213 -1.732 -10.057 605 2HB LEU 83 2HB LEU 83 -8.934 -1.713 -10.379 606 HG LEU 83 HG LEU 83 -8.979 -1.686 -7.680 607 1HD1 LEU 83 1HD1 LEU 83 -6.306 -0.745 -8.515 608 2HD1 LEU 83 2HD1 LEU 83 -7.157 0.241 -7.326 609 3HD1 LEU 83 3HD1 LEU 83 -6.836 -1.460 -6.993 610 1HD2 LEU 83 1HD2 LEU 83 -9.809 -0.061 -9.621 611 2HD2 LEU 83 2HD2 LEU 83 -9.829 0.403 -7.920 612 3HD2 LEU 83 3HD2 LEU 83 -8.514 0.939 -8.965 613 H LEU 84 H LEU 84 -9.748 -4.619 -7.777 614 HA LEU 84 HA LEU 84 -7.868 -4.356 -5.539 615 1HB LEU 84 1HB LEU 84 -10.822 -4.955 -5.463 616 2HB LEU 84 2HB LEU 84 -9.797 -4.584 -4.093 617 HG LEU 84 HG LEU 84 -10.653 -2.726 -6.295 618 1HD1 LEU 84 1HD1 LEU 84 -11.992 -3.335 -4.080 619 2HD1 LEU 84 2HD1 LEU 84 -10.928 -2.094 -3.420 620 3HD1 LEU 84 3HD1 LEU 84 -11.991 -1.714 -4.775 621 1HD2 LEU 84 1HD2 LEU 84 -8.221 -2.683 -4.787 622 2HD2 LEU 84 2HD2 LEU 84 -8.785 -1.559 -6.022 623 3HD2 LEU 84 3HD2 LEU 84 -9.224 -1.305 -4.334 624 H SER 85 H SER 85 -8.624 -6.524 -7.802 625 HA SER 85 HA SER 85 -9.068 -8.922 -6.350 626 1HB SER 85 1HB SER 85 -8.005 -8.376 -9.122 627 2HB SER 85 2HB SER 85 -8.241 -10.007 -8.493 628 HG SER 85 HG SER 85 -10.041 -8.400 -9.586 629 H SER 86 H SER 86 -7.262 -10.716 -7.123 630 HA SER 86 HA SER 86 -5.036 -10.151 -5.377 631 1HB SER 86 1HB SER 86 -4.455 -12.471 -5.634 632 2HB SER 86 2HB SER 86 -6.210 -12.383 -5.480 633 HG SER 86 HG SER 86 -5.926 -12.228 -7.983 634 H ASP 87 H ASP 87 -5.379 -8.735 -7.965 635 HA ASP 87 HA ASP 87 -2.721 -9.300 -9.083 636 1HB ASP 87 1HB ASP 87 -4.425 -10.140 -10.616 637 2HB ASP 87 2HB ASP 87 -5.233 -8.578 -10.599 638 H ILE 88 H ILE 88 -1.412 -7.599 -8.837 639 HA ILE 88 HA ILE 88 -2.480 -5.021 -8.125 640 HB ILE 88 HB ILE 88 0.114 -4.472 -8.396 641 1HG1 ILE 88 1HG1 ILE 88 0.391 -7.289 -7.482 642 2HG1 ILE 88 2HG1 ILE 88 0.244 -7.013 -9.216 643 1HG2 ILE 88 1HG2 ILE 88 -1.629 -5.121 -6.296 644 2HG2 ILE 88 2HG2 ILE 88 -0.119 -5.973 -5.975 645 3HG2 ILE 88 3HG2 ILE 88 -0.112 -4.224 -6.210 646 1HD1 ILE 88 1HD1 ILE 88 2.138 -5.187 -8.074 647 2HD1 ILE 88 2HD1 ILE 88 2.544 -6.851 -7.651 648 3HD1 ILE 88 3HD1 ILE 88 2.360 -6.391 -9.344 649 H THR 89 H THR 89 -1.947 -6.527 -11.054 650 HA THR 89 HA THR 89 -0.687 -4.702 -12.667 651 HB THR 89 HB THR 89 -3.125 -6.349 -13.369 652 HG1 THR 89 HG1 THR 89 -0.863 -7.229 -12.641 653 1HG2 THR 89 1HG2 THR 89 -2.747 -4.553 -14.993 654 2HG2 THR 89 2HG2 THR 89 -1.067 -5.061 -15.168 655 3HG2 THR 89 3HG2 THR 89 -2.370 -6.129 -15.689 656 H ALA 90 H ALA 90 -4.183 -4.758 -11.918 657 HA ALA 90 HA ALA 90 -4.796 -2.460 -13.344 658 1HB ALA 90 1HB ALA 90 -6.190 -3.990 -11.204 659 2HB ALA 90 2HB ALA 90 -6.857 -2.469 -11.798 660 3HB ALA 90 3HB ALA 90 -6.608 -3.817 -12.908 661 H SER 91 H SER 91 -4.222 -2.896 -9.848 662 HA SER 91 HA SER 91 -4.623 -0.216 -9.110 663 1HB SER 91 1HB SER 91 -2.587 -1.674 -7.563 664 2HB SER 91 2HB SER 91 -4.087 -0.920 -7.023 665 HG SER 91 HG SER 91 -3.622 -3.513 -7.951 666 H VAL 92 H VAL 92 -1.842 -1.880 -10.367 667 HA VAL 92 HA VAL 92 -0.105 0.364 -9.862 668 HB VAL 92 HB VAL 92 0.405 -2.172 -11.421 669 1HG1 VAL 92 1HG1 VAL 92 2.264 0.137 -10.823 670 2HG1 VAL 92 2HG1 VAL 92 2.785 -1.432 -11.440 671 3HG1 VAL 92 3HG1 VAL 92 1.728 -0.408 -12.411 672 1HG2 VAL 92 1HG2 VAL 92 0.734 -1.346 -8.630 673 2HG2 VAL 92 2HG2 VAL 92 0.641 -2.961 -9.332 674 3HG2 VAL 92 3HG2 VAL 92 2.171 -2.084 -9.337 675 H ASN 93 H ASN 93 -1.895 -0.913 -12.621 676 HA ASN 93 HA ASN 93 -0.692 0.572 -14.570 677 1HB ASN 93 1HB ASN 93 -2.104 -0.655 -15.747 678 2HB ASN 93 2HB ASN 93 -2.989 -1.035 -14.295 679 2HD2 ASN 93 2HD2 ASN 93 -4.915 -0.066 -13.897 680 1HD2 ASN 93 1HD2 ASN 93 -5.673 1.046 -14.980 681 H CYS 94 H CYS 94 -3.302 1.309 -12.382 682 HA CYS 94 HA CYS 94 -3.915 3.860 -13.427 683 1HB CYS 94 1HB CYS 94 -5.201 2.308 -11.708 684 2HB CYS 94 2HB CYS 94 -4.322 3.281 -10.530 685 H ALA 95 H ALA 95 -1.878 2.813 -10.682 686 HA ALA 95 HA ALA 95 -1.076 5.473 -10.050 687 1HB ALA 95 1HB ALA 95 -0.873 3.218 -8.688 688 2HB ALA 95 2HB ALA 95 0.753 3.266 -9.372 689 3HB ALA 95 3HB ALA 95 0.169 4.611 -8.393 690 H LYS 96 H LYS 96 0.107 3.023 -12.230 691 HA LYS 96 HA LYS 96 2.640 3.974 -12.816 692 1HB LYS 96 1HB LYS 96 0.568 2.454 -14.318 693 2HB LYS 96 2HB LYS 96 1.851 3.189 -15.269 694 1HG LYS 96 1HG LYS 96 3.473 2.036 -13.691 695 2HG LYS 96 2HG LYS 96 2.084 1.109 -13.121 696 1HD LYS 96 1HD LYS 96 2.460 1.250 -16.050 697 2HD LYS 96 2HD LYS 96 3.656 0.317 -15.149 698 1HE LYS 96 1HE LYS 96 0.936 -0.232 -14.288 699 2HE LYS 96 2HE LYS 96 1.181 -0.573 -16.000 700 1HZ LYS 96 1HZ LYS 96 3.378 -1.569 -14.582 701 2HZ LYS 96 2HZ LYS 96 1.976 -2.106 -13.801 702 3HZ LYS 96 3HZ LYS 96 2.207 -2.436 -15.443 703 H LYS 97 H LYS 97 -0.531 4.893 -13.823 704 HA LYS 97 HA LYS 97 0.291 7.032 -15.587 705 1HB LYS 97 1HB LYS 97 -2.150 5.639 -15.002 706 2HB LYS 97 2HB LYS 97 -2.421 7.367 -14.824 707 1HG LYS 97 1HG LYS 97 -1.026 7.247 -17.169 708 2HG LYS 97 2HG LYS 97 -1.990 5.770 -17.227 709 1HD LYS 97 1HD LYS 97 -4.015 6.964 -17.045 710 2HD LYS 97 2HD LYS 97 -3.189 8.443 -16.548 711 1HE LYS 97 1HE LYS 97 -3.909 8.654 -18.843 712 2HE LYS 97 2HE LYS 97 -2.149 8.572 -18.783 713 1HZ LYS 97 1HZ LYS 97 -3.369 5.996 -19.069 714 2HZ LYS 97 2HZ LYS 97 -3.765 7.038 -20.341 715 3HZ LYS 97 3HZ LYS 97 -2.142 6.715 -19.985 716 H ILE 98 H ILE 98 -0.669 6.614 -12.255 717 HA ILE 98 HA ILE 98 -1.188 9.278 -11.590 718 HB ILE 98 HB ILE 98 -0.211 6.997 -9.909 719 1HG1 ILE 98 1HG1 ILE 98 -2.875 8.439 -10.009 720 2HG1 ILE 98 2HG1 ILE 98 -2.534 6.920 -10.831 721 1HG2 ILE 98 1HG2 ILE 98 -0.723 9.850 -9.157 722 2HG2 ILE 98 2HG2 ILE 98 -0.972 8.549 -7.992 723 3HG2 ILE 98 3HG2 ILE 98 0.622 8.802 -8.704 724 1HD1 ILE 98 1HD1 ILE 98 -1.822 6.620 -8.103 725 2HD1 ILE 98 2HD1 ILE 98 -3.431 7.337 -8.183 726 3HD1 ILE 98 3HD1 ILE 98 -3.102 5.813 -9.007 727 H VAL 99 H VAL 99 1.752 7.374 -11.322 728 HA VAL 99 HA VAL 99 3.397 9.554 -10.498 729 HB VAL 99 HB VAL 99 3.845 7.151 -9.947 730 1HG1 VAL 99 1HG1 VAL 99 4.675 7.047 -12.843 731 2HG1 VAL 99 2HG1 VAL 99 5.065 5.817 -11.642 732 3HG1 VAL 99 3HG1 VAL 99 3.383 6.126 -12.073 733 1HG2 VAL 99 1HG2 VAL 99 5.748 9.162 -10.842 734 2HG2 VAL 99 2HG2 VAL 99 5.760 8.155 -9.394 735 3HG2 VAL 99 3HG2 VAL 99 6.397 7.523 -10.912 736 H SER 100 H SER 100 2.316 8.351 -13.551 737 HA SER 100 HA SER 100 4.496 9.563 -15.038 738 1HB SER 100 1HB SER 100 3.435 7.448 -15.811 739 2HB SER 100 2HB SER 100 1.928 8.330 -16.064 740 HG SER 100 HG SER 100 2.841 8.461 -18.004 741 H ASP 101 H ASP 101 1.633 10.581 -13.635 742 HA ASP 101 HA ASP 101 1.818 13.161 -14.910 743 1HB ASP 101 1HB ASP 101 0.093 11.323 -16.078 744 2HB ASP 101 2HB ASP 101 -0.961 12.305 -15.065 745 H GLY 102 H GLY 102 2.298 13.734 -12.717 746 1HA GLY 102 1HA GLY 102 0.165 13.420 -10.754 747 2HA GLY 102 2HA GLY 102 0.524 15.062 -11.266 748 H ASN 103 H ASN 103 1.630 12.300 -9.480 749 HA ASN 103 HA ASN 103 4.125 13.572 -8.714 750 1HB ASN 103 1HB ASN 103 1.788 13.241 -6.850 751 2HB ASN 103 2HB ASN 103 3.438 13.210 -6.234 752 2HD2 ASN 103 2HD2 ASN 103 4.766 15.084 -7.448 753 1HD2 ASN 103 1HD2 ASN 103 4.038 16.640 -7.267 754 H GLY 104 H GLY 104 5.597 12.127 -7.692 755 1HA GLY 104 1HA GLY 104 6.603 10.061 -7.633 756 2HA GLY 104 2HA GLY 104 5.196 9.396 -8.445 757 H MET 105 H MET 105 6.964 9.028 -5.799 758 HA MET 105 HA MET 105 4.913 7.621 -4.377 759 1HB MET 105 1HB MET 105 7.550 8.196 -3.112 760 2HB MET 105 2HB MET 105 6.617 6.706 -3.127 761 1HG MET 105 1HG MET 105 8.292 7.819 -5.360 762 2HG MET 105 2HG MET 105 8.628 6.391 -4.382 763 1HE MET 105 1HE MET 105 6.442 4.984 -3.912 764 2HE MET 105 2HE MET 105 4.987 5.288 -4.859 765 3HE MET 105 3HE MET 105 6.024 3.918 -5.253 766 H ASN 106 H ASN 106 5.948 10.777 -4.532 767 HA ASN 106 HA ASN 106 5.615 11.551 -1.811 768 1HB ASN 106 1HB ASN 106 6.135 12.861 -4.422 769 2HB ASN 106 2HB ASN 106 5.425 13.854 -3.167 770 2HD2 ASN 106 2HD2 ASN 106 8.248 12.824 -4.487 771 1HD2 ASN 106 1HD2 ASN 106 9.316 13.133 -3.165 772 H ALA 107 H ALA 107 3.537 11.224 -4.600 773 HA ALA 107 HA ALA 107 1.436 12.907 -3.933 774 1HB ALA 107 1HB ALA 107 1.836 11.358 -6.002 775 2HB ALA 107 2HB ALA 107 0.195 11.784 -5.515 776 3HB ALA 107 3HB ALA 107 0.863 10.211 -5.080 777 H TRP 108 H TRP 108 1.970 9.536 -2.975 778 HA TRP 108 HA TRP 108 -0.360 9.505 -1.298 779 1HB TRP 108 1HB TRP 108 1.883 7.493 -1.566 780 2HB TRP 108 2HB TRP 108 0.353 7.223 -0.734 781 HD1 TRP 108 HD1 TRP 108 -1.883 7.132 -2.308 782 HE1 TRP 108 HE1 TRP 108 -2.166 6.439 -4.772 783 HE3 TRP 108 HE3 TRP 108 2.989 7.470 -3.811 784 HZ2 TRP 108 HZ2 TRP 108 -0.535 6.079 -7.061 785 HZ3 TRP 108 HZ3 TRP 108 3.544 6.940 -6.145 786 HH2 TRP 108 HH2 TRP 108 1.821 6.256 -7.734 787 H VAL 109 H VAL 109 -0.475 9.633 0.863 788 HA VAL 109 HA VAL 109 1.579 11.083 2.214 789 HB VAL 109 HB VAL 109 -0.664 9.978 3.691 790 1HG1 VAL 109 1HG1 VAL 109 1.221 11.811 4.268 791 2HG1 VAL 109 2HG1 VAL 109 -0.088 12.854 3.711 792 3HG1 VAL 109 3HG1 VAL 109 -0.356 11.744 5.055 793 1HG2 VAL 109 1HG2 VAL 109 -0.944 11.783 1.349 794 2HG2 VAL 109 2HG2 VAL 109 -2.006 10.487 1.900 795 3HG2 VAL 109 3HG2 VAL 109 -1.992 12.036 2.745 796 H ALA 110 H ALA 110 0.850 7.733 2.027 797 HA ALA 110 HA ALA 110 1.859 7.055 4.619 798 1HB ALA 110 1HB ALA 110 1.578 5.254 2.216 799 2HB ALA 110 2HB ALA 110 1.709 4.764 3.906 800 3HB ALA 110 3HB ALA 110 0.273 5.620 3.345 801 H TRP 111 H TRP 111 3.202 7.454 1.435 802 HA TRP 111 HA TRP 111 5.757 6.336 2.185 803 1HB TRP 111 1HB TRP 111 5.026 6.159 -0.144 804 2HB TRP 111 2HB TRP 111 4.946 7.907 -0.275 805 HD1 TRP 111 HD1 TRP 111 7.357 5.011 -0.458 806 HE1 TRP 111 HE1 TRP 111 9.680 5.874 -1.156 807 HE3 TRP 111 HE3 TRP 111 6.521 10.039 -0.035 808 HZ2 TRP 111 HZ2 TRP 111 10.986 8.354 -1.481 809 HZ3 TRP 111 HZ3 TRP 111 8.360 11.587 -0.558 810 HH2 TRP 111 HH2 TRP 111 10.546 10.760 -1.265 811 H ARG 112 H ARG 112 4.205 9.485 1.982 812 HA ARG 112 HA ARG 112 6.682 10.853 2.682 813 1HB ARG 112 1HB ARG 112 4.071 11.592 1.582 814 2HB ARG 112 2HB ARG 112 4.695 12.724 2.773 815 1HG ARG 112 1HG ARG 112 6.880 12.565 1.352 816 2HG ARG 112 2HG ARG 112 5.778 12.005 0.093 817 1HD ARG 112 1HD ARG 112 4.994 14.062 -0.261 818 2HD ARG 112 2HD ARG 112 4.753 14.342 1.464 819 HE ARG 112 HE ARG 112 7.321 14.737 1.375 820 1HH1 ARG 112 1HH1 ARG 112 4.979 15.662 -1.033 821 2HH1 ARG 112 2HH1 ARG 112 5.891 17.029 -1.581 822 1HH2 ARG 112 1HH2 ARG 112 8.529 16.535 0.659 823 2HH2 ARG 112 2HH2 ARG 112 7.909 17.524 -0.620 824 H ASN 113 H ASN 113 6.012 9.116 4.631 825 HA ASN 113 HA ASN 113 5.504 10.886 6.853 826 1HB ASN 113 1HB ASN 113 3.245 9.937 6.033 827 2HB ASN 113 2HB ASN 113 3.804 8.407 6.704 828 2HD2 ASN 113 2HD2 ASN 113 3.699 11.827 7.658 829 1HD2 ASN 113 1HD2 ASN 113 3.123 11.536 9.260 830 H ARG 114 H ARG 114 5.643 7.422 6.072 831 HA ARG 114 HA ARG 114 7.651 7.117 8.206 832 1HB ARG 114 1HB ARG 114 5.347 5.456 7.358 833 2HB ARG 114 2HB ARG 114 6.793 4.608 7.878 834 1HG ARG 114 1HG ARG 114 5.741 6.796 9.592 835 2HG ARG 114 2HG ARG 114 4.892 5.249 9.573 836 1HD ARG 114 1HD ARG 114 6.430 4.330 10.888 837 2HD ARG 114 2HD ARG 114 7.718 4.810 9.784 838 HE ARG 114 HE ARG 114 8.213 6.557 11.177 839 1HH1 ARG 114 1HH1 ARG 114 5.066 5.309 11.996 840 2HH1 ARG 114 2HH1 ARG 114 4.913 6.275 13.427 841 1HH2 ARG 114 1HH2 ARG 114 8.021 7.832 13.057 842 2HH2 ARG 114 2HH2 ARG 114 6.592 7.709 14.028 843 H CYS 115 H CYS 115 7.568 7.405 4.999 844 HA CYS 115 HA CYS 115 9.567 5.286 4.556 845 1HB CYS 115 1HB CYS 115 7.587 6.570 2.699 846 2HB CYS 115 2HB CYS 115 9.011 5.742 2.079 847 H LYS 116 H LYS 116 8.777 8.628 3.580 848 HA LYS 116 HA LYS 116 11.239 9.194 2.377 849 1HB LYS 116 1HB LYS 116 9.046 10.530 2.302 850 2HB LYS 116 2HB LYS 116 9.574 11.249 3.818 851 1HG LYS 116 1HG LYS 116 11.779 11.526 2.197 852 2HG LYS 116 2HG LYS 116 10.427 11.795 1.095 853 1HD LYS 116 1HD LYS 116 10.173 13.845 1.913 854 2HD LYS 116 2HD LYS 116 9.863 13.167 3.513 855 1HE LYS 116 1HE LYS 116 12.495 12.965 3.550 856 2HE LYS 116 2HE LYS 116 12.380 14.262 2.361 857 1HZ LYS 116 1HZ LYS 116 10.677 15.027 4.346 858 2HZ LYS 116 2HZ LYS 116 11.978 14.352 5.191 859 3HZ LYS 116 3HZ LYS 116 12.245 15.617 4.100 860 H GLY 117 H GLY 117 12.952 8.462 3.631 861 1HA GLY 117 1HA GLY 117 13.326 9.834 6.217 862 2HA GLY 117 2HA GLY 117 14.603 9.821 5.011 863 H THR 118 H THR 118 13.289 6.900 4.576 864 HA THR 118 HA THR 118 14.920 5.652 6.687 865 HB THR 118 HB THR 118 13.477 3.660 6.458 866 HG1 THR 118 HG1 THR 118 12.604 4.996 4.288 867 1HG2 THR 118 1HG2 THR 118 12.976 5.387 8.155 868 2HG2 THR 118 2HG2 THR 118 11.895 6.173 7.005 869 3HG2 THR 118 3HG2 THR 118 11.528 4.552 7.595 870 H ASP 119 H ASP 119 14.558 3.022 5.359 871 HA ASP 119 HA ASP 119 16.272 3.406 3.015 872 1HB ASP 119 1HB ASP 119 17.344 2.604 5.244 873 2HB ASP 119 2HB ASP 119 16.700 1.069 4.711 874 H VAL 120 H VAL 120 14.748 2.988 1.497 875 HA VAL 120 HA VAL 120 12.902 0.837 1.645 876 HB VAL 120 HB VAL 120 12.448 1.341 -0.740 877 1HG1 VAL 120 1HG1 VAL 120 11.604 2.688 1.345 878 2HG1 VAL 120 2HG1 VAL 120 12.571 3.982 0.636 879 3HG1 VAL 120 3HG1 VAL 120 11.259 3.253 -0.291 880 1HG2 VAL 120 1HG2 VAL 120 14.797 3.181 -0.382 881 2HG2 VAL 120 2HG2 VAL 120 14.537 1.958 -1.625 882 3HG2 VAL 120 3HG2 VAL 120 13.583 3.441 -1.635 883 H GLN 121 H GLN 121 16.082 1.286 0.218 884 HA GLN 121 HA GLN 121 16.167 -1.012 -1.386 885 1HB GLN 121 1HB GLN 121 18.439 0.318 0.110 886 2HB GLN 121 2HB GLN 121 18.615 -0.815 -1.223 887 1HG GLN 121 1HG GLN 121 18.295 0.767 -2.750 888 2HG GLN 121 2HG GLN 121 16.906 1.434 -1.893 889 2HE2 GLN 121 2HE2 GLN 121 19.871 2.159 -3.006 890 1HE2 GLN 121 1HE2 GLN 121 20.306 3.428 -1.918 891 H ALA 122 H ALA 122 16.244 -0.554 2.002 892 HA ALA 122 HA ALA 122 17.321 -3.198 2.562 893 1HB ALA 122 1HB ALA 122 16.600 -0.822 4.222 894 2HB ALA 122 2HB ALA 122 16.731 -2.410 4.979 895 3HB ALA 122 3HB ALA 122 18.119 -1.715 4.140 896 H TRP 123 H TRP 123 14.280 -1.585 2.205 897 HA TRP 123 HA TRP 123 12.645 -3.228 3.792 898 1HB TRP 123 1HB TRP 123 12.213 -1.429 1.466 899 2HB TRP 123 2HB TRP 123 10.937 -2.585 1.834 900 HD1 TRP 123 HD1 TRP 123 11.558 0.833 2.444 901 HE1 TRP 123 HE1 TRP 123 10.538 1.666 4.657 902 HE3 TRP 123 HE3 TRP 123 10.735 -3.645 4.734 903 HZ2 TRP 123 HZ2 TRP 123 9.530 0.534 7.028 904 HZ3 TRP 123 HZ3 TRP 123 9.743 -3.693 6.964 905 HH2 TRP 123 HH2 TRP 123 9.146 -1.622 8.100 906 H ILE 124 H ILE 124 14.344 -3.936 0.922 907 HA ILE 124 HA ILE 124 12.837 -6.454 0.638 908 HB ILE 124 HB ILE 124 13.658 -6.404 -1.782 909 1HG1 ILE 124 1HG1 ILE 124 13.519 -3.512 -1.913 910 2HG1 ILE 124 2HG1 ILE 124 14.860 -4.034 -0.898 911 1HG2 ILE 124 1HG2 ILE 124 11.529 -4.510 -0.807 912 2HG2 ILE 124 2HG2 ILE 124 11.723 -5.008 -2.488 913 3HG2 ILE 124 3HG2 ILE 124 11.332 -6.205 -1.254 914 1HD1 ILE 124 1HD1 ILE 124 14.810 -5.610 -3.274 915 2HD1 ILE 124 2HD1 ILE 124 14.755 -3.899 -3.697 916 3HD1 ILE 124 3HD1 ILE 124 16.062 -4.517 -2.685 917 H ARG 125 H ARG 125 15.443 -5.401 1.956 918 HA ARG 125 HA ARG 125 17.601 -6.747 0.715 919 1HB ARG 125 1HB ARG 125 17.796 -4.896 2.404 920 2HB ARG 125 2HB ARG 125 17.341 -6.056 3.645 921 1HG ARG 125 1HG ARG 125 19.604 -6.152 3.834 922 2HG ARG 125 2HG ARG 125 19.355 -7.418 2.629 923 1HD ARG 125 1HD ARG 125 19.994 -5.982 0.857 924 2HD ARG 125 2HD ARG 125 19.915 -4.556 1.890 925 HE ARG 125 HE ARG 125 22.012 -5.053 2.700 926 1HH1 ARG 125 1HH1 ARG 125 20.801 -7.737 0.838 927 2HH1 ARG 125 2HH1 ARG 125 22.319 -8.570 0.811 928 1HH2 ARG 125 1HH2 ARG 125 24.015 -6.141 2.670 929 2HH2 ARG 125 2HH2 ARG 125 24.146 -7.664 1.853 930 H GLY 126 H GLY 126 17.012 -8.861 0.233 931 1HA GLY 126 1HA GLY 126 16.483 -10.610 2.552 932 2HA GLY 126 2HA GLY 126 17.719 -11.019 1.373 933 H CYS 127 H CYS 127 15.168 -9.508 -0.165 934 HA CYS 127 HA CYS 127 13.365 -11.669 -0.412 935 1HB CYS 127 1HB CYS 127 13.687 -9.038 -1.610 936 2HB CYS 127 2HB CYS 127 12.744 -10.188 -2.536 937 H ARG 128 H ARG 128 12.810 -11.904 -3.087 938 HA ARG 128 HA ARG 128 15.282 -13.020 -4.230 939 1HB ARG 128 1HB ARG 128 12.558 -14.297 -4.046 940 2HB ARG 128 2HB ARG 128 13.774 -14.840 -5.193 941 1HG ARG 128 1HG ARG 128 15.225 -15.549 -3.484 942 2HG ARG 128 2HG ARG 128 14.313 -14.682 -2.246 943 1HD ARG 128 1HD ARG 128 13.764 -16.978 -2.017 944 2HD ARG 128 2HD ARG 128 12.374 -16.193 -2.765 945 HE ARG 128 HE ARG 128 14.067 -17.211 -4.770 946 1HH1 ARG 128 1HH1 ARG 128 11.862 -18.288 -2.296 947 2HH1 ARG 128 2HH1 ARG 128 11.430 -19.741 -3.133 948 1HH2 ARG 128 1HH2 ARG 128 13.504 -19.122 -5.879 949 2HH2 ARG 128 2HH2 ARG 128 12.363 -20.215 -5.170 950 H LEU 129 H LEU 129 15.357 -11.008 -5.422 951 HA LEU 129 HA LEU 129 13.407 -10.899 -7.627 952 1HB LEU 129 1HB LEU 129 15.067 -8.701 -6.396 953 2HB LEU 129 2HB LEU 129 14.105 -8.508 -7.849 954 HG LEU 129 HG LEU 129 12.786 -9.452 -5.337 955 1HD1 LEU 129 1HD1 LEU 129 14.277 -7.224 -5.191 956 2HD1 LEU 129 2HD1 LEU 129 12.785 -6.547 -5.843 957 3HD1 LEU 129 3HD1 LEU 129 12.758 -7.439 -4.322 958 1HD2 LEU 129 1HD2 LEU 129 11.848 -9.139 -7.824 959 2HD2 LEU 129 2HD2 LEU 129 10.860 -8.892 -6.384 960 3HD2 LEU 129 3HD2 LEU 129 11.579 -7.508 -7.208 No H/Q in entry = 960 Start of MODEL 44 1 H1 LYS 1 H1 LYS 1 -6.481 -9.900 2.517 2 H2 LYS 1 H2 LYS 1 -7.588 -10.701 1.518 3 H3 LYS 1 H3 LYS 1 -7.038 -11.441 2.937 4 HA LYS 1 HA LYS 1 -5.132 -12.139 2.035 5 1HB LYS 1 1HB LYS 1 -7.287 -12.068 0.174 6 2HB LYS 1 2HB LYS 1 -5.802 -11.773 -0.720 7 1HG LYS 1 1HG LYS 1 -4.872 -13.827 0.454 8 2HG LYS 1 2HG LYS 1 -6.535 -14.161 0.940 9 1HD LYS 1 1HD LYS 1 -6.424 -15.361 -1.013 10 2HD LYS 1 2HD LYS 1 -7.010 -13.812 -1.622 11 1HE LYS 1 1HE LYS 1 -5.127 -13.422 -2.776 12 2HE LYS 1 2HE LYS 1 -4.096 -13.995 -1.464 13 1HZ LYS 1 1HZ LYS 1 -5.272 -16.261 -2.386 14 2HZ LYS 1 2HZ LYS 1 -5.010 -15.377 -3.804 15 3HZ LYS 1 3HZ LYS 1 -3.714 -15.734 -2.777 16 H VAL 2 H VAL 2 -3.541 -10.651 2.558 17 HA VAL 2 HA VAL 2 -3.067 -8.373 0.819 18 HB VAL 2 HB VAL 2 -1.694 -9.334 3.330 19 1HG1 VAL 2 1HG1 VAL 2 -0.311 -8.056 1.423 20 2HG1 VAL 2 2HG1 VAL 2 -1.041 -6.667 2.227 21 3HG1 VAL 2 3HG1 VAL 2 -0.037 -7.789 3.145 22 1HG2 VAL 2 1HG2 VAL 2 -4.006 -7.923 3.026 23 2HG2 VAL 2 2HG2 VAL 2 -2.964 -7.862 4.448 24 3HG2 VAL 2 3HG2 VAL 2 -2.814 -6.634 3.192 25 H PHE 3 H PHE 3 -1.170 -8.048 -0.395 26 HA PHE 3 HA PHE 3 -0.120 -10.296 -1.723 27 1HB PHE 3 1HB PHE 3 0.432 -7.367 -1.681 28 2HB PHE 3 2HB PHE 3 1.665 -8.416 -2.362 29 HD1 PHE 3 HD1 PHE 3 1.216 -9.698 -4.388 30 HD2 PHE 3 HD2 PHE 3 -1.633 -6.977 -2.788 31 HE1 PHE 3 HE1 PHE 3 0.017 -9.696 -6.535 32 HE2 PHE 3 HE2 PHE 3 -2.837 -6.966 -4.928 33 HZ PHE 3 HZ PHE 3 -2.012 -8.329 -6.809 34 H GLY 4 H GLY 4 2.219 -10.699 -1.901 35 1HA GLY 4 1HA GLY 4 3.920 -11.813 -0.694 36 2HA GLY 4 2HA GLY 4 3.396 -10.973 0.761 37 H ARG 5 H ARG 5 5.572 -10.359 1.214 38 HA ARG 5 HA ARG 5 6.287 -7.811 0.398 39 1HB ARG 5 1HB ARG 5 7.481 -9.922 1.986 40 2HB ARG 5 2HB ARG 5 8.703 -9.053 1.069 41 1HG ARG 5 1HG ARG 5 8.620 -7.343 2.470 42 2HG ARG 5 2HG ARG 5 6.873 -7.199 2.268 43 1HD ARG 5 1HD ARG 5 6.997 -7.649 4.511 44 2HD ARG 5 2HD ARG 5 6.836 -9.281 3.864 45 HE ARG 5 HE ARG 5 8.996 -9.731 4.518 46 1HH1 ARG 5 1HH1 ARG 5 8.369 -6.315 4.797 47 2HH1 ARG 5 2HH1 ARG 5 9.829 -5.987 5.669 48 1HH2 ARG 5 1HH2 ARG 5 10.921 -9.309 5.666 49 2HH2 ARG 5 2HH2 ARG 5 11.280 -7.690 6.163 50 H CYS 6 H CYS 6 8.023 -10.785 -0.562 51 HA CYS 6 HA CYS 6 9.173 -9.358 -2.787 52 1HB CYS 6 1HB CYS 6 9.424 -12.314 -2.556 53 2HB CYS 6 2HB CYS 6 10.603 -11.104 -3.054 54 H GLU 7 H GLU 7 6.637 -11.738 -2.255 55 HA GLU 7 HA GLU 7 6.189 -12.658 -4.813 56 1HB GLU 7 1HB GLU 7 4.788 -12.751 -2.433 57 2HB GLU 7 2HB GLU 7 3.709 -11.835 -3.476 58 1HG GLU 7 1HG GLU 7 3.148 -13.632 -4.667 59 2HG GLU 7 2HG GLU 7 4.813 -14.205 -4.759 60 H LEU 8 H LEU 8 4.962 -9.694 -3.327 61 HA LEU 8 HA LEU 8 3.781 -8.681 -5.688 62 1HB LEU 8 1HB LEU 8 2.965 -7.675 -3.755 63 2HB LEU 8 2HB LEU 8 4.564 -7.476 -3.062 64 HG LEU 8 HG LEU 8 4.700 -5.893 -5.308 65 1HD1 LEU 8 1HD1 LEU 8 2.294 -6.192 -5.697 66 2HD1 LEU 8 2HD1 LEU 8 1.967 -5.513 -4.103 67 3HD1 LEU 8 3HD1 LEU 8 2.720 -4.517 -5.349 68 1HD2 LEU 8 1HD2 LEU 8 5.136 -5.602 -2.673 69 2HD2 LEU 8 2HD2 LEU 8 5.159 -4.265 -3.824 70 3HD2 LEU 8 3HD2 LEU 8 3.713 -4.578 -2.865 71 H ALA 9 H ALA 9 7.009 -8.267 -4.177 72 HA ALA 9 HA ALA 9 7.942 -6.238 -5.848 73 1HB ALA 9 1HB ALA 9 9.362 -6.627 -4.108 74 2HB ALA 9 2HB ALA 9 10.222 -7.449 -5.409 75 3HB ALA 9 3HB ALA 9 9.257 -8.381 -4.265 76 H ALA 10 H ALA 10 8.303 -9.769 -6.274 77 HA ALA 10 HA ALA 10 9.654 -9.775 -8.674 78 1HB ALA 10 1HB ALA 10 9.117 -12.000 -8.838 79 2HB ALA 10 2HB ALA 10 7.457 -11.752 -8.295 80 3HB ALA 10 3HB ALA 10 8.778 -11.728 -7.128 81 H ALA 11 H ALA 11 6.199 -9.434 -8.021 82 HA ALA 11 HA ALA 11 5.389 -9.379 -10.718 83 1HB ALA 11 1HB ALA 11 3.986 -8.102 -8.393 84 2HB ALA 11 2HB ALA 11 3.856 -9.810 -8.817 85 3HB ALA 11 3HB ALA 11 3.266 -8.577 -9.932 86 H MET 12 H MET 12 6.352 -6.959 -8.485 87 HA MET 12 HA MET 12 5.740 -4.658 -9.972 88 1HB MET 12 1HB MET 12 8.136 -4.879 -8.168 89 2HB MET 12 2HB MET 12 7.172 -3.460 -8.505 90 1HG MET 12 1HG MET 12 5.255 -4.828 -7.412 91 2HG MET 12 2HG MET 12 6.580 -5.756 -6.715 92 1HE MET 12 1HE MET 12 5.315 -2.350 -7.524 93 2HE MET 12 2HE MET 12 5.568 -1.372 -6.080 94 3HE MET 12 3HE MET 12 6.896 -1.637 -7.209 95 H LYS 13 H LYS 13 8.769 -6.502 -9.734 96 HA LYS 13 HA LYS 13 10.332 -5.002 -11.459 97 1HB LYS 13 1HB LYS 13 10.951 -7.067 -10.021 98 2HB LYS 13 2HB LYS 13 10.452 -8.010 -11.418 99 1HG LYS 13 1HG LYS 13 12.146 -6.115 -12.491 100 2HG LYS 13 2HG LYS 13 12.899 -6.526 -10.949 101 1HD LYS 13 1HD LYS 13 13.709 -8.369 -11.895 102 2HD LYS 13 2HD LYS 13 12.055 -8.956 -12.079 103 1HE LYS 13 1HE LYS 13 12.482 -8.952 -14.275 104 2HE LYS 13 2HE LYS 13 12.298 -7.201 -14.170 105 1HZ LYS 13 1HZ LYS 13 14.685 -7.010 -13.831 106 2HZ LYS 13 2HZ LYS 13 14.858 -8.690 -13.937 107 3HZ LYS 13 3HZ LYS 13 14.349 -7.805 -15.285 108 H ARG 14 H ARG 14 8.018 -7.568 -12.131 109 HA ARG 14 HA ARG 14 8.476 -7.650 -14.931 110 1HB ARG 14 1HB ARG 14 6.300 -8.645 -13.117 111 2HB ARG 14 2HB ARG 14 6.085 -8.698 -14.861 112 1HG ARG 14 1HG ARG 14 8.242 -9.982 -14.985 113 2HG ARG 14 2HG ARG 14 8.184 -10.092 -13.224 114 1HD ARG 14 1HD ARG 14 7.197 -12.080 -13.922 115 2HD ARG 14 2HD ARG 14 5.818 -11.039 -13.571 116 HE ARG 14 HE ARG 14 5.365 -10.898 -15.857 117 1HH1 ARG 14 1HH1 ARG 14 8.234 -12.773 -15.234 118 2HH1 ARG 14 2HH1 ARG 14 8.285 -13.461 -16.822 119 1HH2 ARG 14 1HH2 ARG 14 5.424 -11.798 -17.951 120 2HH2 ARG 14 2HH2 ARG 14 6.689 -12.906 -18.366 121 H HIS 15 H HIS 15 6.225 -5.883 -12.830 122 HA HIS 15 HA HIS 15 4.762 -4.744 -14.976 123 1HB HIS 15 1HB HIS 15 4.925 -4.190 -12.023 124 2HB HIS 15 2HB HIS 15 3.907 -3.238 -13.098 125 HD1 HIS 15 HD1 HIS 15 2.187 -4.407 -11.204 126 HD2 HIS 15 HD2 HIS 15 3.611 -6.748 -14.327 127 HE1 HIS 15 HE1 HIS 15 0.598 -6.345 -11.368 128 HE2 HIS 15 HE2 HIS 15 1.530 -7.797 -13.205 129 H GLY 16 H GLY 16 7.900 -4.056 -13.861 130 1HA GLY 16 1HA GLY 16 7.900 -1.664 -15.420 131 2HA GLY 16 2HA GLY 16 9.278 -2.436 -14.667 132 H LEU 17 H LEU 17 7.733 -2.255 -11.933 133 HA LEU 17 HA LEU 17 7.619 0.587 -11.594 134 1HB LEU 17 1HB LEU 17 7.719 -1.378 -9.336 135 2HB LEU 17 2HB LEU 17 6.980 0.209 -9.359 136 HG LEU 17 HG LEU 17 5.871 -2.391 -10.091 137 1HD1 LEU 17 1HD1 LEU 17 5.206 -0.224 -8.507 138 2HD1 LEU 17 2HD1 LEU 17 4.048 -0.153 -9.836 139 3HD1 LEU 17 3HD1 LEU 17 4.185 -1.617 -8.863 140 1HD2 LEU 17 1HD2 LEU 17 5.547 -0.054 -11.953 141 2HD2 LEU 17 2HD2 LEU 17 5.900 -1.738 -12.344 142 3HD2 LEU 17 3HD2 LEU 17 4.294 -1.282 -11.778 143 H ASP 18 H ASP 18 10.038 -1.658 -11.630 144 HA ASP 18 HA ASP 18 11.820 -0.451 -9.740 145 1HB ASP 18 1HB ASP 18 12.264 -2.727 -10.183 146 2HB ASP 18 2HB ASP 18 12.185 -2.492 -11.924 147 H ASN 19 H ASN 19 11.853 1.716 -10.243 148 HA ASN 19 HA ASN 19 12.986 3.542 -11.069 149 1HB ASN 19 1HB ASN 19 14.463 1.540 -12.271 150 2HB ASN 19 2HB ASN 19 13.842 2.446 -13.646 151 2HD2 ASN 19 2HD2 ASN 19 15.295 3.825 -14.336 152 1HD2 ASN 19 1HD2 ASN 19 16.324 4.805 -13.352 153 H TYR 20 H TYR 20 10.314 2.936 -11.372 154 HA TYR 20 HA TYR 20 9.552 3.606 -14.105 155 1HB TYR 20 1HB TYR 20 8.314 1.906 -12.681 156 2HB TYR 20 2HB TYR 20 7.688 3.270 -11.759 157 HD1 TYR 20 HD1 TYR 20 7.739 1.689 -15.101 158 HD2 TYR 20 HD2 TYR 20 5.908 4.601 -12.600 159 HE1 TYR 20 HE1 TYR 20 5.942 1.969 -16.755 160 HE2 TYR 20 HE2 TYR 20 4.105 4.890 -14.248 161 HH TYR 20 HH TYR 20 4.252 3.445 -17.406 162 H ARG 21 H ARG 21 9.246 5.611 -14.784 163 HA ARG 21 HA ARG 21 8.957 7.871 -14.799 164 1HB ARG 21 1HB ARG 21 7.127 6.902 -12.723 165 2HB ARG 21 2HB ARG 21 7.640 8.565 -12.471 166 1HG ARG 21 1HG ARG 21 6.458 7.527 -15.036 167 2HG ARG 21 2HG ARG 21 5.542 8.341 -13.767 168 1HD ARG 21 1HD ARG 21 6.124 10.319 -14.590 169 2HD ARG 21 2HD ARG 21 7.829 9.918 -14.384 170 HE ARG 21 HE ARG 21 6.402 9.016 -16.785 171 1HH1 ARG 21 1HH1 ARG 21 8.879 10.956 -15.285 172 2HH1 ARG 21 2HH1 ARG 21 9.666 11.336 -16.781 173 1HH2 ARG 21 1HH2 ARG 21 7.432 9.511 -18.757 174 2HH2 ARG 21 2HH2 ARG 21 8.844 10.515 -18.754 175 H GLY 22 H GLY 22 11.022 6.353 -13.240 176 1HA GLY 22 1HA GLY 22 12.219 8.700 -11.961 177 2HA GLY 22 2HA GLY 22 13.089 7.289 -12.533 178 H TYR 23 H TYR 23 10.525 5.967 -10.906 179 HA TYR 23 HA TYR 23 11.965 6.157 -8.361 180 1HB TYR 23 1HB TYR 23 9.078 5.851 -9.001 181 2HB TYR 23 2HB TYR 23 9.689 5.155 -7.499 182 HD1 TYR 23 HD1 TYR 23 11.395 6.876 -6.243 183 HD2 TYR 23 HD2 TYR 23 8.176 7.966 -8.802 184 HE1 TYR 23 HE1 TYR 23 11.305 9.089 -5.176 185 HE2 TYR 23 HE2 TYR 23 8.077 10.182 -7.741 186 HH TYR 23 HH TYR 23 8.880 11.046 -5.204 187 H SER 24 H SER 24 12.990 4.504 -7.572 188 HA SER 24 HA SER 24 13.059 2.034 -8.999 189 1HB SER 24 1HB SER 24 14.778 1.386 -7.419 190 2HB SER 24 2HB SER 24 15.060 3.054 -7.915 191 HG SER 24 HG SER 24 14.065 2.072 -5.468 192 H LEU 25 H LEU 25 12.824 -0.043 -7.963 193 HA LEU 25 HA LEU 25 10.342 -0.681 -7.139 194 1HB LEU 25 1HB LEU 25 12.968 -1.930 -7.009 195 2HB LEU 25 2HB LEU 25 11.875 -2.516 -5.770 196 HG LEU 25 HG LEU 25 11.036 -2.418 -8.644 197 1HD1 LEU 25 1HD1 LEU 25 13.161 -3.668 -8.498 198 2HD1 LEU 25 2HD1 LEU 25 12.427 -4.722 -7.289 199 3HD1 LEU 25 3HD1 LEU 25 11.791 -4.690 -8.933 200 1HD2 LEU 25 1HD2 LEU 25 9.992 -3.459 -6.115 201 2HD2 LEU 25 2HD2 LEU 25 9.146 -3.011 -7.596 202 3HD2 LEU 25 3HD2 LEU 25 9.908 -4.596 -7.460 203 H GLY 26 H GLY 26 13.061 -0.233 -4.862 204 1HA GLY 26 1HA GLY 26 13.077 0.557 -2.702 205 2HA GLY 26 2HA GLY 26 11.850 -0.675 -2.479 206 H ASN 27 H ASN 27 11.527 2.304 -4.368 207 HA ASN 27 HA ASN 27 10.178 3.760 -2.343 208 1HB ASN 27 1HB ASN 27 10.029 4.187 -5.329 209 2HB ASN 27 2HB ASN 27 9.656 5.367 -4.076 210 2HD2 ASN 27 2HD2 ASN 27 11.813 4.799 -6.309 211 1HD2 ASN 27 1HD2 ASN 27 13.264 5.329 -5.539 212 H TRP 28 H TRP 28 9.096 1.593 -4.860 213 HA TRP 28 HA TRP 28 6.315 2.220 -4.569 214 1HB TRP 28 1HB TRP 28 7.624 -0.124 -5.935 215 2HB TRP 28 2HB TRP 28 5.945 0.389 -6.119 216 HD1 TRP 28 HD1 TRP 28 9.426 1.134 -7.319 217 HE1 TRP 28 HE1 TRP 28 9.351 3.001 -9.075 218 HE3 TRP 28 HE3 TRP 28 4.550 2.508 -6.805 219 HZ2 TRP 28 HZ2 TRP 28 7.492 4.840 -10.124 220 HZ3 TRP 28 HZ3 TRP 28 3.658 4.311 -8.209 221 HH2 TRP 28 HH2 TRP 28 5.102 5.462 -9.847 222 H VAL 29 H VAL 29 8.500 -0.213 -3.236 223 HA VAL 29 HA VAL 29 6.422 -1.818 -2.148 224 HB VAL 29 HB VAL 29 9.352 -1.646 -1.439 225 1HG1 VAL 29 1HG1 VAL 29 8.044 -2.553 0.417 226 2HG1 VAL 29 2HG1 VAL 29 7.330 -3.746 -0.668 227 3HG1 VAL 29 3HG1 VAL 29 9.058 -3.792 -0.322 228 1HG2 VAL 29 1HG2 VAL 29 7.891 -2.906 -3.599 229 2HG2 VAL 29 2HG2 VAL 29 9.627 -2.679 -3.394 230 3HG2 VAL 29 3HG2 VAL 29 8.830 -4.074 -2.669 231 H CYS 30 H CYS 30 8.649 0.576 -0.756 232 HA CYS 30 HA CYS 30 7.665 0.454 1.859 233 1HB CYS 30 1HB CYS 30 9.796 1.578 1.047 234 2HB CYS 30 2HB CYS 30 8.786 2.938 0.566 235 H ALA 31 H ALA 31 6.751 2.583 -0.850 236 HA ALA 31 HA ALA 31 4.898 4.144 0.554 237 1HB ALA 31 1HB ALA 31 5.429 3.555 -2.309 238 2HB ALA 31 2HB ALA 31 5.423 5.096 -1.450 239 3HB ALA 31 3HB ALA 31 3.898 4.324 -1.888 240 H ALA 32 H ALA 32 4.452 1.188 -1.367 241 HA ALA 32 HA ALA 32 1.643 1.070 -1.035 242 1HB ALA 32 1HB ALA 32 2.553 -0.115 -2.856 243 2HB ALA 32 2HB ALA 32 1.963 -1.342 -1.736 244 3HB ALA 32 3HB ALA 32 3.687 -0.986 -1.823 245 H LYS 33 H LYS 33 4.331 -0.474 0.697 246 HA LYS 33 HA LYS 33 2.921 -2.168 2.352 247 1HB LYS 33 1HB LYS 33 5.427 -1.971 2.114 248 2HB LYS 33 2HB LYS 33 5.347 -0.593 3.202 249 1HG LYS 33 1HG LYS 33 4.242 -2.127 4.870 250 2HG LYS 33 2HG LYS 33 4.681 -3.459 3.799 251 1HD LYS 33 1HD LYS 33 7.060 -2.283 3.956 252 2HD LYS 33 2HD LYS 33 6.400 -1.733 5.496 253 1HE LYS 33 1HE LYS 33 6.499 -4.609 4.597 254 2HE LYS 33 2HE LYS 33 7.679 -3.852 5.665 255 1HZ LYS 33 1HZ LYS 33 5.804 -3.346 7.190 256 2HZ LYS 33 2HZ LYS 33 4.792 -4.276 6.203 257 3HZ LYS 33 3HZ LYS 33 6.100 -4.999 6.997 258 H PHE 34 H PHE 34 3.919 1.176 3.098 259 HA PHE 34 HA PHE 34 2.392 1.162 5.497 260 1HB PHE 34 1HB PHE 34 4.163 3.037 4.164 261 2HB PHE 34 2HB PHE 34 2.975 3.754 5.233 262 HD1 PHE 34 HD1 PHE 34 2.845 2.728 7.613 263 HD2 PHE 34 HD2 PHE 34 6.169 2.260 4.998 264 HE1 PHE 34 HE1 PHE 34 4.279 2.192 9.539 265 HE2 PHE 34 HE2 PHE 34 7.610 1.722 6.918 266 HZ PHE 34 HZ PHE 34 6.665 1.687 9.193 267 H GLU 35 H GLU 35 1.601 1.789 2.264 268 HA GLU 35 HA GLU 35 -0.484 3.685 2.791 269 1HB GLU 35 1HB GLU 35 0.752 2.396 0.486 270 2HB GLU 35 2HB GLU 35 -0.995 2.506 0.328 271 1HG GLU 35 1HG GLU 35 -0.980 4.825 0.371 272 2HG GLU 35 2HG GLU 35 0.615 4.897 1.116 273 H SER 36 H SER 36 -0.388 0.282 1.804 274 HA SER 36 HA SER 36 -3.057 -0.087 3.000 275 1HB SER 36 1HB SER 36 -3.577 -1.608 1.068 276 2HB SER 36 2HB SER 36 -3.380 0.083 0.612 277 HG SER 36 HG SER 36 -0.999 -1.060 0.491 278 H ASN 37 H ASN 37 0.072 -1.013 3.199 279 HA ASN 37 HA ASN 37 1.159 -2.809 4.100 280 1HB ASN 37 1HB ASN 37 -1.598 -3.670 5.017 281 2HB ASN 37 2HB ASN 37 -0.059 -4.233 5.662 282 2HD2 ASN 37 2HD2 ASN 37 1.044 -2.989 7.103 283 1HD2 ASN 37 1HD2 ASN 37 0.410 -1.536 7.791 284 H PHE 38 H PHE 38 0.051 -2.832 1.432 285 HA PHE 38 HA PHE 38 -0.029 -4.097 -0.392 286 1HB PHE 38 1HB PHE 38 0.972 -6.334 1.385 287 2HB PHE 38 2HB PHE 38 0.982 -6.312 -0.372 288 HD1 PHE 38 HD1 PHE 38 1.963 -3.777 -1.142 289 HD2 PHE 38 HD2 PHE 38 3.124 -6.157 2.190 290 HE1 PHE 38 HE1 PHE 38 4.163 -2.680 -1.135 291 HE2 PHE 38 HE2 PHE 38 5.328 -5.063 2.202 292 HZ PHE 38 HZ PHE 38 5.851 -3.327 0.539 293 H ASN 39 H ASN 39 -2.327 -3.891 1.482 294 HA ASN 39 HA ASN 39 -3.707 -6.413 1.160 295 1HB ASN 39 1HB ASN 39 -3.975 -4.572 3.056 296 2HB ASN 39 2HB ASN 39 -5.149 -3.915 1.922 297 2HD2 ASN 39 2HD2 ASN 39 -5.166 -5.445 4.609 298 1HD2 ASN 39 1HD2 ASN 39 -6.415 -6.615 4.374 299 H THR 40 H THR 40 -4.512 -6.960 -0.707 300 HA THR 40 HA THR 40 -4.726 -5.273 -2.926 301 HB THR 40 HB THR 40 -5.338 -7.132 -4.111 302 HG1 THR 40 HG1 THR 40 -6.597 -8.839 -2.641 303 1HG2 THR 40 1HG2 THR 40 -3.682 -7.701 -1.916 304 2HG2 THR 40 2HG2 THR 40 -4.776 -9.073 -2.082 305 3HG2 THR 40 3HG2 THR 40 -3.781 -8.570 -3.447 306 H GLN 41 H GLN 41 -6.784 -5.845 -0.297 307 HA GLN 41 HA GLN 41 -9.065 -4.632 -1.679 308 1HB GLN 41 1HB GLN 41 -8.723 -6.731 0.360 309 2HB GLN 41 2HB GLN 41 -10.083 -5.666 0.585 310 1HG GLN 41 1HG GLN 41 -10.862 -6.211 -1.688 311 2HG GLN 41 2HG GLN 41 -9.501 -7.320 -1.854 312 2HE2 GLN 41 2HE2 GLN 41 -12.691 -7.174 -1.228 313 1HE2 GLN 41 1HE2 GLN 41 -12.885 -8.615 -0.295 314 H ALA 42 H ALA 42 -6.608 -3.661 0.240 315 HA ALA 42 HA ALA 42 -7.815 -2.381 2.409 316 1HB ALA 42 1HB ALA 42 -5.223 -2.275 1.070 317 2HB ALA 42 2HB ALA 42 -5.622 -2.293 2.788 318 3HB ALA 42 3HB ALA 42 -5.683 -0.781 1.885 319 H THR 43 H THR 43 -9.055 -0.692 2.609 320 HA THR 43 HA THR 43 -9.114 1.355 0.489 321 HB THR 43 HB THR 43 -11.418 1.495 0.537 322 HG1 THR 43 HG1 THR 43 -11.849 1.811 2.674 323 1HG2 THR 43 1HG2 THR 43 -10.520 -0.898 -0.043 324 2HG2 THR 43 2HG2 THR 43 -11.374 -1.355 1.432 325 3HG2 THR 43 3HG2 THR 43 -12.255 -0.611 0.097 326 H ASN 44 H ASN 44 -8.844 3.445 1.231 327 HA ASN 44 HA ASN 44 -8.996 3.847 4.146 328 1HB ASN 44 1HB ASN 44 -6.824 4.509 2.226 329 2HB ASN 44 2HB ASN 44 -7.149 5.673 3.507 330 2HD2 ASN 44 2HD2 ASN 44 -6.743 2.177 3.061 331 1HD2 ASN 44 1HD2 ASN 44 -5.809 1.931 4.493 332 H ARG 45 H ARG 45 -10.788 5.019 4.435 333 HA ARG 45 HA ARG 45 -11.578 7.051 2.531 334 1HB ARG 45 1HB ARG 45 -13.487 7.379 4.168 335 2HB ARG 45 2HB ARG 45 -13.380 5.795 3.411 336 1HG ARG 45 1HG ARG 45 -11.973 5.268 5.599 337 2HG ARG 45 2HG ARG 45 -12.964 6.584 6.233 338 1HD ARG 45 1HD ARG 45 -14.008 4.106 4.867 339 2HD ARG 45 2HD ARG 45 -13.985 4.378 6.608 340 HE ARG 45 HE ARG 45 -15.454 6.377 6.044 341 1HH1 ARG 45 1HH1 ARG 45 -15.412 3.432 4.183 342 2HH1 ARG 45 2HH1 ARG 45 -17.043 3.607 3.629 343 1HH2 ARG 45 1HH2 ARG 45 -17.603 6.616 5.320 344 2HH2 ARG 45 2HH2 ARG 45 -18.289 5.417 4.275 345 H ASN 46 H ASN 46 -11.123 9.141 2.663 346 HA ASN 46 HA ASN 46 -9.883 10.146 5.132 347 1HB ASN 46 1HB ASN 46 -9.809 11.611 2.515 348 2HB ASN 46 2HB ASN 46 -8.666 11.669 3.852 349 2HD2 ASN 46 2HD2 ASN 46 -7.050 10.169 3.983 350 1HD2 ASN 46 1HD2 ASN 46 -6.701 9.040 2.723 351 H THR 47 H THR 47 -10.212 12.645 5.314 352 HA THR 47 HA THR 47 -13.047 13.038 5.667 353 HB THR 47 HB THR 47 -12.411 15.195 6.693 354 HG1 THR 47 HG1 THR 47 -10.110 15.570 6.940 355 1HG2 THR 47 1HG2 THR 47 -12.389 13.019 7.964 356 2HG2 THR 47 2HG2 THR 47 -10.642 12.979 7.719 357 3HG2 THR 47 3HG2 THR 47 -11.374 14.293 8.641 358 H ASP 48 H ASP 48 -10.790 13.704 3.225 359 HA ASP 48 HA ASP 48 -11.980 16.100 2.206 360 1HB ASP 48 1HB ASP 48 -10.588 15.553 0.162 361 2HB ASP 48 2HB ASP 48 -9.694 15.751 1.666 362 H GLY 49 H GLY 49 -13.000 12.935 2.254 363 1HA GLY 49 1HA GLY 49 -14.877 13.469 0.055 364 2HA GLY 49 2HA GLY 49 -15.149 12.348 1.380 365 H SER 50 H SER 50 -12.144 12.479 -0.405 366 HA SER 50 HA SER 50 -12.843 10.332 -2.180 367 1HB SER 50 1HB SER 50 -10.182 10.400 -2.430 368 2HB SER 50 2HB SER 50 -11.228 11.589 -3.205 369 HG SER 50 HG SER 50 -9.616 11.851 -0.919 370 H THR 51 H THR 51 -11.163 8.449 -2.294 371 HA THR 51 HA THR 51 -10.517 7.441 0.379 372 HB THR 51 HB THR 51 -11.877 5.560 -1.503 373 HG1 THR 51 HG1 THR 51 -13.282 7.391 -1.289 374 1HG2 THR 51 1HG2 THR 51 -10.719 5.101 0.832 375 2HG2 THR 51 2HG2 THR 51 -12.287 5.628 1.443 376 3HG2 THR 51 3HG2 THR 51 -12.185 4.250 0.348 377 H ASP 52 H ASP 52 -9.334 5.286 0.202 378 HA ASP 52 HA ASP 52 -7.561 5.305 -2.157 379 1HB ASP 52 1HB ASP 52 -6.853 4.635 0.708 380 2HB ASP 52 2HB ASP 52 -5.754 4.540 -0.665 381 H TYR 53 H TYR 53 -8.921 3.792 -3.176 382 HA TYR 53 HA TYR 53 -9.098 1.158 -1.926 383 1HB TYR 53 1HB TYR 53 -10.244 2.076 -4.569 384 2HB TYR 53 2HB TYR 53 -10.596 0.569 -3.738 385 HD1 TYR 53 HD1 TYR 53 -11.647 0.817 -1.353 386 HD2 TYR 53 HD2 TYR 53 -11.678 3.868 -4.313 387 HE1 TYR 53 HE1 TYR 53 -13.576 1.862 -0.244 388 HE2 TYR 53 HE2 TYR 53 -13.610 4.922 -3.217 389 HH TYR 53 HH TYR 53 -15.560 3.982 -1.621 390 H GLY 54 H GLY 54 -6.752 0.668 -2.123 391 1HA GLY 54 1HA GLY 54 -5.581 0.640 -4.723 392 2HA GLY 54 2HA GLY 54 -6.140 -0.958 -4.253 393 H ILE 55 H ILE 55 -3.853 -1.567 -4.388 394 HA ILE 55 HA ILE 55 -2.623 -1.571 -1.831 395 HB ILE 55 HB ILE 55 -2.274 -3.355 -3.579 396 1HG1 ILE 55 1HG1 ILE 55 0.361 -2.161 -2.730 397 2HG1 ILE 55 2HG1 ILE 55 -0.750 -2.876 -1.565 398 1HG2 ILE 55 1HG2 ILE 55 -0.716 -1.139 -4.867 399 2HG2 ILE 55 2HG2 ILE 55 -0.371 -2.836 -5.197 400 3HG2 ILE 55 3HG2 ILE 55 -1.962 -2.170 -5.571 401 1HD1 ILE 55 1HD1 ILE 55 0.235 -4.376 -3.967 402 2HD1 ILE 55 2HD1 ILE 55 1.108 -4.351 -2.435 403 3HD1 ILE 55 3HD1 ILE 55 -0.525 -5.012 -2.508 404 H LEU 56 H LEU 56 -2.439 0.420 -4.655 405 HA LEU 56 HA LEU 56 -0.300 2.036 -3.453 406 1HB LEU 56 1HB LEU 56 -0.770 1.226 -6.139 407 2HB LEU 56 2HB LEU 56 -1.044 2.955 -6.073 408 HG LEU 56 HG LEU 56 1.216 2.866 -6.630 409 1HD1 LEU 56 1HD1 LEU 56 0.651 3.963 -4.290 410 2HD1 LEU 56 2HD1 LEU 56 1.725 2.693 -3.706 411 3HD1 LEU 56 3HD1 LEU 56 2.305 3.857 -4.896 412 1HD2 LEU 56 1HD2 LEU 56 1.176 0.309 -6.202 413 2HD2 LEU 56 2HD2 LEU 56 2.706 1.179 -6.086 414 3HD2 LEU 56 3HD2 LEU 56 1.833 0.729 -4.620 415 H GLN 57 H GLN 57 -3.431 1.786 -3.143 416 HA GLN 57 HA GLN 57 -5.073 3.144 -2.421 417 1HB GLN 57 1HB GLN 57 -2.943 5.280 -2.592 418 2HB GLN 57 2HB GLN 57 -4.535 5.513 -1.883 419 1HG GLN 57 1HG GLN 57 -3.847 3.449 -0.426 420 2HG GLN 57 2HG GLN 57 -2.217 3.954 -0.868 421 2HE2 GLN 57 2HE2 GLN 57 -2.205 6.576 -0.796 422 1HE2 GLN 57 1HE2 GLN 57 -2.655 7.189 0.755 423 H ILE 58 H ILE 58 -6.064 2.633 -4.574 424 HA ILE 58 HA ILE 58 -5.835 4.752 -6.537 425 HB ILE 58 HB ILE 58 -7.675 2.374 -6.684 426 1HG1 ILE 58 1HG1 ILE 58 -5.529 1.410 -6.286 427 2HG1 ILE 58 2HG1 ILE 58 -5.803 1.313 -8.022 428 1HG2 ILE 58 1HG2 ILE 58 -6.805 4.511 -8.500 429 2HG2 ILE 58 2HG2 ILE 58 -6.804 2.891 -9.197 430 3HG2 ILE 58 3HG2 ILE 58 -8.284 3.550 -8.498 431 1HD1 ILE 58 1HD1 ILE 58 -4.487 3.755 -7.539 432 2HD1 ILE 58 2HD1 ILE 58 -3.648 2.515 -6.606 433 3HD1 ILE 58 3HD1 ILE 58 -3.863 2.315 -8.345 434 H ASN 59 H ASN 59 -6.828 6.541 -5.812 435 HA ASN 59 HA ASN 59 -9.224 6.612 -4.352 436 1HB ASN 59 1HB ASN 59 -7.672 8.515 -4.454 437 2HB ASN 59 2HB ASN 59 -8.010 8.710 -6.172 438 2HD2 ASN 59 2HD2 ASN 59 -8.519 10.911 -5.407 439 1HD2 ASN 59 1HD2 ASN 59 -10.127 11.230 -4.861 440 H SER 60 H SER 60 -10.988 5.553 -5.170 441 HA SER 60 HA SER 60 -11.572 5.382 -7.927 442 1HB SER 60 1HB SER 60 -13.417 4.130 -7.294 443 2HB SER 60 2HB SER 60 -12.367 3.927 -5.892 444 HG SER 60 HG SER 60 -14.750 4.667 -5.712 445 H ARG 61 H ARG 61 -12.138 7.879 -5.622 446 HA ARG 61 HA ARG 61 -14.365 9.013 -7.112 447 1HB ARG 61 1HB ARG 61 -13.886 9.069 -4.503 448 2HB ARG 61 2HB ARG 61 -12.967 10.504 -4.935 449 1HG ARG 61 1HG ARG 61 -14.965 11.472 -5.964 450 2HG ARG 61 2HG ARG 61 -15.886 10.036 -5.509 451 1HD ARG 61 1HD ARG 61 -14.929 10.640 -3.113 452 2HD ARG 61 2HD ARG 61 -14.852 12.253 -3.821 453 HE ARG 61 HE ARG 61 -17.206 12.233 -4.046 454 1HH1 ARG 61 1HH1 ARG 61 -15.950 9.409 -2.437 455 2HH1 ARG 61 2HH1 ARG 61 -17.476 8.964 -1.748 456 1HH2 ARG 61 1HH2 ARG 61 -19.219 11.654 -3.144 457 2HH2 ARG 61 2HH2 ARG 61 -19.334 10.240 -2.150 458 H TRP 62 H TRP 62 -11.549 8.708 -8.146 459 HA TRP 62 HA TRP 62 -11.445 11.236 -9.496 460 1HB TRP 62 1HB TRP 62 -9.784 10.812 -7.171 461 2HB TRP 62 2HB TRP 62 -8.799 11.083 -8.605 462 HD1 TRP 62 HD1 TRP 62 -10.758 12.903 -6.029 463 HE1 TRP 62 HE1 TRP 62 -10.902 15.403 -6.620 464 HE3 TRP 62 HE3 TRP 62 -9.050 12.701 -10.844 465 HZ2 TRP 62 HZ2 TRP 62 -10.365 17.070 -8.833 466 HZ3 TRP 62 HZ3 TRP 62 -8.896 14.793 -12.129 467 HH2 TRP 62 HH2 TRP 62 -9.540 16.933 -11.143 468 H TRP 63 H TRP 63 -10.802 7.940 -9.405 469 HA TRP 63 HA TRP 63 -9.213 8.173 -11.862 470 1HB TRP 63 1HB TRP 63 -8.753 6.274 -9.557 471 2HB TRP 63 2HB TRP 63 -8.002 6.085 -11.139 472 HD1 TRP 63 HD1 TRP 63 -6.964 7.214 -7.946 473 HE1 TRP 63 HE1 TRP 63 -5.173 9.065 -8.078 474 HE3 TRP 63 HE3 TRP 63 -7.602 8.587 -12.800 475 HZ2 TRP 63 HZ2 TRP 63 -4.176 10.886 -10.015 476 HZ3 TRP 63 HZ3 TRP 63 -6.241 10.385 -13.729 477 HH2 TRP 63 HH2 TRP 63 -4.540 11.517 -12.367 478 H CYS 64 H CYS 64 -10.688 5.543 -9.990 479 HA CYS 64 HA CYS 64 -11.699 4.438 -12.498 480 1HB CYS 64 1HB CYS 64 -11.886 2.361 -11.428 481 2HB CYS 64 2HB CYS 64 -10.447 3.069 -10.707 482 H ASN 65 H ASN 65 -13.819 3.479 -12.604 483 HA ASN 65 HA ASN 65 -15.805 5.241 -11.335 484 1HB ASN 65 1HB ASN 65 -15.661 5.103 -13.858 485 2HB ASN 65 2HB ASN 65 -16.224 3.439 -13.724 486 2HD2 ASN 65 2HD2 ASN 65 -18.343 3.044 -13.428 487 1HD2 ASN 65 1HD2 ASN 65 -19.557 4.268 -13.314 488 H ASP 66 H ASP 66 -16.755 4.412 -9.605 489 HA ASP 66 HA ASP 66 -17.106 1.508 -9.410 490 1HB ASP 66 1HB ASP 66 -17.386 1.830 -7.032 491 2HB ASP 66 2HB ASP 66 -15.945 2.696 -7.554 492 H GLY 67 H GLY 67 -18.823 4.145 -10.394 493 1HA GLY 67 1HA GLY 67 -21.292 2.722 -10.427 494 2HA GLY 67 2HA GLY 67 -21.044 4.381 -10.949 495 H ARG 68 H ARG 68 -19.885 4.088 -7.848 496 HA ARG 68 HA ARG 68 -22.480 4.677 -6.613 497 1HB ARG 68 1HB ARG 68 -20.353 3.088 -5.781 498 2HB ARG 68 2HB ARG 68 -20.214 4.535 -4.793 499 1HG ARG 68 1HG ARG 68 -22.492 4.261 -4.017 500 2HG ARG 68 2HG ARG 68 -22.699 2.856 -5.065 501 1HD ARG 68 1HD ARG 68 -20.490 2.119 -3.710 502 2HD ARG 68 2HD ARG 68 -21.281 3.117 -2.490 503 HE ARG 68 HE ARG 68 -22.735 0.930 -3.813 504 1HH1 ARG 68 1HH1 ARG 68 -21.499 2.458 -0.937 505 2HH1 ARG 68 2HH1 ARG 68 -22.357 1.414 0.144 506 1HH2 ARG 68 1HH2 ARG 68 -23.870 -0.451 -2.398 507 2HH2 ARG 68 2HH2 ARG 68 -23.706 -0.241 -0.687 508 H THR 69 H THR 69 -20.288 6.391 -8.153 509 HA THR 69 HA THR 69 -20.726 8.751 -6.483 510 HB THR 69 HB THR 69 -18.012 8.408 -7.696 511 HG1 THR 69 HG1 THR 69 -17.757 6.729 -6.410 512 1HG2 THR 69 1HG2 THR 69 -19.006 10.548 -6.618 513 2HG2 THR 69 2HG2 THR 69 -18.704 9.720 -5.092 514 3HG2 THR 69 3HG2 THR 69 -17.366 10.060 -6.190 515 HA PRO 70 HA PRO 70 -21.774 10.014 -10.686 516 1HB PRO 70 1HB PRO 70 -22.893 12.387 -9.982 517 2HB PRO 70 2HB PRO 70 -23.743 10.844 -9.840 518 1HG PRO 70 1HG PRO 70 -22.318 12.424 -7.733 519 2HG PRO 70 2HG PRO 70 -23.883 11.593 -7.642 520 1HD PRO 70 1HD PRO 70 -21.613 10.530 -6.623 521 2HD PRO 70 2HD PRO 70 -22.907 9.528 -7.310 522 H GLY 71 H GLY 71 -19.528 11.248 -8.508 523 1HA GLY 71 1HA GLY 71 -18.188 13.229 -8.654 524 2HA GLY 71 2HA GLY 71 -18.700 13.408 -10.325 525 H SER 72 H SER 72 -18.091 10.217 -9.973 526 HA SER 72 HA SER 72 -15.350 9.901 -9.830 527 1HB SER 72 1HB SER 72 -16.744 7.959 -9.833 528 2HB SER 72 2HB SER 72 -17.415 8.363 -11.412 529 HG SER 72 HG SER 72 -15.458 6.775 -11.022 530 H ARG 73 H ARG 73 -13.816 10.863 -10.959 531 HA ARG 73 HA ARG 73 -14.214 12.211 -13.399 532 1HB ARG 73 1HB ARG 73 -12.071 11.815 -11.535 533 2HB ARG 73 2HB ARG 73 -11.465 11.570 -13.168 534 1HG ARG 73 1HG ARG 73 -11.130 13.822 -12.872 535 2HG ARG 73 2HG ARG 73 -12.701 13.800 -13.676 536 1HD ARG 73 1HD ARG 73 -12.665 13.682 -10.711 537 2HD ARG 73 2HD ARG 73 -12.247 15.217 -11.472 538 HE ARG 73 HE ARG 73 -14.802 13.800 -11.877 539 1HH1 ARG 73 1HH1 ARG 73 -12.916 16.723 -11.674 540 2HH1 ARG 73 2HH1 ARG 73 -14.277 17.770 -11.889 541 1HH2 ARG 73 1HH2 ARG 73 -16.601 15.172 -12.163 542 2HH2 ARG 73 2HH2 ARG 73 -16.373 16.890 -12.167 543 H ASN 74 H ASN 74 -12.985 9.003 -12.645 544 HA ASN 74 HA ASN 74 -12.605 7.143 -13.917 545 1HB ASN 74 1HB ASN 74 -14.957 7.905 -14.765 546 2HB ASN 74 2HB ASN 74 -14.089 8.428 -16.205 547 2HD2 ASN 74 2HD2 ASN 74 -13.516 5.625 -14.138 548 1HD2 ASN 74 1HD2 ASN 74 -13.778 4.440 -15.368 549 H LEU 75 H LEU 75 -10.901 9.521 -13.990 550 HA LEU 75 HA LEU 75 -9.786 10.173 -16.427 551 1HB LEU 75 1HB LEU 75 -8.972 10.000 -13.600 552 2HB LEU 75 2HB LEU 75 -7.667 10.098 -14.757 553 HG LEU 75 HG LEU 75 -9.946 12.067 -14.405 554 1HD1 LEU 75 1HD1 LEU 75 -8.287 12.141 -12.603 555 2HD1 LEU 75 2HD1 LEU 75 -7.007 12.373 -13.794 556 3HD1 LEU 75 3HD1 LEU 75 -8.253 13.605 -13.586 557 1HD2 LEU 75 1HD2 LEU 75 -7.577 12.178 -16.275 558 2HD2 LEU 75 2HD2 LEU 75 -9.265 11.960 -16.736 559 3HD2 LEU 75 3HD2 LEU 75 -8.738 13.480 -16.014 560 H CYS 76 H CYS 76 -9.100 7.653 -14.208 561 HA CYS 76 HA CYS 76 -7.016 6.417 -15.724 562 1HB CYS 76 1HB CYS 76 -7.745 6.585 -13.137 563 2HB CYS 76 2HB CYS 76 -8.373 4.997 -13.545 564 H ASN 77 H ASN 77 -10.441 6.108 -15.333 565 HA ASN 77 HA ASN 77 -12.014 4.657 -16.153 566 1HB ASN 77 1HB ASN 77 -10.691 5.743 -18.242 567 2HB ASN 77 2HB ASN 77 -10.351 4.040 -18.536 568 2HD2 ASN 77 2HD2 ASN 77 -12.580 2.766 -17.844 569 1HD2 ASN 77 1HD2 ASN 77 -13.923 3.291 -18.796 570 H ILE 78 H ILE 78 -10.799 3.370 -14.304 571 HA ILE 78 HA ILE 78 -10.037 0.786 -15.459 572 HB ILE 78 HB ILE 78 -8.305 0.515 -14.061 573 1HG1 ILE 78 1HG1 ILE 78 -10.191 1.574 -12.062 574 2HG1 ILE 78 2HG1 ILE 78 -9.025 0.264 -11.925 575 1HG2 ILE 78 1HG2 ILE 78 -8.003 2.698 -15.173 576 2HG2 ILE 78 2HG2 ILE 78 -8.632 3.486 -13.728 577 3HG2 ILE 78 3HG2 ILE 78 -7.130 2.566 -13.648 578 1HD1 ILE 78 1HD1 ILE 78 -7.246 2.004 -11.667 579 2HD1 ILE 78 2HD1 ILE 78 -8.533 3.207 -11.575 580 3HD1 ILE 78 3HD1 ILE 78 -8.425 1.935 -10.358 581 HA PRO 79 HA PRO 79 -13.320 -0.996 -13.073 582 1HB PRO 79 1HB PRO 79 -12.476 -3.539 -12.804 583 2HB PRO 79 2HB PRO 79 -12.973 -2.890 -14.372 584 1HG PRO 79 1HG PRO 79 -10.222 -3.301 -13.277 585 2HG PRO 79 2HG PRO 79 -10.833 -3.605 -14.913 586 1HD PRO 79 1HD PRO 79 -9.404 -1.373 -14.197 587 2HD PRO 79 2HD PRO 79 -10.549 -1.427 -15.552 588 H CYS 80 H CYS 80 -13.548 -0.354 -11.009 589 HA CYS 80 HA CYS 80 -11.488 -0.239 -9.127 590 1HB CYS 80 1HB CYS 80 -14.418 -0.363 -8.445 591 2HB CYS 80 2HB CYS 80 -13.132 0.461 -7.567 592 H SER 81 H SER 81 -14.317 -2.427 -9.031 593 HA SER 81 HA SER 81 -13.338 -4.012 -6.934 594 1HB SER 81 1HB SER 81 -15.123 -5.516 -7.413 595 2HB SER 81 2HB SER 81 -15.721 -3.904 -7.808 596 HG SER 81 HG SER 81 -15.308 -6.065 -9.432 597 H ALA 82 H ALA 82 -12.511 -4.015 -10.293 598 HA ALA 82 HA ALA 82 -11.411 -6.706 -10.193 599 1HB ALA 82 1HB ALA 82 -12.423 -5.166 -12.239 600 2HB ALA 82 2HB ALA 82 -11.518 -6.669 -12.420 601 3HB ALA 82 3HB ALA 82 -10.683 -5.118 -12.518 602 H LEU 83 H LEU 83 -10.421 -3.511 -9.602 603 HA LEU 83 HA LEU 83 -7.592 -4.059 -10.013 604 1HB LEU 83 1HB LEU 83 -7.252 -1.822 -9.956 605 2HB LEU 83 2HB LEU 83 -8.964 -1.785 -10.326 606 HG LEU 83 HG LEU 83 -9.100 -1.754 -7.638 607 1HD1 LEU 83 1HD1 LEU 83 -6.388 -0.792 -8.377 608 2HD1 LEU 83 2HD1 LEU 83 -7.273 0.077 -7.123 609 3HD1 LEU 83 3HD1 LEU 83 -6.933 -1.643 -6.932 610 1HD2 LEU 83 1HD2 LEU 83 -9.877 -0.121 -9.546 611 2HD2 LEU 83 2HD2 LEU 83 -9.811 0.411 -7.866 612 3HD2 LEU 83 3HD2 LEU 83 -8.511 0.838 -8.979 613 H LEU 84 H LEU 84 -9.823 -4.697 -7.704 614 HA LEU 84 HA LEU 84 -7.945 -4.427 -5.467 615 1HB LEU 84 1HB LEU 84 -10.884 -5.091 -5.387 616 2HB LEU 84 2HB LEU 84 -9.864 -4.685 -4.022 617 HG LEU 84 HG LEU 84 -10.785 -2.865 -6.230 618 1HD1 LEU 84 1HD1 LEU 84 -12.292 -3.336 -4.287 619 2HD1 LEU 84 2HD1 LEU 84 -11.073 -2.596 -3.249 620 3HD1 LEU 84 3HD1 LEU 84 -11.861 -1.639 -4.504 621 1HD2 LEU 84 1HD2 LEU 84 -8.317 -2.758 -4.815 622 2HD2 LEU 84 2HD2 LEU 84 -8.974 -1.608 -5.978 623 3HD2 LEU 84 3HD2 LEU 84 -9.339 -1.431 -4.263 624 H SER 85 H SER 85 -8.653 -6.605 -7.739 625 HA SER 85 HA SER 85 -9.062 -9.015 -6.303 626 1HB SER 85 1HB SER 85 -8.589 -8.217 -9.050 627 2HB SER 85 2HB SER 85 -7.684 -9.675 -8.643 628 HG SER 85 HG SER 85 -9.855 -10.314 -7.674 629 H SER 86 H SER 86 -7.209 -10.772 -7.038 630 HA SER 86 HA SER 86 -5.020 -10.153 -5.260 631 1HB SER 86 1HB SER 86 -4.340 -12.572 -6.210 632 2HB SER 86 2HB SER 86 -5.548 -12.360 -4.942 633 HG SER 86 HG SER 86 -6.007 -12.702 -7.720 634 H ASP 87 H ASP 87 -5.303 -8.712 -7.806 635 HA ASP 87 HA ASP 87 -2.637 -9.276 -8.905 636 1HB ASP 87 1HB ASP 87 -4.308 -10.135 -10.461 637 2HB ASP 87 2HB ASP 87 -5.133 -8.581 -10.457 638 H ILE 88 H ILE 88 -1.338 -7.565 -8.697 639 HA ILE 88 HA ILE 88 -2.419 -4.994 -7.977 640 HB ILE 88 HB ILE 88 0.169 -4.426 -8.258 641 1HG1 ILE 88 1HG1 ILE 88 0.495 -7.225 -7.329 642 2HG1 ILE 88 2HG1 ILE 88 0.297 -6.985 -9.061 643 1HG2 ILE 88 1HG2 ILE 88 -1.560 -5.035 -6.158 644 2HG2 ILE 88 2HG2 ILE 88 -0.087 -5.951 -5.839 645 3HG2 ILE 88 3HG2 ILE 88 -0.008 -4.203 -6.064 646 1HD1 ILE 88 1HD1 ILE 88 2.218 -5.153 -7.883 647 2HD1 ILE 88 2HD1 ILE 88 2.651 -6.850 -7.668 648 3HD1 ILE 88 3HD1 ILE 88 2.367 -6.211 -9.286 649 H THR 89 H THR 89 -1.906 -6.500 -10.903 650 HA THR 89 HA THR 89 -0.657 -4.675 -12.529 651 HB THR 89 HB THR 89 -3.088 -6.342 -13.209 652 HG1 THR 89 HG1 THR 89 -0.947 -7.371 -14.272 653 1HG2 THR 89 1HG2 THR 89 -1.784 -4.340 -14.731 654 2HG2 THR 89 2HG2 THR 89 -1.335 -5.901 -15.418 655 3HG2 THR 89 3HG2 THR 89 -3.036 -5.467 -15.256 656 H ALA 90 H ALA 90 -4.147 -4.746 -11.748 657 HA ALA 90 HA ALA 90 -4.785 -2.466 -13.191 658 1HB ALA 90 1HB ALA 90 -6.488 -4.026 -12.628 659 2HB ALA 90 2HB ALA 90 -6.886 -2.486 -11.867 660 3HB ALA 90 3HB ALA 90 -6.198 -3.794 -10.904 661 H SER 91 H SER 91 -4.214 -2.854 -9.682 662 HA SER 91 HA SER 91 -4.626 -0.158 -9.000 663 1HB SER 91 1HB SER 91 -2.609 -1.694 -7.453 664 2HB SER 91 2HB SER 91 -3.992 -0.758 -6.884 665 HG SER 91 HG SER 91 -4.294 -3.007 -6.587 666 H VAL 92 H VAL 92 -1.846 -1.841 -10.233 667 HA VAL 92 HA VAL 92 -0.110 0.415 -9.763 668 HB VAL 92 HB VAL 92 0.397 -2.155 -11.263 669 1HG1 VAL 92 1HG1 VAL 92 2.165 0.251 -10.860 670 2HG1 VAL 92 2HG1 VAL 92 2.813 -1.350 -11.218 671 3HG1 VAL 92 3HG1 VAL 92 1.742 -0.553 -12.372 672 1HG2 VAL 92 1HG2 VAL 92 0.250 -1.916 -8.642 673 2HG2 VAL 92 2HG2 VAL 92 1.494 -2.912 -9.398 674 3HG2 VAL 92 3HG2 VAL 92 1.888 -1.288 -8.836 675 H ASN 93 H ASN 93 -1.970 -0.868 -12.453 676 HA ASN 93 HA ASN 93 -0.769 0.557 -14.460 677 1HB ASN 93 1HB ASN 93 -2.214 -0.686 -15.582 678 2HB ASN 93 2HB ASN 93 -3.092 -1.008 -14.110 679 2HD2 ASN 93 2HD2 ASN 93 -5.002 -0.008 -13.739 680 1HD2 ASN 93 1HD2 ASN 93 -5.744 1.099 -14.839 681 H CYS 94 H CYS 94 -3.370 1.340 -12.273 682 HA CYS 94 HA CYS 94 -3.959 3.890 -13.320 683 1HB CYS 94 1HB CYS 94 -5.238 2.360 -11.576 684 2HB CYS 94 2HB CYS 94 -4.337 3.332 -10.415 685 H ALA 95 H ALA 95 -1.898 2.841 -10.597 686 HA ALA 95 HA ALA 95 -1.069 5.494 -9.977 687 1HB ALA 95 1HB ALA 95 -0.864 3.828 -8.294 688 2HB ALA 95 2HB ALA 95 0.215 2.869 -9.306 689 3HB ALA 95 3HB ALA 95 0.743 4.435 -8.690 690 H LYS 96 H LYS 96 0.079 3.029 -12.166 691 HA LYS 96 HA LYS 96 2.604 3.976 -12.794 692 1HB LYS 96 1HB LYS 96 0.511 2.441 -14.245 693 2HB LYS 96 2HB LYS 96 1.748 3.196 -15.239 694 1HG LYS 96 1HG LYS 96 3.426 2.067 -13.665 695 2HG LYS 96 2HG LYS 96 2.058 1.083 -13.142 696 1HD LYS 96 1HD LYS 96 1.800 0.889 -15.821 697 2HD LYS 96 2HD LYS 96 3.551 1.063 -15.685 698 1HE LYS 96 1HE LYS 96 3.307 -1.221 -15.534 699 2HE LYS 96 2HE LYS 96 3.303 -0.755 -13.834 700 1HZ LYS 96 1HZ LYS 96 0.844 -0.766 -13.941 701 2HZ LYS 96 2HZ LYS 96 0.938 -1.383 -15.513 702 3HZ LYS 96 3HZ LYS 96 1.533 -2.288 -14.213 703 H LYS 97 H LYS 97 -0.580 4.912 -13.727 704 HA LYS 97 HA LYS 97 0.217 7.046 -15.514 705 1HB LYS 97 1HB LYS 97 -2.117 5.584 -15.157 706 2HB LYS 97 2HB LYS 97 -2.526 7.173 -14.522 707 1HG LYS 97 1HG LYS 97 -2.709 8.018 -16.561 708 2HG LYS 97 2HG LYS 97 -1.120 7.406 -17.025 709 1HD LYS 97 1HD LYS 97 -2.045 5.789 -18.241 710 2HD LYS 97 2HD LYS 97 -3.000 5.242 -16.861 711 1HE LYS 97 1HE LYS 97 -3.762 7.563 -18.625 712 2HE LYS 97 2HE LYS 97 -4.341 5.916 -18.865 713 1HZ LYS 97 1HZ LYS 97 -4.856 6.409 -16.240 714 2HZ LYS 97 2HZ LYS 97 -5.202 7.890 -16.978 715 3HZ LYS 97 3HZ LYS 97 -5.984 6.483 -17.498 716 H ILE 98 H ILE 98 -0.693 6.630 -12.170 717 HA ILE 98 HA ILE 98 -1.205 9.294 -11.498 718 HB ILE 98 HB ILE 98 -0.199 7.012 -9.832 719 1HG1 ILE 98 1HG1 ILE 98 -2.866 8.454 -9.888 720 2HG1 ILE 98 2HG1 ILE 98 -2.537 6.934 -10.715 721 1HG2 ILE 98 1HG2 ILE 98 -0.774 9.849 -9.033 722 2HG2 ILE 98 2HG2 ILE 98 -0.861 8.514 -7.883 723 3HG2 ILE 98 3HG2 ILE 98 0.660 8.880 -8.697 724 1HD1 ILE 98 1HD1 ILE 98 -1.807 6.738 -7.945 725 2HD1 ILE 98 2HD1 ILE 98 -3.473 7.293 -8.113 726 3HD1 ILE 98 3HD1 ILE 98 -2.965 5.785 -8.875 727 H VAL 99 H VAL 99 1.741 7.393 -11.272 728 HA VAL 99 HA VAL 99 3.389 9.586 -10.481 729 HB VAL 99 HB VAL 99 3.839 7.183 -9.913 730 1HG1 VAL 99 1HG1 VAL 99 3.653 6.833 -12.668 731 2HG1 VAL 99 2HG1 VAL 99 5.363 6.616 -12.296 732 3HG1 VAL 99 3HG1 VAL 99 4.150 5.633 -11.475 733 1HG2 VAL 99 1HG2 VAL 99 5.735 9.201 -10.814 734 2HG2 VAL 99 2HG2 VAL 99 5.736 8.220 -9.349 735 3HG2 VAL 99 3HG2 VAL 99 6.394 7.566 -10.849 736 H SER 100 H SER 100 2.292 8.338 -13.513 737 HA SER 100 HA SER 100 4.457 9.522 -15.036 738 1HB SER 100 1HB SER 100 3.285 7.410 -15.745 739 2HB SER 100 2HB SER 100 1.851 8.384 -16.069 740 HG SER 100 HG SER 100 2.906 8.287 -17.979 741 H ASP 101 H ASP 101 1.608 10.572 -13.613 742 HA ASP 101 HA ASP 101 1.810 13.145 -14.922 743 1HB ASP 101 1HB ASP 101 -0.307 11.232 -15.583 744 2HB ASP 101 2HB ASP 101 -0.919 12.803 -15.075 745 H GLY 102 H GLY 102 2.419 13.726 -12.760 746 1HA GLY 102 1HA GLY 102 0.348 13.520 -10.710 747 2HA GLY 102 2HA GLY 102 0.799 15.136 -11.235 748 H ASN 103 H ASN 103 1.424 12.705 -9.043 749 HA ASN 103 HA ASN 103 4.127 13.729 -8.478 750 1HB ASN 103 1HB ASN 103 1.783 13.422 -6.629 751 2HB ASN 103 2HB ASN 103 3.422 13.283 -6.000 752 2HD2 ASN 103 2HD2 ASN 103 4.306 15.081 -5.304 753 1HD2 ASN 103 1HD2 ASN 103 3.868 16.684 -5.779 754 H GLY 104 H GLY 104 5.615 12.239 -7.650 755 1HA GLY 104 1HA GLY 104 6.587 10.160 -7.601 756 2HA GLY 104 2HA GLY 104 5.158 9.531 -8.404 757 H MET 105 H MET 105 6.968 9.134 -5.764 758 HA MET 105 HA MET 105 4.930 7.688 -4.358 759 1HB MET 105 1HB MET 105 7.564 8.272 -3.089 760 2HB MET 105 2HB MET 105 6.643 6.774 -3.121 761 1HG MET 105 1HG MET 105 8.303 7.928 -5.345 762 2HG MET 105 2HG MET 105 8.658 6.496 -4.381 763 1HE MET 105 1HE MET 105 6.499 5.047 -3.921 764 2HE MET 105 2HE MET 105 5.031 5.368 -4.844 765 3HE MET 105 3HE MET 105 6.063 4.005 -5.275 766 H ASN 106 H ASN 106 5.895 10.862 -4.484 767 HA ASN 106 HA ASN 106 5.573 11.584 -1.743 768 1HB ASN 106 1HB ASN 106 5.301 13.577 -3.943 769 2HB ASN 106 2HB ASN 106 6.184 13.682 -2.428 770 2HD2 ASN 106 2HD2 ASN 106 6.348 12.945 -5.739 771 1HD2 ASN 106 1HD2 ASN 106 8.016 12.497 -5.793 772 H ALA 107 H ALA 107 3.498 11.284 -4.531 773 HA ALA 107 HA ALA 107 1.379 12.933 -3.851 774 1HB ALA 107 1HB ALA 107 1.789 11.387 -5.922 775 2HB ALA 107 2HB ALA 107 0.146 11.802 -5.433 776 3HB ALA 107 3HB ALA 107 0.827 10.234 -4.998 777 H TRP 108 H TRP 108 1.956 9.568 -2.907 778 HA TRP 108 HA TRP 108 -0.358 9.504 -1.207 779 1HB TRP 108 1HB TRP 108 1.902 7.516 -1.504 780 2HB TRP 108 2HB TRP 108 0.375 7.227 -0.672 781 HD1 TRP 108 HD1 TRP 108 -1.862 7.134 -2.242 782 HE1 TRP 108 HE1 TRP 108 -2.146 6.458 -4.710 783 HE3 TRP 108 HE3 TRP 108 3.005 7.515 -3.753 784 HZ2 TRP 108 HZ2 TRP 108 -0.519 6.125 -7.004 785 HZ3 TRP 108 HZ3 TRP 108 3.557 7.007 -6.094 786 HH2 TRP 108 HH2 TRP 108 1.833 6.323 -7.682 787 H VAL 109 H VAL 109 -0.449 9.636 0.954 788 HA VAL 109 HA VAL 109 1.627 11.083 2.283 789 HB VAL 109 HB VAL 109 -0.599 10.005 3.799 790 1HG1 VAL 109 1HG1 VAL 109 1.126 12.370 3.791 791 2HG1 VAL 109 2HG1 VAL 109 -0.551 12.669 4.250 792 3HG1 VAL 109 3HG1 VAL 109 0.413 11.494 5.145 793 1HG2 VAL 109 1HG2 VAL 109 -0.931 11.914 1.519 794 2HG2 VAL 109 2HG2 VAL 109 -1.866 10.463 1.885 795 3HG2 VAL 109 3HG2 VAL 109 -2.047 11.905 2.885 796 H ALA 110 H ALA 110 0.856 7.737 2.120 797 HA ALA 110 HA ALA 110 1.890 7.062 4.702 798 1HB ALA 110 1HB ALA 110 1.573 5.245 2.316 799 2HB ALA 110 2HB ALA 110 1.696 4.773 4.012 800 3HB ALA 110 3HB ALA 110 0.273 5.642 3.441 801 H TRP 111 H TRP 111 3.203 7.438 1.505 802 HA TRP 111 HA TRP 111 5.755 6.295 2.239 803 1HB TRP 111 1HB TRP 111 4.998 6.106 -0.086 804 2HB TRP 111 2HB TRP 111 4.956 7.855 -0.231 805 HD1 TRP 111 HD1 TRP 111 7.310 4.905 -0.376 806 HE1 TRP 111 HE1 TRP 111 9.648 5.712 -1.089 807 HE3 TRP 111 HE3 TRP 111 6.568 9.954 -0.040 808 HZ2 TRP 111 HZ2 TRP 111 10.999 8.162 -1.458 809 HZ3 TRP 111 HZ3 TRP 111 8.435 11.459 -0.590 810 HH2 TRP 111 HH2 TRP 111 10.604 10.580 -1.284 811 H ARG 112 H ARG 112 4.230 9.454 2.014 812 HA ARG 112 HA ARG 112 6.723 10.806 2.691 813 1HB ARG 112 1HB ARG 112 4.031 11.622 1.750 814 2HB ARG 112 2HB ARG 112 4.935 12.770 2.725 815 1HG ARG 112 1HG ARG 112 6.817 11.998 0.922 816 2HG ARG 112 2HG ARG 112 5.343 11.919 -0.045 817 1HD ARG 112 1HD ARG 112 4.885 14.183 0.245 818 2HD ARG 112 2HD ARG 112 5.929 14.309 1.660 819 HE ARG 112 HE ARG 112 7.713 13.747 -0.226 820 1HH1 ARG 112 1HH1 ARG 112 5.047 15.991 -0.245 821 2HH1 ARG 112 2HH1 ARG 112 5.818 17.097 -1.334 822 1HH2 ARG 112 1HH2 ARG 112 8.734 15.197 -1.659 823 2HH2 ARG 112 2HH2 ARG 112 7.913 16.645 -2.137 824 H ASN 113 H ASN 113 6.048 9.100 4.655 825 HA ASN 113 HA ASN 113 5.611 10.878 6.874 826 1HB ASN 113 1HB ASN 113 3.296 10.087 6.068 827 2HB ASN 113 2HB ASN 113 3.755 8.513 6.711 828 2HD2 ASN 113 2HD2 ASN 113 2.224 8.493 8.307 829 1HD2 ASN 113 1HD2 ASN 113 2.278 9.541 9.680 830 H ARG 114 H ARG 114 5.574 7.413 6.067 831 HA ARG 114 HA ARG 114 7.484 6.974 8.263 832 1HB ARG 114 1HB ARG 114 5.190 5.410 7.224 833 2HB ARG 114 2HB ARG 114 6.582 4.504 7.789 834 1HG ARG 114 1HG ARG 114 5.609 4.638 9.794 835 2HG ARG 114 2HG ARG 114 6.223 6.292 9.815 836 1HD ARG 114 1HD ARG 114 3.964 6.719 8.472 837 2HD ARG 114 2HD ARG 114 3.468 5.288 9.372 838 HE ARG 114 HE ARG 114 4.312 7.846 10.553 839 1HH1 ARG 114 1HH1 ARG 114 2.764 4.735 10.813 840 2HH1 ARG 114 2HH1 ARG 114 2.100 5.053 12.380 841 1HH2 ARG 114 1HH2 ARG 114 3.443 8.273 12.616 842 2HH2 ARG 114 2HH2 ARG 114 2.486 7.064 13.406 843 H CYS 115 H CYS 115 7.487 7.313 5.024 844 HA CYS 115 HA CYS 115 9.528 5.225 4.634 845 1HB CYS 115 1HB CYS 115 7.580 6.492 2.733 846 2HB CYS 115 2HB CYS 115 9.037 5.700 2.141 847 H LYS 116 H LYS 116 8.728 8.579 3.730 848 HA LYS 116 HA LYS 116 11.200 9.191 2.559 849 1HB LYS 116 1HB LYS 116 8.946 10.497 2.564 850 2HB LYS 116 2HB LYS 116 9.580 11.248 4.022 851 1HG LYS 116 1HG LYS 116 11.689 11.614 2.448 852 2HG LYS 116 2HG LYS 116 10.439 11.541 1.206 853 1HD LYS 116 1HD LYS 116 9.184 13.225 2.734 854 2HD LYS 116 2HD LYS 116 10.777 13.502 3.441 855 1HE LYS 116 1HE LYS 116 11.613 13.920 1.100 856 2HE LYS 116 2HE LYS 116 9.930 13.904 0.580 857 1HZ LYS 116 1HZ LYS 116 9.561 15.699 2.282 858 2HZ LYS 116 2HZ LYS 116 11.243 15.816 2.421 859 3HZ LYS 116 3HZ LYS 116 10.492 16.143 0.942 860 H GLY 117 H GLY 117 12.881 8.410 3.848 861 1HA GLY 117 1HA GLY 117 13.201 9.712 6.471 862 2HA GLY 117 2HA GLY 117 14.491 9.792 5.283 863 H THR 118 H THR 118 13.244 6.848 4.731 864 HA THR 118 HA THR 118 14.937 5.569 6.776 865 HB THR 118 HB THR 118 13.529 3.562 6.540 866 HG1 THR 118 HG1 THR 118 11.677 3.633 5.279 867 1HG2 THR 118 1HG2 THR 118 13.006 5.224 8.278 868 2HG2 THR 118 2HG2 THR 118 11.919 6.043 7.156 869 3HG2 THR 118 3HG2 THR 118 11.556 4.404 7.697 870 H ASP 119 H ASP 119 14.596 2.973 5.380 871 HA ASP 119 HA ASP 119 16.244 3.459 3.008 872 1HB ASP 119 1HB ASP 119 17.385 2.614 5.186 873 2HB ASP 119 2HB ASP 119 16.758 1.083 4.624 874 H VAL 120 H VAL 120 14.775 3.015 1.463 875 HA VAL 120 HA VAL 120 12.931 0.856 1.601 876 HB VAL 120 HB VAL 120 12.459 1.385 -0.772 877 1HG1 VAL 120 1HG1 VAL 120 11.473 2.642 1.197 878 2HG1 VAL 120 2HG1 VAL 120 12.618 3.930 0.821 879 3HG1 VAL 120 3HG1 VAL 120 11.405 3.455 -0.366 880 1HG2 VAL 120 1HG2 VAL 120 14.787 2.015 -1.372 881 2HG2 VAL 120 2HG2 VAL 120 13.581 3.188 -1.899 882 3HG2 VAL 120 3HG2 VAL 120 14.570 3.518 -0.477 883 H GLN 121 H GLN 121 16.106 1.342 0.179 884 HA GLN 121 HA GLN 121 16.206 -0.933 -1.457 885 1HB GLN 121 1HB GLN 121 17.897 1.093 -1.062 886 2HB GLN 121 2HB GLN 121 18.663 -0.080 0.001 887 1HG GLN 121 1HG GLN 121 19.766 -0.678 -1.849 888 2HG GLN 121 2HG GLN 121 18.297 -1.584 -2.210 889 2HE2 GLN 121 2HE2 GLN 121 17.203 -1.114 -4.004 890 1HE2 GLN 121 1HE2 GLN 121 17.528 0.225 -5.048 891 H ALA 122 H ALA 122 16.300 -0.521 1.940 892 HA ALA 122 HA ALA 122 17.378 -3.175 2.452 893 1HB ALA 122 1HB ALA 122 17.320 -0.756 3.890 894 2HB ALA 122 2HB ALA 122 16.343 -1.906 4.802 895 3HB ALA 122 3HB ALA 122 18.013 -2.298 4.392 896 H TRP 123 H TRP 123 14.340 -1.564 2.122 897 HA TRP 123 HA TRP 123 12.716 -3.225 3.705 898 1HB TRP 123 1HB TRP 123 12.263 -1.387 1.414 899 2HB TRP 123 2HB TRP 123 10.990 -2.547 1.775 900 HD1 TRP 123 HD1 TRP 123 11.555 0.856 2.405 901 HE1 TRP 123 HE1 TRP 123 10.585 1.657 4.652 902 HE3 TRP 123 HE3 TRP 123 10.908 -3.648 4.701 903 HZ2 TRP 123 HZ2 TRP 123 9.679 0.493 7.049 904 HZ3 TRP 123 HZ3 TRP 123 9.987 -3.726 6.961 905 HH2 TRP 123 HH2 TRP 123 9.379 -1.674 8.124 906 H ILE 124 H ILE 124 14.373 -3.866 0.793 907 HA ILE 124 HA ILE 124 12.866 -6.380 0.469 908 HB ILE 124 HB ILE 124 13.746 -6.275 -1.945 909 1HG1 ILE 124 1HG1 ILE 124 13.541 -3.539 -2.364 910 2HG1 ILE 124 2HG1 ILE 124 14.532 -3.663 -0.914 911 1HG2 ILE 124 1HG2 ILE 124 11.358 -5.660 -0.801 912 2HG2 ILE 124 2HG2 ILE 124 11.698 -4.196 -1.723 913 3HG2 ILE 124 3HG2 ILE 124 11.649 -5.758 -2.538 914 1HD1 ILE 124 1HD1 ILE 124 16.070 -5.145 -2.105 915 2HD1 ILE 124 2HD1 ILE 124 15.084 -4.989 -3.556 916 3HD1 ILE 124 3HD1 ILE 124 15.912 -3.578 -2.898 917 H ARG 125 H ARG 125 15.472 -5.347 1.812 918 HA ARG 125 HA ARG 125 17.636 -6.679 0.577 919 1HB ARG 125 1HB ARG 125 17.756 -4.863 2.348 920 2HB ARG 125 2HB ARG 125 17.381 -6.110 3.529 921 1HG ARG 125 1HG ARG 125 19.591 -6.347 3.692 922 2HG ARG 125 2HG ARG 125 19.462 -7.234 2.172 923 1HD ARG 125 1HD ARG 125 19.569 -4.373 1.742 924 2HD ARG 125 2HD ARG 125 20.967 -4.946 2.649 925 HE ARG 125 HE ARG 125 21.254 -6.589 0.780 926 1HH1 ARG 125 1HH1 ARG 125 19.613 -3.556 0.287 927 2HH1 ARG 125 2HH1 ARG 125 19.982 -3.483 -1.403 928 1HH2 ARG 125 1HH2 ARG 125 21.747 -6.501 -1.445 929 2HH2 ARG 125 2HH2 ARG 125 21.194 -5.157 -2.387 930 H GLY 126 H GLY 126 16.950 -8.770 0.031 931 1HA GLY 126 1HA GLY 126 16.430 -10.575 2.305 932 2HA GLY 126 2HA GLY 126 17.663 -10.968 1.117 933 H CYS 127 H CYS 127 15.125 -9.386 -0.376 934 HA CYS 127 HA CYS 127 13.375 -11.609 -0.723 935 1HB CYS 127 1HB CYS 127 13.485 -8.845 -1.625 936 2HB CYS 127 2HB CYS 127 12.577 -9.943 -2.644 937 H ARG 128 H ARG 128 13.443 -13.162 -2.218 938 HA ARG 128 HA ARG 128 15.653 -13.269 -4.050 939 1HB ARG 128 1HB ARG 128 13.291 -15.138 -3.784 940 2HB ARG 128 2HB ARG 128 14.781 -15.468 -4.656 941 1HG ARG 128 1HG ARG 128 16.002 -15.778 -2.735 942 2HG ARG 128 2HG ARG 128 14.912 -14.792 -1.757 943 1HD ARG 128 1HD ARG 128 13.192 -16.553 -1.963 944 2HD ARG 128 2HD ARG 128 14.344 -17.543 -2.857 945 HE ARG 128 HE ARG 128 15.122 -16.660 -0.190 946 1HH1 ARG 128 1HH1 ARG 128 13.941 -19.207 -2.253 947 2HH1 ARG 128 2HH1 ARG 128 14.337 -20.471 -1.135 948 1HH2 ARG 128 1HH2 ARG 128 15.646 -18.316 1.287 949 2HH2 ARG 128 2HH2 ARG 128 15.306 -19.964 0.876 950 H LEU 129 H LEU 129 15.375 -11.624 -5.540 951 HA LEU 129 HA LEU 129 13.512 -12.206 -7.672 952 1HB LEU 129 1HB LEU 129 12.382 -10.126 -7.693 953 2HB LEU 129 2HB LEU 129 12.263 -10.745 -6.057 954 HG LEU 129 HG LEU 129 14.544 -9.162 -5.998 955 1HD1 LEU 129 1HD1 LEU 129 13.085 -8.360 -8.241 956 2HD1 LEU 129 2HD1 LEU 129 12.716 -7.176 -6.986 957 3HD1 LEU 129 3HD1 LEU 129 14.392 -7.485 -7.441 958 1HD2 LEU 129 1HD2 LEU 129 12.629 -9.468 -4.351 959 2HD2 LEU 129 2HD2 LEU 129 13.333 -7.856 -4.468 960 3HD2 LEU 129 3HD2 LEU 129 11.796 -8.205 -5.257 No H/Q in entry = 960 Start of MODEL 45 1 H1 LYS 1 H1 LYS 1 -6.425 -10.026 2.497 2 H2 LYS 1 H2 LYS 1 -7.656 -10.443 1.412 3 H3 LYS 1 H3 LYS 1 -7.178 -11.536 2.611 4 HA LYS 1 HA LYS 1 -5.320 -12.185 1.529 5 1HB LYS 1 1HB LYS 1 -7.554 -12.229 0.083 6 2HB LYS 1 2HB LYS 1 -6.621 -11.154 -0.951 7 1HG LYS 1 1HG LYS 1 -4.815 -13.105 -0.575 8 2HG LYS 1 2HG LYS 1 -6.307 -14.037 -0.436 9 1HD LYS 1 1HD LYS 1 -6.429 -12.191 -2.655 10 2HD LYS 1 2HD LYS 1 -5.026 -13.253 -2.785 11 1HE LYS 1 1HE LYS 1 -7.758 -14.326 -2.161 12 2HE LYS 1 2HE LYS 1 -7.238 -14.039 -3.822 13 1HZ LYS 1 1HZ LYS 1 -5.443 -15.574 -2.105 14 2HZ LYS 1 2HZ LYS 1 -6.865 -16.339 -2.609 15 3HZ LYS 1 3HZ LYS 1 -5.773 -15.748 -3.755 16 H VAL 2 H VAL 2 -3.718 -10.696 2.237 17 HA VAL 2 HA VAL 2 -3.149 -8.402 0.522 18 HB VAL 2 HB VAL 2 -1.944 -9.324 3.132 19 1HG1 VAL 2 1HG1 VAL 2 -0.491 -8.025 1.260 20 2HG1 VAL 2 2HG1 VAL 2 -1.227 -6.662 2.099 21 3HG1 VAL 2 3HG1 VAL 2 -0.257 -7.828 2.995 22 1HG2 VAL 2 1HG2 VAL 2 -4.199 -7.779 2.544 23 2HG2 VAL 2 2HG2 VAL 2 -3.418 -7.983 4.112 24 3HG2 VAL 2 3HG2 VAL 2 -2.961 -6.637 3.068 25 H PHE 3 H PHE 3 -1.186 -8.125 -0.588 26 HA PHE 3 HA PHE 3 -0.029 -10.418 -1.748 27 1HB PHE 3 1HB PHE 3 0.554 -7.486 -1.749 28 2HB PHE 3 2HB PHE 3 1.796 -8.582 -2.329 29 HD1 PHE 3 HD1 PHE 3 -1.557 -7.252 -2.918 30 HD2 PHE 3 HD2 PHE 3 1.570 -9.714 -4.415 31 HE1 PHE 3 HE1 PHE 3 -2.627 -7.254 -5.128 32 HE2 PHE 3 HE2 PHE 3 0.506 -9.724 -6.630 33 HZ PHE 3 HZ PHE 3 -1.596 -8.496 -6.991 34 H GLY 4 H GLY 4 2.288 -10.902 -1.671 35 1HA GLY 4 1HA GLY 4 3.906 -11.898 -0.287 36 2HA GLY 4 2HA GLY 4 3.226 -11.026 1.084 37 H ARG 5 H ARG 5 5.494 -10.512 1.600 38 HA ARG 5 HA ARG 5 6.170 -7.911 0.881 39 1HB ARG 5 1HB ARG 5 7.218 -9.916 2.595 40 2HB ARG 5 2HB ARG 5 8.552 -9.324 1.614 41 1HG ARG 5 1HG ARG 5 8.705 -7.792 3.250 42 2HG ARG 5 2HG ARG 5 7.436 -6.987 2.325 43 1HD ARG 5 1HD ARG 5 6.849 -8.951 4.526 44 2HD ARG 5 2HD ARG 5 7.048 -7.224 4.821 45 HE ARG 5 HE ARG 5 5.187 -7.276 2.877 46 1HH1 ARG 5 1HH1 ARG 5 5.464 -8.953 5.919 47 2HH1 ARG 5 2HH1 ARG 5 3.753 -9.063 6.161 48 1HH2 ARG 5 1HH2 ARG 5 2.932 -7.415 3.188 49 2HH2 ARG 5 2HH2 ARG 5 2.314 -8.189 4.609 50 H CYS 6 H CYS 6 8.031 -10.814 -0.059 51 HA CYS 6 HA CYS 6 9.245 -9.320 -2.196 52 1HB CYS 6 1HB CYS 6 9.461 -12.295 -1.965 53 2HB CYS 6 2HB CYS 6 10.637 -11.118 -2.542 54 H GLU 7 H GLU 7 6.730 -11.760 -1.861 55 HA GLU 7 HA GLU 7 6.364 -12.556 -4.468 56 1HB GLU 7 1HB GLU 7 4.153 -11.799 -2.541 57 2HB GLU 7 2HB GLU 7 3.985 -12.842 -3.946 58 1HG GLU 7 1HG GLU 7 5.886 -13.507 -1.731 59 2HG GLU 7 2HG GLU 7 4.176 -13.927 -1.638 60 H LEU 8 H LEU 8 5.101 -9.674 -2.879 61 HA LEU 8 HA LEU 8 3.903 -8.523 -5.152 62 1HB LEU 8 1HB LEU 8 3.314 -7.856 -2.887 63 2HB LEU 8 2HB LEU 8 4.938 -7.273 -2.605 64 HG LEU 8 HG LEU 8 2.979 -5.612 -3.129 65 1HD1 LEU 8 1HD1 LEU 8 5.822 -5.533 -4.014 66 2HD1 LEU 8 2HD1 LEU 8 4.747 -4.195 -4.420 67 3HD1 LEU 8 3HD1 LEU 8 5.011 -4.633 -2.733 68 1HD2 LEU 8 1HD2 LEU 8 2.667 -6.955 -5.377 69 2HD2 LEU 8 2HD2 LEU 8 2.423 -5.210 -5.305 70 3HD2 LEU 8 3HD2 LEU 8 3.936 -5.863 -5.932 71 H ALA 9 H ALA 9 7.144 -8.164 -3.682 72 HA ALA 9 HA ALA 9 8.030 -6.081 -5.347 73 1HB ALA 9 1HB ALA 9 9.222 -6.673 -3.339 74 2HB ALA 9 2HB ALA 9 10.298 -6.770 -4.733 75 3HB ALA 9 3HB ALA 9 9.643 -8.245 -4.020 76 H ALA 10 H ALA 10 8.585 -9.598 -5.705 77 HA ALA 10 HA ALA 10 9.996 -9.558 -8.070 78 1HB ALA 10 1HB ALA 10 9.835 -11.778 -7.899 79 2HB ALA 10 2HB ALA 10 8.078 -11.728 -8.048 80 3HB ALA 10 3HB ALA 10 8.837 -11.513 -6.470 81 H ALA 11 H ALA 11 6.521 -9.353 -7.514 82 HA ALA 11 HA ALA 11 5.761 -9.469 -10.221 83 1HB ALA 11 1HB ALA 11 4.351 -8.319 -7.835 84 2HB ALA 11 2HB ALA 11 4.106 -9.911 -8.554 85 3HB ALA 11 3HB ALA 11 3.619 -8.460 -9.432 86 H MET 12 H MET 12 6.627 -6.929 -8.093 87 HA MET 12 HA MET 12 5.956 -4.698 -9.643 88 1HB MET 12 1HB MET 12 8.417 -4.872 -7.920 89 2HB MET 12 2HB MET 12 7.500 -3.440 -8.318 90 1HG MET 12 1HG MET 12 5.569 -4.773 -7.111 91 2HG MET 12 2HG MET 12 6.943 -5.544 -6.322 92 1HE MET 12 1HE MET 12 5.844 -2.325 -7.722 93 2HE MET 12 2HE MET 12 5.647 -1.239 -6.347 94 3HE MET 12 3HE MET 12 7.216 -1.385 -7.137 95 H LYS 13 H LYS 13 9.047 -6.440 -9.431 96 HA LYS 13 HA LYS 13 10.497 -5.011 -11.297 97 1HB LYS 13 1HB LYS 13 11.286 -6.921 -9.799 98 2HB LYS 13 2HB LYS 13 10.656 -8.013 -11.025 99 1HG LYS 13 1HG LYS 13 12.203 -6.317 -12.508 100 2HG LYS 13 2HG LYS 13 13.108 -6.434 -10.998 101 1HD LYS 13 1HD LYS 13 13.870 -8.429 -11.613 102 2HD LYS 13 2HD LYS 13 12.216 -9.039 -11.678 103 1HE LYS 13 1HE LYS 13 12.662 -7.469 -13.999 104 2HE LYS 13 2HE LYS 13 14.028 -8.569 -13.820 105 1HZ LYS 13 1HZ LYS 13 11.599 -9.932 -13.321 106 2HZ LYS 13 2HZ LYS 13 11.522 -9.159 -14.825 107 3HZ LYS 13 3HZ LYS 13 12.775 -10.248 -14.495 108 H ARG 14 H ARG 14 8.286 -7.725 -11.784 109 HA ARG 14 HA ARG 14 8.652 -7.950 -14.570 110 1HB ARG 14 1HB ARG 14 6.932 -9.096 -12.551 111 2HB ARG 14 2HB ARG 14 6.003 -8.706 -13.992 112 1HG ARG 14 1HG ARG 14 7.243 -10.151 -15.332 113 2HG ARG 14 2HG ARG 14 8.575 -10.227 -14.177 114 1HD ARG 14 1HD ARG 14 7.134 -11.444 -12.610 115 2HD ARG 14 2HD ARG 14 5.816 -11.380 -13.779 116 HE ARG 14 HE ARG 14 7.676 -12.597 -15.218 117 1HH1 ARG 14 1HH1 ARG 14 6.723 -13.119 -11.908 118 2HH1 ARG 14 2HH1 ARG 14 7.130 -14.803 -11.922 119 1HH2 ARG 14 1HH2 ARG 14 8.213 -14.813 -15.247 120 2HH2 ARG 14 2HH2 ARG 14 7.977 -15.766 -13.819 121 H HIS 15 H HIS 15 6.389 -6.096 -12.571 122 HA HIS 15 HA HIS 15 4.954 -5.038 -14.781 123 1HB HIS 15 1HB HIS 15 5.067 -4.397 -11.844 124 2HB HIS 15 2HB HIS 15 4.067 -3.473 -12.960 125 HD1 HIS 15 HD1 HIS 15 2.359 -4.635 -11.014 126 HD2 HIS 15 HD2 HIS 15 3.749 -6.975 -14.153 127 HE1 HIS 15 HE1 HIS 15 0.763 -6.567 -11.167 128 HE2 HIS 15 HE2 HIS 15 1.678 -8.022 -13.010 129 H GLY 16 H GLY 16 8.075 -4.346 -13.736 130 1HA GLY 16 1HA GLY 16 8.135 -2.015 -15.348 131 2HA GLY 16 2HA GLY 16 9.477 -2.733 -14.483 132 H LEU 17 H LEU 17 7.880 -2.439 -11.830 133 HA LEU 17 HA LEU 17 7.690 0.425 -11.653 134 1HB LEU 17 1HB LEU 17 7.711 -1.395 -9.276 135 2HB LEU 17 2HB LEU 17 6.927 0.161 -9.450 136 HG LEU 17 HG LEU 17 5.958 -2.527 -10.118 137 1HD1 LEU 17 1HD1 LEU 17 5.149 -0.358 -8.593 138 2HD1 LEU 17 2HD1 LEU 17 4.020 -0.388 -9.946 139 3HD1 LEU 17 3HD1 LEU 17 4.216 -1.816 -8.932 140 1HD2 LEU 17 1HD2 LEU 17 5.607 -0.235 -12.026 141 2HD2 LEU 17 2HD2 LEU 17 6.008 -1.917 -12.375 142 3HD2 LEU 17 3HD2 LEU 17 4.377 -1.488 -11.859 143 H ASP 18 H ASP 18 10.150 -1.712 -11.610 144 HA ASP 18 HA ASP 18 11.845 -0.427 -9.666 145 1HB ASP 18 1HB ASP 18 12.386 -2.691 -9.972 146 2HB ASP 18 2HB ASP 18 12.272 -2.578 -11.723 147 H ASN 19 H ASN 19 11.977 1.702 -10.203 148 HA ASN 19 HA ASN 19 13.116 3.493 -11.095 149 1HB ASN 19 1HB ASN 19 14.513 1.428 -12.317 150 2HB ASN 19 2HB ASN 19 13.889 2.360 -13.676 151 2HD2 ASN 19 2HD2 ASN 19 15.840 2.488 -10.774 152 1HD2 ASN 19 1HD2 ASN 19 16.737 3.899 -11.210 153 H TYR 20 H TYR 20 10.434 2.914 -11.300 154 HA TYR 20 HA TYR 20 9.622 3.601 -14.025 155 1HB TYR 20 1HB TYR 20 8.455 1.796 -12.685 156 2HB TYR 20 2HB TYR 20 7.796 3.085 -11.681 157 HD1 TYR 20 HD1 TYR 20 7.846 1.678 -15.097 158 HD2 TYR 20 HD2 TYR 20 5.969 4.413 -12.434 159 HE1 TYR 20 HE1 TYR 20 6.021 1.989 -16.714 160 HE2 TYR 20 HE2 TYR 20 4.137 4.731 -14.043 161 HH TYR 20 HH TYR 20 4.291 3.488 -17.272 162 H ARG 21 H ARG 21 9.051 5.573 -14.632 163 HA ARG 21 HA ARG 21 8.653 7.823 -14.557 164 1HB ARG 21 1HB ARG 21 6.993 6.677 -12.481 165 2HB ARG 21 2HB ARG 21 7.560 8.269 -11.997 166 1HG ARG 21 1HG ARG 21 6.183 7.673 -14.607 167 2HG ARG 21 2HG ARG 21 5.379 8.296 -13.164 168 1HD ARG 21 1HD ARG 21 7.576 9.639 -14.736 169 2HD ARG 21 2HD ARG 21 5.881 10.120 -14.668 170 HE ARG 21 HE ARG 21 7.396 10.091 -12.172 171 1HH1 ARG 21 1HH1 ARG 21 5.925 11.911 -14.754 172 2HH1 ARG 21 2HH1 ARG 21 5.941 13.406 -13.882 173 1HH2 ARG 21 1HH2 ARG 21 7.421 12.056 -11.017 174 2HH2 ARG 21 2HH2 ARG 21 6.792 13.490 -11.757 175 H GLY 22 H GLY 22 10.954 6.420 -13.365 176 1HA GLY 22 1HA GLY 22 12.197 8.753 -12.150 177 2HA GLY 22 2HA GLY 22 13.025 7.324 -12.741 178 H TYR 23 H TYR 23 10.647 5.973 -10.924 179 HA TYR 23 HA TYR 23 12.246 6.271 -8.486 180 1HB TYR 23 1HB TYR 23 9.331 6.042 -8.912 181 2HB TYR 23 2HB TYR 23 9.997 5.266 -7.477 182 HD1 TYR 23 HD1 TYR 23 11.726 6.804 -6.142 183 HD2 TYR 23 HD2 TYR 23 8.651 8.244 -8.706 184 HE1 TYR 23 HE1 TYR 23 11.791 8.974 -4.990 185 HE2 TYR 23 HE2 TYR 23 8.707 10.418 -7.559 186 HH TYR 23 HH TYR 23 11.197 11.284 -5.378 187 H SER 24 H SER 24 13.222 4.630 -7.592 188 HA SER 24 HA SER 24 13.276 2.120 -8.957 189 1HB SER 24 1HB SER 24 15.020 1.516 -7.395 190 2HB SER 24 2HB SER 24 15.289 3.178 -7.922 191 HG SER 24 HG SER 24 15.436 2.706 -5.580 192 H LEU 25 H LEU 25 13.055 0.076 -7.861 193 HA LEU 25 HA LEU 25 10.588 -0.549 -6.996 194 1HB LEU 25 1HB LEU 25 13.218 -1.786 -6.855 195 2HB LEU 25 2HB LEU 25 12.142 -2.336 -5.584 196 HG LEU 25 HG LEU 25 11.286 -2.332 -8.458 197 1HD1 LEU 25 1HD1 LEU 25 13.364 -3.914 -7.310 198 2HD1 LEU 25 2HD1 LEU 25 11.979 -4.946 -7.662 199 3HD1 LEU 25 3HD1 LEU 25 12.699 -3.969 -8.942 200 1HD2 LEU 25 1HD2 LEU 25 10.243 -3.289 -5.885 201 2HD2 LEU 25 2HD2 LEU 25 9.390 -2.824 -7.358 202 3HD2 LEU 25 3HD2 LEU 25 10.104 -4.431 -7.222 203 H GLY 26 H GLY 26 13.315 -0.049 -4.732 204 1HA GLY 26 1HA GLY 26 13.321 0.822 -2.599 205 2HA GLY 26 2HA GLY 26 12.135 -0.443 -2.340 206 H ASN 27 H ASN 27 11.759 2.511 -4.260 207 HA ASN 27 HA ASN 27 10.347 3.952 -2.271 208 1HB ASN 27 1HB ASN 27 10.090 4.379 -5.243 209 2HB ASN 27 2HB ASN 27 9.910 5.569 -3.958 210 2HD2 ASN 27 2HD2 ASN 27 11.949 5.680 -2.515 211 1HD2 ASN 27 1HD2 ASN 27 13.445 5.799 -3.371 212 H TRP 28 H TRP 28 9.338 1.746 -4.786 213 HA TRP 28 HA TRP 28 6.544 2.303 -4.556 214 1HB TRP 28 1HB TRP 28 7.953 -0.033 -5.826 215 2HB TRP 28 2HB TRP 28 6.256 0.402 -6.045 216 HD1 TRP 28 HD1 TRP 28 9.731 1.304 -7.177 217 HE1 TRP 28 HE1 TRP 28 9.593 3.093 -9.011 218 HE3 TRP 28 HE3 TRP 28 4.760 2.368 -6.871 219 HZ2 TRP 28 HZ2 TRP 28 7.650 4.758 -10.191 220 HZ3 TRP 28 HZ3 TRP 28 3.798 4.049 -8.376 221 HH2 TRP 28 HH2 TRP 28 5.218 5.227 -10.014 222 H VAL 29 H VAL 29 8.714 -0.177 -3.215 223 HA VAL 29 HA VAL 29 6.651 -1.757 -2.124 224 HB VAL 29 HB VAL 29 9.545 -1.499 -1.300 225 1HG1 VAL 29 1HG1 VAL 29 7.333 -3.161 -0.278 226 2HG1 VAL 29 2HG1 VAL 29 8.864 -3.990 -0.559 227 3HG1 VAL 29 3HG1 VAL 29 8.799 -2.599 0.525 228 1HG2 VAL 29 1HG2 VAL 29 8.373 -2.591 -3.613 229 2HG2 VAL 29 2HG2 VAL 29 10.050 -2.718 -3.084 230 3HG2 VAL 29 3HG2 VAL 29 8.882 -3.953 -2.614 231 H CYS 30 H CYS 30 8.769 0.709 -0.692 232 HA CYS 30 HA CYS 30 7.707 0.592 1.887 233 1HB CYS 30 1HB CYS 30 9.824 1.774 1.103 234 2HB CYS 30 2HB CYS 30 8.778 3.105 0.616 235 H ALA 31 H ALA 31 6.797 2.677 -0.870 236 HA ALA 31 HA ALA 31 4.857 4.177 0.482 237 1HB ALA 31 1HB ALA 31 5.939 4.431 -1.898 238 2HB ALA 31 2HB ALA 31 4.507 3.535 -2.404 239 3HB ALA 31 3HB ALA 31 4.332 5.073 -1.559 240 H ALA 32 H ALA 32 4.558 1.202 -1.434 241 HA ALA 32 HA ALA 32 1.752 0.978 -1.184 242 1HB ALA 32 1HB ALA 32 2.364 -0.374 -2.871 243 2HB ALA 32 2HB ALA 32 2.534 -1.581 -1.595 244 3HB ALA 32 3HB ALA 32 3.950 -0.701 -2.172 245 H LYS 33 H LYS 33 4.424 -0.488 0.650 246 HA LYS 33 HA LYS 33 3.057 -2.211 2.271 247 1HB LYS 33 1HB LYS 33 5.531 -1.899 2.189 248 2HB LYS 33 2HB LYS 33 5.339 -0.447 3.159 249 1HG LYS 33 1HG LYS 33 4.088 -2.086 4.785 250 2HG LYS 33 2HG LYS 33 5.045 -3.302 3.934 251 1HD LYS 33 1HD LYS 33 6.708 -1.067 4.600 252 2HD LYS 33 2HD LYS 33 5.857 -1.618 6.044 253 1HE LYS 33 1HE LYS 33 6.898 -3.810 4.436 254 2HE LYS 33 2HE LYS 33 8.160 -2.712 4.993 255 1HZ LYS 33 1HZ LYS 33 6.140 -4.025 6.730 256 2HZ LYS 33 2HZ LYS 33 7.754 -4.507 6.569 257 3HZ LYS 33 3HZ LYS 33 7.384 -3.005 7.252 258 H PHE 34 H PHE 34 3.807 1.183 3.086 259 HA PHE 34 HA PHE 34 2.139 1.079 5.378 260 1HB PHE 34 1HB PHE 34 3.822 3.078 4.115 261 2HB PHE 34 2HB PHE 34 2.528 3.706 5.114 262 HD1 PHE 34 HD1 PHE 34 2.430 3.045 7.516 263 HD2 PHE 34 HD2 PHE 34 5.764 2.118 5.039 264 HE1 PHE 34 HE1 PHE 34 3.801 2.639 9.518 265 HE2 PHE 34 HE2 PHE 34 7.141 1.709 7.036 266 HZ PHE 34 HZ PHE 34 6.159 1.970 9.280 267 H GLU 35 H GLU 35 1.649 2.089 2.089 268 HA GLU 35 HA GLU 35 -0.612 3.683 2.449 269 1HB GLU 35 1HB GLU 35 0.722 2.285 0.250 270 2HB GLU 35 2HB GLU 35 -1.014 2.442 0.025 271 1HG GLU 35 1HG GLU 35 -0.929 4.762 0.001 272 2HG GLU 35 2HG GLU 35 0.648 4.808 0.789 273 H SER 36 H SER 36 -0.446 0.248 1.534 274 HA SER 36 HA SER 36 -3.134 -0.107 2.699 275 1HB SER 36 1HB SER 36 -3.668 -1.614 0.790 276 2HB SER 36 2HB SER 36 -3.364 0.046 0.282 277 HG SER 36 HG SER 36 -1.168 -1.644 0.348 278 H ASN 37 H ASN 37 -0.025 -1.049 3.015 279 HA ASN 37 HA ASN 37 1.012 -2.844 3.976 280 1HB ASN 37 1HB ASN 37 -1.512 -2.661 5.227 281 2HB ASN 37 2HB ASN 37 -1.272 -4.367 4.868 282 2HD2 ASN 37 2HD2 ASN 37 0.450 -5.465 5.818 283 1HD2 ASN 37 1HD2 ASN 37 1.277 -4.843 7.200 284 H PHE 38 H PHE 38 -0.008 -2.878 1.253 285 HA PHE 38 HA PHE 38 0.027 -4.162 -0.564 286 1HB PHE 38 1HB PHE 38 0.921 -6.372 1.301 287 2HB PHE 38 2HB PHE 38 1.022 -6.388 -0.455 288 HD1 PHE 38 HD1 PHE 38 2.202 -4.178 -1.433 289 HD2 PHE 38 HD2 PHE 38 2.870 -5.869 2.415 290 HE1 PHE 38 HE1 PHE 38 4.396 -3.072 -1.335 291 HE2 PHE 38 HE2 PHE 38 5.068 -4.766 2.519 292 HZ PHE 38 HZ PHE 38 5.835 -3.369 0.642 293 H ASN 39 H ASN 39 -2.341 -3.981 1.277 294 HA ASN 39 HA ASN 39 -3.725 -6.479 0.851 295 1HB ASN 39 1HB ASN 39 -4.176 -5.121 2.862 296 2HB ASN 39 2HB ASN 39 -4.778 -3.822 1.842 297 2HD2 ASN 39 2HD2 ASN 39 -6.663 -4.163 3.283 298 1HD2 ASN 39 1HD2 ASN 39 -7.846 -5.326 2.797 299 H THR 40 H THR 40 -4.485 -6.996 -1.042 300 HA THR 40 HA THR 40 -4.655 -5.272 -3.238 301 HB THR 40 HB THR 40 -5.222 -7.114 -4.467 302 HG1 THR 40 HG1 THR 40 -6.520 -8.789 -2.862 303 1HG2 THR 40 1HG2 THR 40 -3.593 -7.709 -2.296 304 2HG2 THR 40 2HG2 THR 40 -4.728 -9.055 -2.393 305 3HG2 THR 40 3HG2 THR 40 -3.743 -8.630 -3.793 306 H GLN 41 H GLN 41 -6.745 -5.853 -0.651 307 HA GLN 41 HA GLN 41 -9.005 -4.627 -2.063 308 1HB GLN 41 1HB GLN 41 -8.719 -6.807 -0.101 309 2HB GLN 41 2HB GLN 41 -10.088 -5.753 0.125 310 1HG GLN 41 1HG GLN 41 -10.572 -6.185 -2.363 311 2HG GLN 41 2HG GLN 41 -9.447 -7.531 -2.184 312 2HE2 GLN 41 2HE2 GLN 41 -10.187 -9.391 -1.403 313 1HE2 GLN 41 1HE2 GLN 41 -11.747 -9.630 -0.700 314 H ALA 42 H ALA 42 -6.610 -3.728 -0.039 315 HA ALA 42 HA ALA 42 -7.864 -2.545 2.152 316 1HB ALA 42 1HB ALA 42 -5.256 -2.468 0.931 317 2HB ALA 42 2HB ALA 42 -5.716 -2.304 2.625 318 3HB ALA 42 3HB ALA 42 -5.718 -0.891 1.571 319 H THR 43 H THR 43 -9.146 -0.885 2.394 320 HA THR 43 HA THR 43 -9.232 1.209 0.321 321 HB THR 43 HB THR 43 -11.532 1.332 0.414 322 HG1 THR 43 HG1 THR 43 -12.563 1.284 2.265 323 1HG2 THR 43 1HG2 THR 43 -10.956 -0.879 -0.458 324 2HG2 THR 43 2HG2 THR 43 -11.028 -1.549 1.171 325 3HG2 THR 43 3HG2 THR 43 -12.491 -0.926 0.409 326 H ASN 44 H ASN 44 -8.885 3.272 1.081 327 HA ASN 44 HA ASN 44 -9.026 3.663 3.997 328 1HB ASN 44 1HB ASN 44 -6.703 3.659 2.529 329 2HB ASN 44 2HB ASN 44 -7.106 5.374 2.586 330 2HD2 ASN 44 2HD2 ASN 44 -7.487 6.312 4.704 331 1HD2 ASN 44 1HD2 ASN 44 -6.621 5.691 6.064 332 H ARG 45 H ARG 45 -10.775 4.887 4.309 333 HA ARG 45 HA ARG 45 -11.540 6.929 2.406 334 1HB ARG 45 1HB ARG 45 -13.407 7.319 4.090 335 2HB ARG 45 2HB ARG 45 -13.366 5.742 3.316 336 1HG ARG 45 1HG ARG 45 -11.816 5.531 5.656 337 2HG ARG 45 2HG ARG 45 -13.294 6.391 6.093 338 1HD ARG 45 1HD ARG 45 -13.146 3.752 4.640 339 2HD ARG 45 2HD ARG 45 -13.553 3.970 6.342 340 HE ARG 45 HE ARG 45 -15.355 5.519 4.990 341 1HH1 ARG 45 1HH1 ARG 45 -14.441 2.158 4.926 342 2HH1 ARG 45 2HH1 ARG 45 -16.013 1.606 4.453 343 1HH2 ARG 45 1HH2 ARG 45 -17.429 4.802 4.367 344 2HH2 ARG 45 2HH2 ARG 45 -17.711 3.110 4.135 345 H ASN 46 H ASN 46 -10.945 8.980 2.495 346 HA ASN 46 HA ASN 46 -9.656 9.974 4.938 347 1HB ASN 46 1HB ASN 46 -9.609 11.419 2.310 348 2HB ASN 46 2HB ASN 46 -8.434 11.463 3.620 349 2HD2 ASN 46 2HD2 ASN 46 -9.382 9.969 0.709 350 1HD2 ASN 46 1HD2 ASN 46 -8.110 8.803 0.621 351 H THR 47 H THR 47 -9.908 12.484 5.110 352 HA THR 47 HA THR 47 -12.725 12.959 5.526 353 HB THR 47 HB THR 47 -11.963 15.134 6.498 354 HG1 THR 47 HG1 THR 47 -9.589 14.272 5.361 355 1HG2 THR 47 1HG2 THR 47 -12.016 12.765 7.664 356 2HG2 THR 47 2HG2 THR 47 -10.274 13.025 7.753 357 3HG2 THR 47 3HG2 THR 47 -11.377 14.180 8.502 358 H ASP 48 H ASP 48 -10.420 13.661 3.099 359 HA ASP 48 HA ASP 48 -11.609 16.058 2.100 360 1HB ASP 48 1HB ASP 48 -10.218 15.531 0.052 361 2HB ASP 48 2HB ASP 48 -9.324 15.698 1.558 362 H GLY 49 H GLY 49 -12.665 12.912 2.122 363 1HA GLY 49 1HA GLY 49 -14.524 13.479 -0.086 364 2HA GLY 49 2HA GLY 49 -14.820 12.362 1.237 365 H SER 50 H SER 50 -11.807 12.447 -0.550 366 HA SER 50 HA SER 50 -12.531 10.337 -2.346 367 1HB SER 50 1HB SER 50 -9.863 10.313 -2.532 368 2HB SER 50 2HB SER 50 -10.848 11.549 -3.313 369 HG SER 50 HG SER 50 -8.966 11.873 -1.473 370 H THR 51 H THR 51 -10.934 8.391 -2.451 371 HA THR 51 HA THR 51 -10.384 7.320 0.221 372 HB THR 51 HB THR 51 -11.733 5.496 -1.716 373 HG1 THR 51 HG1 THR 51 -13.750 6.198 -0.566 374 1HG2 THR 51 1HG2 THR 51 -11.275 5.677 1.215 375 2HG2 THR 51 2HG2 THR 51 -12.733 4.858 0.657 376 3HG2 THR 51 3HG2 THR 51 -11.147 4.289 0.135 377 H ASP 52 H ASP 52 -9.305 5.078 -0.010 378 HA ASP 52 HA ASP 52 -7.484 5.090 -2.327 379 1HB ASP 52 1HB ASP 52 -6.776 4.339 0.517 380 2HB ASP 52 2HB ASP 52 -5.681 4.359 -0.862 381 H TYR 53 H TYR 53 -8.797 3.586 -3.384 382 HA TYR 53 HA TYR 53 -9.071 0.969 -2.109 383 1HB TYR 53 1HB TYR 53 -10.196 1.933 -4.745 384 2HB TYR 53 2HB TYR 53 -10.561 0.408 -3.954 385 HD1 TYR 53 HD1 TYR 53 -11.649 0.568 -1.600 386 HD2 TYR 53 HD2 TYR 53 -11.567 3.769 -4.398 387 HE1 TYR 53 HE1 TYR 53 -13.564 1.606 -0.459 388 HE2 TYR 53 HE2 TYR 53 -13.483 4.815 -3.268 389 HH TYR 53 HH TYR 53 -15.496 3.317 -1.294 390 H GLY 54 H GLY 54 -6.730 0.460 -2.294 391 1HA GLY 54 1HA GLY 54 -5.567 0.331 -4.901 392 2HA GLY 54 2HA GLY 54 -6.136 -1.242 -4.368 393 H ILE 55 H ILE 55 -3.772 -1.732 -4.614 394 HA ILE 55 HA ILE 55 -2.537 -1.737 -2.041 395 HB ILE 55 HB ILE 55 -2.187 -3.547 -3.759 396 1HG1 ILE 55 1HG1 ILE 55 0.437 -2.284 -2.970 397 2HG1 ILE 55 2HG1 ILE 55 -0.636 -3.025 -1.787 398 1HG2 ILE 55 1HG2 ILE 55 -0.687 -1.332 -5.119 399 2HG2 ILE 55 2HG2 ILE 55 -0.327 -3.032 -5.425 400 3HG2 ILE 55 3HG2 ILE 55 -1.933 -2.393 -5.778 401 1HD1 ILE 55 1HD1 ILE 55 0.263 -4.549 -4.195 402 2HD1 ILE 55 2HD1 ILE 55 1.288 -4.415 -2.765 403 3HD1 ILE 55 3HD1 ILE 55 -0.310 -5.152 -2.639 404 H LEU 56 H LEU 56 -2.393 0.209 -4.904 405 HA LEU 56 HA LEU 56 -0.262 1.860 -3.739 406 1HB LEU 56 1HB LEU 56 -0.798 1.042 -6.435 407 2HB LEU 56 2HB LEU 56 -0.982 2.782 -6.344 408 HG LEU 56 HG LEU 56 1.263 2.625 -6.908 409 1HD1 LEU 56 1HD1 LEU 56 0.999 3.834 -4.743 410 2HD1 LEU 56 2HD1 LEU 56 1.456 2.347 -3.910 411 3HD1 LEU 56 3HD1 LEU 56 2.599 3.136 -4.997 412 1HD2 LEU 56 1HD2 LEU 56 1.443 0.175 -5.148 413 2HD2 LEU 56 2HD2 LEU 56 1.342 0.190 -6.908 414 3HD2 LEU 56 3HD2 LEU 56 2.759 0.861 -6.100 415 H GLN 57 H GLN 57 -3.410 1.573 -3.463 416 HA GLN 57 HA GLN 57 -5.050 2.921 -2.717 417 1HB GLN 57 1HB GLN 57 -2.959 5.087 -2.920 418 2HB GLN 57 2HB GLN 57 -4.544 5.292 -2.187 419 1HG GLN 57 1HG GLN 57 -3.806 3.257 -0.727 420 2HG GLN 57 2HG GLN 57 -2.186 3.756 -1.212 421 2HE2 GLN 57 2HE2 GLN 57 -4.009 3.882 1.310 422 1HE2 GLN 57 1HE2 GLN 57 -3.711 5.476 1.907 423 H ILE 58 H ILE 58 -6.065 2.394 -4.849 424 HA ILE 58 HA ILE 58 -5.879 4.464 -6.854 425 HB ILE 58 HB ILE 58 -7.477 1.910 -6.705 426 1HG1 ILE 58 1HG1 ILE 58 -6.034 1.506 -8.816 427 2HG1 ILE 58 2HG1 ILE 58 -5.064 2.853 -8.233 428 1HG2 ILE 58 1HG2 ILE 58 -7.484 3.994 -8.884 429 2HG2 ILE 58 2HG2 ILE 58 -8.173 2.377 -9.031 430 3HG2 ILE 58 3HG2 ILE 58 -8.848 3.521 -7.870 431 1HD1 ILE 58 1HD1 ILE 58 -4.997 1.486 -6.024 432 2HD1 ILE 58 2HD1 ILE 58 -5.424 0.136 -7.075 433 3HD1 ILE 58 3HD1 ILE 58 -3.945 1.050 -7.370 434 H ASN 59 H ASN 59 -6.741 6.311 -6.055 435 HA ASN 59 HA ASN 59 -9.068 6.492 -4.500 436 1HB ASN 59 1HB ASN 59 -7.446 8.325 -4.659 437 2HB ASN 59 2HB ASN 59 -7.823 8.528 -6.368 438 2HD2 ASN 59 2HD2 ASN 59 -8.221 10.750 -5.634 439 1HD2 ASN 59 1HD2 ASN 59 -9.792 11.148 -5.035 440 H SER 60 H SER 60 -10.914 5.512 -5.246 441 HA SER 60 HA SER 60 -11.609 5.358 -7.973 442 1HB SER 60 1HB SER 60 -13.515 4.235 -7.250 443 2HB SER 60 2HB SER 60 -12.393 3.946 -5.920 444 HG SER 60 HG SER 60 -14.397 4.624 -5.124 445 H ARG 61 H ARG 61 -12.075 7.857 -5.599 446 HA ARG 61 HA ARG 61 -14.270 9.083 -7.029 447 1HB ARG 61 1HB ARG 61 -13.692 9.138 -4.453 448 2HB ARG 61 2HB ARG 61 -12.708 10.517 -4.924 449 1HG ARG 61 1HG ARG 61 -14.851 11.376 -6.066 450 2HG ARG 61 2HG ARG 61 -15.678 10.189 -5.057 451 1HD ARG 61 1HD ARG 61 -15.135 11.276 -3.099 452 2HD ARG 61 2HD ARG 61 -13.724 12.062 -3.805 453 HE ARG 61 HE ARG 61 -16.442 13.015 -3.833 454 1HH1 ARG 61 1HH1 ARG 61 -13.312 13.193 -5.353 455 2HH1 ARG 61 2HH1 ARG 61 -13.585 14.765 -6.026 456 1HH2 ARG 61 1HH2 ARG 61 -16.811 15.084 -4.716 457 2HH2 ARG 61 2HH2 ARG 61 -15.574 15.840 -5.664 458 H TRP 62 H TRP 62 -11.485 8.691 -8.189 459 HA TRP 62 HA TRP 62 -11.403 11.216 -9.551 460 1HB TRP 62 1HB TRP 62 -9.975 11.220 -7.262 461 2HB TRP 62 2HB TRP 62 -8.757 10.618 -8.381 462 HD1 TRP 62 HD1 TRP 62 -7.991 12.282 -10.368 463 HE1 TRP 62 HE1 TRP 62 -8.080 14.848 -10.554 464 HE3 TRP 62 HE3 TRP 62 -11.333 13.253 -6.623 465 HZ2 TRP 62 HZ2 TRP 62 -9.394 16.998 -9.283 466 HZ3 TRP 62 HZ3 TRP 62 -11.953 15.591 -6.172 467 HH2 TRP 62 HH2 TRP 62 -11.002 17.424 -7.475 468 H TRP 63 H TRP 63 -10.912 7.919 -9.557 469 HA TRP 63 HA TRP 63 -9.407 8.129 -12.063 470 1HB TRP 63 1HB TRP 63 -8.866 6.183 -9.816 471 2HB TRP 63 2HB TRP 63 -8.200 6.019 -11.439 472 HD1 TRP 63 HD1 TRP 63 -6.984 7.064 -8.272 473 HE1 TRP 63 HE1 TRP 63 -5.161 8.878 -8.464 474 HE3 TRP 63 HE3 TRP 63 -7.832 8.532 -13.063 475 HZ2 TRP 63 HZ2 TRP 63 -4.220 10.709 -10.420 476 HZ3 TRP 63 HZ3 TRP 63 -6.478 10.313 -14.033 477 HH2 TRP 63 HH2 TRP 63 -4.687 11.385 -12.741 478 H CYS 64 H CYS 64 -10.994 5.650 -10.072 479 HA CYS 64 HA CYS 64 -12.077 4.501 -12.532 480 1HB CYS 64 1HB CYS 64 -12.280 2.462 -11.436 481 2HB CYS 64 2HB CYS 64 -10.847 3.152 -10.685 482 H ASN 65 H ASN 65 -14.216 3.662 -12.604 483 HA ASN 65 HA ASN 65 -16.126 5.494 -11.315 484 1HB ASN 65 1HB ASN 65 -16.238 5.562 -13.725 485 2HB ASN 65 2HB ASN 65 -16.355 3.807 -13.816 486 2HD2 ASN 65 2HD2 ASN 65 -18.307 3.252 -14.433 487 1HD2 ASN 65 1HD2 ASN 65 -19.790 3.946 -13.880 488 H ASP 66 H ASP 66 -17.104 4.696 -9.576 489 HA ASP 66 HA ASP 66 -17.533 1.799 -9.391 490 1HB ASP 66 1HB ASP 66 -17.700 2.082 -7.015 491 2HB ASP 66 2HB ASP 66 -16.279 2.968 -7.562 492 H GLY 67 H GLY 67 -19.189 4.710 -9.970 493 1HA GLY 67 1HA GLY 67 -21.693 3.340 -10.184 494 2HA GLY 67 2HA GLY 67 -21.411 5.049 -10.475 495 H ARG 68 H ARG 68 -20.233 4.160 -7.455 496 HA ARG 68 HA ARG 68 -22.773 4.817 -6.132 497 1HB ARG 68 1HB ARG 68 -20.737 2.891 -5.585 498 2HB ARG 68 2HB ARG 68 -20.801 4.026 -4.243 499 1HG ARG 68 1HG ARG 68 -23.456 3.474 -4.747 500 2HG ARG 68 2HG ARG 68 -22.650 1.923 -4.992 501 1HD ARG 68 1HD ARG 68 -21.480 2.374 -2.771 502 2HD ARG 68 2HD ARG 68 -22.669 3.656 -2.537 503 HE ARG 68 HE ARG 68 -24.240 1.562 -3.064 504 1HH1 ARG 68 1HH1 ARG 68 -21.513 1.899 -0.921 505 2HH1 ARG 68 2HH1 ARG 68 -22.096 0.726 0.212 506 1HH2 ARG 68 1HH2 ARG 68 -25.014 0.016 -1.578 507 2HH2 ARG 68 2HH2 ARG 68 -24.084 -0.345 -0.161 508 H THR 69 H THR 69 -20.009 6.291 -7.134 509 HA THR 69 HA THR 69 -20.280 8.374 -5.080 510 HB THR 69 HB THR 69 -17.581 7.705 -6.219 511 HG1 THR 69 HG1 THR 69 -19.021 6.342 -4.271 512 1HG2 THR 69 1HG2 THR 69 -18.687 9.461 -4.118 513 2HG2 THR 69 2HG2 THR 69 -17.181 8.635 -3.719 514 3HG2 THR 69 3HG2 THR 69 -17.267 9.674 -5.142 515 HA PRO 70 HA PRO 70 -20.901 10.330 -9.190 516 1HB PRO 70 1HB PRO 70 -21.919 12.459 -7.395 517 2HB PRO 70 2HB PRO 70 -22.669 11.736 -8.822 518 1HG PRO 70 1HG PRO 70 -23.549 11.161 -6.369 519 2HG PRO 70 2HG PRO 70 -23.485 9.920 -7.637 520 1HD PRO 70 1HD PRO 70 -21.635 10.371 -5.329 521 2HD PRO 70 2HD PRO 70 -22.230 8.846 -6.016 522 H GLY 71 H GLY 71 -20.132 12.400 -10.058 523 1HA GLY 71 1HA GLY 71 -18.382 14.051 -8.502 524 2HA GLY 71 2HA GLY 71 -18.633 14.145 -10.239 525 H SER 72 H SER 72 -17.932 11.010 -9.674 526 HA SER 72 HA SER 72 -15.162 10.995 -9.183 527 1HB SER 72 1HB SER 72 -17.167 9.054 -10.192 528 2HB SER 72 2HB SER 72 -15.482 8.721 -10.595 529 HG SER 72 HG SER 72 -14.989 8.714 -8.414 530 H ARG 73 H ARG 73 -13.495 11.505 -10.420 531 HA ARG 73 HA ARG 73 -13.708 12.718 -12.913 532 1HB ARG 73 1HB ARG 73 -11.675 12.280 -11.105 533 2HB ARG 73 2HB ARG 73 -11.159 11.338 -12.496 534 1HG ARG 73 1HG ARG 73 -10.193 13.390 -12.895 535 2HG ARG 73 2HG ARG 73 -11.680 13.485 -13.841 536 1HD ARG 73 1HD ARG 73 -12.243 14.367 -11.198 537 2HD ARG 73 2HD ARG 73 -10.790 15.196 -11.756 538 HE ARG 73 HE ARG 73 -13.474 15.544 -12.735 539 1HH1 ARG 73 1HH1 ARG 73 -10.085 15.882 -13.469 540 2HH1 ARG 73 2HH1 ARG 73 -10.334 17.106 -14.668 541 1HH2 ARG 73 1HH2 ARG 73 -13.812 17.155 -14.312 542 2HH2 ARG 73 2HH2 ARG 73 -12.452 17.830 -15.147 543 H ASN 74 H ASN 74 -13.143 9.362 -12.069 544 HA ASN 74 HA ASN 74 -13.046 7.425 -13.284 545 1HB ASN 74 1HB ASN 74 -15.427 8.208 -13.653 546 2HB ASN 74 2HB ASN 74 -14.894 8.897 -15.183 547 2HD2 ASN 74 2HD2 ASN 74 -16.474 7.474 -16.125 548 1HD2 ASN 74 1HD2 ASN 74 -16.066 5.823 -16.428 549 H LEU 75 H LEU 75 -11.137 9.555 -13.854 550 HA LEU 75 HA LEU 75 -10.525 9.920 -16.520 551 1HB LEU 75 1HB LEU 75 -9.084 9.807 -13.935 552 2HB LEU 75 2HB LEU 75 -8.098 9.735 -15.380 553 HG LEU 75 HG LEU 75 -10.045 11.914 -14.572 554 1HD1 LEU 75 1HD1 LEU 75 -7.037 11.880 -14.815 555 2HD1 LEU 75 2HD1 LEU 75 -8.002 13.338 -14.582 556 3HD1 LEU 75 3HD1 LEU 75 -7.993 12.080 -13.346 557 1HD2 LEU 75 1HD2 LEU 75 -9.070 11.192 -17.185 558 2HD2 LEU 75 2HD2 LEU 75 -10.231 12.437 -16.724 559 3HD2 LEU 75 3HD2 LEU 75 -8.506 12.802 -16.737 560 H CYS 76 H CYS 76 -8.674 7.848 -14.468 561 HA CYS 76 HA CYS 76 -7.374 6.227 -16.104 562 1HB CYS 76 1HB CYS 76 -7.933 6.363 -13.468 563 2HB CYS 76 2HB CYS 76 -8.691 4.838 -13.892 564 H ASN 77 H ASN 77 -10.831 6.158 -15.603 565 HA ASN 77 HA ASN 77 -12.498 4.791 -16.357 566 1HB ASN 77 1HB ASN 77 -11.434 5.844 -18.474 567 2HB ASN 77 2HB ASN 77 -10.741 4.248 -18.743 568 2HD2 ASN 77 2HD2 ASN 77 -13.878 5.644 -17.834 569 1HD2 ASN 77 1HD2 ASN 77 -14.813 4.670 -18.914 570 H ILE 78 H ILE 78 -11.419 3.421 -14.522 571 HA ILE 78 HA ILE 78 -10.788 0.799 -15.672 572 HB ILE 78 HB ILE 78 -9.085 0.414 -14.227 573 1HG1 ILE 78 1HG1 ILE 78 -10.745 1.987 -12.330 574 2HG1 ILE 78 2HG1 ILE 78 -9.900 0.466 -12.085 575 1HG2 ILE 78 1HG2 ILE 78 -8.570 2.403 -15.570 576 2HG2 ILE 78 2HG2 ILE 78 -9.139 3.423 -14.249 577 3HG2 ILE 78 3HG2 ILE 78 -7.720 2.400 -14.023 578 1HD1 ILE 78 1HD1 ILE 78 -7.766 1.792 -12.016 579 2HD1 ILE 78 2HD1 ILE 78 -8.766 3.245 -11.985 580 3HD1 ILE 78 3HD1 ILE 78 -8.882 2.065 -10.679 581 HA PRO 79 HA PRO 79 -14.109 -0.782 -13.168 582 1HB PRO 79 1HB PRO 79 -13.446 -3.400 -13.100 583 2HB PRO 79 2HB PRO 79 -14.056 -2.630 -14.568 584 1HG PRO 79 1HG PRO 79 -11.255 -3.336 -13.819 585 2HG PRO 79 2HG PRO 79 -12.058 -3.447 -15.395 586 1HD PRO 79 1HD PRO 79 -10.352 -1.414 -14.657 587 2HD PRO 79 2HD PRO 79 -11.601 -1.269 -15.908 588 H CYS 80 H CYS 80 -13.999 -0.115 -11.091 589 HA CYS 80 HA CYS 80 -11.815 -0.252 -9.408 590 1HB CYS 80 1HB CYS 80 -14.631 -0.310 -8.368 591 2HB CYS 80 2HB CYS 80 -13.227 0.521 -7.705 592 H SER 81 H SER 81 -14.652 -2.435 -9.336 593 HA SER 81 HA SER 81 -13.593 -4.080 -7.294 594 1HB SER 81 1HB SER 81 -15.375 -5.702 -8.042 595 2HB SER 81 2HB SER 81 -15.960 -4.084 -7.657 596 HG SER 81 HG SER 81 -15.483 -5.178 -10.230 597 H ALA 82 H ALA 82 -12.927 -3.970 -10.675 598 HA ALA 82 HA ALA 82 -11.930 -6.709 -10.725 599 1HB ALA 82 1HB ALA 82 -13.102 -5.215 -12.647 600 2HB ALA 82 2HB ALA 82 -12.066 -6.605 -12.967 601 3HB ALA 82 3HB ALA 82 -11.399 -4.974 -13.039 602 H LEU 83 H LEU 83 -10.768 -3.477 -10.405 603 HA LEU 83 HA LEU 83 -8.008 -4.191 -10.937 604 1HB LEU 83 1HB LEU 83 -9.252 -1.629 -9.951 605 2HB LEU 83 2HB LEU 83 -7.541 -1.834 -10.265 606 HG LEU 83 HG LEU 83 -9.632 -1.119 -12.076 607 1HD1 LEU 83 1HD1 LEU 83 -7.293 -0.190 -11.767 608 2HD1 LEU 83 2HD1 LEU 83 -6.729 -1.570 -12.709 609 3HD1 LEU 83 3HD1 LEU 83 -7.840 -0.405 -13.430 610 1HD2 LEU 83 1HD2 LEU 83 -8.282 -3.733 -12.652 611 2HD2 LEU 83 2HD2 LEU 83 -9.980 -3.294 -12.827 612 3HD2 LEU 83 3HD2 LEU 83 -8.785 -2.659 -13.957 613 H LEU 84 H LEU 84 -10.009 -4.720 -8.429 614 HA LEU 84 HA LEU 84 -7.955 -4.310 -6.373 615 1HB LEU 84 1HB LEU 84 -10.906 -4.884 -6.126 616 2HB LEU 84 2HB LEU 84 -9.812 -4.676 -4.772 617 HG LEU 84 HG LEU 84 -10.354 -2.580 -6.858 618 1HD1 LEU 84 1HD1 LEU 84 -12.345 -3.075 -5.499 619 2HD1 LEU 84 2HD1 LEU 84 -11.406 -2.760 -4.040 620 3HD1 LEU 84 3HD1 LEU 84 -11.705 -1.460 -5.194 621 1HD2 LEU 84 1HD2 LEU 84 -8.134 -2.588 -5.612 622 2HD2 LEU 84 2HD2 LEU 84 -9.084 -1.104 -5.549 623 3HD2 LEU 84 3HD2 LEU 84 -9.071 -2.203 -4.170 624 H SER 85 H SER 85 -8.605 -6.544 -8.483 625 HA SER 85 HA SER 85 -9.071 -8.949 -7.135 626 1HB SER 85 1HB SER 85 -8.421 -8.156 -9.765 627 2HB SER 85 2HB SER 85 -7.216 -9.355 -9.294 628 HG SER 85 HG SER 85 -8.921 -10.763 -8.763 629 H SER 86 H SER 86 -7.151 -10.703 -7.477 630 HA SER 86 HA SER 86 -5.293 -10.081 -5.378 631 1HB SER 86 1HB SER 86 -6.343 -12.352 -5.739 632 2HB SER 86 2HB SER 86 -5.305 -12.532 -7.154 633 HG SER 86 HG SER 86 -4.135 -11.832 -4.710 634 H ASP 87 H ASP 87 -5.367 -9.362 -8.558 635 HA ASP 87 HA ASP 87 -2.477 -9.592 -8.982 636 1HB ASP 87 1HB ASP 87 -3.964 -10.499 -10.715 637 2HB ASP 87 2HB ASP 87 -4.706 -8.915 -10.905 638 H ILE 88 H ILE 88 -1.169 -7.842 -9.003 639 HA ILE 88 HA ILE 88 -2.324 -5.271 -8.320 640 HB ILE 88 HB ILE 88 0.256 -4.648 -8.514 641 1HG1 ILE 88 1HG1 ILE 88 0.604 -7.421 -7.506 642 2HG1 ILE 88 2HG1 ILE 88 0.499 -7.208 -9.252 643 1HG2 ILE 88 1HG2 ILE 88 -1.538 -5.238 -6.469 644 2HG2 ILE 88 2HG2 ILE 88 -0.062 -6.112 -6.064 645 3HG2 ILE 88 3HG2 ILE 88 -0.008 -4.370 -6.338 646 1HD1 ILE 88 1HD1 ILE 88 2.285 -5.270 -8.126 647 2HD1 ILE 88 2HD1 ILE 88 2.744 -6.898 -7.627 648 3HD1 ILE 88 3HD1 ILE 88 2.594 -6.511 -9.340 649 H THR 89 H THR 89 -1.660 -6.825 -11.195 650 HA THR 89 HA THR 89 -0.390 -4.973 -12.792 651 HB THR 89 HB THR 89 -2.755 -6.672 -13.615 652 HG1 THR 89 HG1 THR 89 -0.090 -7.412 -14.088 653 1HG2 THR 89 1HG2 THR 89 -2.057 -4.860 -15.202 654 2HG2 THR 89 2HG2 THR 89 -0.476 -5.635 -15.300 655 3HG2 THR 89 3HG2 THR 89 -1.916 -6.493 -15.850 656 H ALA 90 H ALA 90 -3.837 -5.144 -11.965 657 HA ALA 90 HA ALA 90 -4.610 -2.947 -13.488 658 1HB ALA 90 1HB ALA 90 -5.830 -4.886 -11.826 659 2HB ALA 90 2HB ALA 90 -6.410 -3.291 -11.350 660 3HB ALA 90 3HB ALA 90 -6.578 -3.826 -13.022 661 H SER 91 H SER 91 -4.118 -3.266 -9.965 662 HA SER 91 HA SER 91 -4.626 -0.587 -9.315 663 1HB SER 91 1HB SER 91 -2.637 -2.249 -7.795 664 2HB SER 91 2HB SER 91 -3.807 -1.085 -7.175 665 HG SER 91 HG SER 91 -4.112 -3.756 -7.761 666 H VAL 92 H VAL 92 -1.830 -2.145 -10.592 667 HA VAL 92 HA VAL 92 -0.149 0.153 -10.059 668 HB VAL 92 HB VAL 92 0.470 -2.401 -11.549 669 1HG1 VAL 92 1HG1 VAL 92 2.042 0.116 -11.204 670 2HG1 VAL 92 2HG1 VAL 92 2.892 -1.429 -11.204 671 3HG1 VAL 92 3HG1 VAL 92 1.925 -0.954 -12.600 672 1HG2 VAL 92 1HG2 VAL 92 0.217 -2.170 -8.922 673 2HG2 VAL 92 2HG2 VAL 92 1.477 -3.168 -9.647 674 3HG2 VAL 92 3HG2 VAL 92 1.862 -1.550 -9.063 675 H ASN 93 H ASN 93 -1.983 -1.146 -12.754 676 HA ASN 93 HA ASN 93 -0.762 0.292 -14.751 677 1HB ASN 93 1HB ASN 93 -2.163 -0.997 -15.879 678 2HB ASN 93 2HB ASN 93 -3.082 -1.297 -14.428 679 2HD2 ASN 93 2HD2 ASN 93 -2.708 0.844 -17.162 680 1HD2 ASN 93 1HD2 ASN 93 -4.310 1.488 -17.125 681 H CYS 94 H CYS 94 -3.535 1.005 -12.729 682 HA CYS 94 HA CYS 94 -4.028 3.587 -13.754 683 1HB CYS 94 1HB CYS 94 -5.522 2.070 -12.245 684 2HB CYS 94 2HB CYS 94 -4.671 2.856 -10.919 685 H ALA 95 H ALA 95 -2.163 2.444 -10.918 686 HA ALA 95 HA ALA 95 -1.410 5.068 -10.109 687 1HB ALA 95 1HB ALA 95 -0.706 3.969 -8.353 688 2HB ALA 95 2HB ALA 95 0.612 3.294 -9.311 689 3HB ALA 95 3HB ALA 95 -0.923 2.432 -9.192 690 H LYS 96 H LYS 96 -0.088 2.755 -12.380 691 HA LYS 96 HA LYS 96 2.440 3.803 -12.808 692 1HB LYS 96 1HB LYS 96 0.474 2.317 -14.472 693 2HB LYS 96 2HB LYS 96 1.737 3.173 -15.346 694 1HG LYS 96 1HG LYS 96 3.443 1.965 -14.115 695 2HG LYS 96 2HG LYS 96 2.199 1.143 -13.170 696 1HD LYS 96 1HD LYS 96 1.609 -0.233 -14.889 697 2HD LYS 96 2HD LYS 96 2.014 0.959 -16.125 698 1HE LYS 96 1HE LYS 96 4.463 0.533 -15.264 699 2HE LYS 96 2HE LYS 96 3.770 -0.992 -14.713 700 1HZ LYS 96 1HZ LYS 96 2.848 -0.991 -17.167 701 2HZ LYS 96 2HZ LYS 96 4.214 -0.026 -17.435 702 3HZ LYS 96 3HZ LYS 96 4.389 -1.584 -16.799 703 H LYS 97 H LYS 97 -0.713 4.722 -13.859 704 HA LYS 97 HA LYS 97 0.120 6.990 -15.450 705 1HB LYS 97 1HB LYS 97 -2.443 5.683 -14.760 706 2HB LYS 97 2HB LYS 97 -2.528 7.418 -15.031 707 1HG LYS 97 1HG LYS 97 -1.335 7.005 -17.219 708 2HG LYS 97 2HG LYS 97 -1.627 5.287 -16.945 709 1HD LYS 97 1HD LYS 97 -4.050 6.759 -16.523 710 2HD LYS 97 2HD LYS 97 -3.369 7.176 -18.097 711 1HE LYS 97 1HE LYS 97 -3.398 4.930 -18.815 712 2HE LYS 97 2HE LYS 97 -3.672 4.329 -17.180 713 1HZ LYS 97 1HZ LYS 97 -5.626 6.009 -18.648 714 2HZ LYS 97 2HZ LYS 97 -5.663 4.318 -18.658 715 3HZ LYS 97 3HZ LYS 97 -5.877 5.162 -17.206 716 H ILE 98 H ILE 98 -1.042 6.352 -12.200 717 HA ILE 98 HA ILE 98 -1.578 8.962 -11.392 718 HB ILE 98 HB ILE 98 -0.634 6.620 -9.769 719 1HG1 ILE 98 1HG1 ILE 98 -3.363 7.917 -10.008 720 2HG1 ILE 98 2HG1 ILE 98 -2.875 6.467 -10.879 721 1HG2 ILE 98 1HG2 ILE 98 -1.610 9.320 -8.844 722 2HG2 ILE 98 2HG2 ILE 98 -1.397 7.914 -7.801 723 3HG2 ILE 98 3HG2 ILE 98 -0.002 8.637 -8.602 724 1HD1 ILE 98 1HD1 ILE 98 -2.312 5.715 -8.358 725 2HD1 ILE 98 2HD1 ILE 98 -3.660 6.816 -8.071 726 3HD1 ILE 98 3HD1 ILE 98 -3.863 5.435 -9.149 727 H VAL 99 H VAL 99 1.347 7.050 -11.096 728 HA VAL 99 HA VAL 99 2.953 9.139 -10.031 729 HB VAL 99 HB VAL 99 3.414 6.718 -9.686 730 1HG1 VAL 99 1HG1 VAL 99 2.953 6.210 -12.167 731 2HG1 VAL 99 2HG1 VAL 99 4.635 6.677 -12.422 732 3HG1 VAL 99 3HG1 VAL 99 4.246 5.326 -11.356 733 1HG2 VAL 99 1HG2 VAL 99 5.320 8.788 -10.385 734 2HG2 VAL 99 2HG2 VAL 99 5.349 7.629 -9.057 735 3HG2 VAL 99 3HG2 VAL 99 5.972 7.169 -10.641 736 H SER 100 H SER 100 2.040 8.199 -13.242 737 HA SER 100 HA SER 100 4.261 9.580 -14.495 738 1HB SER 100 1HB SER 100 1.994 7.897 -15.415 739 2HB SER 100 2HB SER 100 2.594 9.103 -16.553 740 HG SER 100 HG SER 100 4.280 7.903 -16.869 741 H ASP 101 H ASP 101 1.346 10.461 -13.125 742 HA ASP 101 HA ASP 101 1.348 12.989 -14.637 743 1HB ASP 101 1HB ASP 101 -0.910 11.144 -14.074 744 2HB ASP 101 2HB ASP 101 -1.240 12.870 -13.955 745 H GLY 102 H GLY 102 1.615 11.501 -11.641 746 1HA GLY 102 1HA GLY 102 0.918 12.299 -9.489 747 2HA GLY 102 2HA GLY 102 0.649 13.879 -10.205 748 H ASN 103 H ASN 103 2.412 12.613 -7.961 749 HA ASN 103 HA ASN 103 4.931 13.897 -8.779 750 1HB ASN 103 1HB ASN 103 3.142 14.887 -6.877 751 2HB ASN 103 2HB ASN 103 4.426 14.138 -5.932 752 2HD2 ASN 103 2HD2 ASN 103 3.506 16.785 -7.861 753 1HD2 ASN 103 1HD2 ASN 103 5.011 17.632 -7.829 754 H GLY 104 H GLY 104 5.125 11.416 -9.192 755 1HA GLY 104 1HA GLY 104 7.121 10.383 -7.647 756 2HA GLY 104 2HA GLY 104 6.057 9.396 -8.629 757 H MET 105 H MET 105 7.359 9.284 -5.830 758 HA MET 105 HA MET 105 5.194 7.837 -4.577 759 1HB MET 105 1HB MET 105 7.791 8.282 -3.193 760 2HB MET 105 2HB MET 105 6.812 6.826 -3.297 761 1HG MET 105 1HG MET 105 8.555 7.952 -5.474 762 2HG MET 105 2HG MET 105 8.917 6.555 -4.464 763 1HE MET 105 1HE MET 105 6.760 5.019 -4.036 764 2HE MET 105 2HE MET 105 5.312 5.615 -4.847 765 3HE MET 105 3HE MET 105 6.083 4.127 -5.399 766 H ASN 106 H ASN 106 5.680 10.959 -4.782 767 HA ASN 106 HA ASN 106 5.551 11.622 -1.958 768 1HB ASN 106 1HB ASN 106 5.293 13.681 -4.100 769 2HB ASN 106 2HB ASN 106 6.136 13.754 -2.560 770 2HD2 ASN 106 2HD2 ASN 106 7.740 11.560 -2.671 771 1HD2 ASN 106 1HD2 ASN 106 8.895 11.744 -3.943 772 H ALA 107 H ALA 107 3.497 11.347 -4.759 773 HA ALA 107 HA ALA 107 1.350 12.951 -4.018 774 1HB ALA 107 1HB ALA 107 1.637 10.501 -5.689 775 2HB ALA 107 2HB ALA 107 0.018 11.067 -5.280 776 3HB ALA 107 3HB ALA 107 1.130 12.126 -6.148 777 H TRP 108 H TRP 108 2.058 9.589 -3.186 778 HA TRP 108 HA TRP 108 -0.276 9.340 -1.529 779 1HB TRP 108 1HB TRP 108 2.116 7.518 -1.868 780 2HB TRP 108 2HB TRP 108 0.647 7.108 -0.985 781 HD1 TRP 108 HD1 TRP 108 -1.628 6.836 -2.477 782 HE1 TRP 108 HE1 TRP 108 -1.937 6.133 -4.935 783 HE3 TRP 108 HE3 TRP 108 3.136 7.617 -4.152 784 HZ2 TRP 108 HZ2 TRP 108 -0.368 5.928 -7.285 785 HZ3 TRP 108 HZ3 TRP 108 3.651 7.151 -6.509 786 HH2 TRP 108 HH2 TRP 108 1.938 6.322 -8.039 787 H VAL 109 H VAL 109 -0.441 9.588 0.597 788 HA VAL 109 HA VAL 109 1.567 11.051 1.991 789 HB VAL 109 HB VAL 109 -0.665 9.925 3.460 790 1HG1 VAL 109 1HG1 VAL 109 1.161 11.993 3.799 791 2HG1 VAL 109 2HG1 VAL 109 -0.393 12.782 3.521 792 3HG1 VAL 109 3HG1 VAL 109 -0.219 11.615 4.832 793 1HG2 VAL 109 1HG2 VAL 109 -1.000 11.468 0.988 794 2HG2 VAL 109 2HG2 VAL 109 -2.124 10.380 1.803 795 3HG2 VAL 109 3HG2 VAL 109 -1.936 12.039 2.369 796 H ALA 110 H ALA 110 0.855 7.686 1.826 797 HA ALA 110 HA ALA 110 1.843 7.030 4.426 798 1HB ALA 110 1HB ALA 110 1.839 5.082 2.156 799 2HB ALA 110 2HB ALA 110 1.500 4.809 3.865 800 3HB ALA 110 3HB ALA 110 0.316 5.634 2.852 801 H TRP 111 H TRP 111 3.247 7.524 1.302 802 HA TRP 111 HA TRP 111 5.795 6.394 2.091 803 1HB TRP 111 1HB TRP 111 5.031 6.261 -0.271 804 2HB TRP 111 2HB TRP 111 5.136 8.010 -0.382 805 HD1 TRP 111 HD1 TRP 111 7.243 4.883 -0.516 806 HE1 TRP 111 HE1 TRP 111 9.670 5.508 -1.102 807 HE3 TRP 111 HE3 TRP 111 6.915 9.966 -0.045 808 HZ2 TRP 111 HZ2 TRP 111 11.238 7.841 -1.333 809 HZ3 TRP 111 HZ3 TRP 111 8.926 11.321 -0.466 810 HH2 TRP 111 HH2 TRP 111 11.042 10.279 -1.096 811 H ARG 112 H ARG 112 4.250 9.559 1.854 812 HA ARG 112 HA ARG 112 6.729 10.895 2.604 813 1HB ARG 112 1HB ARG 112 4.030 11.765 1.682 814 2HB ARG 112 2HB ARG 112 5.035 12.893 2.579 815 1HG ARG 112 1HG ARG 112 6.842 12.174 0.806 816 2HG ARG 112 2HG ARG 112 5.412 11.763 -0.144 817 1HD ARG 112 1HD ARG 112 5.935 13.983 -0.724 818 2HD ARG 112 2HD ARG 112 4.569 14.096 0.386 819 HE ARG 112 HE ARG 112 7.014 14.297 1.798 820 1HH1 ARG 112 1HH1 ARG 112 4.916 16.098 -0.323 821 2HH1 ARG 112 2HH1 ARG 112 5.415 17.641 0.284 822 1HH2 ARG 112 1HH2 ARG 112 7.677 16.325 2.603 823 2HH2 ARG 112 2HH2 ARG 112 6.985 17.771 1.946 824 H ASN 113 H ASN 113 5.953 9.157 4.528 825 HA ASN 113 HA ASN 113 5.418 10.945 6.740 826 1HB ASN 113 1HB ASN 113 3.193 9.915 5.815 827 2HB ASN 113 2HB ASN 113 3.738 8.465 6.651 828 2HD2 ASN 113 2HD2 ASN 113 2.512 8.319 8.396 829 1HD2 ASN 113 1HD2 ASN 113 2.256 9.574 9.555 830 H ARG 114 H ARG 114 5.510 7.464 6.033 831 HA ARG 114 HA ARG 114 7.471 7.161 8.208 832 1HB ARG 114 1HB ARG 114 5.210 5.499 7.252 833 2HB ARG 114 2HB ARG 114 6.637 4.653 7.820 834 1HG ARG 114 1HG ARG 114 5.487 6.815 9.508 835 2HG ARG 114 2HG ARG 114 4.677 5.248 9.450 836 1HD ARG 114 1HD ARG 114 7.256 4.487 9.798 837 2HD ARG 114 2HD ARG 114 7.236 6.015 10.677 838 HE ARG 114 HE ARG 114 5.005 4.446 11.409 839 1HH1 ARG 114 1HH1 ARG 114 8.459 4.633 11.823 840 2HH1 ARG 114 2HH1 ARG 114 8.447 3.838 13.361 841 1HH2 ARG 114 1HH2 ARG 114 4.980 3.398 13.434 842 2HH2 ARG 114 2HH2 ARG 114 6.470 3.135 14.276 843 H CYS 115 H CYS 115 7.494 7.474 5.002 844 HA CYS 115 HA CYS 115 9.528 5.380 4.610 845 1HB CYS 115 1HB CYS 115 7.595 6.657 2.697 846 2HB CYS 115 2HB CYS 115 9.041 5.833 2.122 847 H LYS 116 H LYS 116 8.737 8.731 3.661 848 HA LYS 116 HA LYS 116 11.251 9.306 2.546 849 1HB LYS 116 1HB LYS 116 9.031 10.606 2.355 850 2HB LYS 116 2HB LYS 116 9.507 11.372 3.865 851 1HG LYS 116 1HG LYS 116 11.618 11.394 1.860 852 2HG LYS 116 2HG LYS 116 10.155 12.235 1.345 853 1HD LYS 116 1HD LYS 116 10.341 13.223 3.813 854 2HD LYS 116 2HD LYS 116 12.049 12.871 3.538 855 1HE LYS 116 1HE LYS 116 10.351 14.443 1.612 856 2HE LYS 116 2HE LYS 116 11.291 15.190 2.902 857 1HZ LYS 116 1HZ LYS 116 12.914 13.402 1.439 858 2HZ LYS 116 2HZ LYS 116 12.168 14.482 0.372 859 3HZ LYS 116 3HZ LYS 116 13.100 15.070 1.656 860 H GLY 117 H GLY 117 12.860 8.549 3.952 861 1HA GLY 117 1HA GLY 117 13.056 9.903 6.554 862 2HA GLY 117 2HA GLY 117 14.383 10.046 5.413 863 H THR 118 H THR 118 13.222 7.039 4.861 864 HA THR 118 HA THR 118 14.964 5.841 6.912 865 HB THR 118 HB THR 118 13.601 3.769 6.651 866 HG1 THR 118 HG1 THR 118 12.690 4.226 4.599 867 1HG2 THR 118 1HG2 THR 118 13.194 5.553 8.417 868 2HG2 THR 118 2HG2 THR 118 11.845 6.092 7.417 869 3HG2 THR 118 3HG2 THR 118 11.851 4.460 8.084 870 H ASP 119 H ASP 119 14.695 3.213 5.582 871 HA ASP 119 HA ASP 119 16.319 3.702 3.191 872 1HB ASP 119 1HB ASP 119 17.458 2.870 5.375 873 2HB ASP 119 2HB ASP 119 16.841 1.333 4.815 874 H VAL 120 H VAL 120 14.829 3.259 1.659 875 HA VAL 120 HA VAL 120 13.006 1.084 1.794 876 HB VAL 120 HB VAL 120 12.546 1.606 -0.589 877 1HG1 VAL 120 1HG1 VAL 120 11.940 3.089 1.656 878 2HG1 VAL 120 2HG1 VAL 120 12.492 4.301 0.500 879 3HG1 VAL 120 3HG1 VAL 120 11.162 3.223 0.078 880 1HG2 VAL 120 1HG2 VAL 120 14.988 3.255 -0.228 881 2HG2 VAL 120 2HG2 VAL 120 14.427 2.353 -1.636 882 3HG2 VAL 120 3HG2 VAL 120 13.699 3.910 -1.239 883 H GLN 121 H GLN 121 16.176 1.589 0.364 884 HA GLN 121 HA GLN 121 16.286 -0.684 -1.272 885 1HB GLN 121 1HB GLN 121 18.185 1.238 -0.154 886 2HB GLN 121 2HB GLN 121 18.872 -0.371 -0.323 887 1HG GLN 121 1HG GLN 121 18.007 -0.325 -2.709 888 2HG GLN 121 2HG GLN 121 17.732 1.398 -2.459 889 2HE2 GLN 121 2HE2 GLN 121 19.722 2.502 -1.417 890 1HE2 GLN 121 1HE2 GLN 121 21.235 2.141 -2.169 891 H ALA 122 H ALA 122 16.390 -0.275 2.128 892 HA ALA 122 HA ALA 122 17.476 -2.926 2.633 893 1HB ALA 122 1HB ALA 122 18.063 -0.917 4.037 894 2HB ALA 122 2HB ALA 122 17.505 -2.331 4.931 895 3HB ALA 122 3HB ALA 122 16.415 -0.970 4.662 896 H TRP 123 H TRP 123 14.431 -1.324 2.315 897 HA TRP 123 HA TRP 123 12.814 -2.979 3.908 898 1HB TRP 123 1HB TRP 123 12.356 -1.164 1.598 899 2HB TRP 123 2HB TRP 123 11.086 -2.324 1.973 900 HD1 TRP 123 HD1 TRP 123 11.565 1.080 2.534 901 HE1 TRP 123 HE1 TRP 123 10.624 1.908 4.782 902 HE3 TRP 123 HE3 TRP 123 11.112 -3.380 4.958 903 HZ2 TRP 123 HZ2 TRP 123 9.811 0.781 7.229 904 HZ3 TRP 123 HZ3 TRP 123 10.249 -3.430 7.241 905 HH2 TRP 123 HH2 TRP 123 9.605 -1.366 8.365 906 H ILE 124 H ILE 124 14.508 -3.684 1.045 907 HA ILE 124 HA ILE 124 12.982 -6.188 0.740 908 HB ILE 124 HB ILE 124 13.785 -6.129 -1.681 909 1HG1 ILE 124 1HG1 ILE 124 13.707 -3.345 -2.056 910 2HG1 ILE 124 2HG1 ILE 124 14.823 -3.610 -0.721 911 1HG2 ILE 124 1HG2 ILE 124 11.622 -4.456 -0.497 912 2HG2 ILE 124 2HG2 ILE 124 11.903 -4.403 -2.238 913 3HG2 ILE 124 3HG2 ILE 124 11.509 -5.933 -1.455 914 1HD1 ILE 124 1HD1 ILE 124 15.063 -5.198 -3.239 915 2HD1 ILE 124 2HD1 ILE 124 15.733 -3.570 -3.123 916 3HD1 ILE 124 3HD1 ILE 124 16.290 -4.833 -2.025 917 H ARG 125 H ARG 125 15.579 -5.202 2.096 918 HA ARG 125 HA ARG 125 17.726 -6.549 0.823 919 1HB ARG 125 1HB ARG 125 17.356 -4.926 3.134 920 2HB ARG 125 2HB ARG 125 18.189 -6.393 3.631 921 1HG ARG 125 1HG ARG 125 19.639 -5.828 1.475 922 2HG ARG 125 2HG ARG 125 19.097 -4.195 1.873 923 1HD ARG 125 1HD ARG 125 20.086 -4.282 4.012 924 2HD ARG 125 2HD ARG 125 20.316 -6.028 3.920 925 HE ARG 125 HE ARG 125 21.989 -3.976 2.739 926 1HH1 ARG 125 1HH1 ARG 125 21.150 -7.355 2.868 927 2HH1 ARG 125 2HH1 ARG 125 22.658 -7.887 2.204 928 1HH2 ARG 125 1HH2 ARG 125 23.978 -4.668 1.863 929 2HH2 ARG 125 2HH2 ARG 125 24.266 -6.360 1.633 930 H GLY 126 H GLY 126 17.072 -8.651 0.335 931 1HA GLY 126 1HA GLY 126 16.553 -10.402 2.652 932 2HA GLY 126 2HA GLY 126 17.768 -10.826 1.457 933 H CYS 127 H CYS 127 15.192 -9.260 -0.006 934 HA CYS 127 HA CYS 127 13.448 -11.497 -0.291 935 1HB CYS 127 1HB CYS 127 13.519 -8.743 -1.225 936 2HB CYS 127 2HB CYS 127 12.597 -9.857 -2.213 937 H ARG 128 H ARG 128 12.704 -11.820 -2.771 938 HA ARG 128 HA ARG 128 15.086 -12.223 -4.429 939 1HB ARG 128 1HB ARG 128 14.273 -14.306 -3.024 940 2HB ARG 128 2HB ARG 128 13.067 -14.424 -4.298 941 1HG ARG 128 1HG ARG 128 14.743 -14.698 -5.967 942 2HG ARG 128 2HG ARG 128 16.028 -14.316 -4.819 943 1HD ARG 128 1HD ARG 128 15.735 -16.342 -3.658 944 2HD ARG 128 2HD ARG 128 14.176 -16.647 -4.422 945 HE ARG 128 HE ARG 128 15.271 -17.432 -6.310 946 1HH1 ARG 128 1HH1 ARG 128 17.545 -16.131 -4.012 947 2HH1 ARG 128 2HH1 ARG 128 18.929 -16.812 -4.802 948 1HH2 ARG 128 1HH2 ARG 128 17.087 -18.331 -7.355 949 2HH2 ARG 128 2HH2 ARG 128 18.668 -18.062 -6.702 950 H LEU 129 H LEU 129 14.570 -10.864 -6.046 951 HA LEU 129 HA LEU 129 12.020 -11.344 -7.439 952 1HB LEU 129 1HB LEU 129 12.259 -8.853 -8.109 953 2HB LEU 129 2HB LEU 129 11.612 -9.260 -6.532 954 HG LEU 129 HG LEU 129 14.455 -8.977 -6.325 955 1HD1 LEU 129 1HD1 LEU 129 13.088 -7.016 -8.045 956 2HD1 LEU 129 2HD1 LEU 129 14.105 -6.349 -6.768 957 3HD1 LEU 129 3HD1 LEU 129 14.792 -7.458 -7.955 958 1HD2 LEU 129 1HD2 LEU 129 12.078 -8.294 -4.941 959 2HD2 LEU 129 2HD2 LEU 129 13.740 -8.260 -4.354 960 3HD2 LEU 129 3HD2 LEU 129 13.045 -6.830 -5.118 No H/Q in entry = 960 Start of MODEL 46 1 H1 LYS 1 H1 LYS 1 -6.353 -10.021 2.747 2 H2 LYS 1 H2 LYS 1 -7.698 -10.453 1.817 3 H3 LYS 1 H3 LYS 1 -7.047 -11.554 2.923 4 HA LYS 1 HA LYS 1 -5.397 -12.195 1.575 5 1HB LYS 1 1HB LYS 1 -7.754 -11.332 0.092 6 2HB LYS 1 2HB LYS 1 -6.315 -11.370 -0.916 7 1HG LYS 1 1HG LYS 1 -5.942 -13.720 -0.016 8 2HG LYS 1 2HG LYS 1 -7.595 -13.623 0.591 9 1HD LYS 1 1HD LYS 1 -8.238 -14.354 -1.418 10 2HD LYS 1 2HD LYS 1 -7.806 -12.754 -2.025 11 1HE LYS 1 1HE LYS 1 -6.070 -15.217 -1.970 12 2HE LYS 1 2HE LYS 1 -6.735 -14.412 -3.392 13 1HZ LYS 1 1HZ LYS 1 -5.400 -12.401 -2.340 14 2HZ LYS 1 2HZ LYS 1 -4.458 -13.666 -1.729 15 3HZ LYS 1 3HZ LYS 1 -4.678 -13.505 -3.400 16 H VAL 2 H VAL 2 -3.767 -10.693 2.361 17 HA VAL 2 HA VAL 2 -3.206 -8.390 0.653 18 HB VAL 2 HB VAL 2 -1.971 -9.326 3.244 19 1HG1 VAL 2 1HG1 VAL 2 -0.541 -8.030 1.348 20 2HG1 VAL 2 2HG1 VAL 2 -1.252 -6.666 2.208 21 3HG1 VAL 2 3HG1 VAL 2 -0.274 -7.844 3.081 22 1HG2 VAL 2 1HG2 VAL 2 -4.072 -7.444 2.511 23 2HG2 VAL 2 2HG2 VAL 2 -3.710 -8.189 4.068 24 3HG2 VAL 2 3HG2 VAL 2 -2.837 -6.744 3.559 25 H PHE 3 H PHE 3 -1.278 -8.136 -0.502 26 HA PHE 3 HA PHE 3 -0.155 -10.433 -1.676 27 1HB PHE 3 1HB PHE 3 0.463 -7.506 -1.689 28 2HB PHE 3 2HB PHE 3 1.668 -8.621 -2.311 29 HD1 PHE 3 HD1 PHE 3 1.272 -9.869 -4.343 30 HD2 PHE 3 HD2 PHE 3 -1.595 -7.112 -2.840 31 HE1 PHE 3 HE1 PHE 3 0.141 -9.861 -6.525 32 HE2 PHE 3 HE2 PHE 3 -2.732 -7.096 -5.016 33 HZ PHE 3 HZ PHE 3 -1.866 -8.476 -6.866 34 H GLY 4 H GLY 4 2.169 -10.924 -1.649 35 1HA GLY 4 1HA GLY 4 3.807 -11.931 -0.303 36 2HA GLY 4 2HA GLY 4 3.147 -11.078 1.089 37 H ARG 5 H ARG 5 5.425 -10.578 1.574 38 HA ARG 5 HA ARG 5 6.093 -7.966 0.890 39 1HB ARG 5 1HB ARG 5 7.155 -9.989 2.564 40 2HB ARG 5 2HB ARG 5 8.479 -9.410 1.562 41 1HG ARG 5 1HG ARG 5 8.092 -7.140 2.296 42 2HG ARG 5 2HG ARG 5 6.685 -7.658 3.229 43 1HD ARG 5 1HD ARG 5 9.212 -9.071 3.797 44 2HD ARG 5 2HD ARG 5 9.155 -7.373 4.268 45 HE ARG 5 HE ARG 5 7.346 -7.881 5.730 46 1HH1 ARG 5 1HH1 ARG 5 8.811 -10.672 4.246 47 2HH1 ARG 5 2HH1 ARG 5 8.180 -11.785 5.413 48 1HH2 ARG 5 1HH2 ARG 5 6.512 -9.339 7.272 49 2HH2 ARG 5 2HH2 ARG 5 6.873 -11.027 7.133 50 H CYS 6 H CYS 6 7.932 -10.858 -0.129 51 HA CYS 6 HA CYS 6 9.119 -9.330 -2.258 52 1HB CYS 6 1HB CYS 6 9.322 -12.311 -2.063 53 2HB CYS 6 2HB CYS 6 10.488 -11.139 -2.670 54 H GLU 7 H GLU 7 6.604 -11.776 -1.936 55 HA GLU 7 HA GLU 7 6.200 -12.519 -4.553 56 1HB GLU 7 1HB GLU 7 4.154 -11.883 -2.417 57 2HB GLU 7 2HB GLU 7 3.731 -12.598 -3.967 58 1HG GLU 7 1HG GLU 7 5.152 -14.519 -3.472 59 2HG GLU 7 2HG GLU 7 5.577 -13.803 -1.918 60 H LEU 8 H LEU 8 4.940 -9.672 -2.892 61 HA LEU 8 HA LEU 8 3.728 -8.474 -5.132 62 1HB LEU 8 1HB LEU 8 3.174 -7.857 -2.834 63 2HB LEU 8 2HB LEU 8 4.797 -7.254 -2.583 64 HG LEU 8 HG LEU 8 2.808 -5.613 -3.047 65 1HD1 LEU 8 1HD1 LEU 8 5.504 -5.337 -4.360 66 2HD1 LEU 8 2HD1 LEU 8 4.385 -4.015 -4.027 67 3HD1 LEU 8 3HD1 LEU 8 5.099 -4.922 -2.694 68 1HD2 LEU 8 1HD2 LEU 8 2.456 -6.949 -5.296 69 2HD2 LEU 8 2HD2 LEU 8 2.184 -5.209 -5.204 70 3HD2 LEU 8 3HD2 LEU 8 3.691 -5.833 -5.876 71 H ALA 9 H ALA 9 6.984 -8.153 -3.685 72 HA ALA 9 HA ALA 9 7.863 -6.037 -5.307 73 1HB ALA 9 1HB ALA 9 9.248 -6.404 -3.524 74 2HB ALA 9 2HB ALA 9 10.180 -7.116 -4.841 75 3HB ALA 9 3HB ALA 9 9.260 -8.153 -3.751 76 H ALA 10 H ALA 10 8.397 -9.546 -5.757 77 HA ALA 10 HA ALA 10 9.783 -9.463 -8.132 78 1HB ALA 10 1HB ALA 10 9.571 -11.688 -8.051 79 2HB ALA 10 2HB ALA 10 7.812 -11.598 -8.128 80 3HB ALA 10 3HB ALA 10 8.635 -11.447 -6.576 81 H ALA 11 H ALA 11 6.332 -9.170 -7.521 82 HA ALA 11 HA ALA 11 5.526 -9.211 -10.218 83 1HB ALA 11 1HB ALA 11 4.154 -7.997 -7.840 84 2HB ALA 11 2HB ALA 11 3.934 -9.641 -8.439 85 3HB ALA 11 3HB ALA 11 3.408 -8.269 -9.414 86 H MET 12 H MET 12 6.499 -6.740 -8.051 87 HA MET 12 HA MET 12 5.851 -4.456 -9.532 88 1HB MET 12 1HB MET 12 8.386 -4.684 -7.935 89 2HB MET 12 2HB MET 12 7.413 -3.261 -8.206 90 1HG MET 12 1HG MET 12 6.339 -5.599 -6.702 91 2HG MET 12 2HG MET 12 7.309 -4.359 -5.915 92 1HE MET 12 1HE MET 12 6.345 -1.920 -7.873 93 2HE MET 12 2HE MET 12 5.106 -1.172 -6.866 94 3HE MET 12 3HE MET 12 6.629 -1.693 -6.147 95 H LYS 13 H LYS 13 8.905 -6.274 -9.456 96 HA LYS 13 HA LYS 13 10.311 -4.834 -11.356 97 1HB LYS 13 1HB LYS 13 11.086 -6.800 -9.878 98 2HB LYS 13 2HB LYS 13 10.481 -7.835 -11.164 99 1HG LYS 13 1HG LYS 13 12.042 -6.964 -12.720 100 2HG LYS 13 2HG LYS 13 12.504 -5.660 -11.624 101 1HD LYS 13 1HD LYS 13 13.854 -7.000 -10.388 102 2HD LYS 13 2HD LYS 13 12.823 -8.416 -10.602 103 1HE LYS 13 1HE LYS 13 13.870 -7.744 -13.140 104 2HE LYS 13 2HE LYS 13 15.210 -7.705 -11.996 105 1HZ LYS 13 1HZ LYS 13 13.341 -9.978 -11.981 106 2HZ LYS 13 2HZ LYS 13 14.575 -9.916 -13.137 107 3HZ LYS 13 3HZ LYS 13 14.959 -9.922 -11.490 108 H ARG 14 H ARG 14 8.069 -7.535 -11.788 109 HA ARG 14 HA ARG 14 8.351 -7.755 -14.580 110 1HB ARG 14 1HB ARG 14 7.267 -9.429 -13.010 111 2HB ARG 14 2HB ARG 14 5.854 -8.384 -13.002 112 1HG ARG 14 1HG ARG 14 5.331 -9.964 -14.606 113 2HG ARG 14 2HG ARG 14 5.941 -8.615 -15.567 114 1HD ARG 14 1HD ARG 14 7.262 -10.152 -16.523 115 2HD ARG 14 2HD ARG 14 8.225 -10.013 -15.053 116 HE ARG 14 HE ARG 14 6.265 -11.902 -14.545 117 1HH1 ARG 14 1HH1 ARG 14 8.951 -11.505 -16.729 118 2HH1 ARG 14 2HH1 ARG 14 9.259 -13.204 -16.863 119 1HH2 ARG 14 1HH2 ARG 14 6.665 -14.140 -14.716 120 2HH2 ARG 14 2HH2 ARG 14 7.959 -14.702 -15.720 121 H HIS 15 H HIS 15 6.150 -5.878 -12.530 122 HA HIS 15 HA HIS 15 4.673 -4.819 -14.708 123 1HB HIS 15 1HB HIS 15 4.845 -4.216 -11.772 124 2HB HIS 15 2HB HIS 15 3.877 -3.214 -12.850 125 HD1 HIS 15 HD1 HIS 15 2.158 -4.383 -10.893 126 HD2 HIS 15 HD2 HIS 15 3.366 -6.633 -14.171 127 HE1 HIS 15 HE1 HIS 15 0.468 -6.232 -11.099 128 HE2 HIS 15 HE2 HIS 15 1.269 -7.632 -13.034 129 H GLY 16 H GLY 16 7.827 -4.132 -13.743 130 1HA GLY 16 1HA GLY 16 7.838 -1.811 -15.376 131 2HA GLY 16 2HA GLY 16 9.208 -2.539 -14.567 132 H LEU 17 H LEU 17 7.752 -2.220 -11.840 133 HA LEU 17 HA LEU 17 7.632 0.659 -11.692 134 1HB LEU 17 1HB LEU 17 7.628 -1.132 -9.296 135 2HB LEU 17 2HB LEU 17 6.884 0.441 -9.485 136 HG LEU 17 HG LEU 17 5.837 -2.229 -10.087 137 1HD1 LEU 17 1HD1 LEU 17 5.098 -0.025 -8.599 138 2HD1 LEU 17 2HD1 LEU 17 3.983 0.006 -9.965 139 3HD1 LEU 17 3HD1 LEU 17 4.092 -1.431 -8.948 140 1HD2 LEU 17 1HD2 LEU 17 5.550 0.012 -12.062 141 2HD2 LEU 17 2HD2 LEU 17 5.875 -1.695 -12.359 142 3HD2 LEU 17 3HD2 LEU 17 4.269 -1.180 -11.845 143 H ASP 18 H ASP 18 10.016 -1.515 -11.776 144 HA ASP 18 HA ASP 18 11.815 -0.388 -9.832 145 1HB ASP 18 1HB ASP 18 12.258 -2.650 -10.332 146 2HB ASP 18 2HB ASP 18 12.134 -2.383 -12.065 147 H ASN 19 H ASN 19 11.860 1.793 -10.288 148 HA ASN 19 HA ASN 19 12.990 3.630 -11.096 149 1HB ASN 19 1HB ASN 19 14.476 1.676 -12.314 150 2HB ASN 19 2HB ASN 19 13.787 2.512 -13.703 151 2HD2 ASN 19 2HD2 ASN 19 16.495 2.349 -12.161 152 1HD2 ASN 19 1HD2 ASN 19 17.011 3.998 -12.144 153 H TYR 20 H TYR 20 10.316 3.017 -11.365 154 HA TYR 20 HA TYR 20 9.501 3.755 -14.067 155 1HB TYR 20 1HB TYR 20 8.306 2.004 -12.661 156 2HB TYR 20 2HB TYR 20 7.674 3.341 -11.704 157 HD1 TYR 20 HD1 TYR 20 7.616 1.705 -14.997 158 HD2 TYR 20 HD2 TYR 20 5.956 4.786 -12.577 159 HE1 TYR 20 HE1 TYR 20 5.793 1.993 -16.623 160 HE2 TYR 20 HE2 TYR 20 4.128 5.080 -14.195 161 HH TYR 20 HH TYR 20 3.219 4.386 -16.095 162 H ARG 21 H ARG 21 9.138 5.775 -14.680 163 HA ARG 21 HA ARG 21 8.838 8.034 -14.610 164 1HB ARG 21 1HB ARG 21 7.032 6.967 -12.610 165 2HB ARG 21 2HB ARG 21 7.634 8.547 -12.124 166 1HG ARG 21 1HG ARG 21 6.394 7.976 -14.804 167 2HG ARG 21 2HG ARG 21 5.506 8.596 -13.412 168 1HD ARG 21 1HD ARG 21 6.277 10.670 -13.718 169 2HD ARG 21 2HD ARG 21 7.930 10.106 -13.958 170 HE ARG 21 HE ARG 21 5.893 10.150 -16.091 171 1HH1 ARG 21 1HH1 ARG 21 9.169 10.536 -14.969 172 2HH1 ARG 21 2HH1 ARG 21 9.790 10.961 -16.528 173 1HH2 ARG 21 1HH2 ARG 21 6.703 10.710 -18.149 174 2HH2 ARG 21 2HH2 ARG 21 8.388 11.061 -18.335 175 H GLY 22 H GLY 22 10.977 6.482 -13.237 176 1HA GLY 22 1HA GLY 22 12.254 8.767 -11.942 177 2HA GLY 22 2HA GLY 22 13.066 7.332 -12.541 178 H TYR 23 H TYR 23 10.556 6.015 -10.878 179 HA TYR 23 HA TYR 23 12.014 6.213 -8.344 180 1HB TYR 23 1HB TYR 23 9.124 5.819 -8.958 181 2HB TYR 23 2HB TYR 23 9.778 5.221 -7.433 182 HD1 TYR 23 HD1 TYR 23 11.409 7.050 -6.260 183 HD2 TYR 23 HD2 TYR 23 8.168 7.917 -8.877 184 HE1 TYR 23 HE1 TYR 23 11.246 9.307 -5.299 185 HE2 TYR 23 HE2 TYR 23 7.996 10.176 -7.921 186 HH TYR 23 HH TYR 23 8.629 11.482 -6.150 187 H SER 24 H SER 24 13.057 4.565 -7.557 188 HA SER 24 HA SER 24 13.175 2.100 -8.975 189 1HB SER 24 1HB SER 24 14.778 1.432 -7.217 190 2HB SER 24 2HB SER 24 15.162 3.020 -7.879 191 HG SER 24 HG SER 24 15.164 3.558 -5.839 192 H LEU 25 H LEU 25 12.810 0.019 -8.049 193 HA LEU 25 HA LEU 25 10.289 -0.527 -7.244 194 1HB LEU 25 1HB LEU 25 12.866 -1.952 -7.016 195 2HB LEU 25 2HB LEU 25 11.565 -2.562 -6.016 196 HG LEU 25 HG LEU 25 11.912 -2.674 -8.951 197 1HD1 LEU 25 1HD1 LEU 25 10.754 -4.443 -6.818 198 2HD1 LEU 25 2HD1 LEU 25 10.652 -4.820 -8.537 199 3HD1 LEU 25 3HD1 LEU 25 12.227 -4.681 -7.757 200 1HD2 LEU 25 1HD2 LEU 25 9.193 -2.420 -7.671 201 2HD2 LEU 25 2HD2 LEU 25 9.918 -1.295 -8.819 202 3HD2 LEU 25 3HD2 LEU 25 9.499 -2.930 -9.332 203 H GLY 26 H GLY 26 13.047 -0.277 -4.979 204 1HA GLY 26 1HA GLY 26 13.105 0.435 -2.794 205 2HA GLY 26 2HA GLY 26 11.842 -0.769 -2.604 206 H ASN 27 H ASN 27 11.632 2.311 -4.359 207 HA ASN 27 HA ASN 27 10.334 3.732 -2.288 208 1HB ASN 27 1HB ASN 27 10.125 4.241 -5.259 209 2HB ASN 27 2HB ASN 27 9.834 5.399 -3.967 210 2HD2 ASN 27 2HD2 ASN 27 11.830 5.063 -6.281 211 1HD2 ASN 27 1HD2 ASN 27 13.349 5.428 -5.546 212 H TRP 28 H TRP 28 9.175 1.643 -4.825 213 HA TRP 28 HA TRP 28 6.410 2.317 -4.498 214 1HB TRP 28 1HB TRP 28 7.672 -0.031 -5.908 215 2HB TRP 28 2HB TRP 28 5.996 0.499 -6.064 216 HD1 TRP 28 HD1 TRP 28 9.508 1.333 -7.196 217 HE1 TRP 28 HE1 TRP 28 9.407 3.174 -8.977 218 HE3 TRP 28 HE3 TRP 28 4.561 2.496 -6.853 219 HZ2 TRP 28 HZ2 TRP 28 7.506 4.914 -10.107 220 HZ3 TRP 28 HZ3 TRP 28 3.639 4.244 -8.307 221 HH2 TRP 28 HH2 TRP 28 5.085 5.436 -9.913 222 H VAL 29 H VAL 29 8.574 -0.170 -3.221 223 HA VAL 29 HA VAL 29 6.506 -1.781 -2.146 224 HB VAL 29 HB VAL 29 9.430 -1.579 -1.416 225 1HG1 VAL 29 1HG1 VAL 29 7.395 -3.667 -0.644 226 2HG1 VAL 29 2HG1 VAL 29 9.131 -3.778 -0.356 227 3HG1 VAL 29 3HG1 VAL 29 8.185 -2.519 0.438 228 1HG2 VAL 29 1HG2 VAL 29 7.892 -3.175 -3.409 229 2HG2 VAL 29 2HG2 VAL 29 9.456 -2.375 -3.569 230 3HG2 VAL 29 3HG2 VAL 29 9.324 -3.882 -2.662 231 H CYS 30 H CYS 30 8.705 0.619 -0.718 232 HA CYS 30 HA CYS 30 7.704 0.472 1.886 233 1HB CYS 30 1HB CYS 30 9.828 1.623 1.099 234 2HB CYS 30 2HB CYS 30 8.809 2.975 0.614 235 H ALA 31 H ALA 31 6.780 2.616 -0.815 236 HA ALA 31 HA ALA 31 4.897 4.136 0.595 237 1HB ALA 31 1HB ALA 31 5.294 3.512 -2.308 238 2HB ALA 31 2HB ALA 31 5.568 5.027 -1.447 239 3HB ALA 31 3HB ALA 31 3.922 4.478 -1.763 240 H ALA 32 H ALA 32 4.509 1.198 -1.361 241 HA ALA 32 HA ALA 32 1.704 1.022 -1.057 242 1HB ALA 32 1HB ALA 32 3.093 -0.111 -2.819 243 2HB ALA 32 2HB ALA 32 3.569 -1.279 -1.586 244 3HB ALA 32 3HB ALA 32 1.874 -1.126 -2.049 245 H LYS 33 H LYS 33 4.395 -0.486 0.708 246 HA LYS 33 HA LYS 33 3.039 -2.232 2.323 247 1HB LYS 33 1HB LYS 33 5.521 -1.924 2.188 248 2HB LYS 33 2HB LYS 33 5.349 -0.508 3.215 249 1HG LYS 33 1HG LYS 33 4.857 -1.747 5.080 250 2HG LYS 33 2HG LYS 33 4.234 -3.108 4.144 251 1HD LYS 33 1HD LYS 33 6.413 -3.825 3.563 252 2HD LYS 33 2HD LYS 33 7.137 -2.316 4.125 253 1HE LYS 33 1HE LYS 33 7.119 -2.958 6.293 254 2HE LYS 33 2HE LYS 33 5.602 -3.842 6.129 255 1HZ LYS 33 1HZ LYS 33 7.913 -4.959 4.754 256 2HZ LYS 33 2HZ LYS 33 7.937 -5.039 6.444 257 3HZ LYS 33 3HZ LYS 33 6.663 -5.741 5.580 258 H PHE 34 H PHE 34 3.837 1.144 3.174 259 HA PHE 34 HA PHE 34 2.214 1.019 5.497 260 1HB PHE 34 1HB PHE 34 3.890 3.022 4.231 261 2HB PHE 34 2HB PHE 34 2.620 3.645 5.264 262 HD1 PHE 34 HD1 PHE 34 2.575 2.994 7.657 263 HD2 PHE 34 HD2 PHE 34 5.828 1.990 5.103 264 HE1 PHE 34 HE1 PHE 34 3.980 2.548 9.628 265 HE2 PHE 34 HE2 PHE 34 7.238 1.543 7.069 266 HZ PHE 34 HZ PHE 34 6.314 1.821 9.334 267 H GLU 35 H GLU 35 1.667 2.057 2.231 268 HA GLU 35 HA GLU 35 -0.577 3.666 2.656 269 1HB GLU 35 1HB GLU 35 0.738 2.328 0.418 270 2HB GLU 35 2HB GLU 35 -1.003 2.453 0.213 271 1HG GLU 35 1HG GLU 35 -0.964 4.774 0.224 272 2HG GLU 35 2HG GLU 35 0.619 4.839 0.998 273 H SER 36 H SER 36 -0.425 0.252 1.676 274 HA SER 36 HA SER 36 -3.107 -0.122 2.849 275 1HB SER 36 1HB SER 36 -3.630 -1.620 0.925 276 2HB SER 36 2HB SER 36 -3.353 0.052 0.441 277 HG SER 36 HG SER 36 -1.168 -0.609 -0.050 278 H ASN 37 H ASN 37 0.016 -1.074 3.114 279 HA ASN 37 HA ASN 37 1.059 -2.877 4.050 280 1HB ASN 37 1HB ASN 37 -1.459 -2.702 5.333 281 2HB ASN 37 2HB ASN 37 -1.196 -4.408 4.981 282 2HD2 ASN 37 2HD2 ASN 37 -1.023 -2.468 7.411 283 1HD2 ASN 37 1HD2 ASN 37 0.421 -2.990 8.201 284 H PHE 38 H PHE 38 -0.029 -2.889 1.345 285 HA PHE 38 HA PHE 38 -0.029 -4.162 -0.479 286 1HB PHE 38 1HB PHE 38 0.888 -6.391 1.350 287 2HB PHE 38 2HB PHE 38 0.962 -6.389 -0.407 288 HD1 PHE 38 HD1 PHE 38 2.106 -4.113 -1.344 289 HD2 PHE 38 HD2 PHE 38 2.886 -5.969 2.405 290 HE1 PHE 38 HE1 PHE 38 4.304 -3.015 -1.268 291 HE2 PHE 38 HE2 PHE 38 5.089 -4.875 2.488 292 HZ PHE 38 HZ PHE 38 5.802 -3.400 0.650 293 H ASN 39 H ASN 39 -2.361 -3.964 1.386 294 HA ASN 39 HA ASN 39 -3.768 -6.454 0.997 295 1HB ASN 39 1HB ASN 39 -4.146 -5.028 3.006 296 2HB ASN 39 2HB ASN 39 -4.843 -3.798 1.961 297 2HD2 ASN 39 2HD2 ASN 39 -5.276 -7.227 1.473 298 1HD2 ASN 39 1HD2 ASN 39 -6.959 -7.268 1.861 299 H THR 40 H THR 40 -4.542 -6.974 -0.886 300 HA THR 40 HA THR 40 -4.752 -5.261 -3.086 301 HB THR 40 HB THR 40 -5.353 -7.109 -4.295 302 HG1 THR 40 HG1 THR 40 -7.007 -8.399 -3.753 303 1HG2 THR 40 1HG2 THR 40 -3.675 -7.688 -2.144 304 2HG2 THR 40 2HG2 THR 40 -4.798 -9.045 -2.236 305 3HG2 THR 40 3HG2 THR 40 -3.836 -8.600 -3.645 306 H GLN 41 H GLN 41 -6.819 -5.894 -0.480 307 HA GLN 41 HA GLN 41 -9.106 -4.671 -1.844 308 1HB GLN 41 1HB GLN 41 -8.752 -6.791 0.173 309 2HB GLN 41 2HB GLN 41 -10.119 -5.736 0.408 310 1HG GLN 41 1HG GLN 41 -10.549 -6.262 -2.133 311 2HG GLN 41 2HG GLN 41 -9.572 -7.682 -1.761 312 2HE2 GLN 41 2HE2 GLN 41 -12.416 -5.874 -0.706 313 1HE2 GLN 41 1HE2 GLN 41 -13.288 -7.243 -0.113 314 H ALA 42 H ALA 42 -6.653 -3.707 0.068 315 HA ALA 42 HA ALA 42 -7.834 -2.468 2.269 316 1HB ALA 42 1HB ALA 42 -5.269 -2.435 0.965 317 2HB ALA 42 2HB ALA 42 -5.676 -2.213 2.666 318 3HB ALA 42 3HB ALA 42 -5.704 -0.835 1.567 319 H THR 43 H THR 43 -9.135 -0.831 2.496 320 HA THR 43 HA THR 43 -9.253 1.256 0.417 321 HB THR 43 HB THR 43 -11.555 1.357 0.508 322 HG1 THR 43 HG1 THR 43 -12.010 -0.146 2.790 323 1HG2 THR 43 1HG2 THR 43 -10.726 -0.959 -0.208 324 2HG2 THR 43 2HG2 THR 43 -11.308 -1.514 1.362 325 3HG2 THR 43 3HG2 THR 43 -12.434 -0.802 0.207 326 H ASN 44 H ASN 44 -8.953 3.328 1.184 327 HA ASN 44 HA ASN 44 -9.088 3.698 4.104 328 1HB ASN 44 1HB ASN 44 -6.772 3.751 2.611 329 2HB ASN 44 2HB ASN 44 -7.199 5.456 2.720 330 2HD2 ASN 44 2HD2 ASN 44 -5.840 2.801 4.301 331 1HD2 ASN 44 1HD2 ASN 44 -5.628 3.522 5.856 332 H ARG 45 H ARG 45 -10.862 4.884 4.418 333 HA ARG 45 HA ARG 45 -11.673 6.923 2.536 334 1HB ARG 45 1HB ARG 45 -12.970 5.336 4.465 335 2HB ARG 45 2HB ARG 45 -13.128 6.995 5.024 336 1HG ARG 45 1HG ARG 45 -14.298 7.654 3.114 337 2HG ARG 45 2HG ARG 45 -13.786 6.231 2.203 338 1HD ARG 45 1HD ARG 45 -15.472 4.988 2.990 339 2HD ARG 45 2HD ARG 45 -15.247 5.573 4.638 340 HE ARG 45 HE ARG 45 -16.530 7.583 3.908 341 1HH1 ARG 45 1HH1 ARG 45 -16.888 4.545 2.239 342 2HH1 ARG 45 2HH1 ARG 45 -18.486 4.898 1.672 343 1HH2 ARG 45 1HH2 ARG 45 -18.633 8.055 3.167 344 2HH2 ARG 45 2HH2 ARG 45 -19.478 6.893 2.199 345 H ASN 46 H ASN 46 -11.104 8.985 2.617 346 HA ASN 46 HA ASN 46 -9.808 9.995 5.050 347 1HB ASN 46 1HB ASN 46 -9.768 11.438 2.423 348 2HB ASN 46 2HB ASN 46 -8.585 11.471 3.727 349 2HD2 ASN 46 2HD2 ASN 46 -7.227 9.628 4.015 350 1HD2 ASN 46 1HD2 ASN 46 -6.861 8.600 2.675 351 H THR 47 H THR 47 -10.078 12.499 5.223 352 HA THR 47 HA THR 47 -12.899 12.961 5.624 353 HB THR 47 HB THR 47 -12.146 15.152 6.578 354 HG1 THR 47 HG1 THR 47 -9.937 15.517 6.775 355 1HG2 THR 47 1HG2 THR 47 -11.880 12.563 7.619 356 2HG2 THR 47 2HG2 THR 47 -10.415 13.421 8.094 357 3HG2 THR 47 3HG2 THR 47 -11.996 14.073 8.523 358 H ASP 48 H ASP 48 -10.637 13.597 3.166 359 HA ASP 48 HA ASP 48 -11.799 16.011 2.159 360 1HB ASP 48 1HB ASP 48 -10.431 15.453 0.107 361 2HB ASP 48 2HB ASP 48 -9.520 15.616 1.604 362 H GLY 49 H GLY 49 -12.860 12.856 2.204 363 1HA GLY 49 1HA GLY 49 -14.744 13.424 0.015 364 2HA GLY 49 2HA GLY 49 -15.036 12.319 1.350 365 H SER 50 H SER 50 -12.037 12.371 -0.458 366 HA SER 50 HA SER 50 -12.795 10.229 -2.213 367 1HB SER 50 1HB SER 50 -10.133 10.236 -2.471 368 2HB SER 50 2HB SER 50 -11.157 11.439 -3.254 369 HG SER 50 HG SER 50 -9.527 11.687 -0.980 370 H THR 51 H THR 51 -11.115 8.330 -2.328 371 HA THR 51 HA THR 51 -10.517 7.297 0.347 372 HB THR 51 HB THR 51 -11.826 5.418 -1.565 373 HG1 THR 51 HG1 THR 51 -13.647 6.476 -1.465 374 1HG2 THR 51 1HG2 THR 51 -10.764 4.926 0.774 375 2HG2 THR 51 2HG2 THR 51 -12.291 5.564 1.382 376 3HG2 THR 51 3HG2 THR 51 -12.284 4.160 0.315 377 H ASP 52 H ASP 52 -9.382 5.078 0.119 378 HA ASP 52 HA ASP 52 -7.561 5.143 -2.199 379 1HB ASP 52 1HB ASP 52 -6.868 4.422 0.655 380 2HB ASP 52 2HB ASP 52 -5.761 4.393 -0.713 381 H TYR 53 H TYR 53 -8.853 3.626 -3.272 382 HA TYR 53 HA TYR 53 -9.071 0.990 -2.026 383 1HB TYR 53 1HB TYR 53 -10.200 1.933 -4.667 384 2HB TYR 53 2HB TYR 53 -10.555 0.414 -3.858 385 HD1 TYR 53 HD1 TYR 53 -11.642 0.609 -1.498 386 HD2 TYR 53 HD2 TYR 53 -11.605 3.746 -4.367 387 HE1 TYR 53 HE1 TYR 53 -13.573 1.642 -0.382 388 HE2 TYR 53 HE2 TYR 53 -13.539 4.788 -3.263 389 HH TYR 53 HH TYR 53 -15.556 3.643 -1.618 390 H GLY 54 H GLY 54 -6.720 0.528 -2.207 391 1HA GLY 54 1HA GLY 54 -5.529 0.469 -4.798 392 2HA GLY 54 2HA GLY 54 -6.095 -1.124 -4.322 393 H ILE 55 H ILE 55 -3.761 -1.658 -4.502 394 HA ILE 55 HA ILE 55 -2.554 -1.692 -1.922 395 HB ILE 55 HB ILE 55 -2.181 -3.468 -3.677 396 1HG1 ILE 55 1HG1 ILE 55 0.431 -2.235 -2.804 397 2HG1 ILE 55 2HG1 ILE 55 -0.670 -2.998 -1.660 398 1HG2 ILE 55 1HG2 ILE 55 -0.667 -1.218 -4.955 399 2HG2 ILE 55 2HG2 ILE 55 -0.265 -2.905 -5.279 400 3HG2 ILE 55 3HG2 ILE 55 -1.873 -2.291 -5.666 401 1HD1 ILE 55 1HD1 ILE 55 -0.508 -4.980 -3.408 402 2HD1 ILE 55 2HD1 ILE 55 1.041 -4.208 -3.747 403 3HD1 ILE 55 3HD1 ILE 55 0.671 -4.763 -2.114 404 H LEU 56 H LEU 56 -2.413 0.316 -4.727 405 HA LEU 56 HA LEU 56 -0.285 1.956 -3.534 406 1HB LEU 56 1HB LEU 56 -0.785 1.155 -6.229 407 2HB LEU 56 2HB LEU 56 -1.036 2.887 -6.140 408 HG LEU 56 HG LEU 56 1.217 2.779 -6.717 409 1HD1 LEU 56 1HD1 LEU 56 0.875 4.060 -4.602 410 2HD1 LEU 56 2HD1 LEU 56 1.398 2.631 -3.710 411 3HD1 LEU 56 3HD1 LEU 56 2.509 3.431 -4.821 412 1HD2 LEU 56 1HD2 LEU 56 1.058 0.170 -6.140 413 2HD2 LEU 56 2HD2 LEU 56 2.590 1.006 -6.397 414 3HD2 LEU 56 3HD2 LEU 56 2.014 0.704 -4.757 415 H GLN 57 H GLN 57 -3.415 1.662 -3.214 416 HA GLN 57 HA GLN 57 -5.071 3.000 -2.485 417 1HB GLN 57 1HB GLN 57 -2.967 5.160 -2.659 418 2HB GLN 57 2HB GLN 57 -4.563 5.379 -1.953 419 1HG GLN 57 1HG GLN 57 -3.859 3.329 -0.487 420 2HG GLN 57 2HG GLN 57 -2.231 3.837 -0.935 421 2HE2 GLN 57 2HE2 GLN 57 -2.295 6.488 -0.905 422 1HE2 GLN 57 1HE2 GLN 57 -2.719 7.094 0.656 423 H ILE 58 H ILE 58 -6.041 2.466 -4.648 424 HA ILE 58 HA ILE 58 -5.852 4.579 -6.616 425 HB ILE 58 HB ILE 58 -7.673 2.183 -6.719 426 1HG1 ILE 58 1HG1 ILE 58 -5.525 1.231 -6.387 427 2HG1 ILE 58 2HG1 ILE 58 -5.802 1.176 -8.124 428 1HG2 ILE 58 1HG2 ILE 58 -7.349 4.400 -8.386 429 2HG2 ILE 58 2HG2 ILE 58 -6.533 3.070 -9.208 430 3HG2 ILE 58 3HG2 ILE 58 -8.227 2.913 -8.743 431 1HD1 ILE 58 1HD1 ILE 58 -4.130 3.213 -6.670 432 2HD1 ILE 58 2HD1 ILE 58 -3.526 1.846 -7.605 433 3HD1 ILE 58 3HD1 ILE 58 -4.399 3.149 -8.412 434 H ASN 59 H ASN 59 -6.820 6.366 -5.832 435 HA ASN 59 HA ASN 59 -9.216 6.450 -4.380 436 1HB ASN 59 1HB ASN 59 -7.661 8.342 -4.468 437 2HB ASN 59 2HB ASN 59 -7.972 8.537 -6.192 438 2HD2 ASN 59 2HD2 ASN 59 -8.472 10.743 -5.448 439 1HD2 ASN 59 1HD2 ASN 59 -10.083 11.081 -4.922 440 H SER 60 H SER 60 -10.970 5.373 -5.213 441 HA SER 60 HA SER 60 -11.574 5.243 -7.965 442 1HB SER 60 1HB SER 60 -13.412 3.987 -7.337 443 2HB SER 60 2HB SER 60 -12.369 3.777 -5.931 444 HG SER 60 HG SER 60 -14.564 4.350 -5.416 445 H ARG 61 H ARG 61 -12.126 7.711 -5.623 446 HA ARG 61 HA ARG 61 -14.353 8.875 -7.082 447 1HB ARG 61 1HB ARG 61 -13.890 8.905 -4.489 448 2HB ARG 61 2HB ARG 61 -12.895 10.299 -4.889 449 1HG ARG 61 1HG ARG 61 -15.246 10.810 -6.222 450 2HG ARG 61 2HG ARG 61 -15.784 10.055 -4.721 451 1HD ARG 61 1HD ARG 61 -15.294 11.877 -3.540 452 2HD ARG 61 2HD ARG 61 -13.675 11.965 -4.233 453 HE ARG 61 HE ARG 61 -14.427 13.533 -5.734 454 1HH1 ARG 61 1HH1 ARG 61 -17.145 12.051 -4.133 455 2HH1 ARG 61 2HH1 ARG 61 -18.296 13.185 -4.759 456 1HH2 ARG 61 1HH2 ARG 61 -15.935 15.030 -6.562 457 2HH2 ARG 61 2HH2 ARG 61 -17.608 14.878 -6.138 458 H TRP 62 H TRP 62 -11.544 8.558 -8.148 459 HA TRP 62 HA TRP 62 -11.446 11.094 -9.483 460 1HB TRP 62 1HB TRP 62 -10.033 10.982 -7.123 461 2HB TRP 62 2HB TRP 62 -8.803 10.622 -8.330 462 HD1 TRP 62 HD1 TRP 62 -8.528 12.534 -10.331 463 HE1 TRP 62 HE1 TRP 62 -8.762 15.091 -10.161 464 HE3 TRP 62 HE3 TRP 62 -11.189 12.820 -5.974 465 HZ2 TRP 62 HZ2 TRP 62 -9.921 16.980 -8.413 466 HZ3 TRP 62 HZ3 TRP 62 -11.820 15.040 -5.121 467 HH2 TRP 62 HH2 TRP 62 -11.198 17.076 -6.316 468 H TRP 63 H TRP 63 -10.835 7.796 -9.449 469 HA TRP 63 HA TRP 63 -9.275 8.059 -11.917 470 1HB TRP 63 1HB TRP 63 -8.714 6.164 -9.635 471 2HB TRP 63 2HB TRP 63 -8.001 6.001 -11.238 472 HD1 TRP 63 HD1 TRP 63 -6.909 7.158 -8.063 473 HE1 TRP 63 HE1 TRP 63 -5.167 9.050 -8.248 474 HE3 TRP 63 HE3 TRP 63 -7.708 8.501 -12.900 475 HZ2 TRP 63 HZ2 TRP 63 -4.267 10.891 -10.216 476 HZ3 TRP 63 HZ3 TRP 63 -6.418 10.327 -13.872 477 HH2 TRP 63 HH2 TRP 63 -4.709 11.505 -12.559 478 H CYS 64 H CYS 64 -10.709 5.427 -10.004 479 HA CYS 64 HA CYS 64 -11.729 4.304 -12.499 480 1HB CYS 64 1HB CYS 64 -11.868 2.223 -11.441 481 2HB CYS 64 2HB CYS 64 -10.437 2.949 -10.721 482 H ASN 65 H ASN 65 -13.835 3.407 -12.658 483 HA ASN 65 HA ASN 65 -15.818 5.134 -11.351 484 1HB ASN 65 1HB ASN 65 -15.856 5.153 -13.787 485 2HB ASN 65 2HB ASN 65 -16.027 3.400 -13.821 486 2HD2 ASN 65 2HD2 ASN 65 -18.003 2.550 -13.772 487 1HD2 ASN 65 1HD2 ASN 65 -19.461 3.436 -13.505 488 H ASP 66 H ASP 66 -16.715 4.308 -9.587 489 HA ASP 66 HA ASP 66 -17.093 1.409 -9.388 490 1HB ASP 66 1HB ASP 66 -17.368 1.752 -7.005 491 2HB ASP 66 2HB ASP 66 -15.907 2.575 -7.543 492 H GLY 67 H GLY 67 -18.807 4.224 -10.103 493 1HA GLY 67 1HA GLY 67 -21.298 2.763 -10.174 494 2HA GLY 67 2HA GLY 67 -21.031 4.401 -10.747 495 H ARG 68 H ARG 68 -19.802 4.165 -7.671 496 HA ARG 68 HA ARG 68 -22.352 4.839 -6.385 497 1HB ARG 68 1HB ARG 68 -20.497 3.108 -5.534 498 2HB ARG 68 2HB ARG 68 -19.854 4.568 -4.796 499 1HG ARG 68 1HG ARG 68 -21.800 4.895 -3.507 500 2HG ARG 68 2HG ARG 68 -22.711 3.710 -4.447 501 1HD ARG 68 1HD ARG 68 -21.365 1.914 -3.573 502 2HD ARG 68 2HD ARG 68 -20.309 3.058 -2.745 503 HE ARG 68 HE ARG 68 -22.969 3.411 -1.879 504 1HH1 ARG 68 1HH1 ARG 68 -20.302 1.185 -1.615 505 2HH1 ARG 68 2HH1 ARG 68 -20.778 0.597 -0.056 506 1HH2 ARG 68 1HH2 ARG 68 -23.605 2.643 0.172 507 2HH2 ARG 68 2HH2 ARG 68 -22.657 1.426 0.958 508 H THR 69 H THR 69 -20.207 6.485 -8.038 509 HA THR 69 HA THR 69 -20.625 8.913 -6.498 510 HB THR 69 HB THR 69 -17.821 8.478 -7.437 511 HG1 THR 69 HG1 THR 69 -18.683 7.702 -4.841 512 1HG2 THR 69 1HG2 THR 69 -19.237 10.162 -5.403 513 2HG2 THR 69 2HG2 THR 69 -17.503 9.868 -5.266 514 3HG2 THR 69 3HG2 THR 69 -18.153 10.658 -6.703 515 HA PRO 70 HA PRO 70 -21.327 9.715 -10.941 516 1HB PRO 70 1HB PRO 70 -22.549 12.152 -9.791 517 2HB PRO 70 2HB PRO 70 -23.229 10.978 -10.922 518 1HG PRO 70 1HG PRO 70 -24.038 11.072 -8.376 519 2HG PRO 70 2HG PRO 70 -23.878 9.530 -9.237 520 1HD PRO 70 1HD PRO 70 -22.042 10.780 -7.229 521 2HD PRO 70 2HD PRO 70 -22.523 9.080 -7.412 522 H GLY 71 H GLY 71 -19.852 11.650 -8.448 523 1HA GLY 71 1HA GLY 71 -18.532 13.573 -8.593 524 2HA GLY 71 2HA GLY 71 -18.813 13.608 -10.327 525 H SER 72 H SER 72 -17.994 10.542 -9.915 526 HA SER 72 HA SER 72 -15.216 10.627 -9.378 527 1HB SER 72 1HB SER 72 -17.086 8.601 -10.549 528 2HB SER 72 2HB SER 72 -15.347 8.344 -10.680 529 HG SER 72 HG SER 72 -15.465 8.868 -8.272 530 H ARG 73 H ARG 73 -13.565 11.170 -10.626 531 HA ARG 73 HA ARG 73 -13.875 12.384 -13.131 532 1HB ARG 73 1HB ARG 73 -11.513 11.338 -11.609 533 2HB ARG 73 2HB ARG 73 -11.307 11.900 -13.262 534 1HG ARG 73 1HG ARG 73 -12.788 13.885 -11.946 535 2HG ARG 73 2HG ARG 73 -11.495 13.412 -10.841 536 1HD ARG 73 1HD ARG 73 -10.285 14.894 -12.029 537 2HD ARG 73 2HD ARG 73 -10.127 13.552 -13.163 538 HE ARG 73 HE ARG 73 -11.459 14.688 -14.642 539 1HH1 ARG 73 1HH1 ARG 73 -11.726 16.162 -11.495 540 2HH1 ARG 73 2HH1 ARG 73 -12.632 17.523 -12.068 541 1HH2 ARG 73 1HH2 ARG 73 -12.650 16.476 -15.404 542 2HH2 ARG 73 2HH2 ARG 73 -13.157 17.701 -14.290 543 H ASN 74 H ASN 74 -13.062 9.092 -12.232 544 HA ASN 74 HA ASN 74 -12.859 7.143 -13.409 545 1HB ASN 74 1HB ASN 74 -15.252 7.841 -13.926 546 2HB ASN 74 2HB ASN 74 -14.651 8.484 -15.452 547 2HD2 ASN 74 2HD2 ASN 74 -16.112 6.972 -16.434 548 1HD2 ASN 74 1HD2 ASN 74 -15.636 5.323 -16.634 549 H LEU 75 H LEU 75 -11.051 9.404 -13.930 550 HA LEU 75 HA LEU 75 -10.294 9.743 -16.556 551 1HB LEU 75 1HB LEU 75 -9.007 9.746 -13.888 552 2HB LEU 75 2HB LEU 75 -7.932 9.697 -15.269 553 HG LEU 75 HG LEU 75 -10.025 11.794 -14.630 554 1HD1 LEU 75 1HD1 LEU 75 -7.010 11.920 -14.681 555 2HD1 LEU 75 2HD1 LEU 75 -8.075 13.313 -14.487 556 3HD1 LEU 75 3HD1 LEU 75 -8.056 12.040 -13.266 557 1HD2 LEU 75 1HD2 LEU 75 -9.912 11.439 -17.039 558 2HD2 LEU 75 2HD2 LEU 75 -9.215 13.001 -16.605 559 3HD2 LEU 75 3HD2 LEU 75 -8.160 11.644 -17.004 560 H CYS 76 H CYS 76 -8.472 7.835 -14.355 561 HA CYS 76 HA CYS 76 -6.978 6.233 -15.847 562 1HB CYS 76 1HB CYS 76 -7.797 6.385 -13.256 563 2HB CYS 76 2HB CYS 76 -8.364 4.790 -13.727 564 H ASN 77 H ASN 77 -10.430 5.918 -15.376 565 HA ASN 77 HA ASN 77 -12.019 4.527 -16.238 566 1HB ASN 77 1HB ASN 77 -10.721 5.603 -18.323 567 2HB ASN 77 2HB ASN 77 -10.334 3.911 -18.614 568 2HD2 ASN 77 2HD2 ASN 77 -12.237 6.108 -19.738 569 1HD2 ASN 77 1HD2 ASN 77 -13.702 5.231 -20.003 570 H ILE 78 H ILE 78 -10.776 3.225 -14.386 571 HA ILE 78 HA ILE 78 -10.099 0.619 -15.545 572 HB ILE 78 HB ILE 78 -8.353 0.333 -14.169 573 1HG1 ILE 78 1HG1 ILE 78 -10.212 1.404 -12.145 574 2HG1 ILE 78 2HG1 ILE 78 -9.082 0.063 -12.034 575 1HG2 ILE 78 1HG2 ILE 78 -8.134 2.588 -15.256 576 2HG2 ILE 78 2HG2 ILE 78 -8.591 3.290 -13.705 577 3HG2 ILE 78 3HG2 ILE 78 -7.122 2.322 -13.836 578 1HD1 ILE 78 1HD1 ILE 78 -7.253 1.711 -11.724 579 2HD1 ILE 78 2HD1 ILE 78 -8.470 2.987 -11.689 580 3HD1 ILE 78 3HD1 ILE 78 -8.468 1.737 -10.445 581 HA PRO 79 HA PRO 79 -13.421 -1.075 -13.149 582 1HB PRO 79 1HB PRO 79 -12.630 -3.638 -12.876 583 2HB PRO 79 2HB PRO 79 -13.138 -2.984 -14.437 584 1HG PRO 79 1HG PRO 79 -10.378 -3.447 -13.385 585 2HG PRO 79 2HG PRO 79 -11.023 -3.749 -15.008 586 1HD PRO 79 1HD PRO 79 -9.533 -1.547 -14.342 587 2HD PRO 79 2HD PRO 79 -10.719 -1.575 -15.662 588 H CYS 80 H CYS 80 -13.650 -0.471 -11.075 589 HA CYS 80 HA CYS 80 -11.574 -0.365 -9.209 590 1HB CYS 80 1HB CYS 80 -14.511 -0.466 -8.545 591 2HB CYS 80 2HB CYS 80 -13.224 0.299 -7.618 592 H SER 81 H SER 81 -14.411 -2.542 -9.096 593 HA SER 81 HA SER 81 -13.422 -4.137 -7.012 594 1HB SER 81 1HB SER 81 -15.086 -5.866 -8.027 595 2HB SER 81 2HB SER 81 -15.716 -4.352 -7.380 596 HG SER 81 HG SER 81 -16.225 -5.237 -9.701 597 H ALA 82 H ALA 82 -12.623 -4.132 -10.380 598 HA ALA 82 HA ALA 82 -11.515 -6.821 -10.290 599 1HB ALA 82 1HB ALA 82 -12.490 -5.180 -12.334 600 2HB ALA 82 2HB ALA 82 -11.772 -6.782 -12.495 601 3HB ALA 82 3HB ALA 82 -10.760 -5.344 -12.637 602 H LEU 83 H LEU 83 -10.533 -3.630 -9.686 603 HA LEU 83 HA LEU 83 -7.705 -4.162 -10.137 604 1HB LEU 83 1HB LEU 83 -7.385 -1.926 -10.101 605 2HB LEU 83 2HB LEU 83 -9.107 -1.892 -10.414 606 HG LEU 83 HG LEU 83 -9.154 -1.869 -7.723 607 1HD1 LEU 83 1HD1 LEU 83 -6.561 -1.814 -7.887 608 2HD1 LEU 83 2HD1 LEU 83 -6.804 -0.112 -8.279 609 3HD1 LEU 83 3HD1 LEU 83 -7.387 -0.755 -6.743 610 1HD2 LEU 83 1HD2 LEU 83 -9.786 -0.148 -9.752 611 2HD2 LEU 83 2HD2 LEU 83 -10.083 0.141 -8.037 612 3HD2 LEU 83 3HD2 LEU 83 -8.634 0.794 -8.803 613 H LEU 84 H LEU 84 -9.919 -4.793 -7.800 614 HA LEU 84 HA LEU 84 -8.018 -4.524 -5.585 615 1HB LEU 84 1HB LEU 84 -10.957 -5.188 -5.479 616 2HB LEU 84 2HB LEU 84 -9.924 -4.788 -4.121 617 HG LEU 84 HG LEU 84 -10.870 -2.963 -6.312 618 1HD1 LEU 84 1HD1 LEU 84 -12.372 -3.388 -4.390 619 2HD1 LEU 84 2HD1 LEU 84 -11.120 -2.760 -3.319 620 3HD1 LEU 84 3HD1 LEU 84 -11.860 -1.706 -4.524 621 1HD2 LEU 84 1HD2 LEU 84 -8.370 -2.866 -4.978 622 2HD2 LEU 84 2HD2 LEU 84 -9.071 -1.685 -6.084 623 3HD2 LEU 84 3HD2 LEU 84 -9.369 -1.556 -4.351 624 H SER 85 H SER 85 -8.744 -6.698 -7.848 625 HA SER 85 HA SER 85 -9.125 -9.113 -6.407 626 1HB SER 85 1HB SER 85 -9.385 -8.557 -8.972 627 2HB SER 85 2HB SER 85 -7.698 -9.068 -9.035 628 HG SER 85 HG SER 85 -8.264 -11.075 -8.527 629 H SER 86 H SER 86 -7.275 -10.859 -7.179 630 HA SER 86 HA SER 86 -5.064 -10.241 -5.430 631 1HB SER 86 1HB SER 86 -4.411 -12.550 -5.726 632 2HB SER 86 2HB SER 86 -6.160 -12.498 -5.508 633 HG SER 86 HG SER 86 -5.888 -12.304 -8.046 634 H ASP 87 H ASP 87 -5.402 -8.779 -7.961 635 HA ASP 87 HA ASP 87 -2.750 -9.306 -9.107 636 1HB ASP 87 1HB ASP 87 -4.438 -10.146 -10.652 637 2HB ASP 87 2HB ASP 87 -5.279 -8.601 -10.602 638 H ILE 88 H ILE 88 -1.459 -7.592 -8.892 639 HA ILE 88 HA ILE 88 -2.562 -5.033 -8.132 640 HB ILE 88 HB ILE 88 0.025 -4.447 -8.368 641 1HG1 ILE 88 1HG1 ILE 88 0.329 -7.276 -7.499 642 2HG1 ILE 88 2HG1 ILE 88 0.208 -6.968 -9.229 643 1HG2 ILE 88 1HG2 ILE 88 -1.725 -5.057 -6.307 644 2HG2 ILE 88 2HG2 ILE 88 -0.298 -6.040 -5.982 645 3HG2 ILE 88 3HG2 ILE 88 -0.143 -4.292 -6.162 646 1HD1 ILE 88 1HD1 ILE 88 2.061 -5.160 -7.953 647 2HD1 ILE 88 2HD1 ILE 88 2.489 -6.848 -7.678 648 3HD1 ILE 88 3HD1 ILE 88 2.298 -6.243 -9.323 649 H THR 89 H THR 89 -1.996 -6.498 -11.073 650 HA THR 89 HA THR 89 -0.738 -4.640 -12.655 651 HB THR 89 HB THR 89 -3.160 -6.292 -13.404 652 HG1 THR 89 HG1 THR 89 -0.432 -6.869 -13.940 653 1HG2 THR 89 1HG2 THR 89 -2.674 -4.428 -14.979 654 2HG2 THR 89 2HG2 THR 89 -1.050 -5.081 -15.195 655 3HG2 THR 89 3HG2 THR 89 -2.453 -6.023 -15.699 656 H ALA 90 H ALA 90 -4.214 -4.729 -11.862 657 HA ALA 90 HA ALA 90 -4.880 -2.446 -13.290 658 1HB ALA 90 1HB ALA 90 -6.564 -4.029 -12.715 659 2HB ALA 90 2HB ALA 90 -6.972 -2.486 -11.964 660 3HB ALA 90 3HB ALA 90 -6.271 -3.782 -10.994 661 H SER 91 H SER 91 -4.265 -2.857 -9.793 662 HA SER 91 HA SER 91 -4.680 -0.161 -9.095 663 1HB SER 91 1HB SER 91 -2.693 -1.766 -7.564 664 2HB SER 91 2HB SER 91 -4.016 -0.759 -6.978 665 HG SER 91 HG SER 91 -5.244 -2.624 -8.212 666 H VAL 92 H VAL 92 -1.897 -1.836 -10.340 667 HA VAL 92 HA VAL 92 -0.142 0.375 -9.786 668 HB VAL 92 HB VAL 92 0.332 -2.097 -11.450 669 1HG1 VAL 92 1HG1 VAL 92 2.179 0.216 -10.838 670 2HG1 VAL 92 2HG1 VAL 92 2.726 -1.340 -11.463 671 3HG1 VAL 92 3HG1 VAL 92 1.645 -0.334 -12.425 672 1HG2 VAL 92 1HG2 VAL 92 1.276 -1.217 -8.725 673 2HG2 VAL 92 2HG2 VAL 92 0.258 -2.603 -9.114 674 3HG2 VAL 92 3HG2 VAL 92 1.954 -2.590 -9.601 675 H ASN 93 H ASN 93 -1.610 -0.975 -12.745 676 HA ASN 93 HA ASN 93 -0.532 0.692 -14.558 677 1HB ASN 93 1HB ASN 93 -1.875 -0.499 -15.844 678 2HB ASN 93 2HB ASN 93 -2.725 -1.047 -14.422 679 2HD2 ASN 93 2HD2 ASN 93 -2.696 1.223 -17.034 680 1HD2 ASN 93 1HD2 ASN 93 -4.320 1.779 -16.845 681 H CYS 94 H CYS 94 -3.250 1.264 -12.438 682 HA CYS 94 HA CYS 94 -3.937 3.811 -13.426 683 1HB CYS 94 1HB CYS 94 -5.166 2.184 -11.730 684 2HB CYS 94 2HB CYS 94 -4.330 3.176 -10.538 685 H ALA 95 H ALA 95 -1.905 2.804 -10.665 686 HA ALA 95 HA ALA 95 -1.174 5.471 -10.001 687 1HB ALA 95 1HB ALA 95 -0.516 4.400 -8.200 688 2HB ALA 95 2HB ALA 95 0.905 3.885 -9.108 689 3HB ALA 95 3HB ALA 95 -0.520 2.846 -9.038 690 H LYS 96 H LYS 96 0.055 3.129 -12.259 691 HA LYS 96 HA LYS 96 2.584 4.105 -12.781 692 1HB LYS 96 1HB LYS 96 0.496 2.766 -14.472 693 2HB LYS 96 2HB LYS 96 1.942 3.402 -15.244 694 1HG LYS 96 1HG LYS 96 3.346 1.983 -13.914 695 2HG LYS 96 2HG LYS 96 1.962 1.436 -12.966 696 1HD LYS 96 1HD LYS 96 1.415 -0.102 -14.488 697 2HD LYS 96 2HD LYS 96 1.547 1.058 -15.811 698 1HE LYS 96 1HE LYS 96 4.160 0.438 -14.827 699 2HE LYS 96 2HE LYS 96 3.296 -1.061 -15.167 700 1HZ LYS 96 1HZ LYS 96 2.831 0.742 -17.265 701 2HZ LYS 96 2HZ LYS 96 4.498 0.682 -16.984 702 3HZ LYS 96 3HZ LYS 96 3.644 -0.741 -17.315 703 H LYS 97 H LYS 97 -0.580 5.061 -13.775 704 HA LYS 97 HA LYS 97 0.249 7.295 -15.412 705 1HB LYS 97 1HB LYS 97 -1.940 5.870 -15.585 706 2HB LYS 97 2HB LYS 97 -2.535 6.966 -14.345 707 1HG LYS 97 1HG LYS 97 -3.201 8.211 -16.076 708 2HG LYS 97 2HG LYS 97 -1.512 8.718 -16.146 709 1HD LYS 97 1HD LYS 97 -1.264 6.563 -17.632 710 2HD LYS 97 2HD LYS 97 -2.996 6.797 -17.878 711 1HE LYS 97 1HE LYS 97 -1.993 9.325 -18.233 712 2HE LYS 97 2HE LYS 97 -0.726 8.310 -18.924 713 1HZ LYS 97 1HZ LYS 97 -2.658 7.168 -20.134 714 2HZ LYS 97 2HZ LYS 97 -3.550 8.552 -19.744 715 3HZ LYS 97 3HZ LYS 97 -2.153 8.683 -20.690 716 H ILE 98 H ILE 98 -0.772 6.714 -12.120 717 HA ILE 98 HA ILE 98 -1.290 9.354 -11.348 718 HB ILE 98 HB ILE 98 -0.353 7.006 -9.728 719 1HG1 ILE 98 1HG1 ILE 98 -3.046 8.388 -9.885 720 2HG1 ILE 98 2HG1 ILE 98 -2.635 6.916 -10.758 721 1HG2 ILE 98 1HG2 ILE 98 -0.481 9.808 -9.009 722 2HG2 ILE 98 2HG2 ILE 98 -1.530 8.820 -7.993 723 3HG2 ILE 98 3HG2 ILE 98 0.189 8.444 -8.116 724 1HD1 ILE 98 1HD1 ILE 98 -2.413 7.063 -7.776 725 2HD1 ILE 98 2HD1 ILE 98 -3.945 6.709 -8.574 726 3HD1 ILE 98 3HD1 ILE 98 -2.561 5.644 -8.813 727 H VAL 99 H VAL 99 1.621 7.402 -11.076 728 HA VAL 99 HA VAL 99 3.279 9.475 -10.076 729 HB VAL 99 HB VAL 99 3.719 7.039 -9.751 730 1HG1 VAL 99 1HG1 VAL 99 3.610 7.045 -12.596 731 2HG1 VAL 99 2HG1 VAL 99 5.212 6.504 -12.091 732 3HG1 VAL 99 3HG1 VAL 99 3.773 5.675 -11.498 733 1HG2 VAL 99 1HG2 VAL 99 5.656 9.076 -10.548 734 2HG2 VAL 99 2HG2 VAL 99 5.642 8.010 -9.143 735 3HG2 VAL 99 3HG2 VAL 99 6.261 7.425 -10.688 736 H SER 100 H SER 100 2.261 8.529 -13.254 737 HA SER 100 HA SER 100 4.440 9.925 -14.573 738 1HB SER 100 1HB SER 100 3.619 9.056 -16.576 739 2HB SER 100 2HB SER 100 3.155 7.806 -15.421 740 HG SER 100 HG SER 100 1.583 9.563 -16.863 741 H ASP 101 H ASP 101 1.531 10.713 -13.126 742 HA ASP 101 HA ASP 101 0.795 12.874 -14.891 743 1HB ASP 101 1HB ASP 101 -0.625 11.376 -13.134 744 2HB ASP 101 2HB ASP 101 -0.326 12.811 -12.158 745 H GLY 102 H GLY 102 3.200 12.499 -12.628 746 1HA GLY 102 1HA GLY 102 3.149 15.376 -11.958 747 2HA GLY 102 2HA GLY 102 4.610 14.574 -12.509 748 H ASN 103 H ASN 103 2.163 13.512 -10.155 749 HA ASN 103 HA ASN 103 4.055 13.876 -7.976 750 1HB ASN 103 1HB ASN 103 1.166 12.993 -8.041 751 2HB ASN 103 2HB ASN 103 2.122 13.085 -6.564 752 2HD2 ASN 103 2HD2 ASN 103 3.338 15.287 -6.420 753 1HD2 ASN 103 1HD2 ASN 103 2.344 16.675 -6.685 754 H GLY 104 H GLY 104 5.501 12.341 -7.564 755 1HA GLY 104 1HA GLY 104 6.522 10.263 -7.662 756 2HA GLY 104 2HA GLY 104 5.097 9.630 -8.467 757 H MET 105 H MET 105 6.905 9.182 -5.852 758 HA MET 105 HA MET 105 4.894 7.721 -4.445 759 1HB MET 105 1HB MET 105 7.517 8.341 -3.174 760 2HB MET 105 2HB MET 105 6.625 6.828 -3.217 761 1HG MET 105 1HG MET 105 8.210 8.028 -5.474 762 2HG MET 105 2HG MET 105 8.679 6.652 -4.477 763 1HE MET 105 1HE MET 105 6.792 4.562 -4.227 764 2HE MET 105 2HE MET 105 5.420 5.665 -4.321 765 3HE MET 105 3HE MET 105 5.533 4.300 -5.433 766 H ASN 106 H ASN 106 5.867 10.903 -4.528 767 HA ASN 106 HA ASN 106 5.532 11.616 -1.798 768 1HB ASN 106 1HB ASN 106 5.983 12.985 -4.388 769 2HB ASN 106 2HB ASN 106 5.254 13.935 -3.111 770 2HD2 ASN 106 2HD2 ASN 106 8.071 12.207 -4.141 771 1HD2 ASN 106 1HD2 ASN 106 9.150 12.840 -2.949 772 H ALA 107 H ALA 107 3.429 11.319 -4.575 773 HA ALA 107 HA ALA 107 1.289 12.910 -3.847 774 1HB ALA 107 1HB ALA 107 1.745 10.684 -5.635 775 2HB ALA 107 2HB ALA 107 0.124 10.635 -4.939 776 3HB ALA 107 3HB ALA 107 0.666 12.068 -5.812 777 H TRP 108 H TRP 108 1.934 9.543 -2.949 778 HA TRP 108 HA TRP 108 -0.365 9.413 -1.235 779 1HB TRP 108 1HB TRP 108 1.941 7.481 -1.554 780 2HB TRP 108 2HB TRP 108 0.425 7.149 -0.717 781 HD1 TRP 108 HD1 TRP 108 -1.813 6.997 -2.277 782 HE1 TRP 108 HE1 TRP 108 -2.087 6.329 -4.747 783 HE3 TRP 108 HE3 TRP 108 3.032 7.538 -3.808 784 HZ2 TRP 108 HZ2 TRP 108 -0.462 6.060 -7.051 785 HZ3 TRP 108 HZ3 TRP 108 3.590 7.061 -6.153 786 HH2 TRP 108 HH2 TRP 108 1.881 6.335 -7.739 787 H VAL 109 H VAL 109 -0.468 9.602 0.907 788 HA VAL 109 HA VAL 109 1.595 11.040 2.252 789 HB VAL 109 HB VAL 109 -0.638 9.941 3.745 790 1HG1 VAL 109 1HG1 VAL 109 0.915 12.477 3.669 791 2HG1 VAL 109 2HG1 VAL 109 -0.675 12.449 4.434 792 3HG1 VAL 109 3HG1 VAL 109 0.609 11.394 5.027 793 1HG2 VAL 109 1HG2 VAL 109 -1.629 10.496 1.552 794 2HG2 VAL 109 2HG2 VAL 109 -2.249 11.505 2.858 795 3HG2 VAL 109 3HG2 VAL 109 -1.042 12.148 1.744 796 H ALA 110 H ALA 110 0.850 7.694 2.065 797 HA ALA 110 HA ALA 110 1.873 7.005 4.651 798 1HB ALA 110 1HB ALA 110 1.696 5.131 2.307 799 2HB ALA 110 2HB ALA 110 1.580 4.757 4.027 800 3HB ALA 110 3HB ALA 110 0.270 5.621 3.223 801 H TRP 111 H TRP 111 3.195 7.449 1.474 802 HA TRP 111 HA TRP 111 5.752 6.300 2.190 803 1HB TRP 111 1HB TRP 111 5.025 6.126 -0.131 804 2HB TRP 111 2HB TRP 111 4.918 7.874 -0.258 805 HD1 TRP 111 HD1 TRP 111 7.407 5.017 -0.353 806 HE1 TRP 111 HE1 TRP 111 9.701 5.919 -1.092 807 HE3 TRP 111 HE3 TRP 111 6.410 10.029 -0.166 808 HZ2 TRP 111 HZ2 TRP 111 10.927 8.421 -1.538 809 HZ3 TRP 111 HZ3 TRP 111 8.199 11.609 -0.763 810 HH2 TRP 111 HH2 TRP 111 10.409 10.820 -1.434 811 H ARG 112 H ARG 112 4.225 9.468 2.015 812 HA ARG 112 HA ARG 112 6.723 10.801 2.703 813 1HB ARG 112 1HB ARG 112 4.102 11.588 1.646 814 2HB ARG 112 2HB ARG 112 4.791 12.710 2.810 815 1HG ARG 112 1HG ARG 112 6.436 11.722 0.521 816 2HG ARG 112 2HG ARG 112 5.276 13.031 0.289 817 1HD ARG 112 1HD ARG 112 6.722 13.619 2.637 818 2HD ARG 112 2HD ARG 112 7.900 13.122 1.423 819 HE ARG 112 HE ARG 112 6.294 14.883 0.108 820 1HH1 ARG 112 1HH1 ARG 112 8.157 15.007 3.050 821 2HH1 ARG 112 2HH1 ARG 112 8.466 16.707 2.935 822 1HH2 ARG 112 1HH2 ARG 112 6.697 17.122 -0.052 823 2HH2 ARG 112 2HH2 ARG 112 7.635 17.909 1.172 824 H ASN 113 H ASN 113 6.023 9.055 4.639 825 HA ASN 113 HA ASN 113 5.535 10.823 6.876 826 1HB ASN 113 1HB ASN 113 3.277 9.893 6.092 827 2HB ASN 113 2HB ASN 113 3.848 8.334 6.681 828 2HD2 ASN 113 2HD2 ASN 113 4.193 8.050 8.898 829 1HD2 ASN 113 1HD2 ASN 113 3.473 9.099 10.068 830 H ARG 114 H ARG 114 5.662 7.353 6.124 831 HA ARG 114 HA ARG 114 7.697 7.063 8.232 832 1HB ARG 114 1HB ARG 114 5.400 5.391 7.393 833 2HB ARG 114 2HB ARG 114 6.852 4.550 7.903 834 1HG ARG 114 1HG ARG 114 5.520 6.671 9.561 835 2HG ARG 114 2HG ARG 114 5.128 4.956 9.687 836 1HD ARG 114 1HD ARG 114 7.888 6.111 10.054 837 2HD ARG 114 2HD ARG 114 6.779 5.741 11.374 838 HE ARG 114 HE ARG 114 7.304 3.521 9.616 839 1HH1 ARG 114 1HH1 ARG 114 8.343 5.252 12.456 840 2HH1 ARG 114 2HH1 ARG 114 9.183 3.897 13.131 841 1HH2 ARG 114 1HH2 ARG 114 8.406 1.732 10.498 842 2HH2 ARG 114 2HH2 ARG 114 9.219 1.895 12.019 843 H CYS 115 H CYS 115 7.598 7.363 5.031 844 HA CYS 115 HA CYS 115 9.605 5.258 4.569 845 1HB CYS 115 1HB CYS 115 7.595 6.525 2.733 846 2HB CYS 115 2HB CYS 115 9.024 5.717 2.095 847 H LYS 116 H LYS 116 8.786 8.597 3.596 848 HA LYS 116 HA LYS 116 11.233 9.177 2.375 849 1HB LYS 116 1HB LYS 116 9.080 10.513 2.255 850 2HB LYS 116 2HB LYS 116 9.504 11.178 3.826 851 1HG LYS 116 1HG LYS 116 11.737 11.429 2.063 852 2HG LYS 116 2HG LYS 116 10.294 12.083 1.287 853 1HD LYS 116 1HD LYS 116 9.925 13.618 3.037 854 2HD LYS 116 2HD LYS 116 11.059 12.789 4.107 855 1HE LYS 116 1HE LYS 116 12.141 13.802 1.549 856 2HE LYS 116 2HE LYS 116 11.677 15.014 2.743 857 1HZ LYS 116 1HZ LYS 116 13.076 13.115 4.149 858 2HZ LYS 116 2HZ LYS 116 13.947 13.299 2.710 859 3HZ LYS 116 3HZ LYS 116 13.635 14.644 3.686 860 H GLY 117 H GLY 117 12.981 8.489 3.589 861 1HA GLY 117 1HA GLY 117 13.356 9.824 6.192 862 2HA GLY 117 2HA GLY 117 14.616 9.863 4.970 863 H THR 118 H THR 118 13.357 6.918 4.508 864 HA THR 118 HA THR 118 15.058 5.674 6.567 865 HB THR 118 HB THR 118 13.649 3.642 6.294 866 HG1 THR 118 HG1 THR 118 12.827 4.215 4.182 867 1HG2 THR 118 1HG2 THR 118 13.215 5.687 7.918 868 2HG2 THR 118 2HG2 THR 118 11.737 5.822 6.967 869 3HG2 THR 118 3HG2 THR 118 12.095 4.328 7.833 870 H ASP 119 H ASP 119 14.704 3.058 5.192 871 HA ASP 119 HA ASP 119 16.370 3.514 2.827 872 1HB ASP 119 1HB ASP 119 17.496 2.686 5.018 873 2HB ASP 119 2HB ASP 119 16.864 1.151 4.469 874 H VAL 120 H VAL 120 14.831 3.097 1.323 875 HA VAL 120 HA VAL 120 13.010 0.928 1.463 876 HB VAL 120 HB VAL 120 12.583 1.444 -0.950 877 1HG1 VAL 120 1HG1 VAL 120 11.922 2.893 1.328 878 2HG1 VAL 120 2HG1 VAL 120 12.383 4.113 0.142 879 3HG1 VAL 120 3HG1 VAL 120 11.110 2.952 -0.236 880 1HG2 VAL 120 1HG2 VAL 120 14.714 3.524 -0.470 881 2HG2 VAL 120 2HG2 VAL 120 14.759 2.200 -1.635 882 3HG2 VAL 120 3HG2 VAL 120 13.613 3.524 -1.848 883 H GLN 121 H GLN 121 16.158 1.427 -0.027 884 HA GLN 121 HA GLN 121 16.241 -0.864 -1.639 885 1HB GLN 121 1HB GLN 121 18.295 0.898 -0.371 886 2HB GLN 121 2HB GLN 121 18.819 -0.638 -1.046 887 1HG GLN 121 1HG GLN 121 18.678 0.110 -3.133 888 2HG GLN 121 2HG GLN 121 17.093 0.833 -2.856 889 2HE2 GLN 121 2HE2 GLN 121 20.428 1.385 -1.756 890 1HE2 GLN 121 1HE2 GLN 121 20.419 3.089 -2.039 891 H ALA 122 H ALA 122 16.409 -0.420 1.752 892 HA ALA 122 HA ALA 122 17.527 -3.057 2.263 893 1HB ALA 122 1HB ALA 122 16.903 -0.665 3.918 894 2HB ALA 122 2HB ALA 122 16.934 -2.242 4.706 895 3HB ALA 122 3HB ALA 122 18.364 -1.651 3.859 896 H TRP 123 H TRP 123 14.464 -1.477 1.998 897 HA TRP 123 HA TRP 123 12.894 -3.145 3.628 898 1HB TRP 123 1HB TRP 123 12.372 -1.322 1.339 899 2HB TRP 123 2HB TRP 123 11.116 -2.488 1.740 900 HD1 TRP 123 HD1 TRP 123 11.669 0.923 2.334 901 HE1 TRP 123 HE1 TRP 123 10.755 1.731 4.600 902 HE3 TRP 123 HE3 TRP 123 11.124 -3.570 4.677 903 HZ2 TRP 123 HZ2 TRP 123 9.926 0.577 7.029 904 HZ3 TRP 123 HZ3 TRP 123 10.267 -3.641 6.963 905 HH2 TRP 123 HH2 TRP 123 9.674 -1.585 8.127 906 H ILE 124 H ILE 124 14.540 -3.835 0.741 907 HA ILE 124 HA ILE 124 13.017 -6.342 0.450 908 HB ILE 124 HB ILE 124 13.722 -6.281 -1.984 909 1HG1 ILE 124 1HG1 ILE 124 13.830 -3.316 -1.798 910 2HG1 ILE 124 2HG1 ILE 124 15.272 -4.197 -1.306 911 1HG2 ILE 124 1HG2 ILE 124 11.678 -4.480 -0.760 912 2HG2 ILE 124 2HG2 ILE 124 11.891 -4.517 -2.510 913 3HG2 ILE 124 3HG2 ILE 124 11.458 -5.991 -1.643 914 1HD1 ILE 124 1HD1 ILE 124 14.216 -5.167 -3.818 915 2HD1 ILE 124 2HD1 ILE 124 14.595 -3.446 -3.868 916 3HD1 ILE 124 3HD1 ILE 124 15.838 -4.610 -3.409 917 H ARG 125 H ARG 125 15.641 -5.341 1.749 918 HA ARG 125 HA ARG 125 17.758 -6.691 0.418 919 1HB ARG 125 1HB ARG 125 17.583 -4.902 2.507 920 2HB ARG 125 2HB ARG 125 18.075 -6.387 3.312 921 1HG ARG 125 1HG ARG 125 19.791 -6.415 1.258 922 2HG ARG 125 2HG ARG 125 19.551 -4.674 1.420 923 1HD ARG 125 1HD ARG 125 21.270 -4.951 2.891 924 2HD ARG 125 2HD ARG 125 19.912 -5.228 3.980 925 HE ARG 125 HE ARG 125 21.439 -7.413 2.716 926 1HH1 ARG 125 1HH1 ARG 125 19.796 -5.997 5.443 927 2HH1 ARG 125 2HH1 ARG 125 20.068 -7.359 6.477 928 1HH2 ARG 125 1HH2 ARG 125 21.803 -9.209 4.071 929 2HH2 ARG 125 2HH2 ARG 125 21.210 -9.184 5.698 930 H GLY 126 H GLY 126 17.062 -8.796 -0.022 931 1HA GLY 126 1HA GLY 126 16.641 -10.519 2.336 932 2HA GLY 126 2HA GLY 126 17.809 -10.959 1.099 933 H CYS 127 H CYS 127 15.161 -9.404 -0.259 934 HA CYS 127 HA CYS 127 13.388 -11.614 -0.443 935 1HB CYS 127 1HB CYS 127 13.499 -8.903 -1.491 936 2HB CYS 127 2HB CYS 127 12.525 -10.034 -2.409 937 H ARG 128 H ARG 128 12.573 -12.020 -2.886 938 HA ARG 128 HA ARG 128 14.917 -12.590 -4.557 939 1HB ARG 128 1HB ARG 128 12.804 -14.559 -3.692 940 2HB ARG 128 2HB ARG 128 13.831 -14.829 -5.093 941 1HG ARG 128 1HG ARG 128 15.812 -14.650 -3.618 942 2HG ARG 128 2HG ARG 128 14.724 -14.522 -2.235 943 1HD ARG 128 1HD ARG 128 14.294 -16.802 -4.071 944 2HD ARG 128 2HD ARG 128 15.751 -16.846 -3.078 945 HE ARG 128 HE ARG 128 13.514 -16.207 -1.479 946 1HH1 ARG 128 1HH1 ARG 128 14.963 -18.877 -3.187 947 2HH1 ARG 128 2HH1 ARG 128 14.295 -20.080 -2.134 948 1HH2 ARG 128 1HH2 ARG 128 12.631 -17.784 -0.089 949 2HH2 ARG 128 2HH2 ARG 128 12.969 -19.458 -0.374 950 H LEU 129 H LEU 129 14.414 -11.095 -6.100 951 HA LEU 129 HA LEU 129 11.934 -11.585 -7.604 952 1HB LEU 129 1HB LEU 129 11.980 -9.087 -8.114 953 2HB LEU 129 2HB LEU 129 11.443 -9.575 -6.518 954 HG LEU 129 HG LEU 129 14.167 -9.175 -6.189 955 1HD1 LEU 129 1HD1 LEU 129 13.882 -8.061 -8.538 956 2HD1 LEU 129 2HD1 LEU 129 13.200 -6.734 -7.599 957 3HD1 LEU 129 3HD1 LEU 129 14.848 -7.279 -7.288 958 1HD2 LEU 129 1HD2 LEU 129 11.927 -8.453 -4.932 959 2HD2 LEU 129 2HD2 LEU 129 13.490 -7.708 -4.597 960 3HD2 LEU 129 3HD2 LEU 129 12.341 -6.904 -5.667 No H/Q in entry = 960 Start of MODEL 47 1 H1 LYS 1 H1 LYS 1 -7.317 -9.870 1.345 2 H2 LYS 1 H2 LYS 1 -7.788 -11.418 1.842 3 H3 LYS 1 H3 LYS 1 -6.656 -10.546 2.748 4 HA LYS 1 HA LYS 1 -5.406 -12.111 1.568 5 1HB LYS 1 1HB LYS 1 -5.721 -12.049 -1.034 6 2HB LYS 1 2HB LYS 1 -6.831 -12.977 -0.036 7 1HG LYS 1 1HG LYS 1 -8.567 -11.768 -0.705 8 2HG LYS 1 2HG LYS 1 -7.735 -10.253 -0.347 9 1HD LYS 1 1HD LYS 1 -7.537 -9.889 -2.531 10 2HD LYS 1 2HD LYS 1 -6.508 -11.318 -2.647 11 1HE LYS 1 1HE LYS 1 -9.520 -11.356 -2.794 12 2HE LYS 1 2HE LYS 1 -8.451 -11.354 -4.196 13 1HZ LYS 1 1HZ LYS 1 -7.766 -13.398 -2.322 14 2HZ LYS 1 2HZ LYS 1 -9.360 -13.556 -2.863 15 3HZ LYS 1 3HZ LYS 1 -8.089 -13.521 -3.977 16 H VAL 2 H VAL 2 -3.752 -10.739 2.196 17 HA VAL 2 HA VAL 2 -3.168 -8.400 0.544 18 HB VAL 2 HB VAL 2 -1.980 -9.384 3.140 19 1HG1 VAL 2 1HG1 VAL 2 -0.514 -8.057 1.292 20 2HG1 VAL 2 2HG1 VAL 2 -1.235 -6.709 2.169 21 3HG1 VAL 2 3HG1 VAL 2 -0.276 -7.908 3.032 22 1HG2 VAL 2 1HG2 VAL 2 -4.214 -7.793 2.562 23 2HG2 VAL 2 2HG2 VAL 2 -3.460 -8.060 4.133 24 3HG2 VAL 2 3HG2 VAL 2 -2.965 -6.690 3.140 25 H PHE 3 H PHE 3 -1.227 -8.135 -0.590 26 HA PHE 3 HA PHE 3 -0.078 -10.435 -1.748 27 1HB PHE 3 1HB PHE 3 0.517 -7.500 -1.786 28 2HB PHE 3 2HB PHE 3 1.716 -8.620 -2.412 29 HD1 PHE 3 HD1 PHE 3 1.270 -9.920 -4.417 30 HD2 PHE 3 HD2 PHE 3 -1.518 -7.071 -2.938 31 HE1 PHE 3 HE1 PHE 3 0.121 -9.923 -6.588 32 HE2 PHE 3 HE2 PHE 3 -2.672 -7.063 -5.104 33 HZ PHE 3 HZ PHE 3 -1.855 -8.495 -6.938 34 H GLY 4 H GLY 4 2.248 -10.899 -1.705 35 1HA GLY 4 1HA GLY 4 3.904 -11.853 -0.343 36 2HA GLY 4 2HA GLY 4 3.227 -10.991 1.035 37 H ARG 5 H ARG 5 5.494 -10.434 1.515 38 HA ARG 5 HA ARG 5 6.107 -7.821 0.784 39 1HB ARG 5 1HB ARG 5 7.371 -9.930 2.340 40 2HB ARG 5 2HB ARG 5 8.555 -8.940 1.498 41 1HG ARG 5 1HG ARG 5 6.990 -7.009 2.509 42 2HG ARG 5 2HG ARG 5 6.758 -8.262 3.731 43 1HD ARG 5 1HD ARG 5 9.540 -7.842 2.874 44 2HD ARG 5 2HD ARG 5 8.804 -6.483 3.724 45 HE ARG 5 HE ARG 5 9.382 -9.125 4.810 46 1HH1 ARG 5 1HH1 ARG 5 7.935 -5.985 5.249 47 2HH1 ARG 5 2HH1 ARG 5 7.870 -6.114 6.975 48 1HH2 ARG 5 1HH2 ARG 5 9.299 -9.303 7.082 49 2HH2 ARG 5 2HH2 ARG 5 8.645 -8.000 8.016 50 H CYS 6 H CYS 6 7.980 -10.705 -0.198 51 HA CYS 6 HA CYS 6 9.147 -9.182 -2.345 52 1HB CYS 6 1HB CYS 6 9.423 -12.150 -2.135 53 2HB CYS 6 2HB CYS 6 10.572 -10.944 -2.705 54 H GLU 7 H GLU 7 6.690 -11.680 -1.984 55 HA GLU 7 HA GLU 7 6.303 -12.472 -4.588 56 1HB GLU 7 1HB GLU 7 4.960 -13.048 -2.412 57 2HB GLU 7 2HB GLU 7 3.920 -11.724 -2.918 58 1HG GLU 7 1HG GLU 7 4.004 -13.077 -5.211 59 2HG GLU 7 2HG GLU 7 4.285 -14.410 -4.092 60 H LEU 8 H LEU 8 4.979 -9.630 -2.971 61 HA LEU 8 HA LEU 8 3.730 -8.490 -5.215 62 1HB LEU 8 1HB LEU 8 3.190 -7.818 -2.938 63 2HB LEU 8 2HB LEU 8 4.816 -7.222 -2.697 64 HG LEU 8 HG LEU 8 2.841 -5.572 -3.176 65 1HD1 LEU 8 1HD1 LEU 8 5.165 -4.923 -2.860 66 2HD1 LEU 8 2HD1 LEU 8 5.512 -5.313 -4.544 67 3HD1 LEU 8 3HD1 LEU 8 4.413 -3.991 -4.153 68 1HD2 LEU 8 1HD2 LEU 8 2.446 -6.931 -5.396 69 2HD2 LEU 8 2HD2 LEU 8 2.215 -5.183 -5.338 70 3HD2 LEU 8 3HD2 LEU 8 3.702 -5.855 -6.009 71 H ALA 9 H ALA 9 6.991 -8.064 -3.801 72 HA ALA 9 HA ALA 9 7.826 -5.983 -5.483 73 1HB ALA 9 1HB ALA 9 9.192 -7.982 -3.795 74 2HB ALA 9 2HB ALA 9 9.315 -6.222 -3.809 75 3HB ALA 9 3HB ALA 9 10.159 -7.174 -5.030 76 H ALA 10 H ALA 10 8.378 -9.497 -5.876 77 HA ALA 10 HA ALA 10 9.746 -9.447 -8.263 78 1HB ALA 10 1HB ALA 10 8.476 -11.695 -8.661 79 2HB ALA 10 2HB ALA 10 9.614 -11.554 -7.321 80 3HB ALA 10 3HB ALA 10 7.881 -11.426 -7.023 81 H ALA 11 H ALA 11 6.294 -9.182 -7.639 82 HA ALA 11 HA ALA 11 5.487 -9.268 -10.339 83 1HB ALA 11 1HB ALA 11 4.070 -8.021 -8.003 84 2HB ALA 11 2HB ALA 11 3.927 -9.705 -8.505 85 3HB ALA 11 3HB ALA 11 3.344 -8.419 -9.561 86 H MET 12 H MET 12 6.400 -6.761 -8.187 87 HA MET 12 HA MET 12 5.712 -4.509 -9.704 88 1HB MET 12 1HB MET 12 8.202 -4.674 -8.026 89 2HB MET 12 2HB MET 12 7.230 -3.262 -8.361 90 1HG MET 12 1HG MET 12 6.037 -5.556 -6.900 91 2HG MET 12 2HG MET 12 7.073 -4.412 -6.054 92 1HE MET 12 1HE MET 12 6.295 -1.879 -8.014 93 2HE MET 12 2HE MET 12 5.106 -1.059 -7.003 94 3HE MET 12 3HE MET 12 6.590 -1.688 -6.286 95 H LYS 13 H LYS 13 8.799 -6.265 -9.549 96 HA LYS 13 HA LYS 13 10.224 -4.807 -11.421 97 1HB LYS 13 1HB LYS 13 11.103 -6.666 -9.963 98 2HB LYS 13 2HB LYS 13 10.378 -7.808 -11.087 99 1HG LYS 13 1HG LYS 13 12.498 -7.754 -11.903 100 2HG LYS 13 2HG LYS 13 11.787 -6.444 -12.848 101 1HD LYS 13 1HD LYS 13 12.716 -4.793 -11.390 102 2HD LYS 13 2HD LYS 13 13.240 -6.027 -10.240 103 1HE LYS 13 1HE LYS 13 15.164 -5.360 -11.461 104 2HE LYS 13 2HE LYS 13 14.704 -6.954 -12.058 105 1HZ LYS 13 1HZ LYS 13 13.582 -4.666 -13.465 106 2HZ LYS 13 2HZ LYS 13 15.242 -4.918 -13.655 107 3HZ LYS 13 3HZ LYS 13 14.148 -6.139 -14.072 108 H ARG 14 H ARG 14 8.032 -7.541 -11.893 109 HA ARG 14 HA ARG 14 8.360 -7.748 -14.683 110 1HB ARG 14 1HB ARG 14 6.991 -9.163 -12.756 111 2HB ARG 14 2HB ARG 14 5.689 -8.422 -13.677 112 1HG ARG 14 1HG ARG 14 6.384 -9.468 -15.680 113 2HG ARG 14 2HG ARG 14 7.917 -9.972 -14.965 114 1HD ARG 14 1HD ARG 14 6.961 -11.693 -13.794 115 2HD ARG 14 2HD ARG 14 5.394 -10.892 -13.689 116 HE ARG 14 HE ARG 14 6.125 -11.691 -16.356 117 1HH1 ARG 14 1HH1 ARG 14 4.613 -12.675 -13.375 118 2HH1 ARG 14 2HH1 ARG 14 3.649 -13.906 -14.120 119 1HH2 ARG 14 1HH2 ARG 14 4.860 -13.309 -17.345 120 2HH2 ARG 14 2HH2 ARG 14 3.791 -14.268 -16.377 121 H HIS 15 H HIS 15 6.115 -5.912 -12.647 122 HA HIS 15 HA HIS 15 4.636 -4.868 -14.833 123 1HB HIS 15 1HB HIS 15 4.786 -4.246 -11.895 124 2HB HIS 15 2HB HIS 15 3.787 -3.291 -12.987 125 HD1 HIS 15 HD1 HIS 15 1.992 -4.386 -11.146 126 HD2 HIS 15 HD2 HIS 15 3.502 -6.849 -14.133 127 HE1 HIS 15 HE1 HIS 15 0.394 -6.320 -11.294 128 HE2 HIS 15 HE2 HIS 15 1.378 -7.844 -13.043 129 H GLY 16 H GLY 16 7.769 -4.152 -13.831 130 1HA GLY 16 1HA GLY 16 7.783 -1.826 -15.459 131 2HA GLY 16 2HA GLY 16 9.149 -2.546 -14.634 132 H LEU 17 H LEU 17 7.635 -2.245 -11.931 133 HA LEU 17 HA LEU 17 7.501 0.630 -11.771 134 1HB LEU 17 1HB LEU 17 7.463 -1.170 -9.383 135 2HB LEU 17 2HB LEU 17 6.715 0.401 -9.579 136 HG LEU 17 HG LEU 17 5.688 -2.270 -10.205 137 1HD1 LEU 17 1HD1 LEU 17 4.918 -0.099 -8.709 138 2HD1 LEU 17 2HD1 LEU 17 3.845 -0.016 -10.107 139 3HD1 LEU 17 3HD1 LEU 17 3.901 -1.478 -9.123 140 1HD2 LEU 17 1HD2 LEU 17 5.436 -0.031 -12.185 141 2HD2 LEU 17 2HD2 LEU 17 5.763 -1.740 -12.476 142 3HD2 LEU 17 3HD2 LEU 17 4.149 -1.221 -11.990 143 H ASP 18 H ASP 18 9.895 -1.576 -11.732 144 HA ASP 18 HA ASP 18 11.629 -0.358 -9.783 145 1HB ASP 18 1HB ASP 18 12.121 -2.627 -10.129 146 2HB ASP 18 2HB ASP 18 11.993 -2.485 -11.877 147 H ASN 19 H ASN 19 11.815 1.774 -10.280 148 HA ASN 19 HA ASN 19 12.979 3.557 -11.151 149 1HB ASN 19 1HB ASN 19 14.519 1.669 -12.200 150 2HB ASN 19 2HB ASN 19 13.682 2.123 -13.682 151 2HD2 ASN 19 2HD2 ASN 19 16.127 2.911 -11.471 152 1HD2 ASN 19 1HD2 ASN 19 16.610 4.414 -12.173 153 H TYR 20 H TYR 20 10.287 3.021 -11.366 154 HA TYR 20 HA TYR 20 9.463 3.729 -14.077 155 1HB TYR 20 1HB TYR 20 8.256 2.004 -12.647 156 2HB TYR 20 2HB TYR 20 7.639 3.359 -11.707 157 HD1 TYR 20 HD1 TYR 20 7.610 1.747 -15.025 158 HD2 TYR 20 HD2 TYR 20 5.885 4.747 -12.551 159 HE1 TYR 20 HE1 TYR 20 5.790 2.032 -16.653 160 HE2 TYR 20 HE2 TYR 20 4.059 5.040 -14.172 161 HH TYR 20 HH TYR 20 3.176 2.986 -16.342 162 H ARG 21 H ARG 21 9.099 5.742 -14.710 163 HA ARG 21 HA ARG 21 8.828 8.005 -14.664 164 1HB ARG 21 1HB ARG 21 6.872 6.987 -12.944 165 2HB ARG 21 2HB ARG 21 7.643 8.271 -12.020 166 1HG ARG 21 1HG ARG 21 6.620 8.655 -14.820 167 2HG ARG 21 2HG ARG 21 5.641 8.944 -13.381 168 1HD ARG 21 1HD ARG 21 7.557 10.467 -12.619 169 2HD ARG 21 2HD ARG 21 8.115 10.381 -14.289 170 HE ARG 21 HE ARG 21 5.354 11.126 -14.046 171 1HH1 ARG 21 1HH1 ARG 21 8.637 12.292 -14.029 172 2HH1 ARG 21 2HH1 ARG 21 8.203 13.903 -14.497 173 1HH2 ARG 21 1HH2 ARG 21 4.774 13.243 -14.662 174 2HH2 ARG 21 2HH2 ARG 21 6.008 14.444 -14.856 175 H GLY 22 H GLY 22 10.974 6.473 -13.307 176 1HA GLY 22 1HA GLY 22 12.262 8.762 -12.036 177 2HA GLY 22 2HA GLY 22 13.064 7.313 -12.616 178 H TYR 23 H TYR 23 10.551 6.037 -10.925 179 HA TYR 23 HA TYR 23 12.006 6.273 -8.397 180 1HB TYR 23 1HB TYR 23 9.125 5.903 -9.021 181 2HB TYR 23 2HB TYR 23 9.752 5.234 -7.516 182 HD1 TYR 23 HD1 TYR 23 11.416 6.992 -6.267 183 HD2 TYR 23 HD2 TYR 23 8.193 8.008 -8.852 184 HE1 TYR 23 HE1 TYR 23 11.285 9.212 -5.220 185 HE2 TYR 23 HE2 TYR 23 8.053 10.231 -7.811 186 HH TYR 23 HH TYR 23 10.397 11.279 -5.390 187 H SER 24 H SER 24 13.056 4.648 -7.579 188 HA SER 24 HA SER 24 13.175 2.161 -8.975 189 1HB SER 24 1HB SER 24 14.914 1.570 -7.410 190 2HB SER 24 2HB SER 24 15.148 3.251 -7.887 191 HG SER 24 HG SER 24 13.959 2.310 -5.489 192 H LEU 25 H LEU 25 12.935 0.096 -7.957 193 HA LEU 25 HA LEU 25 10.471 -0.561 -7.109 194 1HB LEU 25 1HB LEU 25 13.105 -1.790 -7.002 195 2HB LEU 25 2HB LEU 25 12.035 -2.378 -5.743 196 HG LEU 25 HG LEU 25 11.171 -2.305 -8.613 197 1HD1 LEU 25 1HD1 LEU 25 12.932 -4.281 -7.229 198 2HD1 LEU 25 2HD1 LEU 25 11.794 -4.826 -8.462 199 3HD1 LEU 25 3HD1 LEU 25 13.035 -3.640 -8.869 200 1HD2 LEU 25 1HD2 LEU 25 10.178 -3.414 -6.064 201 2HD2 LEU 25 2HD2 LEU 25 9.291 -2.805 -7.462 202 3HD2 LEU 25 3HD2 LEU 25 9.979 -4.428 -7.492 203 H GLY 26 H GLY 26 13.198 -0.096 -4.842 204 1HA GLY 26 1HA GLY 26 13.214 0.707 -2.686 205 2HA GLY 26 2HA GLY 26 12.017 -0.552 -2.456 206 H ASN 27 H ASN 27 11.657 2.456 -4.302 207 HA ASN 27 HA ASN 27 10.275 3.859 -2.269 208 1HB ASN 27 1HB ASN 27 10.283 4.256 -5.263 209 2HB ASN 27 2HB ASN 27 9.586 5.389 -4.110 210 2HD2 ASN 27 2HD2 ASN 27 12.601 3.702 -4.870 211 1HD2 ASN 27 1HD2 ASN 27 13.647 4.987 -4.380 212 H TRP 28 H TRP 28 9.222 1.695 -4.801 213 HA TRP 28 HA TRP 28 6.435 2.268 -4.510 214 1HB TRP 28 1HB TRP 28 7.790 -0.064 -5.855 215 2HB TRP 28 2HB TRP 28 6.103 0.414 -6.048 216 HD1 TRP 28 HD1 TRP 28 9.589 1.267 -7.197 217 HE1 TRP 28 HE1 TRP 28 9.474 3.103 -8.983 218 HE3 TRP 28 HE3 TRP 28 4.646 2.438 -6.813 219 HZ2 TRP 28 HZ2 TRP 28 7.560 4.841 -10.105 220 HZ3 TRP 28 HZ3 TRP 28 3.711 4.178 -8.266 221 HH2 TRP 28 HH2 TRP 28 5.142 5.364 -9.890 222 H VAL 29 H VAL 29 8.631 -0.208 -3.220 223 HA VAL 29 HA VAL 29 6.577 -1.812 -2.127 224 HB VAL 29 HB VAL 29 9.497 -1.581 -1.387 225 1HG1 VAL 29 1HG1 VAL 29 8.199 -2.510 0.462 226 2HG1 VAL 29 2HG1 VAL 29 7.505 -3.714 -0.623 227 3HG1 VAL 29 3HG1 VAL 29 9.233 -3.735 -0.273 228 1HG2 VAL 29 1HG2 VAL 29 8.375 -2.538 -3.703 229 2HG2 VAL 29 2HG2 VAL 29 9.967 -2.967 -3.075 230 3HG2 VAL 29 3HG2 VAL 29 8.578 -3.998 -2.732 231 H CYS 30 H CYS 30 8.749 0.615 -0.699 232 HA CYS 30 HA CYS 30 7.737 0.466 1.901 233 1HB CYS 30 1HB CYS 30 9.852 1.632 1.129 234 2HB CYS 30 2HB CYS 30 8.828 2.970 0.620 235 H ALA 31 H ALA 31 6.797 2.592 -0.809 236 HA ALA 31 HA ALA 31 4.897 4.097 0.595 237 1HB ALA 31 1HB ALA 31 5.947 4.351 -1.812 238 2HB ALA 31 2HB ALA 31 4.371 5.038 -1.420 239 3HB ALA 31 3HB ALA 31 4.474 3.507 -2.289 240 H ALA 32 H ALA 32 4.537 1.153 -1.359 241 HA ALA 32 HA ALA 32 1.732 0.954 -1.064 242 1HB ALA 32 1HB ALA 32 3.102 -0.174 -2.824 243 2HB ALA 32 2HB ALA 32 3.642 -1.314 -1.592 244 3HB ALA 32 3HB ALA 32 1.933 -1.221 -2.021 245 H LYS 33 H LYS 33 4.423 -0.557 0.700 246 HA LYS 33 HA LYS 33 3.069 -2.295 2.319 247 1HB LYS 33 1HB LYS 33 5.543 -2.016 2.195 248 2HB LYS 33 2HB LYS 33 5.390 -0.570 3.182 249 1HG LYS 33 1HG LYS 33 4.941 -1.742 5.085 250 2HG LYS 33 2HG LYS 33 4.220 -3.096 4.213 251 1HD LYS 33 1HD LYS 33 6.201 -4.144 3.942 252 2HD LYS 33 2HD LYS 33 7.082 -2.635 3.694 253 1HE LYS 33 1HE LYS 33 7.872 -3.590 5.726 254 2HE LYS 33 2HE LYS 33 6.862 -2.208 6.152 255 1HZ LYS 33 1HZ LYS 33 5.418 -4.693 5.995 256 2HZ LYS 33 2HZ LYS 33 6.620 -4.690 7.185 257 3HZ LYS 33 3HZ LYS 33 5.407 -3.510 7.204 258 H PHE 34 H PHE 34 3.865 1.083 3.163 259 HA PHE 34 HA PHE 34 2.241 0.961 5.486 260 1HB PHE 34 1HB PHE 34 3.924 2.959 4.222 261 2HB PHE 34 2HB PHE 34 2.655 3.585 5.254 262 HD1 PHE 34 HD1 PHE 34 2.561 2.767 7.643 263 HD2 PHE 34 HD2 PHE 34 5.904 2.086 5.100 264 HE1 PHE 34 HE1 PHE 34 3.963 2.317 9.614 265 HE2 PHE 34 HE2 PHE 34 7.313 1.634 7.065 266 HZ PHE 34 HZ PHE 34 6.343 1.749 9.326 267 H GLU 35 H GLU 35 1.696 2.000 2.219 268 HA GLU 35 HA GLU 35 -0.543 3.619 2.649 269 1HB GLU 35 1HB GLU 35 0.765 2.281 0.405 270 2HB GLU 35 2HB GLU 35 -0.977 2.410 0.205 271 1HG GLU 35 1HG GLU 35 -0.934 4.731 0.222 272 2HG GLU 35 2HG GLU 35 0.653 4.791 0.989 273 H SER 36 H SER 36 -0.405 0.205 1.663 274 HA SER 36 HA SER 36 -3.086 -0.161 2.840 275 1HB SER 36 1HB SER 36 -3.624 -1.649 0.916 276 2HB SER 36 2HB SER 36 -3.327 0.019 0.428 277 HG SER 36 HG SER 36 -2.004 -2.238 -0.263 278 H ASN 37 H ASN 37 0.034 -1.121 3.098 279 HA ASN 37 HA ASN 37 1.074 -2.927 4.033 280 1HB ASN 37 1HB ASN 37 -1.758 -3.355 4.958 281 2HB ASN 37 2HB ASN 37 -0.508 -4.542 5.318 282 2HD2 ASN 37 2HD2 ASN 37 -2.143 -2.266 6.745 283 1HD2 ASN 37 1HD2 ASN 37 -0.952 -1.568 7.784 284 H PHE 38 H PHE 38 -0.011 -2.926 1.329 285 HA PHE 38 HA PHE 38 -0.008 -4.193 -0.500 286 1HB PHE 38 1HB PHE 38 0.893 -6.426 1.332 287 2HB PHE 38 2HB PHE 38 0.961 -6.435 -0.427 288 HD1 PHE 38 HD1 PHE 38 2.147 -4.237 -1.417 289 HD2 PHE 38 HD2 PHE 38 2.863 -5.942 2.416 290 HE1 PHE 38 HE1 PHE 38 4.351 -3.147 -1.352 291 HE2 PHE 38 HE2 PHE 38 5.070 -4.856 2.487 292 HZ PHE 38 HZ PHE 38 5.818 -3.460 0.602 293 H ASN 39 H ASN 39 -2.344 -3.984 1.359 294 HA ASN 39 HA ASN 39 -3.772 -6.461 0.946 295 1HB ASN 39 1HB ASN 39 -4.174 -5.112 2.972 296 2HB ASN 39 2HB ASN 39 -4.765 -3.793 1.970 297 2HD2 ASN 39 2HD2 ASN 39 -6.640 -4.105 3.425 298 1HD2 ASN 39 1HD2 ASN 39 -7.849 -5.242 2.949 299 H THR 40 H THR 40 -4.522 -6.949 -0.957 300 HA THR 40 HA THR 40 -4.717 -5.195 -3.127 301 HB THR 40 HB THR 40 -5.295 -7.024 -4.376 302 HG1 THR 40 HG1 THR 40 -6.956 -8.316 -3.881 303 1HG2 THR 40 1HG2 THR 40 -3.633 -7.629 -2.224 304 2HG2 THR 40 2HG2 THR 40 -4.748 -8.990 -2.343 305 3HG2 THR 40 3HG2 THR 40 -3.779 -8.521 -3.739 306 H GLN 41 H GLN 41 -6.791 -5.851 -0.541 307 HA GLN 41 HA GLN 41 -9.075 -4.624 -1.908 308 1HB GLN 41 1HB GLN 41 -8.734 -6.780 0.074 309 2HB GLN 41 2HB GLN 41 -10.106 -5.732 0.314 310 1HG GLN 41 1HG GLN 41 -9.739 -6.715 -2.426 311 2HG GLN 41 2HG GLN 41 -10.127 -7.941 -1.220 312 2HE2 GLN 41 2HE2 GLN 41 -11.517 -6.256 -3.502 313 1HE2 GLN 41 1HE2 GLN 41 -13.070 -5.943 -2.813 314 H ALA 42 H ALA 42 -6.638 -3.698 0.048 315 HA ALA 42 HA ALA 42 -7.844 -2.493 2.255 316 1HB ALA 42 1HB ALA 42 -5.270 -2.252 0.865 317 2HB ALA 42 2HB ALA 42 -5.628 -2.450 2.580 318 3HB ALA 42 3HB ALA 42 -5.751 -0.858 1.833 319 H THR 43 H THR 43 -9.117 -0.836 2.507 320 HA THR 43 HA THR 43 -9.226 1.260 0.436 321 HB THR 43 HB THR 43 -11.525 1.379 0.543 322 HG1 THR 43 HG1 THR 43 -12.472 0.120 2.570 323 1HG2 THR 43 1HG2 THR 43 -10.847 -1.485 1.186 324 2HG2 THR 43 2HG2 THR 43 -12.473 -0.961 0.748 325 3HG2 THR 43 3HG2 THR 43 -11.147 -0.767 -0.397 326 H ASN 44 H ASN 44 -8.886 3.324 1.202 327 HA ASN 44 HA ASN 44 -8.991 3.696 4.122 328 1HB ASN 44 1HB ASN 44 -6.960 4.886 2.223 329 2HB ASN 44 2HB ASN 44 -7.047 5.183 3.957 330 2HD2 ASN 44 2HD2 ASN 44 -6.306 2.851 1.478 331 1HD2 ASN 44 1HD2 ASN 44 -5.426 1.761 2.488 332 H ARG 45 H ARG 45 -10.729 4.922 4.470 333 HA ARG 45 HA ARG 45 -11.545 6.959 2.587 334 1HB ARG 45 1HB ARG 45 -12.838 5.401 4.533 335 2HB ARG 45 2HB ARG 45 -12.944 7.057 5.113 336 1HG ARG 45 1HG ARG 45 -14.696 7.307 3.781 337 2HG ARG 45 2HG ARG 45 -13.579 7.229 2.417 338 1HD ARG 45 1HD ARG 45 -14.341 5.228 1.794 339 2HD ARG 45 2HD ARG 45 -14.233 4.597 3.436 340 HE ARG 45 HE ARG 45 -16.448 5.414 3.838 341 1HH1 ARG 45 1HH1 ARG 45 -15.399 5.576 0.519 342 2HH1 ARG 45 2HH1 ARG 45 -17.006 5.676 -0.118 343 1HH2 ARG 45 1HH2 ARG 45 -18.566 5.545 3.007 344 2HH2 ARG 45 2HH2 ARG 45 -18.807 5.658 1.296 345 H ASN 46 H ASN 46 -10.905 9.000 2.632 346 HA ASN 46 HA ASN 46 -9.560 10.009 5.038 347 1HB ASN 46 1HB ASN 46 -9.547 11.435 2.401 348 2HB ASN 46 2HB ASN 46 -8.338 11.456 3.680 349 2HD2 ASN 46 2HD2 ASN 46 -8.631 10.623 0.662 350 1HD2 ASN 46 1HD2 ASN 46 -7.680 9.182 0.596 351 H THR 47 H THR 47 -9.786 12.519 5.199 352 HA THR 47 HA THR 47 -12.589 13.028 5.656 353 HB THR 47 HB THR 47 -11.794 15.200 6.597 354 HG1 THR 47 HG1 THR 47 -9.900 15.460 5.356 355 1HG2 THR 47 1HG2 THR 47 -12.008 13.183 8.001 356 2HG2 THR 47 2HG2 THR 47 -10.331 12.774 7.645 357 3HG2 THR 47 3HG2 THR 47 -10.708 14.240 8.550 358 H ASP 48 H ASP 48 -10.382 13.596 3.138 359 HA ASP 48 HA ASP 48 -11.517 16.027 2.138 360 1HB ASP 48 1HB ASP 48 -10.212 15.417 0.057 361 2HB ASP 48 2HB ASP 48 -9.263 15.587 1.529 362 H GLY 49 H GLY 49 -12.659 12.909 2.253 363 1HA GLY 49 1HA GLY 49 -14.575 13.491 0.100 364 2HA GLY 49 2HA GLY 49 -14.857 12.404 1.450 365 H SER 50 H SER 50 -11.917 12.398 -0.458 366 HA SER 50 HA SER 50 -12.754 10.251 -2.164 367 1HB SER 50 1HB SER 50 -10.098 10.208 -2.492 368 2HB SER 50 2HB SER 50 -11.123 11.420 -3.260 369 HG SER 50 HG SER 50 -9.144 12.053 -1.917 370 H THR 51 H THR 51 -11.059 8.339 -2.304 371 HA THR 51 HA THR 51 -10.446 7.311 0.369 372 HB THR 51 HB THR 51 -11.784 5.432 -1.523 373 HG1 THR 51 HG1 THR 51 -13.428 6.821 -1.510 374 1HG2 THR 51 1HG2 THR 51 -11.316 5.670 1.409 375 2HG2 THR 51 2HG2 THR 51 -12.725 4.769 0.852 376 3HG2 THR 51 3HG2 THR 51 -11.108 4.280 0.344 377 H ASP 52 H ASP 52 -9.332 5.082 0.135 378 HA ASP 52 HA ASP 52 -7.528 5.130 -2.197 379 1HB ASP 52 1HB ASP 52 -6.818 4.409 0.653 380 2HB ASP 52 2HB ASP 52 -5.721 4.368 -0.723 381 H TYR 53 H TYR 53 -8.827 3.616 -3.262 382 HA TYR 53 HA TYR 53 -9.057 0.986 -2.006 383 1HB TYR 53 1HB TYR 53 -10.199 1.931 -4.641 384 2HB TYR 53 2HB TYR 53 -10.557 0.415 -3.828 385 HD1 TYR 53 HD1 TYR 53 -11.634 0.609 -1.468 386 HD2 TYR 53 HD2 TYR 53 -11.583 3.760 -4.321 387 HE1 TYR 53 HE1 TYR 53 -13.549 1.656 -0.336 388 HE2 TYR 53 HE2 TYR 53 -13.501 4.815 -3.201 389 HH TYR 53 HH TYR 53 -15.361 3.214 -0.845 390 H GLY 54 H GLY 54 -6.709 0.513 -2.202 391 1HA GLY 54 1HA GLY 54 -5.534 0.440 -4.799 392 2HA GLY 54 2HA GLY 54 -6.105 -1.150 -4.317 393 H ILE 55 H ILE 55 -3.769 -1.686 -4.514 394 HA ILE 55 HA ILE 55 -2.550 -1.730 -1.940 395 HB ILE 55 HB ILE 55 -2.188 -3.501 -3.703 396 1HG1 ILE 55 1HG1 ILE 55 0.425 -2.272 -2.828 397 2HG1 ILE 55 2HG1 ILE 55 -0.672 -3.050 -1.691 398 1HG2 ILE 55 1HG2 ILE 55 -1.362 -1.244 -5.214 399 2HG2 ILE 55 2HG2 ILE 55 0.017 -2.330 -5.043 400 3HG2 ILE 55 3HG2 ILE 55 -1.497 -2.926 -5.725 401 1HD1 ILE 55 1HD1 ILE 55 0.134 -4.560 -4.114 402 2HD1 ILE 55 2HD1 ILE 55 1.312 -4.355 -2.817 403 3HD1 ILE 55 3HD1 ILE 55 -0.235 -5.135 -2.489 404 H LEU 56 H LEU 56 -2.406 0.282 -4.744 405 HA LEU 56 HA LEU 56 -0.278 1.915 -3.546 406 1HB LEU 56 1HB LEU 56 -0.807 1.137 -6.257 407 2HB LEU 56 2HB LEU 56 -0.983 2.876 -6.138 408 HG LEU 56 HG LEU 56 1.261 2.718 -6.702 409 1HD1 LEU 56 1HD1 LEU 56 0.981 3.882 -4.503 410 2HD1 LEU 56 2HD1 LEU 56 1.468 2.383 -3.712 411 3HD1 LEU 56 3HD1 LEU 56 2.588 3.214 -4.791 412 1HD2 LEU 56 1HD2 LEU 56 0.921 0.041 -5.933 413 2HD2 LEU 56 2HD2 LEU 56 2.315 0.766 -6.733 414 3HD2 LEU 56 3HD2 LEU 56 2.269 0.650 -4.974 415 H GLN 57 H GLN 57 -3.403 1.632 -3.222 416 HA GLN 57 HA GLN 57 -5.053 2.977 -2.492 417 1HB GLN 57 1HB GLN 57 -2.952 5.135 -2.692 418 2HB GLN 57 2HB GLN 57 -4.541 5.355 -1.972 419 1HG GLN 57 1HG GLN 57 -3.834 3.328 -0.493 420 2HG GLN 57 2HG GLN 57 -2.205 3.800 -0.973 421 2HE2 GLN 57 2HE2 GLN 57 -4.082 3.988 1.524 422 1HE2 GLN 57 1HE2 GLN 57 -3.747 5.576 2.115 423 H ILE 58 H ILE 58 -6.039 2.434 -4.647 424 HA ILE 58 HA ILE 58 -5.857 4.537 -6.625 425 HB ILE 58 HB ILE 58 -7.681 2.143 -6.708 426 1HG1 ILE 58 1HG1 ILE 58 -5.533 1.189 -6.385 427 2HG1 ILE 58 2HG1 ILE 58 -5.816 1.129 -8.120 428 1HG2 ILE 58 1HG2 ILE 58 -7.105 4.341 -8.473 429 2HG2 ILE 58 2HG2 ILE 58 -6.720 2.803 -9.245 430 3HG2 ILE 58 3HG2 ILE 58 -8.339 3.088 -8.607 431 1HD1 ILE 58 1HD1 ILE 58 -4.143 3.177 -6.683 432 2HD1 ILE 58 2HD1 ILE 58 -3.537 1.798 -7.602 433 3HD1 ILE 58 3HD1 ILE 58 -4.410 3.090 -8.425 434 H ASN 59 H ASN 59 -6.818 6.329 -5.834 435 HA ASN 59 HA ASN 59 -9.206 6.418 -4.373 436 1HB ASN 59 1HB ASN 59 -7.650 8.310 -4.476 437 2HB ASN 59 2HB ASN 59 -7.973 8.499 -6.198 438 2HD2 ASN 59 2HD2 ASN 59 -8.468 10.708 -5.455 439 1HD2 ASN 59 1HD2 ASN 59 -10.075 11.048 -4.921 440 H SER 60 H SER 60 -10.970 5.346 -5.190 441 HA SER 60 HA SER 60 -11.585 5.204 -7.939 442 1HB SER 60 1HB SER 60 -13.422 3.949 -7.296 443 2HB SER 60 2HB SER 60 -12.367 3.742 -5.899 444 HG SER 60 HG SER 60 -14.547 4.311 -5.353 445 H ARG 61 H ARG 61 -12.135 7.680 -5.601 446 HA ARG 61 HA ARG 61 -14.367 8.831 -7.063 447 1HB ARG 61 1HB ARG 61 -13.876 8.865 -4.462 448 2HB ARG 61 2HB ARG 61 -12.938 10.291 -4.883 449 1HG ARG 61 1HG ARG 61 -15.127 10.998 -6.125 450 2HG ARG 61 2HG ARG 61 -15.879 9.845 -5.021 451 1HD ARG 61 1HD ARG 61 -15.916 12.115 -4.110 452 2HD ARG 61 2HD ARG 61 -14.939 11.034 -3.116 453 HE ARG 61 HE ARG 61 -13.094 12.134 -4.717 454 1HH1 ARG 61 1HH1 ARG 61 -15.662 13.540 -2.828 455 2HH1 ARG 61 2HH1 ARG 61 -14.819 15.027 -2.551 456 1HH2 ARG 61 1HH2 ARG 61 -11.976 14.088 -4.357 457 2HH2 ARG 61 2HH2 ARG 61 -12.724 15.339 -3.420 458 H TRP 62 H TRP 62 -11.568 8.529 -8.138 459 HA TRP 62 HA TRP 62 -11.476 11.072 -9.459 460 1HB TRP 62 1HB TRP 62 -10.129 11.081 -7.124 461 2HB TRP 62 2HB TRP 62 -8.861 10.507 -8.201 462 HD1 TRP 62 HD1 TRP 62 -8.026 12.197 -10.127 463 HE1 TRP 62 HE1 TRP 62 -8.158 14.762 -10.309 464 HE3 TRP 62 HE3 TRP 62 -11.571 13.086 -6.551 465 HZ2 TRP 62 HZ2 TRP 62 -9.574 16.881 -9.097 466 HZ3 TRP 62 HZ3 TRP 62 -12.258 15.410 -6.123 467 HH2 TRP 62 HH2 TRP 62 -11.279 17.267 -7.370 468 H TRP 63 H TRP 63 -10.871 7.776 -9.451 469 HA TRP 63 HA TRP 63 -9.323 8.052 -11.925 470 1HB TRP 63 1HB TRP 63 -8.742 6.153 -9.650 471 2HB TRP 63 2HB TRP 63 -8.043 5.989 -11.259 472 HD1 TRP 63 HD1 TRP 63 -6.924 7.148 -8.094 473 HE1 TRP 63 HE1 TRP 63 -5.183 9.040 -8.294 474 HE3 TRP 63 HE3 TRP 63 -7.761 8.485 -12.926 475 HZ2 TRP 63 HZ2 TRP 63 -4.298 10.878 -10.272 476 HZ3 TRP 63 HZ3 TRP 63 -6.478 10.311 -13.909 477 HH2 TRP 63 HH2 TRP 63 -4.758 11.490 -12.612 478 H CYS 64 H CYS 64 -10.750 5.420 -10.008 479 HA CYS 64 HA CYS 64 -11.774 4.290 -12.498 480 1HB CYS 64 1HB CYS 64 -11.914 2.215 -11.435 481 2HB CYS 64 2HB CYS 64 -10.489 2.944 -10.704 482 H ASN 65 H ASN 65 -13.883 3.408 -12.663 483 HA ASN 65 HA ASN 65 -15.860 5.147 -11.362 484 1HB ASN 65 1HB ASN 65 -15.914 5.175 -13.788 485 2HB ASN 65 2HB ASN 65 -16.054 3.420 -13.839 486 2HD2 ASN 65 2HD2 ASN 65 -17.675 6.248 -12.443 487 1HD2 ASN 65 1HD2 ASN 65 -19.281 5.667 -12.699 488 H ASP 66 H ASP 66 -16.770 4.329 -9.600 489 HA ASP 66 HA ASP 66 -17.168 1.431 -9.403 490 1HB ASP 66 1HB ASP 66 -17.440 1.780 -7.014 491 2HB ASP 66 2HB ASP 66 -15.959 2.561 -7.560 492 H GLY 67 H GLY 67 -18.856 4.243 -10.145 493 1HA GLY 67 1HA GLY 67 -21.361 2.815 -10.191 494 2HA GLY 67 2HA GLY 67 -21.082 4.455 -10.755 495 H ARG 68 H ARG 68 -19.840 4.192 -7.687 496 HA ARG 68 HA ARG 68 -22.376 4.850 -6.373 497 1HB ARG 68 1HB ARG 68 -19.716 3.880 -5.407 498 2HB ARG 68 2HB ARG 68 -20.766 4.750 -4.297 499 1HG ARG 68 1HG ARG 68 -22.458 3.112 -4.458 500 2HG ARG 68 2HG ARG 68 -21.683 2.346 -5.848 501 1HD ARG 68 1HD ARG 68 -20.297 1.147 -4.559 502 2HD ARG 68 2HD ARG 68 -19.968 2.510 -3.488 503 HE ARG 68 HE ARG 68 -21.837 1.901 -2.182 504 1HH1 ARG 68 1HH1 ARG 68 -21.226 -0.308 -4.806 505 2HH1 ARG 68 2HH1 ARG 68 -22.186 -1.581 -4.128 506 1HH2 ARG 68 1HH2 ARG 68 -23.102 0.232 -1.282 507 2HH2 ARG 68 2HH2 ARG 68 -23.253 -1.274 -2.125 508 H THR 69 H THR 69 -20.278 6.526 -8.062 509 HA THR 69 HA THR 69 -20.704 8.948 -6.510 510 HB THR 69 HB THR 69 -17.928 8.574 -7.545 511 HG1 THR 69 HG1 THR 69 -18.368 7.899 -4.877 512 1HG2 THR 69 1HG2 THR 69 -19.389 10.444 -5.900 513 2HG2 THR 69 2HG2 THR 69 -17.965 9.839 -5.054 514 3HG2 THR 69 3HG2 THR 69 -17.793 10.605 -6.632 515 HA PRO 70 HA PRO 70 -21.459 10.006 -10.829 516 1HB PRO 70 1HB PRO 70 -22.668 12.377 -10.333 517 2HB PRO 70 2HB PRO 70 -23.495 10.828 -10.140 518 1HG PRO 70 1HG PRO 70 -22.227 12.570 -8.061 519 2HG PRO 70 2HG PRO 70 -23.779 11.714 -8.007 520 1HD PRO 70 1HD PRO 70 -21.540 10.770 -6.801 521 2HD PRO 70 2HD PRO 70 -22.794 9.704 -7.466 522 H GLY 71 H GLY 71 -19.785 11.873 -8.398 523 1HA GLY 71 1HA GLY 71 -18.376 13.724 -8.607 524 2HA GLY 71 2HA GLY 71 -18.726 13.768 -10.327 525 H SER 72 H SER 72 -18.025 10.648 -9.767 526 HA SER 72 HA SER 72 -15.254 10.563 -9.370 527 1HB SER 72 1HB SER 72 -15.366 8.293 -10.274 528 2HB SER 72 2HB SER 72 -16.730 8.588 -9.195 529 HG SER 72 HG SER 72 -17.146 7.563 -11.336 530 H ARG 73 H ARG 73 -13.617 11.150 -10.612 531 HA ARG 73 HA ARG 73 -13.914 12.370 -13.114 532 1HB ARG 73 1HB ARG 73 -11.417 11.106 -11.966 533 2HB ARG 73 2HB ARG 73 -11.473 12.296 -13.260 534 1HG ARG 73 1HG ARG 73 -12.668 12.950 -10.607 535 2HG ARG 73 2HG ARG 73 -10.919 13.028 -10.829 536 1HD ARG 73 1HD ARG 73 -11.071 14.728 -12.409 537 2HD ARG 73 2HD ARG 73 -12.762 14.376 -12.765 538 HE ARG 73 HE ARG 73 -11.728 15.940 -10.535 539 1HH1 ARG 73 1HH1 ARG 73 -14.462 14.453 -12.102 540 2HH1 ARG 73 2HH1 ARG 73 -15.632 15.405 -11.252 541 1HH2 ARG 73 1HH2 ARG 73 -13.261 17.200 -9.411 542 2HH2 ARG 73 2HH2 ARG 73 -14.949 16.967 -9.722 543 H ASN 74 H ASN 74 -13.109 9.072 -12.223 544 HA ASN 74 HA ASN 74 -12.914 7.125 -13.405 545 1HB ASN 74 1HB ASN 74 -15.308 7.810 -13.902 546 2HB ASN 74 2HB ASN 74 -14.725 8.482 -15.421 547 2HD2 ASN 74 2HD2 ASN 74 -16.175 6.984 -16.430 548 1HD2 ASN 74 1HD2 ASN 74 -15.697 5.340 -16.657 549 H LEU 75 H LEU 75 -11.110 9.389 -13.935 550 HA LEU 75 HA LEU 75 -10.369 9.728 -16.567 551 1HB LEU 75 1HB LEU 75 -9.066 9.731 -13.907 552 2HB LEU 75 2HB LEU 75 -7.999 9.683 -15.295 553 HG LEU 75 HG LEU 75 -10.085 11.780 -14.632 554 1HD1 LEU 75 1HD1 LEU 75 -7.072 11.929 -14.753 555 2HD1 LEU 75 2HD1 LEU 75 -8.152 13.299 -14.491 556 3HD1 LEU 75 3HD1 LEU 75 -8.074 11.999 -13.303 557 1HD2 LEU 75 1HD2 LEU 75 -8.460 11.335 -17.111 558 2HD2 LEU 75 2HD2 LEU 75 -10.168 11.738 -16.949 559 3HD2 LEU 75 3HD2 LEU 75 -8.940 12.964 -16.635 560 H CYS 76 H CYS 76 -8.533 7.822 -14.377 561 HA CYS 76 HA CYS 76 -7.043 6.220 -15.871 562 1HB CYS 76 1HB CYS 76 -7.862 6.371 -13.279 563 2HB CYS 76 2HB CYS 76 -8.424 4.775 -13.751 564 H ASN 77 H ASN 77 -10.496 5.901 -15.395 565 HA ASN 77 HA ASN 77 -12.085 4.511 -16.259 566 1HB ASN 77 1HB ASN 77 -10.725 5.562 -18.347 567 2HB ASN 77 2HB ASN 77 -10.443 3.848 -18.638 568 2HD2 ASN 77 2HD2 ASN 77 -12.436 2.469 -18.529 569 1HD2 ASN 77 1HD2 ASN 77 -13.870 3.107 -19.251 570 H ILE 78 H ILE 78 -10.838 3.214 -14.401 571 HA ILE 78 HA ILE 78 -10.168 0.603 -15.555 572 HB ILE 78 HB ILE 78 -8.417 0.317 -14.184 573 1HG1 ILE 78 1HG1 ILE 78 -10.265 1.403 -12.156 574 2HG1 ILE 78 2HG1 ILE 78 -9.139 0.056 -12.044 575 1HG2 ILE 78 1HG2 ILE 78 -8.142 2.533 -15.284 576 2HG2 ILE 78 2HG2 ILE 78 -8.682 3.286 -13.783 577 3HG2 ILE 78 3HG2 ILE 78 -7.198 2.333 -13.808 578 1HD1 ILE 78 1HD1 ILE 78 -7.303 1.723 -11.773 579 2HD1 ILE 78 2HD1 ILE 78 -8.538 2.979 -11.687 580 3HD1 ILE 78 3HD1 ILE 78 -8.486 1.707 -10.466 581 HA PRO 79 HA PRO 79 -13.507 -1.075 -13.172 582 1HB PRO 79 1HB PRO 79 -12.126 -3.621 -12.920 583 2HB PRO 79 2HB PRO 79 -13.516 -3.218 -13.929 584 1HG PRO 79 1HG PRO 79 -11.051 -3.789 -14.939 585 2HG PRO 79 2HG PRO 79 -12.215 -2.726 -15.749 586 1HD PRO 79 1HD PRO 79 -9.823 -2.009 -14.097 587 2HD PRO 79 2HD PRO 79 -10.425 -1.265 -15.595 588 H CYS 80 H CYS 80 -13.736 -0.475 -11.100 589 HA CYS 80 HA CYS 80 -11.654 -0.361 -9.239 590 1HB CYS 80 1HB CYS 80 -14.593 -0.463 -8.576 591 2HB CYS 80 2HB CYS 80 -13.307 0.290 -7.640 592 H SER 81 H SER 81 -14.486 -2.546 -9.119 593 HA SER 81 HA SER 81 -13.492 -4.135 -7.034 594 1HB SER 81 1HB SER 81 -15.246 -5.709 -7.600 595 2HB SER 81 2HB SER 81 -15.871 -4.069 -7.777 596 HG SER 81 HG SER 81 -15.843 -4.275 -9.941 597 H ALA 82 H ALA 82 -12.693 -4.140 -10.404 598 HA ALA 82 HA ALA 82 -11.585 -6.828 -10.305 599 1HB ALA 82 1HB ALA 82 -12.628 -5.312 -12.347 600 2HB ALA 82 2HB ALA 82 -11.699 -6.800 -12.533 601 3HB ALA 82 3HB ALA 82 -10.891 -5.236 -12.641 602 H LEU 83 H LEU 83 -10.604 -3.639 -9.700 603 HA LEU 83 HA LEU 83 -7.775 -4.172 -10.149 604 1HB LEU 83 1HB LEU 83 -7.453 -1.934 -10.108 605 2HB LEU 83 2HB LEU 83 -9.174 -1.901 -10.431 606 HG LEU 83 HG LEU 83 -9.239 -1.877 -7.741 607 1HD1 LEU 83 1HD1 LEU 83 -6.544 -0.931 -8.547 608 2HD1 LEU 83 2HD1 LEU 83 -7.394 -0.033 -7.289 609 3HD1 LEU 83 3HD1 LEU 83 -7.066 -1.753 -7.075 610 1HD2 LEU 83 1HD2 LEU 83 -10.026 -0.225 -9.661 611 2HD2 LEU 83 2HD2 LEU 83 -10.005 0.255 -7.964 612 3HD2 LEU 83 3HD2 LEU 83 -8.688 0.736 -9.033 613 H LEU 84 H LEU 84 -9.991 -4.804 -7.815 614 HA LEU 84 HA LEU 84 -8.098 -4.533 -5.594 615 1HB LEU 84 1HB LEU 84 -11.028 -5.231 -5.492 616 2HB LEU 84 2HB LEU 84 -10.002 -4.804 -4.138 617 HG LEU 84 HG LEU 84 -11.001 -3.016 -6.333 618 1HD1 LEU 84 1HD1 LEU 84 -11.406 -3.239 -3.386 619 2HD1 LEU 84 2HD1 LEU 84 -11.584 -1.676 -4.183 620 3HD1 LEU 84 3HD1 LEU 84 -12.595 -3.037 -4.672 621 1HD2 LEU 84 1HD2 LEU 84 -8.816 -2.478 -4.328 622 2HD2 LEU 84 2HD2 LEU 84 -8.690 -2.447 -6.087 623 3HD2 LEU 84 3HD2 LEU 84 -9.646 -1.224 -5.249 624 H SER 85 H SER 85 -8.795 -6.708 -7.865 625 HA SER 85 HA SER 85 -9.170 -9.128 -6.437 626 1HB SER 85 1HB SER 85 -7.822 -8.821 -9.123 627 2HB SER 85 2HB SER 85 -8.674 -10.235 -8.502 628 HG SER 85 HG SER 85 -10.112 -9.229 -9.807 629 H SER 86 H SER 86 -7.308 -10.867 -7.166 630 HA SER 86 HA SER 86 -5.111 -10.219 -5.410 631 1HB SER 86 1HB SER 86 -6.331 -12.509 -5.676 632 2HB SER 86 2HB SER 86 -5.261 -12.729 -7.060 633 HG SER 86 HG SER 86 -4.719 -12.993 -4.439 634 H ASP 87 H ASP 87 -5.410 -8.774 -7.939 635 HA ASP 87 HA ASP 87 -2.758 -9.332 -9.069 636 1HB ASP 87 1HB ASP 87 -4.436 -10.196 -10.613 637 2HB ASP 87 2HB ASP 87 -5.275 -8.650 -10.593 638 H ILE 88 H ILE 88 -1.461 -7.615 -8.912 639 HA ILE 88 HA ILE 88 -2.549 -5.048 -8.165 640 HB ILE 88 HB ILE 88 0.028 -4.459 -8.461 641 1HG1 ILE 88 1HG1 ILE 88 0.359 -7.281 -7.574 642 2HG1 ILE 88 2HG1 ILE 88 0.207 -6.984 -9.303 643 1HG2 ILE 88 1HG2 ILE 88 -1.675 -5.080 -6.354 644 2HG2 ILE 88 2HG2 ILE 88 -0.212 -6.017 -6.052 645 3HG2 ILE 88 3HG2 ILE 88 -0.112 -4.269 -6.259 646 1HD1 ILE 88 1HD1 ILE 88 2.065 -5.132 -8.163 647 2HD1 ILE 88 2HD1 ILE 88 2.501 -6.782 -7.720 648 3HD1 ILE 88 3HD1 ILE 88 2.318 -6.345 -9.418 649 H THR 89 H THR 89 -2.044 -6.546 -11.101 650 HA THR 89 HA THR 89 -0.820 -4.705 -12.728 651 HB THR 89 HB THR 89 -3.249 -6.374 -13.408 652 HG1 THR 89 HG1 THR 89 -1.177 -7.466 -14.461 653 1HG2 THR 89 1HG2 THR 89 -1.300 -4.846 -15.118 654 2HG2 THR 89 2HG2 THR 89 -2.238 -6.201 -15.745 655 3HG2 THR 89 3HG2 THR 89 -3.062 -4.770 -15.126 656 H ALA 90 H ALA 90 -4.282 -4.795 -11.874 657 HA ALA 90 HA ALA 90 -4.971 -2.522 -13.311 658 1HB ALA 90 1HB ALA 90 -6.643 -4.111 -12.717 659 2HB ALA 90 2HB ALA 90 -7.052 -2.567 -11.968 660 3HB ALA 90 3HB ALA 90 -6.337 -3.857 -11.000 661 H SER 91 H SER 91 -4.345 -2.915 -9.813 662 HA SER 91 HA SER 91 -4.759 -0.215 -9.130 663 1HB SER 91 1HB SER 91 -2.767 -1.817 -7.597 664 2HB SER 91 2HB SER 91 -4.081 -0.797 -7.009 665 HG SER 91 HG SER 91 -4.632 -2.931 -6.655 666 H VAL 92 H VAL 92 -1.986 -1.895 -10.382 667 HA VAL 92 HA VAL 92 -0.220 0.310 -9.838 668 HB VAL 92 HB VAL 92 0.227 -2.168 -11.499 669 1HG1 VAL 92 1HG1 VAL 92 2.070 0.166 -10.966 670 2HG1 VAL 92 2HG1 VAL 92 2.628 -1.403 -11.547 671 3HG1 VAL 92 3HG1 VAL 92 1.526 -0.438 -12.530 672 1HG2 VAL 92 1HG2 VAL 92 1.332 -1.262 -8.839 673 2HG2 VAL 92 2HG2 VAL 92 0.167 -2.560 -9.103 674 3HG2 VAL 92 3HG2 VAL 92 1.819 -2.724 -9.698 675 H ASN 93 H ASN 93 -1.707 -1.028 -12.795 676 HA ASN 93 HA ASN 93 -0.636 0.639 -14.612 677 1HB ASN 93 1HB ASN 93 -2.001 -0.538 -15.887 678 2HB ASN 93 2HB ASN 93 -2.849 -1.077 -14.460 679 2HD2 ASN 93 2HD2 ASN 93 -4.811 -0.215 -13.950 680 1HD2 ASN 93 1HD2 ASN 93 -5.651 0.907 -14.961 681 H CYS 94 H CYS 94 -3.345 1.230 -12.483 682 HA CYS 94 HA CYS 94 -4.006 3.788 -13.453 683 1HB CYS 94 1HB CYS 94 -5.249 2.167 -11.764 684 2HB CYS 94 2HB CYS 94 -4.402 3.145 -10.568 685 H ALA 95 H ALA 95 -1.971 2.749 -10.705 686 HA ALA 95 HA ALA 95 -1.220 5.407 -10.025 687 1HB ALA 95 1HB ALA 95 -0.914 3.930 -8.293 688 2HB ALA 95 2HB ALA 95 -0.107 2.737 -9.313 689 3HB ALA 95 3HB ALA 95 0.728 4.224 -8.862 690 H LYS 96 H LYS 96 0.005 3.062 -12.289 691 HA LYS 96 HA LYS 96 2.532 4.036 -12.814 692 1HB LYS 96 1HB LYS 96 0.441 2.693 -14.492 693 2HB LYS 96 2HB LYS 96 1.866 3.350 -15.284 694 1HG LYS 96 1HG LYS 96 3.310 1.919 -14.067 695 2HG LYS 96 2HG LYS 96 2.010 1.424 -12.983 696 1HD LYS 96 1HD LYS 96 1.661 -0.309 -14.339 697 2HD LYS 96 2HD LYS 96 1.073 0.842 -15.542 698 1HE LYS 96 1HE LYS 96 3.275 1.043 -16.496 699 2HE LYS 96 2HE LYS 96 3.961 0.040 -15.219 700 1HZ LYS 96 1HZ LYS 96 1.918 -0.907 -17.151 701 2HZ LYS 96 2HZ LYS 96 3.581 -1.143 -17.343 702 3HZ LYS 96 3HZ LYS 96 2.773 -1.843 -16.033 703 H LYS 97 H LYS 97 -0.631 5.012 -13.778 704 HA LYS 97 HA LYS 97 0.207 7.251 -15.410 705 1HB LYS 97 1HB LYS 97 -2.155 5.770 -15.149 706 2HB LYS 97 2HB LYS 97 -2.558 7.369 -14.538 707 1HG LYS 97 1HG LYS 97 -2.163 8.391 -16.573 708 2HG LYS 97 2HG LYS 97 -1.136 7.077 -17.148 709 1HD LYS 97 1HD LYS 97 -2.964 6.467 -18.308 710 2HD LYS 97 2HD LYS 97 -3.487 5.776 -16.770 711 1HE LYS 97 1HE LYS 97 -5.119 7.291 -16.513 712 2HE LYS 97 2HE LYS 97 -4.093 8.620 -17.049 713 1HZ LYS 97 1HZ LYS 97 -4.484 7.331 -19.344 714 2HZ LYS 97 2HZ LYS 97 -5.944 6.983 -18.566 715 3HZ LYS 97 3HZ LYS 97 -5.474 8.591 -18.803 716 H ILE 98 H ILE 98 -0.833 6.655 -12.126 717 HA ILE 98 HA ILE 98 -1.342 9.296 -11.347 718 HB ILE 98 HB ILE 98 -0.421 6.943 -9.724 719 1HG1 ILE 98 1HG1 ILE 98 -3.118 8.313 -9.901 720 2HG1 ILE 98 2HG1 ILE 98 -2.691 6.853 -10.784 721 1HG2 ILE 98 1HG2 ILE 98 -1.293 9.673 -8.787 722 2HG2 ILE 98 2HG2 ILE 98 -1.100 8.264 -7.744 723 3HG2 ILE 98 3HG2 ILE 98 0.298 8.940 -8.581 724 1HD1 ILE 98 1HD1 ILE 98 -2.105 6.422 -8.045 725 2HD1 ILE 98 2HD1 ILE 98 -3.729 7.098 -8.167 726 3HD1 ILE 98 3HD1 ILE 98 -3.315 5.631 -9.055 727 H VAL 99 H VAL 99 1.556 7.326 -11.053 728 HA VAL 99 HA VAL 99 3.218 9.379 -10.031 729 HB VAL 99 HB VAL 99 3.657 6.964 -9.696 730 1HG1 VAL 99 1HG1 VAL 99 3.421 6.890 -12.511 731 2HG1 VAL 99 2HG1 VAL 99 5.067 6.407 -12.105 732 3HG1 VAL 99 3HG1 VAL 99 3.698 5.549 -11.401 733 1HG2 VAL 99 1HG2 VAL 99 5.629 8.927 -10.628 734 2HG2 VAL 99 2HG2 VAL 99 5.600 7.957 -9.155 735 3HG2 VAL 99 3HG2 VAL 99 6.180 7.253 -10.664 736 H SER 100 H SER 100 2.252 8.434 -13.237 737 HA SER 100 HA SER 100 4.444 9.850 -14.511 738 1HB SER 100 1HB SER 100 3.635 9.014 -16.545 739 2HB SER 100 2HB SER 100 3.219 7.734 -15.405 740 HG SER 100 HG SER 100 1.585 9.447 -16.822 741 H ASP 101 H ASP 101 1.515 10.625 -13.106 742 HA ASP 101 HA ASP 101 0.770 12.774 -14.874 743 1HB ASP 101 1HB ASP 101 -0.525 11.305 -12.886 744 2HB ASP 101 2HB ASP 101 -0.391 12.927 -12.217 745 H GLY 102 H GLY 102 3.202 12.427 -12.642 746 1HA GLY 102 1HA GLY 102 3.161 15.311 -12.000 747 2HA GLY 102 2HA GLY 102 4.614 14.502 -12.561 748 H ASN 103 H ASN 103 2.201 13.446 -10.173 749 HA ASN 103 HA ASN 103 4.128 13.827 -8.023 750 1HB ASN 103 1HB ASN 103 1.247 12.905 -7.978 751 2HB ASN 103 2HB ASN 103 2.242 13.161 -6.548 752 2HD2 ASN 103 2HD2 ASN 103 0.879 14.760 -9.372 753 1HD2 ASN 103 1HD2 ASN 103 0.791 16.333 -8.664 754 H GLY 104 H GLY 104 5.570 12.277 -7.650 755 1HA GLY 104 1HA GLY 104 6.558 10.186 -7.715 756 2HA GLY 104 2HA GLY 104 5.123 9.565 -8.510 757 H MET 105 H MET 105 6.936 9.173 -5.862 758 HA MET 105 HA MET 105 4.910 7.729 -4.450 759 1HB MET 105 1HB MET 105 7.528 8.359 -3.174 760 2HB MET 105 2HB MET 105 6.629 6.849 -3.198 761 1HG MET 105 1HG MET 105 8.245 8.007 -5.454 762 2HG MET 105 2HG MET 105 8.682 6.632 -4.442 763 1HE MET 105 1HE MET 105 5.449 5.674 -4.283 764 2HE MET 105 2HE MET 105 5.507 4.326 -5.417 765 3HE MET 105 3HE MET 105 6.793 4.533 -4.227 766 H ASN 106 H ASN 106 5.764 10.912 -4.628 767 HA ASN 106 HA ASN 106 5.487 11.674 -1.892 768 1HB ASN 106 1HB ASN 106 5.084 13.614 -4.118 769 2HB ASN 106 2HB ASN 106 6.005 13.777 -2.632 770 2HD2 ASN 106 2HD2 ASN 106 6.244 13.464 -5.889 771 1HD2 ASN 106 1HD2 ASN 106 7.869 12.888 -6.000 772 H ALA 107 H ALA 107 3.358 11.305 -4.640 773 HA ALA 107 HA ALA 107 1.199 12.871 -3.897 774 1HB ALA 107 1HB ALA 107 1.649 11.298 -5.975 775 2HB ALA 107 2HB ALA 107 0.013 11.764 -5.504 776 3HB ALA 107 3HB ALA 107 0.649 10.185 -5.043 777 H TRP 108 H TRP 108 1.908 9.517 -2.998 778 HA TRP 108 HA TRP 108 -0.375 9.358 -1.262 779 1HB TRP 108 1HB TRP 108 1.948 7.453 -1.608 780 2HB TRP 108 2HB TRP 108 0.444 7.103 -0.756 781 HD1 TRP 108 HD1 TRP 108 -1.809 6.937 -2.292 782 HE1 TRP 108 HE1 TRP 108 -2.104 6.270 -4.761 783 HE3 TRP 108 HE3 TRP 108 3.015 7.518 -3.872 784 HZ2 TRP 108 HZ2 TRP 108 -0.501 6.018 -7.082 785 HZ3 TRP 108 HZ3 TRP 108 3.552 7.049 -6.223 786 HH2 TRP 108 HH2 TRP 108 1.832 6.312 -7.793 787 H VAL 109 H VAL 109 -0.462 9.574 0.873 788 HA VAL 109 HA VAL 109 1.611 11.019 2.196 789 HB VAL 109 HB VAL 109 -0.617 9.929 3.707 790 1HG1 VAL 109 1HG1 VAL 109 0.951 11.436 4.772 791 2HG1 VAL 109 2HG1 VAL 109 0.631 12.658 3.541 792 3HG1 VAL 109 3HG1 VAL 109 -0.641 12.189 4.669 793 1HG2 VAL 109 1HG2 VAL 109 -0.940 11.543 1.276 794 2HG2 VAL 109 2HG2 VAL 109 -2.082 10.464 2.077 795 3HG2 VAL 109 3HG2 VAL 109 -1.841 12.101 2.685 796 H ALA 110 H ALA 110 0.866 7.671 2.036 797 HA ALA 110 HA ALA 110 1.893 6.995 4.621 798 1HB ALA 110 1HB ALA 110 1.682 5.137 2.262 799 2HB ALA 110 2HB ALA 110 1.648 4.730 3.978 800 3HB ALA 110 3HB ALA 110 0.292 5.591 3.248 801 H TRP 111 H TRP 111 3.221 7.441 1.448 802 HA TRP 111 HA TRP 111 5.777 6.292 2.171 803 1HB TRP 111 1HB TRP 111 5.024 6.123 -0.155 804 2HB TRP 111 2HB TRP 111 4.970 7.872 -0.284 805 HD1 TRP 111 HD1 TRP 111 7.361 4.940 -0.402 806 HE1 TRP 111 HE1 TRP 111 9.686 5.770 -1.129 807 HE3 TRP 111 HE3 TRP 111 6.542 9.981 -0.147 808 HZ2 TRP 111 HZ2 TRP 111 11.000 8.234 -1.539 809 HZ3 TRP 111 HZ3 TRP 111 8.386 11.505 -0.723 810 HH2 TRP 111 HH2 TRP 111 10.568 10.648 -1.404 811 H ARG 112 H ARG 112 4.251 9.462 1.980 812 HA ARG 112 HA ARG 112 6.750 10.792 2.671 813 1HB ARG 112 1HB ARG 112 4.095 11.606 1.671 814 2HB ARG 112 2HB ARG 112 4.899 12.739 2.747 815 1HG ARG 112 1HG ARG 112 6.932 12.406 1.175 816 2HG ARG 112 2HG ARG 112 5.729 11.793 0.038 817 1HD ARG 112 1HD ARG 112 6.239 14.229 -0.196 818 2HD ARG 112 2HD ARG 112 4.537 13.857 0.070 819 HE ARG 112 HE ARG 112 4.686 14.788 2.211 820 1HH1 ARG 112 1HH1 ARG 112 7.747 14.868 0.548 821 2HH1 ARG 112 2HH1 ARG 112 8.454 16.015 1.636 822 1HH2 ARG 112 1HH2 ARG 112 5.608 16.298 3.648 823 2HH2 ARG 112 2HH2 ARG 112 7.239 16.827 3.398 824 H ASN 113 H ASN 113 6.035 9.053 4.608 825 HA ASN 113 HA ASN 113 5.573 10.821 6.845 826 1HB ASN 113 1HB ASN 113 3.449 9.169 5.830 827 2HB ASN 113 2HB ASN 113 3.899 8.630 7.444 828 2HD2 ASN 113 2HD2 ASN 113 3.039 9.662 9.098 829 1HD2 ASN 113 1HD2 ASN 113 2.279 11.211 9.041 830 H ARG 114 H ARG 114 5.611 7.352 6.067 831 HA ARG 114 HA ARG 114 7.569 6.978 8.232 832 1HB ARG 114 1HB ARG 114 5.298 5.354 7.232 833 2HB ARG 114 2HB ARG 114 6.719 4.485 7.784 834 1HG ARG 114 1HG ARG 114 5.963 4.672 9.855 835 2HG ARG 114 2HG ARG 114 6.199 6.417 9.743 836 1HD ARG 114 1HD ARG 114 3.855 6.163 8.437 837 2HD ARG 114 2HD ARG 114 3.727 4.818 9.569 838 HE ARG 114 HE ARG 114 4.553 7.177 10.903 839 1HH1 ARG 114 1HH1 ARG 114 1.760 5.655 9.480 840 2HH1 ARG 114 2HH1 ARG 114 0.630 6.482 10.498 841 1HH2 ARG 114 1HH2 ARG 114 3.072 8.270 12.249 842 2HH2 ARG 114 2HH2 ARG 114 1.376 7.969 12.072 843 H CYS 115 H CYS 115 7.574 7.349 5.020 844 HA CYS 115 HA CYS 115 9.619 5.272 4.595 845 1HB CYS 115 1HB CYS 115 7.689 6.573 2.690 846 2HB CYS 115 2HB CYS 115 9.124 5.730 2.118 847 H LYS 116 H LYS 116 8.800 8.631 3.701 848 HA LYS 116 HA LYS 116 11.286 9.254 2.564 849 1HB LYS 116 1HB LYS 116 9.294 10.626 2.213 850 2HB LYS 116 2HB LYS 116 9.284 11.074 3.913 851 1HG LYS 116 1HG LYS 116 10.408 12.882 3.256 852 2HG LYS 116 2HG LYS 116 11.802 11.805 3.143 853 1HD LYS 116 1HD LYS 116 10.548 11.394 0.743 854 2HD LYS 116 2HD LYS 116 10.255 13.109 1.031 855 1HE LYS 116 1HE LYS 116 12.779 13.197 1.595 856 2HE LYS 116 2HE LYS 116 12.858 11.657 0.740 857 1HZ LYS 116 1HZ LYS 116 11.430 13.230 -0.940 858 2HZ LYS 116 2HZ LYS 116 12.563 14.314 -0.304 859 3HZ LYS 116 3HZ LYS 116 13.083 12.901 -1.077 860 H GLY 117 H GLY 117 12.969 8.518 3.861 861 1HA GLY 117 1HA GLY 117 13.224 9.799 6.503 862 2HA GLY 117 2HA GLY 117 14.528 9.918 5.334 863 H THR 118 H THR 118 13.311 6.945 4.770 864 HA THR 118 HA THR 118 15.041 5.693 6.797 865 HB THR 118 HB THR 118 13.646 3.643 6.497 866 HG1 THR 118 HG1 THR 118 12.761 4.723 4.396 867 1HG2 THR 118 1HG2 THR 118 13.257 5.604 8.210 868 2HG2 THR 118 2HG2 THR 118 11.769 5.820 7.290 869 3HG2 THR 118 3HG2 THR 118 12.101 4.278 8.078 870 H ASP 119 H ASP 119 14.727 3.088 5.422 871 HA ASP 119 HA ASP 119 16.340 3.588 3.028 872 1HB ASP 119 1HB ASP 119 17.509 2.755 5.196 873 2HB ASP 119 2HB ASP 119 16.889 1.217 4.641 874 H VAL 120 H VAL 120 14.827 3.145 1.517 875 HA VAL 120 HA VAL 120 13.014 0.966 1.668 876 HB VAL 120 HB VAL 120 12.527 1.488 -0.710 877 1HG1 VAL 120 1HG1 VAL 120 11.649 2.773 1.382 878 2HG1 VAL 120 2HG1 VAL 120 12.617 4.098 0.736 879 3HG1 VAL 120 3HG1 VAL 120 11.324 3.396 -0.236 880 1HG2 VAL 120 1HG2 VAL 120 14.902 3.271 -0.354 881 2HG2 VAL 120 2HG2 VAL 120 14.512 2.181 -1.683 882 3HG2 VAL 120 3HG2 VAL 120 13.633 3.698 -1.500 883 H GLN 121 H GLN 121 16.166 1.476 0.199 884 HA GLN 121 HA GLN 121 16.262 -0.801 -1.432 885 1HB GLN 121 1HB GLN 121 18.318 0.929 -0.115 886 2HB GLN 121 2HB GLN 121 18.830 -0.590 -0.837 887 1HG GLN 121 1HG GLN 121 18.401 0.112 -2.964 888 2HG GLN 121 2HG GLN 121 17.142 1.237 -2.458 889 2HE2 GLN 121 2HE2 GLN 121 17.664 3.313 -2.001 890 1HE2 GLN 121 1HE2 GLN 121 19.252 3.972 -2.174 891 H ALA 122 H ALA 122 16.401 -0.383 1.964 892 HA ALA 122 HA ALA 122 17.507 -3.026 2.466 893 1HB ALA 122 1HB ALA 122 18.020 -0.925 3.845 894 2HB ALA 122 2HB ALA 122 17.662 -2.415 4.717 895 3HB ALA 122 3HB ALA 122 16.425 -1.168 4.559 896 H TRP 123 H TRP 123 14.449 -1.436 2.187 897 HA TRP 123 HA TRP 123 12.860 -3.104 3.793 898 1HB TRP 123 1HB TRP 123 12.366 -1.282 1.499 899 2HB TRP 123 2HB TRP 123 11.104 -2.447 1.884 900 HD1 TRP 123 HD1 TRP 123 11.628 0.961 2.474 901 HE1 TRP 123 HE1 TRP 123 10.692 1.771 4.731 902 HE3 TRP 123 HE3 TRP 123 11.103 -3.527 4.833 903 HZ2 TRP 123 HZ2 TRP 123 9.855 0.621 7.159 904 HZ3 TRP 123 HZ3 TRP 123 10.231 -3.594 7.113 905 HH2 TRP 123 HH2 TRP 123 9.613 -1.539 8.265 906 H ILE 124 H ILE 124 14.523 -3.793 0.909 907 HA ILE 124 HA ILE 124 13.007 -6.304 0.618 908 HB ILE 124 HB ILE 124 13.756 -6.230 -1.818 909 1HG1 ILE 124 1HG1 ILE 124 13.731 -3.263 -1.610 910 2HG1 ILE 124 2HG1 ILE 124 15.206 -4.086 -1.114 911 1HG2 ILE 124 1HG2 ILE 124 11.660 -4.388 -0.702 912 2HG2 ILE 124 2HG2 ILE 124 11.835 -4.705 -2.428 913 3HG2 ILE 124 3HG2 ILE 124 11.457 -6.026 -1.323 914 1HD1 ILE 124 1HD1 ILE 124 14.104 -4.971 -3.682 915 2HD1 ILE 124 2HD1 ILE 124 14.663 -3.299 -3.636 916 3HD1 ILE 124 3HD1 ILE 124 15.766 -4.608 -3.217 917 H ARG 125 H ARG 125 15.621 -5.307 1.931 918 HA ARG 125 HA ARG 125 17.748 -6.639 0.602 919 1HB ARG 125 1HB ARG 125 17.865 -4.779 2.386 920 2HB ARG 125 2HB ARG 125 17.688 -6.080 3.556 921 1HG ARG 125 1HG ARG 125 19.851 -6.513 3.439 922 2HG ARG 125 2HG ARG 125 19.725 -6.798 1.702 923 1HD ARG 125 1HD ARG 125 19.619 -4.054 1.898 924 2HD ARG 125 2HD ARG 125 20.773 -4.499 3.154 925 HE ARG 125 HE ARG 125 21.880 -5.820 1.267 926 1HH1 ARG 125 1HH1 ARG 125 20.141 -2.835 0.812 927 2HH1 ARG 125 2HH1 ARG 125 21.047 -2.371 -0.589 928 1HH2 ARG 125 1HH2 ARG 125 23.078 -5.217 -0.577 929 2HH2 ARG 125 2HH2 ARG 125 22.716 -3.726 -1.379 930 H GLY 126 H GLY 126 17.127 -8.747 0.136 931 1HA GLY 126 1HA GLY 126 16.665 -10.495 2.471 932 2HA GLY 126 2HA GLY 126 17.849 -10.915 1.244 933 H CYS 127 H CYS 127 15.230 -9.365 -0.155 934 HA CYS 127 HA CYS 127 13.425 -11.533 -0.357 935 1HB CYS 127 1HB CYS 127 13.658 -8.868 -1.496 936 2HB CYS 127 2HB CYS 127 12.682 -10.002 -2.406 937 H ARG 128 H ARG 128 12.693 -11.948 -2.852 938 HA ARG 128 HA ARG 128 15.085 -12.676 -4.385 939 1HB ARG 128 1HB ARG 128 12.920 -14.516 -3.424 940 2HB ARG 128 2HB ARG 128 13.773 -14.865 -4.922 941 1HG ARG 128 1HG ARG 128 15.651 -15.489 -3.862 942 2HG ARG 128 2HG ARG 128 15.492 -14.242 -2.623 943 1HD ARG 128 1HD ARG 128 14.181 -15.557 -1.275 944 2HD ARG 128 2HD ARG 128 13.563 -16.509 -2.624 945 HE ARG 128 HE ARG 128 16.079 -17.300 -2.623 946 1HH1 ARG 128 1HH1 ARG 128 13.932 -16.789 0.073 947 2HH1 ARG 128 2HH1 ARG 128 14.686 -17.992 1.067 948 1HH2 ARG 128 1HH2 ARG 128 17.076 -18.885 -1.323 949 2HH2 ARG 128 2HH2 ARG 128 16.472 -19.183 0.273 950 H LEU 129 H LEU 129 14.677 -11.135 -5.937 951 HA LEU 129 HA LEU 129 12.506 -11.766 -7.772 952 1HB LEU 129 1HB LEU 129 11.960 -9.300 -7.958 953 2HB LEU 129 2HB LEU 129 11.392 -10.120 -6.515 954 HG LEU 129 HG LEU 129 14.010 -8.925 -6.113 955 1HD1 LEU 129 1HD1 LEU 129 12.086 -7.383 -7.596 956 2HD1 LEU 129 2HD1 LEU 129 12.390 -6.655 -6.018 957 3HD1 LEU 129 3HD1 LEU 129 13.732 -6.967 -7.119 958 1HD2 LEU 129 1HD2 LEU 129 11.317 -8.702 -4.783 959 2HD2 LEU 129 2HD2 LEU 129 12.695 -9.673 -4.268 960 3HD2 LEU 129 3HD2 LEU 129 12.777 -7.913 -4.187 No H/Q in entry = 960 Start of MODEL 48 1 H1 LYS 1 H1 LYS 1 -6.785 -9.831 2.242 2 H2 LYS 1 H2 LYS 1 -7.800 -10.574 1.112 3 H3 LYS 1 H3 LYS 1 -7.424 -11.365 2.558 4 HA LYS 1 HA LYS 1 -5.414 -12.049 1.865 5 1HB LYS 1 1HB LYS 1 -7.396 -12.381 0.059 6 2HB LYS 1 2HB LYS 1 -6.223 -11.532 -0.939 7 1HG LYS 1 1HG LYS 1 -5.165 -13.771 0.653 8 2HG LYS 1 2HG LYS 1 -6.286 -14.199 -0.640 9 1HD LYS 1 1HD LYS 1 -4.606 -12.332 -1.805 10 2HD LYS 1 2HD LYS 1 -3.529 -13.295 -0.790 11 1HE LYS 1 1HE LYS 1 -3.770 -14.166 -3.105 12 2HE LYS 1 2HE LYS 1 -4.237 -15.321 -1.858 13 1HZ LYS 1 1HZ LYS 1 -6.349 -13.630 -2.943 14 2HZ LYS 1 2HZ LYS 1 -5.733 -14.826 -3.969 15 3HZ LYS 1 3HZ LYS 1 -6.397 -15.255 -2.473 16 H VAL 2 H VAL 2 -3.751 -10.699 2.377 17 HA VAL 2 HA VAL 2 -3.184 -8.394 0.678 18 HB VAL 2 HB VAL 2 -1.969 -9.345 3.272 19 1HG1 VAL 2 1HG1 VAL 2 -0.516 -8.043 1.394 20 2HG1 VAL 2 2HG1 VAL 2 -1.226 -6.683 2.260 21 3HG1 VAL 2 3HG1 VAL 2 -0.261 -7.874 3.131 22 1HG2 VAL 2 1HG2 VAL 2 -4.157 -7.643 2.616 23 2HG2 VAL 2 2HG2 VAL 2 -3.542 -8.090 4.207 24 3HG2 VAL 2 3HG2 VAL 2 -2.891 -6.678 3.375 25 H PHE 3 H PHE 3 -1.269 -8.135 -0.489 26 HA PHE 3 HA PHE 3 -0.127 -10.433 -1.650 27 1HB PHE 3 1HB PHE 3 0.476 -7.498 -1.696 28 2HB PHE 3 2HB PHE 3 1.666 -8.621 -2.329 29 HD1 PHE 3 HD1 PHE 3 1.120 -10.019 -4.282 30 HD2 PHE 3 HD2 PHE 3 -1.484 -6.965 -2.880 31 HE1 PHE 3 HE1 PHE 3 -0.038 -10.019 -6.447 32 HE2 PHE 3 HE2 PHE 3 -2.646 -6.953 -5.042 33 HZ PHE 3 HZ PHE 3 -1.926 -8.485 -6.833 34 H GLY 4 H GLY 4 2.189 -10.904 -1.631 35 1HA GLY 4 1HA GLY 4 3.870 -11.861 -0.303 36 2HA GLY 4 2HA GLY 4 3.200 -11.023 1.094 37 H ARG 5 H ARG 5 5.424 -10.410 1.608 38 HA ARG 5 HA ARG 5 6.029 -7.803 0.865 39 1HB ARG 5 1HB ARG 5 7.161 -9.783 2.570 40 2HB ARG 5 2HB ARG 5 8.460 -9.111 1.594 41 1HG ARG 5 1HG ARG 5 8.349 -7.090 2.591 42 2HG ARG 5 2HG ARG 5 6.599 -7.168 2.805 43 1HD ARG 5 1HD ARG 5 7.709 -7.233 4.959 44 2HD ARG 5 2HD ARG 5 6.912 -8.773 4.639 45 HE ARG 5 HE ARG 5 8.966 -9.796 4.608 46 1HH1 ARG 5 1HH1 ARG 5 9.394 -6.341 4.459 47 2HH1 ARG 5 2HH1 ARG 5 11.110 -6.415 4.687 48 1HH2 ARG 5 1HH2 ARG 5 11.224 -9.902 4.908 49 2HH2 ARG 5 2HH2 ARG 5 12.150 -8.439 4.941 50 H CYS 6 H CYS 6 7.912 -10.684 -0.098 51 HA CYS 6 HA CYS 6 9.075 -9.154 -2.249 52 1HB CYS 6 1HB CYS 6 9.406 -12.116 -1.957 53 2HB CYS 6 2HB CYS 6 10.517 -10.917 -2.613 54 H GLU 7 H GLU 7 6.640 -11.660 -1.853 55 HA GLU 7 HA GLU 7 6.282 -12.505 -4.450 56 1HB GLU 7 1HB GLU 7 4.742 -12.536 -2.062 57 2HB GLU 7 2HB GLU 7 3.691 -11.946 -3.342 58 1HG GLU 7 1HG GLU 7 5.324 -14.351 -3.909 59 2HG GLU 7 2HG GLU 7 3.966 -14.522 -2.798 60 H LEU 8 H LEU 8 4.918 -9.661 -2.877 61 HA LEU 8 HA LEU 8 3.654 -8.552 -5.121 62 1HB LEU 8 1HB LEU 8 3.131 -7.834 -2.864 63 2HB LEU 8 2HB LEU 8 4.769 -7.275 -2.621 64 HG LEU 8 HG LEU 8 2.851 -5.574 -3.090 65 1HD1 LEU 8 1HD1 LEU 8 5.198 -4.986 -2.828 66 2HD1 LEU 8 2HD1 LEU 8 5.500 -5.401 -4.515 67 3HD1 LEU 8 3HD1 LEU 8 4.445 -4.045 -4.116 68 1HD2 LEU 8 1HD2 LEU 8 2.336 -6.919 -5.273 69 2HD2 LEU 8 2HD2 LEU 8 2.222 -5.158 -5.257 70 3HD2 LEU 8 3HD2 LEU 8 3.647 -5.945 -5.938 71 H ALA 9 H ALA 9 6.913 -8.059 -3.731 72 HA ALA 9 HA ALA 9 7.722 -6.024 -5.480 73 1HB ALA 9 1HB ALA 9 9.028 -7.822 -3.603 74 2HB ALA 9 2HB ALA 9 9.310 -6.112 -3.932 75 3HB ALA 9 3HB ALA 9 10.052 -7.342 -4.956 76 H ALA 10 H ALA 10 8.326 -9.539 -5.765 77 HA ALA 10 HA ALA 10 9.727 -9.552 -8.128 78 1HB ALA 10 1HB ALA 10 9.373 -11.803 -8.179 79 2HB ALA 10 2HB ALA 10 7.660 -11.655 -7.783 80 3HB ALA 10 3HB ALA 10 8.876 -11.488 -6.516 81 H ALA 11 H ALA 11 6.245 -9.344 -7.597 82 HA ALA 11 HA ALA 11 5.529 -9.484 -10.321 83 1HB ALA 11 1HB ALA 11 3.952 -8.173 -8.133 84 2HB ALA 11 2HB ALA 11 3.974 -9.914 -8.418 85 3HB ALA 11 3HB ALA 11 3.335 -8.825 -9.651 86 H MET 12 H MET 12 6.312 -6.931 -8.173 87 HA MET 12 HA MET 12 5.603 -4.733 -9.784 88 1HB MET 12 1HB MET 12 7.954 -4.761 -7.907 89 2HB MET 12 2HB MET 12 6.967 -3.394 -8.362 90 1HG MET 12 1HG MET 12 5.517 -5.589 -7.082 91 2HG MET 12 2HG MET 12 6.693 -4.765 -6.063 92 1HE MET 12 1HE MET 12 6.385 -1.961 -7.906 93 2HE MET 12 2HE MET 12 5.365 -1.013 -6.824 94 3HE MET 12 3HE MET 12 6.733 -1.920 -6.176 95 H LYS 13 H LYS 13 8.718 -6.399 -9.389 96 HA LYS 13 HA LYS 13 10.251 -4.916 -11.148 97 1HB LYS 13 1HB LYS 13 10.716 -7.109 -9.638 98 2HB LYS 13 2HB LYS 13 10.643 -7.855 -11.229 99 1HG LYS 13 1HG LYS 13 12.287 -5.873 -11.834 100 2HG LYS 13 2HG LYS 13 12.633 -5.965 -10.105 101 1HD LYS 13 1HD LYS 13 13.447 -8.137 -10.258 102 2HD LYS 13 2HD LYS 13 12.616 -8.445 -11.784 103 1HE LYS 13 1HE LYS 13 14.849 -6.447 -11.504 104 2HE LYS 13 2HE LYS 13 15.123 -8.138 -11.919 105 1HZ LYS 13 1HZ LYS 13 13.106 -6.918 -13.543 106 2HZ LYS 13 2HZ LYS 13 14.596 -6.128 -13.675 107 3HZ LYS 13 3HZ LYS 13 14.483 -7.783 -14.005 108 H ARG 14 H ARG 14 8.115 -7.656 -11.774 109 HA ARG 14 HA ARG 14 8.608 -7.810 -14.552 110 1HB ARG 14 1HB ARG 14 6.184 -8.666 -12.954 111 2HB ARG 14 2HB ARG 14 6.498 -9.116 -14.625 112 1HG ARG 14 1HG ARG 14 8.555 -9.731 -12.564 113 2HG ARG 14 2HG ARG 14 7.101 -10.728 -12.653 114 1HD ARG 14 1HD ARG 14 8.582 -10.139 -15.167 115 2HD ARG 14 2HD ARG 14 9.266 -11.315 -14.046 116 HE ARG 14 HE ARG 14 7.214 -12.600 -14.293 117 1HH1 ARG 14 1HH1 ARG 14 7.820 -10.100 -16.643 118 2HH1 ARG 14 2HH1 ARG 14 6.800 -10.810 -17.850 119 1HH2 ARG 14 1HH2 ARG 14 5.870 -13.540 -15.876 120 2HH2 ARG 14 2HH2 ARG 14 5.691 -12.765 -17.413 121 H HIS 15 H HIS 15 6.287 -6.017 -12.572 122 HA HIS 15 HA HIS 15 4.812 -5.014 -14.780 123 1HB HIS 15 1HB HIS 15 4.945 -4.318 -11.855 124 2HB HIS 15 2HB HIS 15 3.922 -3.428 -12.979 125 HD1 HIS 15 HD1 HIS 15 2.112 -4.454 -11.163 126 HD2 HIS 15 HD2 HIS 15 3.772 -7.071 -13.931 127 HE1 HIS 15 HE1 HIS 15 0.571 -6.435 -11.221 128 HE2 HIS 15 HE2 HIS 15 1.546 -7.970 -12.965 129 H GLY 16 H GLY 16 7.929 -4.236 -13.731 130 1HA GLY 16 1HA GLY 16 7.907 -1.923 -15.392 131 2HA GLY 16 2HA GLY 16 9.287 -2.628 -14.582 132 H LEU 17 H LEU 17 7.761 -2.333 -11.867 133 HA LEU 17 HA LEU 17 7.620 0.540 -11.711 134 1HB LEU 17 1HB LEU 17 7.628 -1.241 -9.310 135 2HB LEU 17 2HB LEU 17 6.851 0.313 -9.516 136 HG LEU 17 HG LEU 17 5.859 -2.380 -10.082 137 1HD1 LEU 17 1HD1 LEU 17 5.061 -0.166 -8.655 138 2HD1 LEU 17 2HD1 LEU 17 3.975 -0.162 -10.045 139 3HD1 LEU 17 3HD1 LEU 17 4.073 -1.584 -9.005 140 1HD2 LEU 17 1HD2 LEU 17 5.585 -0.205 -12.128 141 2HD2 LEU 17 2HD2 LEU 17 5.903 -1.923 -12.365 142 3HD2 LEU 17 3HD2 LEU 17 4.295 -1.382 -11.886 143 H ASP 18 H ASP 18 10.028 -1.640 -11.720 144 HA ASP 18 HA ASP 18 11.790 -0.440 -9.788 145 1HB ASP 18 1HB ASP 18 12.182 -2.748 -10.251 146 2HB ASP 18 2HB ASP 18 12.214 -2.467 -11.987 147 H ASN 19 H ASN 19 11.865 1.720 -10.307 148 HA ASN 19 HA ASN 19 12.995 3.532 -11.163 149 1HB ASN 19 1HB ASN 19 13.844 1.731 -13.448 150 2HB ASN 19 2HB ASN 19 14.425 3.364 -13.143 151 2HD2 ASN 19 2HD2 ASN 19 15.449 3.693 -10.983 152 1HD2 ASN 19 1HD2 ASN 19 16.465 2.427 -10.388 153 H TYR 20 H TYR 20 10.330 2.905 -11.433 154 HA TYR 20 HA TYR 20 9.530 3.543 -14.165 155 1HB TYR 20 1HB TYR 20 8.335 1.831 -12.729 156 2HB TYR 20 2HB TYR 20 7.705 3.181 -11.792 157 HD1 TYR 20 HD1 TYR 20 7.778 1.697 -15.190 158 HD2 TYR 20 HD2 TYR 20 5.831 4.401 -12.544 159 HE1 TYR 20 HE1 TYR 20 5.943 1.952 -16.808 160 HE2 TYR 20 HE2 TYR 20 3.991 4.661 -14.154 161 HH TYR 20 HH TYR 20 3.691 4.399 -16.666 162 H ARG 21 H ARG 21 9.143 5.533 -14.856 163 HA ARG 21 HA ARG 21 8.825 7.790 -14.875 164 1HB ARG 21 1HB ARG 21 7.002 6.767 -12.860 165 2HB ARG 21 2HB ARG 21 7.552 8.388 -12.452 166 1HG ARG 21 1HG ARG 21 5.498 8.481 -13.725 167 2HG ARG 21 2HG ARG 21 6.826 9.183 -14.652 168 1HD ARG 21 1HD ARG 21 6.900 6.549 -15.408 169 2HD ARG 21 2HD ARG 21 5.171 6.839 -15.212 170 HE ARG 21 HE ARG 21 5.332 8.566 -16.869 171 1HH1 ARG 21 1HH1 ARG 21 8.178 6.586 -16.513 172 2HH1 ARG 21 2HH1 ARG 21 8.810 6.990 -18.074 173 1HH2 ARG 21 1HH2 ARG 21 6.158 9.104 -18.924 174 2HH2 ARG 21 2HH2 ARG 21 7.663 8.421 -19.444 175 H GLY 22 H GLY 22 10.941 6.315 -13.356 176 1HA GLY 22 1HA GLY 22 12.134 8.685 -12.120 177 2HA GLY 22 2HA GLY 22 13.008 7.277 -12.692 178 H TYR 23 H TYR 23 10.524 5.907 -10.985 179 HA TYR 23 HA TYR 23 12.040 6.179 -8.491 180 1HB TYR 23 1HB TYR 23 9.145 5.942 -9.020 181 2HB TYR 23 2HB TYR 23 9.760 5.120 -7.585 182 HD1 TYR 23 HD1 TYR 23 11.506 6.649 -6.205 183 HD2 TYR 23 HD2 TYR 23 8.391 8.105 -8.711 184 HE1 TYR 23 HE1 TYR 23 11.534 8.783 -4.986 185 HE2 TYR 23 HE2 TYR 23 8.411 10.243 -7.496 186 HH TYR 23 HH TYR 23 10.710 11.381 -5.807 187 H SER 24 H SER 24 13.064 4.554 -7.646 188 HA SER 24 HA SER 24 13.187 2.062 -9.019 189 1HB SER 24 1HB SER 24 14.888 1.465 -7.408 190 2HB SER 24 2HB SER 24 15.141 3.143 -7.892 191 HG SER 24 HG SER 24 13.483 2.965 -5.758 192 H LEU 25 H LEU 25 12.917 -0.001 -8.002 193 HA LEU 25 HA LEU 25 10.414 -0.608 -7.185 194 1HB LEU 25 1HB LEU 25 13.013 -1.925 -7.083 195 2HB LEU 25 2HB LEU 25 11.897 -2.509 -5.863 196 HG LEU 25 HG LEU 25 11.326 -2.421 -8.824 197 1HD1 LEU 25 1HD1 LEU 25 13.018 -4.142 -7.554 198 2HD1 LEU 25 2HD1 LEU 25 11.485 -5.008 -7.473 199 3HD1 LEU 25 3HD1 LEU 25 12.127 -4.498 -9.034 200 1HD2 LEU 25 1HD2 LEU 25 9.591 -2.561 -6.624 201 2HD2 LEU 25 2HD2 LEU 25 9.209 -2.851 -8.321 202 3HD2 LEU 25 3HD2 LEU 25 9.685 -4.195 -7.282 203 H GLY 26 H GLY 26 13.156 -0.270 -4.911 204 1HA GLY 26 1HA GLY 26 13.190 0.485 -2.737 205 2HA GLY 26 2HA GLY 26 11.941 -0.728 -2.535 206 H ASN 27 H ASN 27 11.700 2.304 -4.355 207 HA ASN 27 HA ASN 27 10.368 3.747 -2.317 208 1HB ASN 27 1HB ASN 27 10.278 4.203 -5.302 209 2HB ASN 27 2HB ASN 27 9.854 5.374 -4.058 210 2HD2 ASN 27 2HD2 ASN 27 12.145 4.657 -6.189 211 1HD2 ASN 27 1HD2 ASN 27 13.544 5.261 -5.375 212 H TRP 28 H TRP 28 9.252 1.634 -4.860 213 HA TRP 28 HA TRP 28 6.479 2.311 -4.567 214 1HB TRP 28 1HB TRP 28 7.775 -0.022 -5.971 215 2HB TRP 28 2HB TRP 28 6.085 0.461 -6.117 216 HD1 TRP 28 HD1 TRP 28 9.564 1.379 -7.278 217 HE1 TRP 28 HE1 TRP 28 9.402 3.203 -9.074 218 HE3 TRP 28 HE3 TRP 28 4.589 2.416 -6.912 219 HZ2 TRP 28 HZ2 TRP 28 7.449 4.879 -10.209 220 HZ3 TRP 28 HZ3 TRP 28 3.609 4.123 -8.377 221 HH2 TRP 28 HH2 TRP 28 5.014 5.341 -10.004 222 H VAL 29 H VAL 29 8.637 -0.160 -3.267 223 HA VAL 29 HA VAL 29 6.573 -1.791 -2.214 224 HB VAL 29 HB VAL 29 9.477 -1.562 -1.414 225 1HG1 VAL 29 1HG1 VAL 29 7.415 -3.655 -0.739 226 2HG1 VAL 29 2HG1 VAL 29 9.149 -3.832 -0.462 227 3HG1 VAL 29 3HG1 VAL 29 8.245 -2.574 0.382 228 1HG2 VAL 29 1HG2 VAL 29 8.087 -3.487 -3.273 229 2HG2 VAL 29 2HG2 VAL 29 9.200 -2.202 -3.742 230 3HG2 VAL 29 3HG2 VAL 29 9.782 -3.570 -2.792 231 H CYS 30 H CYS 30 8.731 0.631 -0.759 232 HA CYS 30 HA CYS 30 7.694 0.470 1.834 233 1HB CYS 30 1HB CYS 30 9.822 1.638 1.072 234 2HB CYS 30 2HB CYS 30 8.798 2.985 0.589 235 H ALA 31 H ALA 31 6.796 2.604 -0.881 236 HA ALA 31 HA ALA 31 4.891 4.127 0.491 237 1HB ALA 31 1HB ALA 31 5.504 3.556 -2.351 238 2HB ALA 31 2HB ALA 31 5.382 5.097 -1.503 239 3HB ALA 31 3HB ALA 31 3.918 4.237 -1.984 240 H ALA 32 H ALA 32 4.526 1.158 -1.423 241 HA ALA 32 HA ALA 32 1.718 0.979 -1.132 242 1HB ALA 32 1HB ALA 32 2.356 -0.319 -2.874 243 2HB ALA 32 2HB ALA 32 2.368 -1.563 -1.623 244 3HB ALA 32 3HB ALA 32 3.875 -0.789 -2.111 245 H LYS 33 H LYS 33 4.405 -0.523 0.641 246 HA LYS 33 HA LYS 33 3.042 -2.245 2.277 247 1HB LYS 33 1HB LYS 33 5.520 -1.981 2.135 248 2HB LYS 33 2HB LYS 33 5.379 -0.533 3.123 249 1HG LYS 33 1HG LYS 33 4.046 -2.785 4.349 250 2HG LYS 33 2HG LYS 33 5.744 -3.129 4.014 251 1HD LYS 33 1HD LYS 33 6.364 -1.882 5.747 252 2HD LYS 33 2HD LYS 33 5.520 -0.487 5.073 253 1HE LYS 33 1HE LYS 33 4.597 -0.855 7.222 254 2HE LYS 33 2HE LYS 33 3.405 -1.434 6.060 255 1HZ LYS 33 1HZ LYS 33 5.331 -3.384 7.053 256 2HZ LYS 33 2HZ LYS 33 4.161 -2.850 8.150 257 3HZ LYS 33 3HZ LYS 33 3.689 -3.571 6.694 258 H PHE 34 H PHE 34 3.861 1.138 3.083 259 HA PHE 34 HA PHE 34 2.249 1.044 5.419 260 1HB PHE 34 1HB PHE 34 3.947 3.017 4.135 261 2HB PHE 34 2HB PHE 34 2.688 3.663 5.167 262 HD1 PHE 34 HD1 PHE 34 2.576 2.793 7.557 263 HD2 PHE 34 HD2 PHE 34 5.936 2.198 5.015 264 HE1 PHE 34 HE1 PHE 34 3.980 2.339 9.527 265 HE2 PHE 34 HE2 PHE 34 7.346 1.741 6.980 266 HZ PHE 34 HZ PHE 34 6.369 1.812 9.239 267 H GLU 35 H GLU 35 1.662 1.957 2.139 268 HA GLU 35 HA GLU 35 -0.546 3.640 2.557 269 1HB GLU 35 1HB GLU 35 0.762 2.293 0.336 270 2HB GLU 35 2HB GLU 35 -0.983 2.347 0.137 271 1HG GLU 35 1HG GLU 35 -1.033 4.668 0.098 272 2HG GLU 35 2HG GLU 35 0.551 4.810 0.860 273 H SER 36 H SER 36 -0.428 0.203 1.655 274 HA SER 36 HA SER 36 -3.097 -0.129 2.865 275 1HB SER 36 1HB SER 36 -3.625 -1.689 0.961 276 2HB SER 36 2HB SER 36 -3.437 -0.001 0.483 277 HG SER 36 HG SER 36 -1.471 -2.037 0.267 278 H ASN 37 H ASN 37 0.015 -1.076 3.105 279 HA ASN 37 HA ASN 37 1.077 -2.863 4.056 280 1HB ASN 37 1HB ASN 37 -1.586 -2.851 5.223 281 2HB ASN 37 2HB ASN 37 -0.939 -4.485 5.118 282 2HD2 ASN 37 2HD2 ASN 37 -1.181 -1.894 7.064 283 1HD2 ASN 37 1HD2 ASN 37 0.216 -2.124 8.054 284 H PHE 38 H PHE 38 -0.021 -2.907 1.361 285 HA PHE 38 HA PHE 38 -0.022 -4.199 -0.451 286 1HB PHE 38 1HB PHE 38 0.896 -6.403 1.410 287 2HB PHE 38 2HB PHE 38 0.944 -6.445 -0.349 288 HD1 PHE 38 HD1 PHE 38 2.116 -4.245 -1.380 289 HD2 PHE 38 HD2 PHE 38 2.891 -5.932 2.449 290 HE1 PHE 38 HE1 PHE 38 4.327 -3.170 -1.362 291 HE2 PHE 38 HE2 PHE 38 5.106 -4.861 2.474 292 HZ PHE 38 HZ PHE 38 5.828 -3.481 0.567 293 H ASN 39 H ASN 39 -2.358 -3.958 1.398 294 HA ASN 39 HA ASN 39 -3.770 -6.454 1.042 295 1HB ASN 39 1HB ASN 39 -4.169 -5.069 3.046 296 2HB ASN 39 2HB ASN 39 -4.775 -3.774 2.021 297 2HD2 ASN 39 2HD2 ASN 39 -6.640 -4.070 3.491 298 1HD2 ASN 39 1HD2 ASN 39 -7.843 -5.226 3.044 299 H THR 40 H THR 40 -4.527 -6.979 -0.854 300 HA THR 40 HA THR 40 -4.741 -5.255 -3.046 301 HB THR 40 HB THR 40 -5.334 -7.095 -4.272 302 HG1 THR 40 HG1 THR 40 -6.584 -8.638 -2.359 303 1HG2 THR 40 1HG2 THR 40 -3.654 -7.686 -2.116 304 2HG2 THR 40 2HG2 THR 40 -4.752 -9.059 -2.258 305 3HG2 THR 40 3HG2 THR 40 -3.784 -8.558 -3.644 306 H GLN 41 H GLN 41 -6.824 -5.919 -0.446 307 HA GLN 41 HA GLN 41 -9.105 -4.713 -1.829 308 1HB GLN 41 1HB GLN 41 -8.746 -6.822 0.197 309 2HB GLN 41 2HB GLN 41 -10.122 -5.778 0.421 310 1HG GLN 41 1HG GLN 41 -10.586 -6.307 -2.087 311 2HG GLN 41 2HG GLN 41 -9.531 -7.685 -1.782 312 2HE2 GLN 41 2HE2 GLN 41 -10.780 -9.408 -1.610 313 1HE2 GLN 41 1HE2 GLN 41 -12.206 -9.533 -0.643 314 H ALA 42 H ALA 42 -6.670 -3.743 0.122 315 HA ALA 42 HA ALA 42 -7.886 -2.489 2.295 316 1HB ALA 42 1HB ALA 42 -5.303 -2.457 1.026 317 2HB ALA 42 2HB ALA 42 -5.733 -2.220 2.721 318 3HB ALA 42 3HB ALA 42 -5.753 -0.853 1.606 319 H THR 43 H THR 43 -9.196 -0.847 2.491 320 HA THR 43 HA THR 43 -9.291 1.209 0.380 321 HB THR 43 HB THR 43 -11.602 1.317 0.453 322 HG1 THR 43 HG1 THR 43 -12.154 1.550 2.534 323 1HG2 THR 43 1HG2 THR 43 -10.510 -1.223 0.161 324 2HG2 THR 43 2HG2 THR 43 -11.894 -1.461 1.228 325 3HG2 THR 43 3HG2 THR 43 -12.116 -0.704 -0.350 326 H ASN 44 H ASN 44 -9.044 3.297 1.118 327 HA ASN 44 HA ASN 44 -9.217 3.712 4.029 328 1HB ASN 44 1HB ASN 44 -7.197 4.926 2.132 329 2HB ASN 44 2HB ASN 44 -7.337 5.297 3.847 330 2HD2 ASN 44 2HD2 ASN 44 -6.369 4.010 5.296 331 1HD2 ASN 44 1HD2 ASN 44 -5.498 2.571 4.905 332 H ARG 45 H ARG 45 -11.089 4.792 4.238 333 HA ARG 45 HA ARG 45 -11.952 6.758 2.329 334 1HB ARG 45 1HB ARG 45 -13.407 5.205 3.801 335 2HB ARG 45 2HB ARG 45 -13.138 6.394 5.067 336 1HG ARG 45 1HG ARG 45 -14.803 7.606 4.270 337 2HG ARG 45 2HG ARG 45 -13.929 7.802 2.749 338 1HD ARG 45 1HD ARG 45 -16.112 6.872 2.311 339 2HD ARG 45 2HD ARG 45 -14.877 5.664 1.965 340 HE ARG 45 HE ARG 45 -15.555 5.080 4.498 341 1HH1 ARG 45 1HH1 ARG 45 -17.458 5.632 1.632 342 2HH1 ARG 45 2HH1 ARG 45 -18.740 4.577 2.123 343 1HH2 ARG 45 1HH2 ARG 45 -17.239 3.688 5.154 344 2HH2 ARG 45 2HH2 ARG 45 -18.616 3.472 4.125 345 H ASN 46 H ASN 46 -11.427 8.826 2.291 346 HA ASN 46 HA ASN 46 -9.946 9.990 4.505 347 1HB ASN 46 1HB ASN 46 -10.662 11.388 1.936 348 2HB ASN 46 2HB ASN 46 -9.304 11.701 3.012 349 2HD2 ASN 46 2HD2 ASN 46 -8.389 9.111 3.390 350 1HD2 ASN 46 1HD2 ASN 46 -7.752 8.521 1.897 351 H THR 47 H THR 47 -10.471 12.481 4.737 352 HA THR 47 HA THR 47 -13.266 12.583 5.601 353 HB THR 47 HB THR 47 -12.570 14.574 6.914 354 HG1 THR 47 HG1 THR 47 -10.814 15.357 5.825 355 1HG2 THR 47 1HG2 THR 47 -11.094 11.977 7.289 356 2HG2 THR 47 2HG2 THR 47 -10.991 13.295 8.457 357 3HG2 THR 47 3HG2 THR 47 -12.548 12.542 8.112 358 H ASP 48 H ASP 48 -11.886 13.228 2.825 359 HA ASP 48 HA ASP 48 -13.293 15.789 2.447 360 1HB ASP 48 1HB ASP 48 -11.744 16.378 0.730 361 2HB ASP 48 2HB ASP 48 -10.800 15.839 2.115 362 H GLY 49 H GLY 49 -13.648 12.601 1.949 363 1HA GLY 49 1HA GLY 49 -15.285 13.069 -0.460 364 2HA GLY 49 2HA GLY 49 -15.630 11.864 0.768 365 H SER 50 H SER 50 -12.383 12.301 -0.438 366 HA SER 50 HA SER 50 -12.614 10.238 -2.429 367 1HB SER 50 1HB SER 50 -9.999 10.472 -2.317 368 2HB SER 50 2HB SER 50 -10.974 11.752 -3.039 369 HG SER 50 HG SER 50 -9.792 12.872 -1.651 370 H THR 51 H THR 51 -11.169 8.334 -2.414 371 HA THR 51 HA THR 51 -10.620 7.268 0.263 372 HB THR 51 HB THR 51 -11.938 5.458 -1.718 373 HG1 THR 51 HG1 THR 51 -13.460 7.060 -1.624 374 1HG2 THR 51 1HG2 THR 51 -10.872 4.949 0.668 375 2HG2 THR 51 2HG2 THR 51 -12.483 5.432 1.199 376 3HG2 THR 51 3HG2 THR 51 -12.292 4.089 0.071 377 H ASP 52 H ASP 52 -9.455 5.091 0.070 378 HA ASP 52 HA ASP 52 -7.627 5.133 -2.245 379 1HB ASP 52 1HB ASP 52 -6.970 4.480 0.636 380 2HB ASP 52 2HB ASP 52 -5.850 4.345 -0.714 381 H TYR 53 H TYR 53 -8.976 3.623 -3.283 382 HA TYR 53 HA TYR 53 -9.182 0.989 -2.042 383 1HB TYR 53 1HB TYR 53 -10.287 1.925 -4.697 384 2HB TYR 53 2HB TYR 53 -10.654 0.411 -3.885 385 HD1 TYR 53 HD1 TYR 53 -11.702 0.674 -1.479 386 HD2 TYR 53 HD2 TYR 53 -11.757 3.687 -4.479 387 HE1 TYR 53 HE1 TYR 53 -13.646 1.713 -0.390 388 HE2 TYR 53 HE2 TYR 53 -13.704 4.733 -3.402 389 HH TYR 53 HH TYR 53 -15.528 3.193 -1.009 390 H GLY 54 H GLY 54 -6.830 0.498 -2.213 391 1HA GLY 54 1HA GLY 54 -5.650 0.426 -4.814 392 2HA GLY 54 2HA GLY 54 -6.203 -1.162 -4.309 393 H ILE 55 H ILE 55 -3.878 -1.705 -4.493 394 HA ILE 55 HA ILE 55 -2.641 -1.681 -1.928 395 HB ILE 55 HB ILE 55 -2.273 -3.496 -3.635 396 1HG1 ILE 55 1HG1 ILE 55 0.344 -2.205 -2.863 397 2HG1 ILE 55 2HG1 ILE 55 -0.718 -2.950 -1.671 398 1HG2 ILE 55 1HG2 ILE 55 -0.812 -1.272 -5.016 399 2HG2 ILE 55 2HG2 ILE 55 -0.412 -2.964 -5.305 400 3HG2 ILE 55 3HG2 ILE 55 -2.032 -2.367 -5.664 401 1HD1 ILE 55 1HD1 ILE 55 -0.314 -4.753 -3.850 402 2HD1 ILE 55 2HD1 ILE 55 1.241 -4.183 -3.245 403 3HD1 ILE 55 3HD1 ILE 55 0.094 -4.947 -2.145 404 H LEU 56 H LEU 56 -2.502 0.253 -4.798 405 HA LEU 56 HA LEU 56 -0.381 1.925 -3.645 406 1HB LEU 56 1HB LEU 56 -0.915 1.093 -6.329 407 2HB LEU 56 2HB LEU 56 -1.148 2.828 -6.252 408 HG LEU 56 HG LEU 56 1.101 2.703 -6.843 409 1HD1 LEU 56 1HD1 LEU 56 0.816 3.996 -4.742 410 2HD1 LEU 56 2HD1 LEU 56 1.280 2.557 -3.834 411 3HD1 LEU 56 3HD1 LEU 56 2.428 3.309 -4.943 412 1HD2 LEU 56 1HD2 LEU 56 1.258 0.275 -5.055 413 2HD2 LEU 56 2HD2 LEU 56 1.358 0.328 -6.816 414 3HD2 LEU 56 3HD2 LEU 56 2.652 1.020 -5.838 415 H GLN 57 H GLN 57 -3.523 1.614 -3.334 416 HA GLN 57 HA GLN 57 -5.189 2.937 -2.614 417 1HB GLN 57 1HB GLN 57 -3.088 5.103 -2.701 418 2HB GLN 57 2HB GLN 57 -4.680 5.275 -1.974 419 1HG GLN 57 1HG GLN 57 -3.968 3.191 -0.588 420 2HG GLN 57 2HG GLN 57 -2.338 3.682 -1.048 421 2HE2 GLN 57 2HE2 GLN 57 -4.214 3.760 1.456 422 1HE2 GLN 57 1HE2 GLN 57 -3.877 5.319 2.118 423 H ILE 58 H ILE 58 -6.182 2.508 -4.786 424 HA ILE 58 HA ILE 58 -5.930 4.634 -6.719 425 HB ILE 58 HB ILE 58 -7.746 2.221 -6.665 426 1HG1 ILE 58 1HG1 ILE 58 -5.981 2.066 -8.817 427 2HG1 ILE 58 2HG1 ILE 58 -4.993 2.674 -7.491 428 1HG2 ILE 58 1HG2 ILE 58 -7.559 4.533 -8.507 429 2HG2 ILE 58 2HG2 ILE 58 -7.762 2.938 -9.231 430 3HG2 ILE 58 3HG2 ILE 58 -8.948 3.538 -8.072 431 1HD1 ILE 58 1HD1 ILE 58 -6.631 0.522 -6.565 432 2HD1 ILE 58 2HD1 ILE 58 -5.743 0.031 -8.008 433 3HD1 ILE 58 3HD1 ILE 58 -4.873 0.656 -6.606 434 H ASN 59 H ASN 59 -6.780 6.513 -6.011 435 HA ASN 59 HA ASN 59 -9.096 6.721 -4.415 436 1HB ASN 59 1HB ASN 59 -7.559 8.564 -4.443 437 2HB ASN 59 2HB ASN 59 -7.655 8.696 -6.198 438 2HD2 ASN 59 2HD2 ASN 59 -8.300 10.812 -6.205 439 1HD2 ASN 59 1HD2 ASN 59 -9.854 11.330 -5.657 440 H SER 60 H SER 60 -10.939 5.758 -5.196 441 HA SER 60 HA SER 60 -11.612 5.624 -7.922 442 1HB SER 60 1HB SER 60 -13.534 4.522 -7.226 443 2HB SER 60 2HB SER 60 -12.439 4.232 -5.875 444 HG SER 60 HG SER 60 -14.578 4.966 -5.276 445 H ARG 61 H ARG 61 -12.035 8.192 -5.623 446 HA ARG 61 HA ARG 61 -14.276 9.365 -6.999 447 1HB ARG 61 1HB ARG 61 -13.501 9.570 -4.478 448 2HB ARG 61 2HB ARG 61 -12.576 10.926 -5.108 449 1HG ARG 61 1HG ARG 61 -14.895 11.578 -6.171 450 2HG ARG 61 2HG ARG 61 -15.515 10.589 -4.848 451 1HD ARG 61 1HD ARG 61 -14.695 12.009 -3.226 452 2HD ARG 61 2HD ARG 61 -13.447 12.665 -4.284 453 HE ARG 61 HE ARG 61 -14.951 14.222 -5.049 454 1HH1 ARG 61 1HH1 ARG 61 -16.645 11.756 -3.262 455 2HH1 ARG 61 2HH1 ARG 61 -18.146 12.619 -3.245 456 1HH2 ARG 61 1HH2 ARG 61 -16.923 15.364 -5.031 457 2HH2 ARG 61 2HH2 ARG 61 -18.305 14.670 -4.251 458 H TRP 62 H TRP 62 -11.570 8.911 -8.365 459 HA TRP 62 HA TRP 62 -11.631 11.358 -9.856 460 1HB TRP 62 1HB TRP 62 -9.793 11.163 -7.680 461 2HB TRP 62 2HB TRP 62 -8.880 11.158 -9.185 462 HD1 TRP 62 HD1 TRP 62 -9.678 13.279 -10.939 463 HE1 TRP 62 HE1 TRP 62 -10.065 15.740 -10.291 464 HE3 TRP 62 HE3 TRP 62 -10.416 12.689 -5.915 465 HZ2 TRP 62 HZ2 TRP 62 -10.611 17.233 -7.958 466 HZ3 TRP 62 HZ3 TRP 62 -10.863 14.684 -4.546 467 HH2 TRP 62 HH2 TRP 62 -10.958 16.908 -5.548 468 H TRP 63 H TRP 63 -9.929 8.332 -9.189 469 HA TRP 63 HA TRP 63 -8.894 8.266 -11.904 470 1HB TRP 63 1HB TRP 63 -8.467 6.387 -9.579 471 2HB TRP 63 2HB TRP 63 -7.666 6.260 -11.143 472 HD1 TRP 63 HD1 TRP 63 -6.612 7.174 -7.948 473 HE1 TRP 63 HE1 TRP 63 -4.895 9.096 -7.935 474 HE3 TRP 63 HE3 TRP 63 -7.434 9.007 -12.629 475 HZ2 TRP 63 HZ2 TRP 63 -4.016 11.136 -9.697 476 HZ3 TRP 63 HZ3 TRP 63 -6.151 10.937 -13.397 477 HH2 TRP 63 HH2 TRP 63 -4.459 11.987 -11.963 478 H CYS 64 H CYS 64 -10.448 5.791 -9.880 479 HA CYS 64 HA CYS 64 -11.509 4.610 -12.337 480 1HB CYS 64 1HB CYS 64 -11.788 2.576 -11.139 481 2HB CYS 64 2HB CYS 64 -10.232 3.228 -10.643 482 H ASN 65 H ASN 65 -13.635 3.626 -12.328 483 HA ASN 65 HA ASN 65 -15.578 5.446 -11.065 484 1HB ASN 65 1HB ASN 65 -15.525 5.256 -13.579 485 2HB ASN 65 2HB ASN 65 -16.046 3.583 -13.400 486 2HD2 ASN 65 2HD2 ASN 65 -18.134 3.140 -12.756 487 1HD2 ASN 65 1HD2 ASN 65 -19.377 4.340 -12.738 488 H ASP 66 H ASP 66 -16.488 4.669 -9.285 489 HA ASP 66 HA ASP 66 -16.789 1.775 -8.966 490 1HB ASP 66 1HB ASP 66 -17.263 2.325 -6.585 491 2HB ASP 66 2HB ASP 66 -15.685 2.892 -7.126 492 H GLY 67 H GLY 67 -18.621 4.603 -9.612 493 1HA GLY 67 1HA GLY 67 -21.016 3.066 -9.943 494 2HA GLY 67 2HA GLY 67 -20.846 4.797 -10.193 495 H ARG 68 H ARG 68 -19.714 3.868 -7.156 496 HA ARG 68 HA ARG 68 -22.317 4.200 -5.866 497 1HB ARG 68 1HB ARG 68 -19.618 3.331 -4.836 498 2HB ARG 68 2HB ARG 68 -20.986 3.640 -3.776 499 1HG ARG 68 1HG ARG 68 -21.407 1.780 -6.044 500 2HG ARG 68 2HG ARG 68 -20.418 1.222 -4.694 501 1HD ARG 68 1HD ARG 68 -22.362 0.649 -3.745 502 2HD ARG 68 2HD ARG 68 -22.540 2.371 -3.413 503 HE ARG 68 HE ARG 68 -24.122 2.520 -5.101 504 1HH1 ARG 68 1HH1 ARG 68 -22.684 -0.654 -5.035 505 2HH1 ARG 68 2HH1 ARG 68 -23.874 -1.356 -6.079 506 1HH2 ARG 68 1HH2 ARG 68 -25.693 1.604 -6.477 507 2HH2 ARG 68 2HH2 ARG 68 -25.584 -0.072 -6.898 508 H THR 69 H THR 69 -19.955 6.170 -6.962 509 HA THR 69 HA THR 69 -20.609 8.227 -4.973 510 HB THR 69 HB THR 69 -17.828 8.066 -6.099 511 HG1 THR 69 HG1 THR 69 -18.528 7.027 -3.554 512 1HG2 THR 69 1HG2 THR 69 -19.216 9.525 -3.892 513 2HG2 THR 69 2HG2 THR 69 -17.489 9.194 -3.756 514 3HG2 THR 69 3HG2 THR 69 -18.102 10.135 -5.116 515 HA PRO 70 HA PRO 70 -21.547 10.108 -8.981 516 1HB PRO 70 1HB PRO 70 -22.788 12.298 -7.928 517 2HB PRO 70 2HB PRO 70 -23.587 10.735 -8.141 518 1HG PRO 70 1HG PRO 70 -22.363 11.919 -5.678 519 2HG PRO 70 2HG PRO 70 -23.893 11.039 -5.856 520 1HD PRO 70 1HD PRO 70 -21.667 9.861 -4.893 521 2HD PRO 70 2HD PRO 70 -22.851 8.977 -5.878 522 H GLY 71 H GLY 71 -19.741 10.907 -9.895 523 1HA GLY 71 1HA GLY 71 -18.365 13.140 -8.549 524 2HA GLY 71 2HA GLY 71 -18.849 13.284 -10.232 525 H SER 72 H SER 72 -18.115 10.151 -9.990 526 HA SER 72 HA SER 72 -15.342 9.990 -9.754 527 1HB SER 72 1HB SER 72 -17.495 8.288 -10.739 528 2HB SER 72 2HB SER 72 -15.998 8.058 -11.641 529 HG SER 72 HG SER 72 -16.428 6.838 -9.543 530 H ARG 73 H ARG 73 -13.855 11.028 -10.884 531 HA ARG 73 HA ARG 73 -14.339 12.306 -13.356 532 1HB ARG 73 1HB ARG 73 -12.397 12.473 -11.431 533 2HB ARG 73 2HB ARG 73 -11.529 11.700 -12.751 534 1HG ARG 73 1HG ARG 73 -11.179 13.761 -13.511 535 2HG ARG 73 2HG ARG 73 -12.868 13.731 -14.020 536 1HD ARG 73 1HD ARG 73 -13.347 14.533 -11.601 537 2HD ARG 73 2HD ARG 73 -11.641 14.983 -11.594 538 HE ARG 73 HE ARG 73 -12.875 16.010 -13.906 539 1HH1 ARG 73 1HH1 ARG 73 -12.789 16.482 -10.455 540 2HH1 ARG 73 2HH1 ARG 73 -13.178 18.167 -10.547 541 1HH2 ARG 73 1HH2 ARG 73 -13.388 18.227 -14.037 542 2HH2 ARG 73 2HH2 ARG 73 -13.520 19.158 -12.583 543 H ASN 74 H ASN 74 -12.865 9.225 -12.506 544 HA ASN 74 HA ASN 74 -12.301 7.382 -13.734 545 1HB ASN 74 1HB ASN 74 -14.698 7.992 -14.658 546 2HB ASN 74 2HB ASN 74 -13.806 8.454 -16.105 547 2HD2 ASN 74 2HD2 ASN 74 -13.343 5.816 -13.786 548 1HD2 ASN 74 1HD2 ASN 74 -13.443 4.544 -14.951 549 H LEU 75 H LEU 75 -10.678 9.728 -13.748 550 HA LEU 75 HA LEU 75 -9.619 10.522 -16.181 551 1HB LEU 75 1HB LEU 75 -8.763 10.326 -13.367 552 2HB LEU 75 2HB LEU 75 -7.482 10.522 -14.541 553 HG LEU 75 HG LEU 75 -9.869 12.356 -14.180 554 1HD1 LEU 75 1HD1 LEU 75 -8.006 12.265 -12.378 555 2HD1 LEU 75 2HD1 LEU 75 -7.040 13.120 -13.582 556 3HD1 LEU 75 3HD1 LEU 75 -8.544 13.828 -12.992 557 1HD2 LEU 75 1HD2 LEU 75 -9.021 12.303 -16.486 558 2HD2 LEU 75 2HD2 LEU 75 -8.732 13.861 -15.713 559 3HD2 LEU 75 3HD2 LEU 75 -7.410 12.709 -15.896 560 H CYS 76 H CYS 76 -9.018 7.806 -14.172 561 HA CYS 76 HA CYS 76 -6.846 6.763 -15.763 562 1HB CYS 76 1HB CYS 76 -6.954 6.753 -13.287 563 2HB CYS 76 2HB CYS 76 -8.325 5.662 -13.384 564 H ASN 77 H ASN 77 -10.164 6.741 -15.761 565 HA ASN 77 HA ASN 77 -11.829 5.370 -16.620 566 1HB ASN 77 1HB ASN 77 -10.296 6.289 -18.620 567 2HB ASN 77 2HB ASN 77 -9.973 4.569 -18.819 568 2HD2 ASN 77 2HD2 ASN 77 -11.838 3.157 -19.068 569 1HD2 ASN 77 1HD2 ASN 77 -13.242 3.762 -19.874 570 H ILE 78 H ILE 78 -10.594 4.175 -14.648 571 HA ILE 78 HA ILE 78 -10.009 1.491 -15.540 572 HB ILE 78 HB ILE 78 -8.457 3.201 -14.159 573 1HG1 ILE 78 1HG1 ILE 78 -7.490 0.716 -13.585 574 2HG1 ILE 78 2HG1 ILE 78 -8.522 0.469 -14.990 575 1HG2 ILE 78 1HG2 ILE 78 -9.792 1.361 -12.224 576 2HG2 ILE 78 2HG2 ILE 78 -8.144 1.933 -11.962 577 3HG2 ILE 78 3HG2 ILE 78 -9.473 3.089 -12.070 578 1HD1 ILE 78 1HD1 ILE 78 -7.122 2.709 -15.678 579 2HD1 ILE 78 2HD1 ILE 78 -5.925 1.768 -14.788 580 3HD1 ILE 78 3HD1 ILE 78 -6.740 1.065 -16.186 581 HA PRO 79 HA PRO 79 -13.312 0.067 -12.923 582 1HB PRO 79 1HB PRO 79 -12.543 -2.608 -12.992 583 2HB PRO 79 2HB PRO 79 -13.501 -1.789 -14.226 584 1HG PRO 79 1HG PRO 79 -10.854 -2.814 -14.474 585 2HG PRO 79 2HG PRO 79 -11.783 -1.916 -15.682 586 1HD PRO 79 1HD PRO 79 -9.665 -0.966 -13.843 587 2HD PRO 79 2HD PRO 79 -10.186 -0.304 -15.407 588 H CYS 80 H CYS 80 -13.264 0.492 -10.794 589 HA CYS 80 HA CYS 80 -11.119 0.254 -9.082 590 1HB CYS 80 1HB CYS 80 -13.977 -0.032 -8.179 591 2HB CYS 80 2HB CYS 80 -12.627 0.688 -7.306 592 H SER 81 H SER 81 -13.831 -2.046 -9.400 593 HA SER 81 HA SER 81 -12.904 -3.879 -7.495 594 1HB SER 81 1HB SER 81 -14.544 -5.383 -8.342 595 2HB SER 81 2HB SER 81 -15.214 -3.764 -8.537 596 HG SER 81 HG SER 81 -15.237 -5.387 -10.389 597 H ALA 82 H ALA 82 -11.733 -3.262 -10.667 598 HA ALA 82 HA ALA 82 -10.602 -5.902 -11.026 599 1HB ALA 82 1HB ALA 82 -11.323 -3.898 -12.757 600 2HB ALA 82 2HB ALA 82 -10.369 -5.324 -13.168 601 3HB ALA 82 3HB ALA 82 -9.561 -3.810 -12.763 602 H LEU 83 H LEU 83 -9.670 -2.927 -9.616 603 HA LEU 83 HA LEU 83 -6.821 -3.581 -9.700 604 1HB LEU 83 1HB LEU 83 -7.684 -1.263 -8.105 605 2HB LEU 83 2HB LEU 83 -6.380 -1.408 -9.267 606 HG LEU 83 HG LEU 83 -9.098 -1.433 -10.413 607 1HD1 LEU 83 1HD1 LEU 83 -8.868 0.327 -8.434 608 2HD1 LEU 83 2HD1 LEU 83 -8.070 1.252 -9.706 609 3HD1 LEU 83 3HD1 LEU 83 -9.728 0.692 -9.930 610 1HD2 LEU 83 1HD2 LEU 83 -6.620 -1.269 -11.432 611 2HD2 LEU 83 2HD2 LEU 83 -8.045 -0.604 -12.229 612 3HD2 LEU 83 3HD2 LEU 83 -6.996 0.447 -11.279 613 H LEU 84 H LEU 84 -9.399 -4.385 -7.826 614 HA LEU 84 HA LEU 84 -7.853 -4.416 -5.338 615 1HB LEU 84 1HB LEU 84 -10.772 -5.062 -5.655 616 2HB LEU 84 2HB LEU 84 -9.913 -4.674 -4.177 617 HG LEU 84 HG LEU 84 -10.828 -2.844 -6.358 618 1HD1 LEU 84 1HD1 LEU 84 -11.534 -3.403 -3.652 619 2HD1 LEU 84 2HD1 LEU 84 -11.003 -1.726 -3.786 620 3HD1 LEU 84 3HD1 LEU 84 -12.313 -2.320 -4.807 621 1HD2 LEU 84 1HD2 LEU 84 -8.466 -2.452 -4.558 622 2HD2 LEU 84 2HD2 LEU 84 -8.631 -2.094 -6.278 623 3HD2 LEU 84 3HD2 LEU 84 -9.437 -1.077 -5.083 624 H SER 85 H SER 85 -8.536 -6.423 -7.892 625 HA SER 85 HA SER 85 -9.059 -8.890 -6.629 626 1HB SER 85 1HB SER 85 -8.010 -9.826 -8.787 627 2HB SER 85 2HB SER 85 -9.454 -8.827 -8.951 628 HG SER 85 HG SER 85 -8.315 -7.528 -10.126 629 H SER 86 H SER 86 -7.287 -10.713 -7.230 630 HA SER 86 HA SER 86 -5.127 -10.210 -5.385 631 1HB SER 86 1HB SER 86 -4.545 -12.599 -5.823 632 2HB SER 86 2HB SER 86 -6.218 -12.378 -5.312 633 HG SER 86 HG SER 86 -5.709 -12.320 -8.047 634 H ASP 87 H ASP 87 -5.253 -8.778 -7.942 635 HA ASP 87 HA ASP 87 -2.566 -9.434 -8.917 636 1HB ASP 87 1HB ASP 87 -4.190 -10.341 -10.514 637 2HB ASP 87 2HB ASP 87 -4.961 -8.764 -10.634 638 H ILE 88 H ILE 88 -1.258 -7.712 -8.794 639 HA ILE 88 HA ILE 88 -2.348 -5.130 -8.145 640 HB ILE 88 HB ILE 88 0.233 -4.552 -8.443 641 1HG1 ILE 88 1HG1 ILE 88 0.529 -7.363 -7.498 642 2HG1 ILE 88 2HG1 ILE 88 0.424 -7.083 -9.234 643 1HG2 ILE 88 1HG2 ILE 88 -1.483 -5.108 -6.330 644 2HG2 ILE 88 2HG2 ILE 88 -0.030 -6.051 -5.997 645 3HG2 ILE 88 3HG2 ILE 88 0.087 -4.309 -6.245 646 1HD1 ILE 88 1HD1 ILE 88 2.280 -5.279 -7.931 647 2HD1 ILE 88 2HD1 ILE 88 2.698 -6.977 -7.699 648 3HD1 ILE 88 3HD1 ILE 88 2.509 -6.330 -9.328 649 H THR 89 H THR 89 -1.811 -6.705 -11.041 650 HA THR 89 HA THR 89 -0.590 -4.893 -12.703 651 HB THR 89 HB THR 89 -3.012 -6.575 -13.381 652 HG1 THR 89 HG1 THR 89 -1.418 -8.078 -14.069 653 1HG2 THR 89 1HG2 THR 89 -1.912 -4.605 -14.920 654 2HG2 THR 89 2HG2 THR 89 -1.002 -6.022 -15.446 655 3HG2 THR 89 3HG2 THR 89 -2.763 -6.017 -15.548 656 H ALA 90 H ALA 90 -4.069 -5.003 -11.904 657 HA ALA 90 HA ALA 90 -4.737 -2.742 -13.375 658 1HB ALA 90 1HB ALA 90 -6.355 -4.445 -12.719 659 2HB ALA 90 2HB ALA 90 -6.870 -2.829 -12.235 660 3HB ALA 90 3HB ALA 90 -6.195 -3.934 -11.038 661 H SER 91 H SER 91 -4.182 -3.138 -9.872 662 HA SER 91 HA SER 91 -4.638 -0.466 -9.150 663 1HB SER 91 1HB SER 91 -2.587 -1.693 -7.514 664 2HB SER 91 2HB SER 91 -4.242 -1.259 -7.087 665 HG SER 91 HG SER 91 -4.055 -3.462 -6.892 666 H VAL 92 H VAL 92 -1.838 -2.054 -10.443 667 HA VAL 92 HA VAL 92 -0.137 0.212 -9.916 668 HB VAL 92 HB VAL 92 0.398 -2.302 -11.498 669 1HG1 VAL 92 1HG1 VAL 92 1.992 0.212 -11.216 670 2HG1 VAL 92 2HG1 VAL 92 2.837 -1.333 -11.303 671 3HG1 VAL 92 3HG1 VAL 92 1.780 -0.830 -12.621 672 1HG2 VAL 92 1HG2 VAL 92 0.277 -2.354 -8.961 673 2HG2 VAL 92 2HG2 VAL 92 1.765 -2.959 -9.688 674 3HG2 VAL 92 3HG2 VAL 92 1.725 -1.349 -8.971 675 H ASN 93 H ASN 93 -1.671 -1.194 -12.806 676 HA ASN 93 HA ASN 93 -0.591 0.439 -14.665 677 1HB ASN 93 1HB ASN 93 -1.964 -0.690 -15.980 678 2HB ASN 93 2HB ASN 93 -2.600 -1.435 -14.539 679 2HD2 ASN 93 2HD2 ASN 93 -3.021 1.236 -16.769 680 1HD2 ASN 93 1HD2 ASN 93 -4.707 1.464 -16.471 681 H CYS 94 H CYS 94 -3.344 0.997 -12.566 682 HA CYS 94 HA CYS 94 -4.061 3.523 -13.596 683 1HB CYS 94 1HB CYS 94 -5.272 1.879 -11.901 684 2HB CYS 94 2HB CYS 94 -4.468 2.890 -10.706 685 H ALA 95 H ALA 95 -2.039 2.569 -10.798 686 HA ALA 95 HA ALA 95 -1.329 5.246 -10.131 687 1HB ALA 95 1HB ALA 95 -0.673 4.143 -8.341 688 2HB ALA 95 2HB ALA 95 0.775 3.706 -9.248 689 3HB ALA 95 3HB ALA 95 -0.606 2.610 -9.211 690 H LYS 96 H LYS 96 -0.091 2.916 -12.392 691 HA LYS 96 HA LYS 96 2.424 3.931 -12.943 692 1HB LYS 96 1HB LYS 96 0.366 2.464 -14.546 693 2HB LYS 96 2HB LYS 96 1.728 3.177 -15.400 694 1HG LYS 96 1HG LYS 96 3.286 1.855 -14.195 695 2HG LYS 96 2HG LYS 96 2.045 1.312 -13.064 696 1HD LYS 96 1HD LYS 96 2.130 -0.509 -14.442 697 2HD LYS 96 2HD LYS 96 0.906 0.443 -15.287 698 1HE LYS 96 1HE LYS 96 2.255 -0.008 -17.056 699 2HE LYS 96 2HE LYS 96 3.076 1.438 -16.468 700 1HZ LYS 96 1HZ LYS 96 3.867 -1.234 -15.501 701 2HZ LYS 96 2HZ LYS 96 4.462 -0.641 -16.971 702 3HZ LYS 96 3HZ LYS 96 4.771 0.195 -15.533 703 H LYS 97 H LYS 97 -0.772 4.814 -13.904 704 HA LYS 97 HA LYS 97 -0.010 7.013 -15.617 705 1HB LYS 97 1HB LYS 97 -2.270 5.506 -15.436 706 2HB LYS 97 2HB LYS 97 -2.761 6.939 -14.543 707 1HG LYS 97 1HG LYS 97 -1.430 7.642 -17.007 708 2HG LYS 97 2HG LYS 97 -2.813 6.583 -17.293 709 1HD LYS 97 1HD LYS 97 -3.514 8.559 -15.344 710 2HD LYS 97 2HD LYS 97 -2.825 9.353 -16.761 711 1HE LYS 97 1HE LYS 97 -4.437 7.600 -17.983 712 2HE LYS 97 2HE LYS 97 -5.327 7.799 -16.474 713 1HZ LYS 97 1HZ LYS 97 -4.408 10.241 -17.761 714 2HZ LYS 97 2HZ LYS 97 -5.636 9.398 -18.562 715 3HZ LYS 97 3HZ LYS 97 -5.867 9.917 -16.967 716 H ILE 98 H ILE 98 -0.834 6.475 -12.281 717 HA ILE 98 HA ILE 98 -1.421 9.102 -11.507 718 HB ILE 98 HB ILE 98 -0.349 6.763 -9.970 719 1HG1 ILE 98 1HG1 ILE 98 -2.981 8.255 -9.846 720 2HG1 ILE 98 2HG1 ILE 98 -2.718 6.748 -10.718 721 1HG2 ILE 98 1HG2 ILE 98 -0.529 9.601 -9.153 722 2HG2 ILE 98 2HG2 ILE 98 -1.111 8.402 -7.997 723 3HG2 ILE 98 3HG2 ILE 98 0.548 8.324 -8.590 724 1HD1 ILE 98 1HD1 ILE 98 -2.164 5.649 -8.589 725 2HD1 ILE 98 2HD1 ILE 98 -2.516 7.155 -7.744 726 3HD1 ILE 98 3HD1 ILE 98 -3.798 6.311 -8.612 727 H VAL 99 H VAL 99 1.571 7.273 -11.395 728 HA VAL 99 HA VAL 99 3.187 9.480 -10.562 729 HB VAL 99 HB VAL 99 3.695 7.091 -10.041 730 1HG1 VAL 99 1HG1 VAL 99 3.562 6.857 -12.876 731 2HG1 VAL 99 2HG1 VAL 99 5.183 6.409 -12.345 732 3HG1 VAL 99 3HG1 VAL 99 3.776 5.589 -11.669 733 1HG2 VAL 99 1HG2 VAL 99 5.363 8.984 -9.966 734 2HG2 VAL 99 2HG2 VAL 99 6.045 7.365 -10.109 735 3HG2 VAL 99 3HG2 VAL 99 5.953 8.412 -11.525 736 H SER 100 H SER 100 2.076 8.325 -13.624 737 HA SER 100 HA SER 100 4.224 9.668 -15.075 738 1HB SER 100 1HB SER 100 3.478 7.478 -15.891 739 2HB SER 100 2HB SER 100 1.842 8.105 -16.100 740 HG SER 100 HG SER 100 2.716 8.338 -18.066 741 H ASP 101 H ASP 101 1.252 10.473 -13.763 742 HA ASP 101 HA ASP 101 1.004 12.756 -15.611 743 1HB ASP 101 1HB ASP 101 -0.880 10.747 -15.275 744 2HB ASP 101 2HB ASP 101 -1.488 12.062 -14.272 745 H GLY 102 H GLY 102 1.406 11.709 -12.417 746 1HA GLY 102 1HA GLY 102 0.351 13.079 -10.541 747 2HA GLY 102 2HA GLY 102 0.916 14.460 -11.468 748 H ASN 103 H ASN 103 1.572 12.712 -8.835 749 HA ASN 103 HA ASN 103 4.444 13.327 -8.987 750 1HB ASN 103 1HB ASN 103 2.409 13.619 -6.887 751 2HB ASN 103 2HB ASN 103 3.926 12.922 -6.325 752 2HD2 ASN 103 2HD2 ASN 103 2.354 15.697 -6.484 753 1HD2 ASN 103 1HD2 ASN 103 3.662 16.809 -6.672 754 H GLY 104 H GLY 104 5.930 11.883 -7.877 755 1HA GLY 104 1HA GLY 104 6.853 9.784 -7.748 756 2HA GLY 104 2HA GLY 104 5.416 9.159 -8.540 757 H MET 105 H MET 105 7.191 8.969 -5.803 758 HA MET 105 HA MET 105 5.089 7.602 -4.377 759 1HB MET 105 1HB MET 105 7.750 8.095 -3.135 760 2HB MET 105 2HB MET 105 6.760 6.643 -3.123 761 1HG MET 105 1HG MET 105 8.523 7.650 -5.336 762 2HG MET 105 2HG MET 105 8.715 6.183 -4.380 763 1HE MET 105 1HE MET 105 6.478 4.915 -3.986 764 2HE MET 105 2HE MET 105 5.048 5.268 -4.955 765 3HE MET 105 3HE MET 105 6.064 3.884 -5.355 766 H ASN 106 H ASN 106 5.578 10.703 -4.759 767 HA ASN 106 HA ASN 106 5.532 11.518 -1.972 768 1HB ASN 106 1HB ASN 106 5.243 13.457 -4.218 769 2HB ASN 106 2HB ASN 106 6.141 13.599 -2.714 770 2HD2 ASN 106 2HD2 ASN 106 6.209 12.521 -5.986 771 1HD2 ASN 106 1HD2 ASN 106 7.899 12.168 -6.055 772 H ALA 107 H ALA 107 3.426 11.159 -4.732 773 HA ALA 107 HA ALA 107 1.319 12.827 -4.027 774 1HB ALA 107 1HB ALA 107 1.770 10.683 -5.868 775 2HB ALA 107 2HB ALA 107 0.183 10.497 -5.122 776 3HB ALA 107 3HB ALA 107 0.595 11.995 -5.955 777 H TRP 108 H TRP 108 1.921 9.459 -3.107 778 HA TRP 108 HA TRP 108 -0.393 9.366 -1.408 779 1HB TRP 108 1HB TRP 108 1.888 7.404 -1.729 780 2HB TRP 108 2HB TRP 108 0.385 7.096 -0.860 781 HD1 TRP 108 HD1 TRP 108 -1.887 6.962 -2.380 782 HE1 TRP 108 HE1 TRP 108 -2.213 6.266 -4.837 783 HE3 TRP 108 HE3 TRP 108 2.939 7.411 -3.998 784 HZ2 TRP 108 HZ2 TRP 108 -0.629 5.941 -7.167 785 HZ3 TRP 108 HZ3 TRP 108 3.450 6.897 -6.345 786 HH2 TRP 108 HH2 TRP 108 1.706 6.174 -7.894 787 H VAL 109 H VAL 109 -0.488 9.506 0.752 788 HA VAL 109 HA VAL 109 1.569 10.969 2.086 789 HB VAL 109 HB VAL 109 -0.666 9.854 3.570 790 1HG1 VAL 109 1HG1 VAL 109 1.233 11.819 4.000 791 2HG1 VAL 109 2HG1 VAL 109 -0.263 12.706 3.712 792 3HG1 VAL 109 3HG1 VAL 109 -0.188 11.497 4.994 793 1HG2 VAL 109 1HG2 VAL 109 -0.970 11.472 1.149 794 2HG2 VAL 109 2HG2 VAL 109 -2.135 10.429 1.965 795 3HG2 VAL 109 3HG2 VAL 109 -1.853 12.067 2.555 796 H ALA 110 H ALA 110 0.871 7.616 1.903 797 HA ALA 110 HA ALA 110 1.867 6.941 4.500 798 1HB ALA 110 1HB ALA 110 1.750 5.077 2.143 799 2HB ALA 110 2HB ALA 110 1.643 4.685 3.859 800 3HB ALA 110 3HB ALA 110 0.314 5.529 3.063 801 H TRP 111 H TRP 111 3.247 7.405 1.350 802 HA TRP 111 HA TRP 111 5.804 6.297 2.131 803 1HB TRP 111 1HB TRP 111 5.028 6.171 -0.231 804 2HB TRP 111 2HB TRP 111 5.134 7.921 -0.335 805 HD1 TRP 111 HD1 TRP 111 7.236 4.795 -0.504 806 HE1 TRP 111 HE1 TRP 111 9.662 5.422 -1.090 807 HE3 TRP 111 HE3 TRP 111 6.920 9.874 0.026 808 HZ2 TRP 111 HZ2 TRP 111 11.235 7.755 -1.298 809 HZ3 TRP 111 HZ3 TRP 111 8.932 11.228 -0.383 810 HH2 TRP 111 HH2 TRP 111 11.045 10.190 -1.031 811 H ARG 112 H ARG 112 4.236 9.441 1.903 812 HA ARG 112 HA ARG 112 6.702 10.809 2.644 813 1HB ARG 112 1HB ARG 112 3.979 11.659 1.761 814 2HB ARG 112 2HB ARG 112 5.012 12.795 2.618 815 1HG ARG 112 1HG ARG 112 6.048 11.334 0.227 816 2HG ARG 112 2HG ARG 112 5.024 12.757 0.029 817 1HD ARG 112 1HD ARG 112 7.601 12.644 1.593 818 2HD ARG 112 2HD ARG 112 7.407 13.331 -0.018 819 HE ARG 112 HE ARG 112 5.668 14.480 1.968 820 1HH1 ARG 112 1HH1 ARG 112 8.802 14.633 0.453 821 2HH1 ARG 112 2HH1 ARG 112 9.056 16.299 0.850 822 1HH2 ARG 112 1HH2 ARG 112 5.992 16.675 2.494 823 2HH2 ARG 112 2HH2 ARG 112 7.459 17.460 2.011 824 H ASN 113 H ASN 113 5.981 9.070 4.575 825 HA ASN 113 HA ASN 113 5.444 10.842 6.793 826 1HB ASN 113 1HB ASN 113 3.403 9.044 5.770 827 2HB ASN 113 2HB ASN 113 3.800 8.687 7.449 828 2HD2 ASN 113 2HD2 ASN 113 1.460 9.974 6.017 829 1HD2 ASN 113 1HD2 ASN 113 1.176 11.427 6.907 830 H ARG 114 H ARG 114 5.558 7.370 6.036 831 HA ARG 114 HA ARG 114 7.518 7.052 8.210 832 1HB ARG 114 1HB ARG 114 5.248 5.397 7.265 833 2HB ARG 114 2HB ARG 114 6.677 4.547 7.824 834 1HG ARG 114 1HG ARG 114 5.952 4.783 9.901 835 2HG ARG 114 2HG ARG 114 6.153 6.529 9.739 836 1HD ARG 114 1HD ARG 114 3.848 6.511 8.636 837 2HD ARG 114 2HD ARG 114 3.689 4.874 9.271 838 HE ARG 114 HE ARG 114 3.625 7.346 10.773 839 1HH1 ARG 114 1HH1 ARG 114 3.980 3.881 10.875 840 2HH1 ARG 114 2HH1 ARG 114 3.540 3.756 12.545 841 1HH2 ARG 114 1HH2 ARG 114 3.046 7.191 12.974 842 2HH2 ARG 114 2HH2 ARG 114 3.009 5.637 13.738 843 H CYS 115 H CYS 115 7.492 7.342 4.986 844 HA CYS 115 HA CYS 115 9.536 5.260 4.590 845 1HB CYS 115 1HB CYS 115 7.578 6.519 2.692 846 2HB CYS 115 2HB CYS 115 9.024 5.706 2.102 847 H LYS 116 H LYS 116 8.721 8.605 3.653 848 HA LYS 116 HA LYS 116 11.194 9.205 2.477 849 1HB LYS 116 1HB LYS 116 8.994 10.512 2.353 850 2HB LYS 116 2HB LYS 116 9.461 11.220 3.894 851 1HG LYS 116 1HG LYS 116 11.674 11.441 2.142 852 2HG LYS 116 2HG LYS 116 10.237 11.988 1.277 853 1HD LYS 116 1HD LYS 116 9.929 13.776 2.641 854 2HD LYS 116 2HD LYS 116 10.547 12.932 4.063 855 1HE LYS 116 1HE LYS 116 12.403 13.661 1.837 856 2HE LYS 116 2HE LYS 116 11.912 14.887 3.006 857 1HZ LYS 116 1HZ LYS 116 12.599 12.924 4.645 858 2HZ LYS 116 2HZ LYS 116 13.639 12.574 3.357 859 3HZ LYS 116 3HZ LYS 116 13.696 14.092 4.102 860 H GLY 117 H GLY 117 12.875 8.458 3.784 861 1HA GLY 117 1HA GLY 117 13.174 9.800 6.389 862 2HA GLY 117 2HA GLY 117 14.466 9.880 5.203 863 H THR 118 H THR 118 13.259 6.912 4.685 864 HA THR 118 HA THR 118 14.962 5.685 6.752 865 HB THR 118 HB THR 118 13.573 3.631 6.456 866 HG1 THR 118 HG1 THR 118 12.148 3.609 4.900 867 1HG2 THR 118 1HG2 THR 118 13.183 5.460 8.215 868 2HG2 THR 118 2HG2 THR 118 11.803 5.935 7.225 869 3HG2 THR 118 3HG2 THR 118 11.874 4.316 7.921 870 H ASP 119 H ASP 119 14.620 3.064 5.361 871 HA ASP 119 HA ASP 119 16.281 3.542 2.998 872 1HB ASP 119 1HB ASP 119 17.427 2.733 5.187 873 2HB ASP 119 2HB ASP 119 16.817 1.189 4.641 874 H VAL 120 H VAL 120 14.793 3.079 1.471 875 HA VAL 120 HA VAL 120 12.982 0.897 1.620 876 HB VAL 120 HB VAL 120 12.517 1.397 -0.764 877 1HG1 VAL 120 1HG1 VAL 120 11.455 2.633 1.148 878 2HG1 VAL 120 2HG1 VAL 120 12.624 3.923 0.869 879 3HG1 VAL 120 3HG1 VAL 120 11.465 3.496 -0.389 880 1HG2 VAL 120 1HG2 VAL 120 14.871 3.218 -0.408 881 2HG2 VAL 120 2HG2 VAL 120 14.546 2.060 -1.698 882 3HG2 VAL 120 3HG2 VAL 120 13.626 3.563 -1.609 883 H GLN 121 H GLN 121 16.155 1.404 0.200 884 HA GLN 121 HA GLN 121 16.285 -0.881 -1.417 885 1HB GLN 121 1HB GLN 121 18.447 0.628 0.062 886 2HB GLN 121 2HB GLN 121 18.783 -0.680 -1.064 887 1HG GLN 121 1HG GLN 121 18.109 0.547 -2.900 888 2HG GLN 121 2HG GLN 121 17.136 1.652 -1.931 889 2HE2 GLN 121 2HE2 GLN 121 19.684 1.642 -3.815 890 1HE2 GLN 121 1HE2 GLN 121 20.691 2.815 -3.044 891 H ALA 122 H ALA 122 16.339 -0.450 1.975 892 HA ALA 122 HA ALA 122 17.448 -3.085 2.517 893 1HB ALA 122 1HB ALA 122 17.443 -0.687 3.917 894 2HB ALA 122 2HB ALA 122 16.324 -1.718 4.810 895 3HB ALA 122 3HB ALA 122 17.978 -2.257 4.518 896 H TRP 123 H TRP 123 14.388 -1.502 2.164 897 HA TRP 123 HA TRP 123 12.767 -3.182 3.726 898 1HB TRP 123 1HB TRP 123 12.323 -1.360 1.420 899 2HB TRP 123 2HB TRP 123 11.059 -2.532 1.771 900 HD1 TRP 123 HD1 TRP 123 11.598 0.882 2.402 901 HE1 TRP 123 HE1 TRP 123 10.582 1.680 4.628 902 HE3 TRP 123 HE3 TRP 123 10.920 -3.622 4.687 903 HZ2 TRP 123 HZ2 TRP 123 9.632 0.516 7.007 904 HZ3 TRP 123 HZ3 TRP 123 9.955 -3.704 6.929 905 HH2 TRP 123 HH2 TRP 123 9.318 -1.652 8.077 906 H ILE 124 H ILE 124 14.480 -3.832 0.852 907 HA ILE 124 HA ILE 124 13.003 -6.364 0.532 908 HB ILE 124 HB ILE 124 13.802 -6.281 -1.884 909 1HG1 ILE 124 1HG1 ILE 124 13.722 -3.358 -1.889 910 2HG1 ILE 124 2HG1 ILE 124 15.112 -4.004 -1.024 911 1HG2 ILE 124 1HG2 ILE 124 11.520 -5.175 -0.600 912 2HG2 ILE 124 2HG2 ILE 124 11.916 -4.177 -1.998 913 3HG2 ILE 124 3HG2 ILE 124 11.641 -5.908 -2.199 914 1HD1 ILE 124 1HD1 ILE 124 15.576 -5.405 -3.062 915 2HD1 ILE 124 2HD1 ILE 124 14.351 -4.447 -3.891 916 3HD1 ILE 124 3HD1 ILE 124 15.797 -3.666 -3.251 917 H ARG 125 H ARG 125 15.611 -5.278 1.850 918 HA ARG 125 HA ARG 125 17.767 -6.619 0.593 919 1HB ARG 125 1HB ARG 125 17.677 -4.755 2.486 920 2HB ARG 125 2HB ARG 125 17.797 -6.160 3.538 921 1HG ARG 125 1HG ARG 125 19.839 -6.841 2.310 922 2HG ARG 125 2HG ARG 125 19.740 -5.337 1.393 923 1HD ARG 125 1HD ARG 125 19.609 -5.050 4.319 924 2HD ARG 125 2HD ARG 125 21.146 -5.637 3.686 925 HE ARG 125 HE ARG 125 20.030 -2.998 3.380 926 1HH1 ARG 125 1HH1 ARG 125 22.282 -5.340 2.118 927 2HH1 ARG 125 2HH1 ARG 125 23.274 -4.155 1.336 928 1HH2 ARG 125 1HH2 ARG 125 21.332 -1.432 2.354 929 2HH2 ARG 125 2HH2 ARG 125 22.734 -1.934 1.470 930 H GLY 126 H GLY 126 17.139 -8.739 0.145 931 1HA GLY 126 1HA GLY 126 16.703 -10.462 2.503 932 2HA GLY 126 2HA GLY 126 17.877 -10.891 1.268 933 H CYS 127 H CYS 127 15.225 -9.367 -0.109 934 HA CYS 127 HA CYS 127 13.390 -11.490 -0.254 935 1HB CYS 127 1HB CYS 127 13.740 -8.912 -1.559 936 2HB CYS 127 2HB CYS 127 12.730 -10.066 -2.405 937 H ARG 128 H ARG 128 12.688 -11.981 -2.774 938 HA ARG 128 HA ARG 128 15.093 -12.979 -4.135 939 1HB ARG 128 1HB ARG 128 12.901 -14.538 -2.973 940 2HB ARG 128 2HB ARG 128 13.230 -14.936 -4.653 941 1HG ARG 128 1HG ARG 128 14.703 -16.360 -3.731 942 2HG ARG 128 2HG ARG 128 15.735 -14.929 -3.695 943 1HD ARG 128 1HD ARG 128 15.948 -15.552 -1.523 944 2HD ARG 128 2HD ARG 128 14.489 -14.576 -1.373 945 HE ARG 128 HE ARG 128 14.035 -17.379 -1.908 946 1HH1 ARG 128 1HH1 ARG 128 14.407 -14.908 0.519 947 2HH1 ARG 128 2HH1 ARG 128 13.573 -15.804 1.744 948 1HH2 ARG 128 1HH2 ARG 128 12.936 -18.568 -0.302 949 2HH2 ARG 128 2HH2 ARG 128 12.738 -17.885 1.277 950 H LEU 129 H LEU 129 14.831 -11.253 -5.614 951 HA LEU 129 HA LEU 129 13.092 -11.891 -7.811 952 1HB LEU 129 1HB LEU 129 12.199 -9.455 -7.805 953 2HB LEU 129 2HB LEU 129 11.417 -10.665 -6.807 954 HG LEU 129 HG LEU 129 13.527 -9.313 -5.351 955 1HD1 LEU 129 1HD1 LEU 129 12.580 -7.578 -7.097 956 2HD1 LEU 129 2HD1 LEU 129 11.253 -7.493 -5.938 957 3HD1 LEU 129 3HD1 LEU 129 12.898 -7.121 -5.424 958 1HD2 LEU 129 1HD2 LEU 129 10.655 -10.012 -5.027 959 2HD2 LEU 129 2HD2 LEU 129 12.037 -10.402 -4.003 960 3HD2 LEU 129 3HD2 LEU 129 11.345 -8.780 -3.971 No H/Q in entry = 960 Start of MODEL 49 1 H1 LYS 1 H1 LYS 1 -6.696 -9.946 2.286 2 H2 LYS 1 H2 LYS 1 -7.591 -10.713 1.071 3 H3 LYS 1 H3 LYS 1 -7.342 -11.486 2.556 4 HA LYS 1 HA LYS 1 -5.214 -12.069 2.098 5 1HB LYS 1 1HB LYS 1 -7.101 -12.543 0.142 6 2HB LYS 1 2HB LYS 1 -5.745 -11.906 -0.779 7 1HG LYS 1 1HG LYS 1 -5.179 -14.014 1.228 8 2HG LYS 1 2HG LYS 1 -6.005 -14.482 -0.260 9 1HD LYS 1 1HD LYS 1 -3.638 -12.733 -0.552 10 2HD LYS 1 2HD LYS 1 -3.335 -14.390 -0.027 11 1HE LYS 1 1HE LYS 1 -4.054 -15.292 -2.000 12 2HE LYS 1 2HE LYS 1 -5.176 -13.970 -2.320 13 1HZ LYS 1 1HZ LYS 1 -2.563 -12.953 -2.347 14 2HZ LYS 1 2HZ LYS 1 -2.599 -14.326 -3.335 15 3HZ LYS 1 3HZ LYS 1 -3.667 -13.048 -3.627 16 H VAL 2 H VAL 2 -3.578 -10.688 2.511 17 HA VAL 2 HA VAL 2 -3.092 -8.404 0.777 18 HB VAL 2 HB VAL 2 -1.762 -9.345 3.319 19 1HG1 VAL 2 1HG1 VAL 2 -0.370 -8.041 1.424 20 2HG1 VAL 2 2HG1 VAL 2 -1.112 -6.672 2.247 21 3HG1 VAL 2 3HG1 VAL 2 -0.109 -7.803 3.152 22 1HG2 VAL 2 1HG2 VAL 2 -3.955 -7.576 2.692 23 2HG2 VAL 2 2HG2 VAL 2 -3.416 -8.190 4.256 24 3HG2 VAL 2 3HG2 VAL 2 -2.685 -6.735 3.581 25 H PHE 3 H PHE 3 -1.159 -8.066 -0.383 26 HA PHE 3 HA PHE 3 -0.061 -10.317 -1.676 27 1HB PHE 3 1HB PHE 3 0.457 -7.380 -1.649 28 2HB PHE 3 2HB PHE 3 1.711 -8.425 -2.300 29 HD1 PHE 3 HD1 PHE 3 1.269 -9.784 -4.299 30 HD2 PHE 3 HD2 PHE 3 -1.552 -6.968 -2.820 31 HE1 PHE 3 HE1 PHE 3 0.106 -9.817 -6.464 32 HE2 PHE 3 HE2 PHE 3 -2.720 -6.991 -4.980 33 HZ PHE 3 HZ PHE 3 -1.892 -8.420 -6.809 34 H GLY 4 H GLY 4 2.278 -10.729 -1.782 35 1HA GLY 4 1HA GLY 4 3.962 -11.792 -0.513 36 2HA GLY 4 2HA GLY 4 3.391 -10.932 0.912 37 H ARG 5 H ARG 5 5.579 -10.322 1.383 38 HA ARG 5 HA ARG 5 6.277 -7.766 0.568 39 1HB ARG 5 1HB ARG 5 8.117 -9.923 1.623 40 2HB ARG 5 2HB ARG 5 8.486 -8.206 1.576 41 1HG ARG 5 1HG ARG 5 5.983 -8.788 2.940 42 2HG ARG 5 2HG ARG 5 7.380 -9.565 3.687 43 1HD ARG 5 1HD ARG 5 7.430 -6.666 2.921 44 2HD ARG 5 2HD ARG 5 6.740 -7.194 4.455 45 HE ARG 5 HE ARG 5 9.535 -7.722 3.670 46 1HH1 ARG 5 1HH1 ARG 5 7.124 -6.850 6.030 47 2HH1 ARG 5 2HH1 ARG 5 8.261 -6.709 7.328 48 1HH2 ARG 5 1HH2 ARG 5 11.039 -7.538 5.373 49 2HH2 ARG 5 2HH2 ARG 5 10.487 -7.099 6.956 50 H CYS 6 H CYS 6 8.073 -10.719 -0.345 51 HA CYS 6 HA CYS 6 9.243 -9.296 -2.558 52 1HB CYS 6 1HB CYS 6 9.493 -12.254 -2.286 53 2HB CYS 6 2HB CYS 6 10.671 -11.057 -2.818 54 H GLU 7 H GLU 7 6.717 -11.699 -2.070 55 HA GLU 7 HA GLU 7 6.311 -12.617 -4.633 56 1HB GLU 7 1HB GLU 7 4.218 -11.799 -2.601 57 2HB GLU 7 2HB GLU 7 3.875 -12.728 -4.054 58 1HG GLU 7 1HG GLU 7 4.923 -14.617 -3.258 59 2HG GLU 7 2HG GLU 7 5.927 -13.711 -2.127 60 H LEU 8 H LEU 8 5.037 -9.662 -3.168 61 HA LEU 8 HA LEU 8 3.891 -8.654 -5.546 62 1HB LEU 8 1HB LEU 8 3.033 -7.677 -3.610 63 2HB LEU 8 2HB LEU 8 4.624 -7.439 -2.908 64 HG LEU 8 HG LEU 8 4.761 -5.851 -5.135 65 1HD1 LEU 8 1HD1 LEU 8 1.957 -5.649 -4.053 66 2HD1 LEU 8 2HD1 LEU 8 2.714 -4.515 -5.171 67 3HD1 LEU 8 3HD1 LEU 8 2.420 -6.181 -5.670 68 1HD2 LEU 8 1HD2 LEU 8 4.667 -5.555 -2.304 69 2HD2 LEU 8 2HD2 LEU 8 5.426 -4.511 -3.507 70 3HD2 LEU 8 3HD2 LEU 8 3.744 -4.249 -3.049 71 H ALA 9 H ALA 9 7.094 -8.231 -3.990 72 HA ALA 9 HA ALA 9 8.031 -6.180 -5.636 73 1HB ALA 9 1HB ALA 9 9.998 -8.229 -4.872 74 2HB ALA 9 2HB ALA 9 10.015 -6.482 -4.633 75 3HB ALA 9 3HB ALA 9 9.070 -7.509 -3.555 76 H ALA 10 H ALA 10 8.471 -9.703 -6.054 77 HA ALA 10 HA ALA 10 9.850 -9.674 -8.440 78 1HB ALA 10 1HB ALA 10 8.612 -11.886 -8.876 79 2HB ALA 10 2HB ALA 10 9.604 -11.772 -7.421 80 3HB ALA 10 3HB ALA 10 7.851 -11.612 -7.309 81 H ALA 11 H ALA 11 6.401 -9.357 -7.799 82 HA ALA 11 HA ALA 11 5.580 -9.347 -10.491 83 1HB ALA 11 1HB ALA 11 4.262 -8.227 -8.042 84 2HB ALA 11 2HB ALA 11 3.950 -9.789 -8.800 85 3HB ALA 11 3HB ALA 11 3.493 -8.300 -9.627 86 H MET 12 H MET 12 6.543 -6.880 -8.302 87 HA MET 12 HA MET 12 5.915 -4.595 -9.775 88 1HB MET 12 1HB MET 12 8.445 -4.810 -8.167 89 2HB MET 12 2HB MET 12 7.445 -3.400 -8.419 90 1HG MET 12 1HG MET 12 6.556 -5.798 -6.867 91 2HG MET 12 2HG MET 12 7.323 -4.391 -6.145 92 1HE MET 12 1HE MET 12 6.184 -2.068 -7.909 93 2HE MET 12 2HE MET 12 4.752 -1.568 -7.008 94 3HE MET 12 3HE MET 12 6.245 -1.952 -6.150 95 H LYS 13 H LYS 13 8.965 -6.418 -9.682 96 HA LYS 13 HA LYS 13 10.391 -4.966 -11.560 97 1HB LYS 13 1HB LYS 13 11.243 -6.861 -10.117 98 2HB LYS 13 2HB LYS 13 10.513 -7.972 -11.268 99 1HG LYS 13 1HG LYS 13 12.152 -7.692 -12.767 100 2HG LYS 13 2HG LYS 13 12.265 -5.956 -12.473 101 1HD LYS 13 1HD LYS 13 13.886 -6.194 -10.917 102 2HD LYS 13 2HD LYS 13 13.197 -7.688 -10.277 103 1HE LYS 13 1HE LYS 13 14.530 -8.959 -11.540 104 2HE LYS 13 2HE LYS 13 14.212 -7.996 -12.982 105 1HZ LYS 13 1HZ LYS 13 16.091 -7.168 -10.842 106 2HZ LYS 13 2HZ LYS 13 16.568 -8.004 -12.233 107 3HZ LYS 13 3HZ LYS 13 15.893 -6.458 -12.365 108 H ARG 14 H ARG 14 8.105 -7.616 -12.008 109 HA ARG 14 HA ARG 14 8.410 -7.836 -14.806 110 1HB ARG 14 1HB ARG 14 6.908 -9.118 -12.798 111 2HB ARG 14 2HB ARG 14 5.732 -8.487 -13.943 112 1HG ARG 14 1HG ARG 14 7.575 -9.597 -15.610 113 2HG ARG 14 2HG ARG 14 7.641 -10.683 -14.221 114 1HD ARG 14 1HD ARG 14 5.998 -11.481 -15.804 115 2HD ARG 14 2HD ARG 14 5.194 -10.935 -14.333 116 HE ARG 14 HE ARG 14 5.300 -9.358 -16.824 117 1HH1 ARG 14 1HH1 ARG 14 3.662 -10.438 -13.944 118 2HH1 ARG 14 2HH1 ARG 14 2.219 -9.539 -14.272 119 1HH2 ARG 14 1HH2 ARG 14 3.404 -8.171 -17.264 120 2HH2 ARG 14 2HH2 ARG 14 2.073 -8.251 -16.160 121 H HIS 15 H HIS 15 6.196 -5.974 -12.743 122 HA HIS 15 HA HIS 15 4.733 -4.888 -14.911 123 1HB HIS 15 1HB HIS 15 4.920 -4.276 -11.974 124 2HB HIS 15 2HB HIS 15 3.911 -3.319 -13.056 125 HD1 HIS 15 HD1 HIS 15 2.400 -4.639 -10.923 126 HD2 HIS 15 HD2 HIS 15 3.329 -6.635 -14.446 127 HE1 HIS 15 HE1 HIS 15 0.721 -6.497 -11.103 128 HE2 HIS 15 HE2 HIS 15 1.361 -7.752 -13.193 129 H GLY 16 H GLY 16 7.879 -4.181 -13.846 130 1HA GLY 16 1HA GLY 16 7.889 -1.839 -15.470 131 2HA GLY 16 2HA GLY 16 9.261 -2.580 -14.675 132 H LEU 17 H LEU 17 7.716 -2.324 -11.968 133 HA LEU 17 HA LEU 17 7.591 0.533 -11.722 134 1HB LEU 17 1HB LEU 17 7.598 -1.378 -9.419 135 2HB LEU 17 2HB LEU 17 6.897 0.224 -9.491 136 HG LEU 17 HG LEU 17 5.749 -2.361 -10.199 137 1HD1 LEU 17 1HD1 LEU 17 5.087 -0.206 -8.650 138 2HD1 LEU 17 2HD1 LEU 17 4.031 -0.001 -10.048 139 3HD1 LEU 17 3HD1 LEU 17 3.985 -1.500 -9.120 140 1HD2 LEU 17 1HD2 LEU 17 5.565 -0.078 -12.141 141 2HD2 LEU 17 2HD2 LEU 17 5.848 -1.789 -12.464 142 3HD2 LEU 17 3HD2 LEU 17 4.249 -1.240 -11.962 143 H ASP 18 H ASP 18 9.989 -1.734 -11.618 144 HA ASP 18 HA ASP 18 11.724 -0.496 -9.709 145 1HB ASP 18 1HB ASP 18 12.250 -2.745 -10.078 146 2HB ASP 18 2HB ASP 18 12.093 -2.598 -11.822 147 H ASN 19 H ASN 19 11.802 1.656 -10.206 148 HA ASN 19 HA ASN 19 12.936 3.481 -11.033 149 1HB ASN 19 1HB ASN 19 14.417 1.465 -12.222 150 2HB ASN 19 2HB ASN 19 13.823 2.389 -13.598 151 2HD2 ASN 19 2HD2 ASN 19 14.261 4.676 -13.634 152 1HD2 ASN 19 1HD2 ASN 19 15.684 5.284 -12.867 153 H TYR 20 H TYR 20 10.268 2.843 -11.372 154 HA TYR 20 HA TYR 20 9.536 3.533 -14.112 155 1HB TYR 20 1HB TYR 20 8.306 1.782 -12.770 156 2HB TYR 20 2HB TYR 20 7.663 3.094 -11.786 157 HD1 TYR 20 HD1 TYR 20 7.731 1.672 -15.201 158 HD2 TYR 20 HD2 TYR 20 5.850 4.422 -12.554 159 HE1 TYR 20 HE1 TYR 20 5.918 1.992 -16.831 160 HE2 TYR 20 HE2 TYR 20 4.032 4.748 -14.178 161 HH TYR 20 HH TYR 20 3.858 2.853 -17.149 162 H ARG 21 H ARG 21 9.154 5.535 -14.768 163 HA ARG 21 HA ARG 21 8.813 7.790 -14.747 164 1HB ARG 21 1HB ARG 21 6.947 6.719 -12.824 165 2HB ARG 21 2HB ARG 21 7.529 8.289 -12.282 166 1HG ARG 21 1HG ARG 21 6.394 7.772 -15.020 167 2HG ARG 21 2HG ARG 21 5.454 8.369 -13.650 168 1HD ARG 21 1HD ARG 21 6.552 10.408 -13.619 169 2HD ARG 21 2HD ARG 21 7.960 9.777 -14.471 170 HE ARG 21 HE ARG 21 5.498 10.751 -15.644 171 1HH1 ARG 21 1HH1 ARG 21 8.451 8.962 -16.112 172 2HH1 ARG 21 2HH1 ARG 21 8.445 9.152 -17.834 173 1HH2 ARG 21 1HH2 ARG 21 5.481 11.006 -17.910 174 2HH2 ARG 21 2HH2 ARG 21 6.758 10.314 -18.855 175 H GLY 22 H GLY 22 10.924 6.297 -13.263 176 1HA GLY 22 1HA GLY 22 12.115 8.633 -11.969 177 2HA GLY 22 2HA GLY 22 12.981 7.218 -12.537 178 H TYR 23 H TYR 23 10.433 5.883 -10.908 179 HA TYR 23 HA TYR 23 11.870 6.092 -8.363 180 1HB TYR 23 1HB TYR 23 8.980 5.737 -8.993 181 2HB TYR 23 2HB TYR 23 9.614 5.118 -7.468 182 HD1 TYR 23 HD1 TYR 23 11.272 6.911 -6.277 183 HD2 TYR 23 HD2 TYR 23 8.057 7.850 -8.900 184 HE1 TYR 23 HE1 TYR 23 11.146 9.165 -5.303 185 HE2 TYR 23 HE2 TYR 23 7.920 10.106 -7.931 186 HH TYR 23 HH TYR 23 9.720 11.681 -6.671 187 H SER 24 H SER 24 12.925 4.448 -7.606 188 HA SER 24 HA SER 24 12.971 1.974 -9.028 189 1HB SER 24 1HB SER 24 14.671 1.320 -7.348 190 2HB SER 24 2HB SER 24 15.024 2.884 -8.082 191 HG SER 24 HG SER 24 13.999 2.336 -5.507 192 H LEU 25 H LEU 25 12.836 -0.099 -7.933 193 HA LEU 25 HA LEU 25 10.394 -0.831 -7.104 194 1HB LEU 25 1HB LEU 25 13.081 -1.923 -6.924 195 2HB LEU 25 2HB LEU 25 12.028 -2.525 -5.657 196 HG LEU 25 HG LEU 25 11.079 -2.569 -8.482 197 1HD1 LEU 25 1HD1 LEU 25 13.419 -3.536 -8.345 198 2HD1 LEU 25 2HD1 LEU 25 12.734 -4.784 -7.303 199 3HD1 LEU 25 3HD1 LEU 25 12.161 -4.607 -8.962 200 1HD2 LEU 25 1HD2 LEU 25 10.534 -4.038 -5.935 201 2HD2 LEU 25 2HD2 LEU 25 9.407 -3.230 -7.025 202 3HD2 LEU 25 3HD2 LEU 25 10.130 -4.770 -7.489 203 H GLY 26 H GLY 26 13.057 -0.232 -4.796 204 1HA GLY 26 1HA GLY 26 13.016 0.608 -2.655 205 2HA GLY 26 2HA GLY 26 11.828 -0.660 -2.426 206 H ASN 27 H ASN 27 11.447 2.290 -4.354 207 HA ASN 27 HA ASN 27 10.035 3.736 -2.373 208 1HB ASN 27 1HB ASN 27 9.852 4.092 -5.367 209 2HB ASN 27 2HB ASN 27 9.473 5.290 -4.133 210 2HD2 ASN 27 2HD2 ASN 27 11.595 4.760 -6.389 211 1HD2 ASN 27 1HD2 ASN 27 13.051 5.321 -5.649 212 H TRP 28 H TRP 28 9.012 1.473 -4.831 213 HA TRP 28 HA TRP 28 6.219 2.036 -4.567 214 1HB TRP 28 1HB TRP 28 7.585 -0.332 -5.843 215 2HB TRP 28 2HB TRP 28 5.900 0.153 -6.065 216 HD1 TRP 28 HD1 TRP 28 9.372 0.871 -7.284 217 HE1 TRP 28 HE1 TRP 28 9.304 2.724 -9.057 218 HE3 TRP 28 HE3 TRP 28 4.510 2.297 -6.758 219 HZ2 TRP 28 HZ2 TRP 28 7.456 4.573 -10.116 220 HZ3 TRP 28 HZ3 TRP 28 3.626 4.093 -8.175 221 HH2 TRP 28 HH2 TRP 28 5.072 5.217 -9.832 222 H VAL 29 H VAL 29 8.440 -0.334 -3.143 223 HA VAL 29 HA VAL 29 6.366 -1.907 -2.006 224 HB VAL 29 HB VAL 29 9.298 -1.699 -1.312 225 1HG1 VAL 29 1HG1 VAL 29 7.268 -3.751 -0.437 226 2HG1 VAL 29 2HG1 VAL 29 9.005 -3.830 -0.138 227 3HG1 VAL 29 3HG1 VAL 29 8.043 -2.545 0.591 228 1HG2 VAL 29 1HG2 VAL 29 7.739 -3.586 -3.063 229 2HG2 VAL 29 2HG2 VAL 29 9.059 -2.514 -3.527 230 3HG2 VAL 29 3HG2 VAL 29 9.380 -3.914 -2.504 231 H CYS 30 H CYS 30 8.589 0.531 -0.680 232 HA CYS 30 HA CYS 30 7.604 0.484 1.934 233 1HB CYS 30 1HB CYS 30 9.724 1.605 1.076 234 2HB CYS 30 2HB CYS 30 8.697 2.943 0.572 235 H ALA 31 H ALA 31 6.680 2.547 -0.825 236 HA ALA 31 HA ALA 31 4.808 4.119 0.536 237 1HB ALA 31 1HB ALA 31 5.338 3.458 -2.312 238 2HB ALA 31 2HB ALA 31 3.805 4.230 -1.906 239 3HB ALA 31 3HB ALA 31 5.327 5.021 -1.495 240 H ALA 32 H ALA 32 4.397 1.110 -1.300 241 HA ALA 32 HA ALA 32 1.590 0.968 -0.972 242 1HB ALA 32 1HB ALA 32 2.164 -0.389 -2.681 243 2HB ALA 32 2HB ALA 32 2.239 -1.599 -1.401 244 3HB ALA 32 3HB ALA 32 3.716 -0.818 -1.963 245 H LYS 33 H LYS 33 4.289 -0.470 0.843 246 HA LYS 33 HA LYS 33 2.929 -2.162 2.516 247 1HB LYS 33 1HB LYS 33 5.427 -1.809 2.344 248 2HB LYS 33 2HB LYS 33 5.224 -0.420 3.404 249 1HG LYS 33 1HG LYS 33 4.731 -1.712 5.235 250 2HG LYS 33 2HG LYS 33 4.153 -3.065 4.258 251 1HD LYS 33 1HD LYS 33 6.142 -3.999 4.687 252 2HD LYS 33 2HD LYS 33 6.782 -2.860 3.501 253 1HE LYS 33 1HE LYS 33 8.115 -2.728 5.494 254 2HE LYS 33 2HE LYS 33 7.173 -1.245 5.343 255 1HZ LYS 33 1HZ LYS 33 6.081 -3.456 6.933 256 2HZ LYS 33 2HZ LYS 33 7.310 -2.507 7.603 257 3HZ LYS 33 3HZ LYS 33 5.859 -1.789 7.115 258 H PHE 34 H PHE 34 3.738 1.241 3.253 259 HA PHE 34 HA PHE 34 2.118 1.190 5.581 260 1HB PHE 34 1HB PHE 34 3.798 3.151 4.255 261 2HB PHE 34 2HB PHE 34 2.529 3.808 5.269 262 HD1 PHE 34 HD1 PHE 34 2.457 3.141 7.681 263 HD2 PHE 34 HD2 PHE 34 5.758 2.225 5.157 264 HE1 PHE 34 HE1 PHE 34 3.858 2.747 9.665 265 HE2 PHE 34 HE2 PHE 34 7.166 1.829 7.135 266 HZ PHE 34 HZ PHE 34 6.217 2.090 9.393 267 H GLU 35 H GLU 35 1.570 2.108 2.285 268 HA GLU 35 HA GLU 35 -0.683 3.729 2.662 269 1HB GLU 35 1HB GLU 35 0.626 2.304 0.456 270 2HB GLU 35 2HB GLU 35 -1.107 2.511 0.244 271 1HG GLU 35 1HG GLU 35 -0.950 4.840 0.257 272 2HG GLU 35 2HG GLU 35 0.659 4.816 0.979 273 H SER 36 H SER 36 -0.493 0.291 1.771 274 HA SER 36 HA SER 36 -3.164 -0.089 2.962 275 1HB SER 36 1HB SER 36 -3.717 -1.592 1.054 276 2HB SER 36 2HB SER 36 -3.445 0.075 0.553 277 HG SER 36 HG SER 36 -1.109 -1.049 0.432 278 H ASN 37 H ASN 37 -0.035 -1.009 3.196 279 HA ASN 37 HA ASN 37 1.039 -2.796 4.127 280 1HB ASN 37 1HB ASN 37 -1.052 -2.488 5.708 281 2HB ASN 37 2HB ASN 37 -1.565 -4.007 4.979 282 2HD2 ASN 37 2HD2 ASN 37 -1.110 -5.652 6.230 283 1HD2 ASN 37 1HD2 ASN 37 0.316 -5.851 7.184 284 H PHE 38 H PHE 38 -0.015 -2.839 1.432 285 HA PHE 38 HA PHE 38 -0.041 -4.120 -0.384 286 1HB PHE 38 1HB PHE 38 0.908 -6.357 1.417 287 2HB PHE 38 2HB PHE 38 1.008 -6.303 -0.337 288 HD1 PHE 38 HD1 PHE 38 2.053 -3.828 -1.074 289 HD2 PHE 38 HD2 PHE 38 2.967 -6.100 2.405 290 HE1 PHE 38 HE1 PHE 38 4.237 -2.711 -0.929 291 HE2 PHE 38 HE2 PHE 38 5.156 -4.988 2.556 292 HZ PHE 38 HZ PHE 38 5.797 -3.295 0.887 293 H ASN 39 H ASN 39 -2.355 -3.951 1.516 294 HA ASN 39 HA ASN 39 -3.728 -6.464 1.150 295 1HB ASN 39 1HB ASN 39 -4.158 -5.100 3.156 296 2HB ASN 39 2HB ASN 39 -4.763 -3.797 2.139 297 2HD2 ASN 39 2HD2 ASN 39 -6.640 -4.105 3.586 298 1HD2 ASN 39 1HD2 ASN 39 -7.835 -5.265 3.126 299 H THR 40 H THR 40 -4.516 -7.004 -0.728 300 HA THR 40 HA THR 40 -4.722 -5.289 -2.931 301 HB THR 40 HB THR 40 -5.290 -7.140 -4.150 302 HG1 THR 40 HG1 THR 40 -6.890 -7.875 -1.922 303 1HG2 THR 40 1HG2 THR 40 -3.641 -7.713 -1.957 304 2HG2 THR 40 2HG2 THR 40 -4.715 -9.100 -2.140 305 3HG2 THR 40 3HG2 THR 40 -3.722 -8.569 -3.497 306 H GLN 41 H GLN 41 -6.818 -5.951 -0.342 307 HA GLN 41 HA GLN 41 -9.095 -4.757 -1.746 308 1HB GLN 41 1HB GLN 41 -8.746 -6.865 0.284 309 2HB GLN 41 2HB GLN 41 -10.127 -5.824 0.495 310 1HG GLN 41 1HG GLN 41 -9.677 -6.948 -2.200 311 2HG GLN 41 2HG GLN 41 -10.212 -8.053 -0.936 312 2HE2 GLN 41 2HE2 GLN 41 -12.268 -8.424 -1.486 313 1HE2 GLN 41 1HE2 GLN 41 -13.482 -7.208 -1.665 314 H ALA 42 H ALA 42 -6.681 -3.772 0.215 315 HA ALA 42 HA ALA 42 -7.924 -2.525 2.380 316 1HB ALA 42 1HB ALA 42 -5.331 -2.309 1.027 317 2HB ALA 42 2HB ALA 42 -5.715 -2.462 2.741 318 3HB ALA 42 3HB ALA 42 -5.829 -0.891 1.948 319 H THR 43 H THR 43 -9.209 -0.867 2.574 320 HA THR 43 HA THR 43 -9.282 1.195 0.468 321 HB THR 43 HB THR 43 -11.595 1.323 0.538 322 HG1 THR 43 HG1 THR 43 -11.566 -0.070 3.027 323 1HG2 THR 43 1HG2 THR 43 -10.521 -1.212 0.203 324 2HG2 THR 43 2HG2 THR 43 -11.887 -1.467 1.290 325 3HG2 THR 43 3HG2 THR 43 -12.137 -0.690 -0.273 326 H ASN 44 H ASN 44 -9.018 3.278 1.216 327 HA ASN 44 HA ASN 44 -9.197 3.675 4.131 328 1HB ASN 44 1HB ASN 44 -6.843 3.634 2.882 329 2HB ASN 44 2HB ASN 44 -7.272 5.310 2.553 330 2HD2 ASN 44 2HD2 ASN 44 -5.398 3.668 4.447 331 1HD2 ASN 44 1HD2 ASN 44 -5.542 4.528 5.939 332 H ARG 45 H ARG 45 -11.004 4.831 4.396 333 HA ARG 45 HA ARG 45 -11.802 6.852 2.490 334 1HB ARG 45 1HB ARG 45 -13.045 6.213 5.169 335 2HB ARG 45 2HB ARG 45 -13.784 7.097 3.841 336 1HG ARG 45 1HG ARG 45 -14.036 5.167 2.543 337 2HG ARG 45 2HG ARG 45 -12.898 4.250 3.533 338 1HD ARG 45 1HD ARG 45 -15.264 5.330 4.928 339 2HD ARG 45 2HD ARG 45 -15.571 4.048 3.758 340 HE ARG 45 HE ARG 45 -13.482 3.583 5.737 341 1HH1 ARG 45 1HH1 ARG 45 -16.747 3.000 4.666 342 2HH1 ARG 45 2HH1 ARG 45 -16.957 1.596 5.658 343 1HH2 ARG 45 1HH2 ARG 45 -13.751 1.735 7.045 344 2HH2 ARG 45 2HH2 ARG 45 -15.255 0.877 7.009 345 H ASN 46 H ASN 46 -11.278 8.926 2.571 346 HA ASN 46 HA ASN 46 -9.995 9.960 4.999 347 1HB ASN 46 1HB ASN 46 -10.041 11.407 2.371 348 2HB ASN 46 2HB ASN 46 -8.851 11.499 3.665 349 2HD2 ASN 46 2HD2 ASN 46 -9.323 10.433 0.636 350 1HD2 ASN 46 1HD2 ASN 46 -8.184 9.135 0.586 351 H THR 47 H THR 47 -10.330 12.464 5.175 352 HA THR 47 HA THR 47 -13.161 12.836 5.623 353 HB THR 47 HB THR 47 -12.525 14.937 6.716 354 HG1 THR 47 HG1 THR 47 -10.746 15.512 5.409 355 1HG2 THR 47 1HG2 THR 47 -12.335 12.678 7.867 356 2HG2 THR 47 2HG2 THR 47 -10.597 12.798 7.595 357 3HG2 THR 47 3HG2 THR 47 -11.419 14.002 8.587 358 H ASP 48 H ASP 48 -10.867 13.683 3.220 359 HA ASP 48 HA ASP 48 -12.164 16.043 2.265 360 1HB ASP 48 1HB ASP 48 -10.727 15.638 0.221 361 2HB ASP 48 2HB ASP 48 -9.858 15.814 1.742 362 H GLY 49 H GLY 49 -13.089 12.867 2.219 363 1HA GLY 49 1HA GLY 49 -14.923 13.386 -0.022 364 2HA GLY 49 2HA GLY 49 -15.209 12.251 1.287 365 H SER 50 H SER 50 -12.154 12.434 -0.411 366 HA SER 50 HA SER 50 -12.776 10.317 -2.244 367 1HB SER 50 1HB SER 50 -10.113 10.373 -2.386 368 2HB SER 50 2HB SER 50 -11.113 11.602 -3.160 369 HG SER 50 HG SER 50 -10.227 13.015 -1.902 370 H THR 51 H THR 51 -11.189 8.395 -2.329 371 HA THR 51 HA THR 51 -10.609 7.341 0.343 372 HB THR 51 HB THR 51 -11.983 5.533 -1.605 373 HG1 THR 51 HG1 THR 51 -13.913 6.342 -1.148 374 1HG2 THR 51 1HG2 THR 51 -10.843 4.993 0.735 375 2HG2 THR 51 2HG2 THR 51 -12.423 5.497 1.334 376 3HG2 THR 51 3HG2 THR 51 -12.299 4.159 0.193 377 H ASP 52 H ASP 52 -9.476 5.147 0.145 378 HA ASP 52 HA ASP 52 -7.672 5.160 -2.187 379 1HB ASP 52 1HB ASP 52 -7.017 4.580 0.708 380 2HB ASP 52 2HB ASP 52 -5.909 4.310 -0.634 381 H TYR 53 H TYR 53 -9.037 3.649 -3.207 382 HA TYR 53 HA TYR 53 -9.253 1.025 -1.945 383 1HB TYR 53 1HB TYR 53 -10.376 1.949 -4.596 384 2HB TYR 53 2HB TYR 53 -10.748 0.446 -3.767 385 HD1 TYR 53 HD1 TYR 53 -11.777 0.729 -1.361 386 HD2 TYR 53 HD2 TYR 53 -11.817 3.735 -4.368 387 HE1 TYR 53 HE1 TYR 53 -13.699 1.795 -0.259 388 HE2 TYR 53 HE2 TYR 53 -13.736 4.813 -3.274 389 HH TYR 53 HH TYR 53 -14.910 3.749 -0.151 390 H GLY 54 H GLY 54 -6.903 0.535 -2.132 391 1HA GLY 54 1HA GLY 54 -5.732 0.439 -4.733 392 2HA GLY 54 2HA GLY 54 -6.296 -1.145 -4.223 393 H ILE 55 H ILE 55 -3.966 -1.693 -4.404 394 HA ILE 55 HA ILE 55 -2.740 -1.677 -1.834 395 HB ILE 55 HB ILE 55 -2.383 -3.487 -3.549 396 1HG1 ILE 55 1HG1 ILE 55 0.239 -2.234 -2.740 397 2HG1 ILE 55 2HG1 ILE 55 -0.846 -2.972 -1.564 398 1HG2 ILE 55 1HG2 ILE 55 -1.702 -1.336 -5.186 399 2HG2 ILE 55 2HG2 ILE 55 -0.194 -2.206 -4.907 400 3HG2 ILE 55 3HG2 ILE 55 -1.590 -3.054 -5.573 401 1HD1 ILE 55 1HD1 ILE 55 -0.035 -4.546 -3.953 402 2HD1 ILE 55 2HD1 ILE 55 1.112 -4.331 -2.630 403 3HD1 ILE 55 3HD1 ILE 55 -0.451 -5.089 -2.327 404 H LEU 56 H LEU 56 -2.569 0.260 -4.700 405 HA LEU 56 HA LEU 56 -0.445 1.913 -3.524 406 1HB LEU 56 1HB LEU 56 -0.993 1.103 -6.229 407 2HB LEU 56 2HB LEU 56 -1.127 2.847 -6.125 408 HG LEU 56 HG LEU 56 1.111 2.659 -6.672 409 1HD1 LEU 56 1HD1 LEU 56 0.835 3.740 -4.403 410 2HD1 LEU 56 2HD1 LEU 56 1.386 2.216 -3.707 411 3HD1 LEU 56 3HD1 LEU 56 2.444 3.126 -4.785 412 1HD2 LEU 56 1HD2 LEU 56 0.911 0.013 -5.298 413 2HD2 LEU 56 2HD2 LEU 56 1.482 0.405 -6.920 414 3HD2 LEU 56 3HD2 LEU 56 2.495 0.756 -5.519 415 H GLN 57 H GLN 57 -3.571 1.631 -3.206 416 HA GLN 57 HA GLN 57 -5.226 2.976 -2.501 417 1HB GLN 57 1HB GLN 57 -3.334 5.306 -2.771 418 2HB GLN 57 2HB GLN 57 -4.760 5.191 -1.750 419 1HG GLN 57 1HG GLN 57 -2.313 3.477 -1.418 420 2HG GLN 57 2HG GLN 57 -2.594 4.984 -0.547 421 2HE2 GLN 57 2HE2 GLN 57 -3.637 4.880 1.315 422 1HE2 GLN 57 1HE2 GLN 57 -4.543 3.527 1.890 423 H ILE 58 H ILE 58 -6.222 2.448 -4.648 424 HA ILE 58 HA ILE 58 -6.008 4.506 -6.660 425 HB ILE 58 HB ILE 58 -8.070 2.332 -6.721 426 1HG1 ILE 58 1HG1 ILE 58 -6.008 1.191 -6.092 427 2HG1 ILE 58 2HG1 ILE 58 -6.403 0.835 -7.771 428 1HG2 ILE 58 1HG2 ILE 58 -7.316 4.349 -8.463 429 2HG2 ILE 58 2HG2 ILE 58 -6.578 2.895 -9.137 430 3HG2 ILE 58 3HG2 ILE 58 -8.316 2.947 -8.845 431 1HD1 ILE 58 1HD1 ILE 58 -4.708 3.133 -7.659 432 2HD1 ILE 58 2HD1 ILE 58 -3.993 1.815 -6.729 433 3HD1 ILE 58 3HD1 ILE 58 -4.424 1.568 -8.421 434 H ASN 59 H ASN 59 -6.880 6.382 -5.925 435 HA ASN 59 HA ASN 59 -9.233 6.565 -4.388 436 1HB ASN 59 1HB ASN 59 -7.592 8.391 -4.508 437 2HB ASN 59 2HB ASN 59 -7.946 8.609 -6.220 438 2HD2 ASN 59 2HD2 ASN 59 -8.320 10.831 -5.405 439 1HD2 ASN 59 1HD2 ASN 59 -9.908 11.227 -4.848 440 H SER 60 H SER 60 -11.043 5.570 -5.187 441 HA SER 60 HA SER 60 -11.683 5.417 -7.920 442 1HB SER 60 1HB SER 60 -13.598 4.291 -7.243 443 2HB SER 60 2HB SER 60 -12.523 4.027 -5.869 444 HG SER 60 HG SER 60 -13.578 5.688 -4.776 445 H ARG 61 H ARG 61 -12.136 7.968 -5.626 446 HA ARG 61 HA ARG 61 -14.297 9.172 -7.151 447 1HB ARG 61 1HB ARG 61 -13.866 9.212 -4.538 448 2HB ARG 61 2HB ARG 61 -12.887 10.613 -4.949 449 1HG ARG 61 1HG ARG 61 -15.110 11.240 -6.292 450 2HG ARG 61 2HG ARG 61 -15.817 10.256 -5.009 451 1HD ARG 61 1HD ARG 61 -15.762 12.094 -3.747 452 2HD ARG 61 2HD ARG 61 -14.015 11.869 -3.677 453 HE ARG 61 HE ARG 61 -13.832 13.419 -5.539 454 1HH1 ARG 61 1HH1 ARG 61 -16.883 13.318 -3.858 455 2HH1 ARG 61 2HH1 ARG 61 -17.358 14.905 -4.359 456 1HH2 ARG 61 1HH2 ARG 61 -14.451 15.512 -6.203 457 2HH2 ARG 61 2HH2 ARG 61 -15.976 16.153 -5.693 458 H TRP 62 H TRP 62 -11.435 8.802 -8.133 459 HA TRP 62 HA TRP 62 -11.281 11.342 -9.463 460 1HB TRP 62 1HB TRP 62 -10.065 11.466 -7.126 461 2HB TRP 62 2HB TRP 62 -8.767 10.668 -8.006 462 HD1 TRP 62 HD1 TRP 62 -7.277 12.150 -9.531 463 HE1 TRP 62 HE1 TRP 62 -7.250 14.650 -10.143 464 HE3 TRP 62 HE3 TRP 62 -11.775 13.526 -7.528 465 HZ2 TRP 62 HZ2 TRP 62 -8.915 16.907 -9.819 466 HZ3 TRP 62 HZ3 TRP 62 -12.484 15.875 -7.721 467 HH2 TRP 62 HH2 TRP 62 -11.082 17.528 -8.843 468 H TRP 63 H TRP 63 -10.656 8.032 -9.398 469 HA TRP 63 HA TRP 63 -9.062 8.292 -11.850 470 1HB TRP 63 1HB TRP 63 -8.572 6.360 -9.581 471 2HB TRP 63 2HB TRP 63 -7.824 6.219 -11.168 472 HD1 TRP 63 HD1 TRP 63 -6.751 7.221 -7.970 473 HE1 TRP 63 HE1 TRP 63 -4.979 9.092 -8.040 474 HE3 TRP 63 HE3 TRP 63 -7.496 8.839 -12.740 475 HZ2 TRP 63 HZ2 TRP 63 -4.032 11.015 -9.897 476 HZ3 TRP 63 HZ3 TRP 63 -6.153 10.691 -13.595 477 HH2 TRP 63 HH2 TRP 63 -4.440 11.763 -12.206 478 H CYS 64 H CYS 64 -10.547 5.688 -9.957 479 HA CYS 64 HA CYS 64 -11.536 4.532 -12.451 480 1HB CYS 64 1HB CYS 64 -11.855 2.488 -11.255 481 2HB CYS 64 2HB CYS 64 -10.299 3.136 -10.756 482 H ASN 65 H ASN 65 -13.659 3.576 -12.563 483 HA ASN 65 HA ASN 65 -15.643 5.367 -11.334 484 1HB ASN 65 1HB ASN 65 -15.521 5.166 -13.841 485 2HB ASN 65 2HB ASN 65 -16.035 3.490 -13.672 486 2HD2 ASN 65 2HD2 ASN 65 -18.142 3.032 -13.233 487 1HD2 ASN 65 1HD2 ASN 65 -19.391 4.225 -13.196 488 H ASP 66 H ASP 66 -16.564 4.591 -9.557 489 HA ASP 66 HA ASP 66 -16.865 1.704 -9.220 490 1HB ASP 66 1HB ASP 66 -17.269 2.165 -6.886 491 2HB ASP 66 2HB ASP 66 -15.851 3.075 -7.397 492 H GLY 67 H GLY 67 -18.707 4.491 -9.994 493 1HA GLY 67 1HA GLY 67 -21.067 2.913 -10.395 494 2HA GLY 67 2HA GLY 67 -20.907 4.641 -10.673 495 H ARG 68 H ARG 68 -19.879 3.840 -7.578 496 HA ARG 68 HA ARG 68 -22.549 4.238 -6.423 497 1HB ARG 68 1HB ARG 68 -19.981 3.166 -5.258 498 2HB ARG 68 2HB ARG 68 -21.385 3.552 -4.272 499 1HG ARG 68 1HG ARG 68 -22.005 1.839 -6.549 500 2HG ARG 68 2HG ARG 68 -20.852 1.128 -5.419 501 1HD ARG 68 1HD ARG 68 -23.498 2.328 -4.620 502 2HD ARG 68 2HD ARG 68 -23.235 0.609 -4.907 503 HE ARG 68 HE ARG 68 -22.435 2.129 -2.598 504 1HH1 ARG 68 1HH1 ARG 68 -21.837 -0.726 -4.503 505 2HH1 ARG 68 2HH1 ARG 68 -21.104 -1.599 -3.199 506 1HH2 ARG 68 1HH2 ARG 68 -21.472 0.987 -0.876 507 2HH2 ARG 68 2HH2 ARG 68 -20.898 -0.625 -1.137 508 H THR 69 H THR 69 -20.047 6.074 -7.376 509 HA THR 69 HA THR 69 -20.580 8.091 -5.302 510 HB THR 69 HB THR 69 -17.864 7.744 -6.571 511 HG1 THR 69 HG1 THR 69 -17.492 6.220 -5.160 512 1HG2 THR 69 1HG2 THR 69 -19.062 9.529 -4.521 513 2HG2 THR 69 2HG2 THR 69 -17.399 8.998 -4.271 514 3HG2 THR 69 3HG2 THR 69 -17.834 9.871 -5.739 515 HA PRO 70 HA PRO 70 -21.639 10.161 -9.189 516 1HB PRO 70 1HB PRO 70 -22.810 12.314 -7.996 517 2HB PRO 70 2HB PRO 70 -23.639 10.773 -8.247 518 1HG PRO 70 1HG PRO 70 -22.309 11.829 -5.782 519 2HG PRO 70 2HG PRO 70 -23.858 10.980 -5.943 520 1HD PRO 70 1HD PRO 70 -21.614 9.731 -5.115 521 2HD PRO 70 2HD PRO 70 -22.849 8.906 -6.090 522 H GLY 71 H GLY 71 -19.768 10.896 -10.066 523 1HA GLY 71 1HA GLY 71 -18.388 13.117 -8.706 524 2HA GLY 71 2HA GLY 71 -18.852 13.265 -10.394 525 H SER 72 H SER 72 -18.146 10.122 -10.129 526 HA SER 72 HA SER 72 -15.383 9.926 -9.860 527 1HB SER 72 1HB SER 72 -17.503 8.285 -11.143 528 2HB SER 72 2HB SER 72 -15.838 7.951 -11.622 529 HG SER 72 HG SER 72 -15.828 8.184 -9.006 530 H ARG 73 H ARG 73 -13.844 10.914 -10.962 531 HA ARG 73 HA ARG 73 -14.250 12.253 -13.412 532 1HB ARG 73 1HB ARG 73 -12.344 12.355 -11.483 533 2HB ARG 73 2HB ARG 73 -11.481 11.475 -12.738 534 1HG ARG 73 1HG ARG 73 -11.193 13.310 -13.957 535 2HG ARG 73 2HG ARG 73 -12.886 13.779 -13.794 536 1HD ARG 73 1HD ARG 73 -11.455 14.115 -11.307 537 2HD ARG 73 2HD ARG 73 -10.678 15.005 -12.615 538 HE ARG 73 HE ARG 73 -13.236 15.559 -11.414 539 1HH1 ARG 73 1HH1 ARG 73 -11.224 15.987 -14.227 540 2HH1 ARG 73 2HH1 ARG 73 -12.051 17.414 -14.758 541 1HH2 ARG 73 1HH2 ARG 73 -14.329 17.436 -12.107 542 2HH2 ARG 73 2HH2 ARG 73 -13.815 18.238 -13.553 543 H ASN 74 H ASN 74 -12.890 9.105 -12.617 544 HA ASN 74 HA ASN 74 -12.393 7.264 -13.875 545 1HB ASN 74 1HB ASN 74 -14.772 7.970 -14.780 546 2HB ASN 74 2HB ASN 74 -13.870 8.411 -16.227 547 2HD2 ASN 74 2HD2 ASN 74 -14.514 6.860 -17.596 548 1HD2 ASN 74 1HD2 ASN 74 -14.270 5.168 -17.350 549 H LEU 75 H LEU 75 -10.733 9.616 -13.889 550 HA LEU 75 HA LEU 75 -9.652 10.363 -16.328 551 1HB LEU 75 1HB LEU 75 -8.813 10.188 -13.505 552 2HB LEU 75 2HB LEU 75 -7.525 10.356 -14.677 553 HG LEU 75 HG LEU 75 -9.886 12.224 -14.310 554 1HD1 LEU 75 1HD1 LEU 75 -8.004 12.150 -12.547 555 2HD1 LEU 75 2HD1 LEU 75 -7.021 12.927 -13.788 556 3HD1 LEU 75 3HD1 LEU 75 -8.489 13.713 -13.206 557 1HD2 LEU 75 1HD2 LEU 75 -7.669 12.131 -16.310 558 2HD2 LEU 75 2HD2 LEU 75 -9.376 12.517 -16.534 559 3HD2 LEU 75 3HD2 LEU 75 -8.296 13.694 -15.787 560 H CYS 76 H CYS 76 -9.038 7.707 -14.233 561 HA CYS 76 HA CYS 76 -6.884 6.601 -15.787 562 1HB CYS 76 1HB CYS 76 -7.082 6.640 -13.300 563 2HB CYS 76 2HB CYS 76 -8.413 5.505 -13.441 564 H ASN 77 H ASN 77 -10.215 6.594 -15.796 565 HA ASN 77 HA ASN 77 -11.880 5.218 -16.657 566 1HB ASN 77 1HB ASN 77 -10.512 6.201 -18.667 567 2HB ASN 77 2HB ASN 77 -9.915 4.553 -18.841 568 2HD2 ASN 77 2HD2 ASN 77 -12.436 6.708 -19.489 569 1HD2 ASN 77 1HD2 ASN 77 -13.549 5.581 -20.178 570 H ILE 78 H ILE 78 -10.619 4.027 -14.700 571 HA ILE 78 HA ILE 78 -10.014 1.347 -15.597 572 HB ILE 78 HB ILE 78 -8.488 3.079 -14.215 573 1HG1 ILE 78 1HG1 ILE 78 -7.505 0.596 -13.622 574 2HG1 ILE 78 2HG1 ILE 78 -8.508 0.353 -15.049 575 1HG2 ILE 78 1HG2 ILE 78 -9.817 1.246 -12.273 576 2HG2 ILE 78 2HG2 ILE 78 -8.170 1.820 -12.009 577 3HG2 ILE 78 3HG2 ILE 78 -9.497 2.975 -12.130 578 1HD1 ILE 78 1HD1 ILE 78 -7.041 2.659 -15.570 579 2HD1 ILE 78 2HD1 ILE 78 -5.899 1.531 -14.840 580 3HD1 ILE 78 3HD1 ILE 78 -6.808 1.060 -16.276 581 HA PRO 79 HA PRO 79 -13.319 -0.133 -13.019 582 1HB PRO 79 1HB PRO 79 -12.388 -2.785 -12.989 583 2HB PRO 79 2HB PRO 79 -13.448 -2.065 -14.200 584 1HG PRO 79 1HG PRO 79 -10.805 -2.965 -14.593 585 2HG PRO 79 2HG PRO 79 -11.784 -2.021 -15.727 586 1HD PRO 79 1HD PRO 79 -9.649 -1.119 -13.862 587 2HD PRO 79 2HD PRO 79 -10.138 -0.449 -15.432 588 H CYS 80 H CYS 80 -13.340 0.367 -10.912 589 HA CYS 80 HA CYS 80 -11.245 0.242 -9.124 590 1HB CYS 80 1HB CYS 80 -14.146 -0.065 -8.355 591 2HB CYS 80 2HB CYS 80 -12.847 0.634 -7.393 592 H SER 81 H SER 81 -13.915 -2.115 -9.390 593 HA SER 81 HA SER 81 -12.952 -3.877 -7.436 594 1HB SER 81 1HB SER 81 -14.394 -5.578 -8.793 595 2HB SER 81 2HB SER 81 -15.183 -4.219 -7.994 596 HG SER 81 HG SER 81 -15.238 -3.142 -9.971 597 H ALA 82 H ALA 82 -11.760 -3.297 -10.585 598 HA ALA 82 HA ALA 82 -10.625 -5.943 -10.922 599 1HB ALA 82 1HB ALA 82 -11.358 -4.807 -12.903 600 2HB ALA 82 2HB ALA 82 -10.332 -3.419 -12.539 601 3HB ALA 82 3HB ALA 82 -9.603 -4.968 -12.963 602 H LEU 83 H LEU 83 -9.715 -2.965 -9.506 603 HA LEU 83 HA LEU 83 -6.862 -3.604 -9.574 604 1HB LEU 83 1HB LEU 83 -7.767 -1.292 -7.988 605 2HB LEU 83 2HB LEU 83 -6.439 -1.428 -9.124 606 HG LEU 83 HG LEU 83 -9.116 -1.492 -10.345 607 1HD1 LEU 83 1HD1 LEU 83 -8.921 0.284 -8.328 608 2HD1 LEU 83 2HD1 LEU 83 -8.242 1.230 -9.652 609 3HD1 LEU 83 3HD1 LEU 83 -9.865 0.557 -9.792 610 1HD2 LEU 83 1HD2 LEU 83 -6.403 -0.797 -11.002 611 2HD2 LEU 83 2HD2 LEU 83 -7.771 -1.110 -12.069 612 3HD2 LEU 83 3HD2 LEU 83 -7.504 0.511 -11.430 613 H LEU 84 H LEU 84 -9.464 -4.394 -7.715 614 HA LEU 84 HA LEU 84 -7.948 -4.422 -5.211 615 1HB LEU 84 1HB LEU 84 -10.847 -5.131 -5.563 616 2HB LEU 84 2HB LEU 84 -10.016 -4.699 -4.082 617 HG LEU 84 HG LEU 84 -10.948 -2.922 -6.304 618 1HD1 LEU 84 1HD1 LEU 84 -11.694 -3.468 -3.612 619 2HD1 LEU 84 2HD1 LEU 84 -11.180 -1.786 -3.737 620 3HD1 LEU 84 3HD1 LEU 84 -12.462 -2.397 -4.783 621 1HD2 LEU 84 1HD2 LEU 84 -8.593 -2.485 -4.518 622 2HD2 LEU 84 2HD2 LEU 84 -8.809 -2.066 -6.218 623 3HD2 LEU 84 3HD2 LEU 84 -9.613 -1.118 -4.968 624 H SER 85 H SER 85 -8.547 -6.438 -7.779 625 HA SER 85 HA SER 85 -9.045 -8.916 -6.522 626 1HB SER 85 1HB SER 85 -8.129 -8.006 -9.187 627 2HB SER 85 2HB SER 85 -7.690 -9.654 -8.741 628 HG SER 85 HG SER 85 -9.697 -9.674 -9.740 629 H SER 86 H SER 86 -7.237 -10.707 -7.101 630 HA SER 86 HA SER 86 -5.098 -10.152 -5.242 631 1HB SER 86 1HB SER 86 -4.546 -12.505 -5.456 632 2HB SER 86 2HB SER 86 -6.295 -12.347 -5.296 633 HG SER 86 HG SER 86 -4.959 -13.543 -7.223 634 H ASP 87 H ASP 87 -5.199 -8.727 -7.786 635 HA ASP 87 HA ASP 87 -2.508 -9.383 -8.746 636 1HB ASP 87 1HB ASP 87 -4.113 -10.310 -10.348 637 2HB ASP 87 2HB ASP 87 -4.895 -8.740 -10.484 638 H ILE 88 H ILE 88 -1.210 -7.659 -8.617 639 HA ILE 88 HA ILE 88 -2.302 -5.077 -7.987 640 HB ILE 88 HB ILE 88 0.274 -4.487 -8.302 641 1HG1 ILE 88 1HG1 ILE 88 0.604 -7.289 -7.346 642 2HG1 ILE 88 2HG1 ILE 88 0.465 -7.028 -9.082 643 1HG2 ILE 88 1HG2 ILE 88 -1.427 -5.164 -6.161 644 2HG2 ILE 88 2HG2 ILE 88 0.132 -5.928 -5.849 645 3HG2 ILE 88 3HG2 ILE 88 0.042 -4.188 -6.124 646 1HD1 ILE 88 1HD1 ILE 88 2.302 -5.129 -8.126 647 2HD1 ILE 88 2HD1 ILE 88 2.722 -6.674 -7.383 648 3HD1 ILE 88 3HD1 ILE 88 2.616 -6.539 -9.138 649 H THR 89 H THR 89 -1.803 -6.659 -10.877 650 HA THR 89 HA THR 89 -0.594 -4.855 -12.560 651 HB THR 89 HB THR 89 -3.002 -6.571 -13.194 652 HG1 THR 89 HG1 THR 89 -0.694 -7.368 -12.444 653 1HG2 THR 89 1HG2 THR 89 -1.788 -4.598 -14.761 654 2HG2 THR 89 2HG2 THR 89 -1.154 -6.128 -15.365 655 3HG2 THR 89 3HG2 THR 89 -2.895 -5.857 -15.306 656 H ALA 90 H ALA 90 -4.066 -4.971 -11.726 657 HA ALA 90 HA ALA 90 -4.756 -2.737 -13.227 658 1HB ALA 90 1HB ALA 90 -6.362 -4.433 -12.556 659 2HB ALA 90 2HB ALA 90 -6.882 -2.822 -12.061 660 3HB ALA 90 3HB ALA 90 -6.190 -3.929 -10.875 661 H SER 91 H SER 91 -4.231 -3.056 -9.701 662 HA SER 91 HA SER 91 -4.693 -0.350 -9.088 663 1HB SER 91 1HB SER 91 -3.480 -2.667 -7.705 664 2HB SER 91 2HB SER 91 -2.974 -1.080 -7.128 665 HG SER 91 HG SER 91 -4.871 -0.806 -6.273 666 H VAL 92 H VAL 92 -1.892 -2.000 -10.290 667 HA VAL 92 HA VAL 92 -0.165 0.241 -9.745 668 HB VAL 92 HB VAL 92 0.348 -2.296 -11.289 669 1HG1 VAL 92 1HG1 VAL 92 2.148 0.098 -10.897 670 2HG1 VAL 92 2HG1 VAL 92 2.728 -1.489 -11.402 671 3HG1 VAL 92 3HG1 VAL 92 1.601 -0.596 -12.424 672 1HG2 VAL 92 1HG2 VAL 92 0.649 -1.468 -8.544 673 2HG2 VAL 92 2HG2 VAL 92 0.853 -3.067 -9.259 674 3HG2 VAL 92 3HG2 VAL 92 2.206 -1.934 -9.229 675 H ASN 93 H ASN 93 -1.601 -1.181 -12.690 676 HA ASN 93 HA ASN 93 -0.493 0.459 -14.515 677 1HB ASN 93 1HB ASN 93 -1.874 -0.603 -15.886 678 2HB ASN 93 2HB ASN 93 -2.440 -1.445 -14.471 679 2HD2 ASN 93 2HD2 ASN 93 -4.492 -1.245 -13.891 680 1HD2 ASN 93 1HD2 ASN 93 -5.619 -0.134 -14.580 681 H CYS 94 H CYS 94 -3.319 1.015 -12.506 682 HA CYS 94 HA CYS 94 -4.003 3.544 -13.532 683 1HB CYS 94 1HB CYS 94 -5.242 1.906 -11.853 684 2HB CYS 94 2HB CYS 94 -4.449 2.912 -10.647 685 H ALA 95 H ALA 95 -2.026 2.584 -10.709 686 HA ALA 95 HA ALA 95 -1.309 5.253 -10.033 687 1HB ALA 95 1HB ALA 95 -0.521 4.261 -8.242 688 2HB ALA 95 2HB ALA 95 0.755 3.513 -9.204 689 3HB ALA 95 3HB ALA 95 -0.787 2.684 -8.987 690 H LYS 96 H LYS 96 -0.033 2.922 -12.280 691 HA LYS 96 HA LYS 96 2.496 3.922 -12.763 692 1HB LYS 96 1HB LYS 96 0.463 2.498 -14.434 693 2HB LYS 96 2HB LYS 96 1.848 3.214 -15.249 694 1HG LYS 96 1HG LYS 96 3.371 1.855 -14.054 695 2HG LYS 96 2HG LYS 96 2.119 1.326 -12.927 696 1HD LYS 96 1HD LYS 96 2.253 -0.492 -14.336 697 2HD LYS 96 2HD LYS 96 0.959 0.436 -15.097 698 1HE LYS 96 1HE LYS 96 2.130 0.493 -16.981 699 2HE LYS 96 2HE LYS 96 3.402 1.388 -16.149 700 1HZ LYS 96 1HZ LYS 96 3.754 -1.230 -15.399 701 2HZ LYS 96 2HZ LYS 96 3.395 -1.311 -17.050 702 3HZ LYS 96 3HZ LYS 96 4.690 -0.365 -16.510 703 H LYS 97 H LYS 97 -0.665 4.868 -13.736 704 HA LYS 97 HA LYS 97 0.150 7.082 -15.413 705 1HB LYS 97 1HB LYS 97 -2.206 5.612 -15.103 706 2HB LYS 97 2HB LYS 97 -2.599 7.205 -14.474 707 1HG LYS 97 1HG LYS 97 -1.149 7.312 -16.992 708 2HG LYS 97 2HG LYS 97 -2.679 6.442 -17.107 709 1HD LYS 97 1HD LYS 97 -3.811 8.370 -16.048 710 2HD LYS 97 2HD LYS 97 -2.275 9.240 -16.052 711 1HE LYS 97 1HE LYS 97 -2.348 8.598 -18.622 712 2HE LYS 97 2HE LYS 97 -4.082 8.550 -18.308 713 1HZ LYS 97 1HZ LYS 97 -3.624 10.843 -17.218 714 2HZ LYS 97 2HZ LYS 97 -2.235 10.833 -18.183 715 3HZ LYS 97 3HZ LYS 97 -3.763 10.729 -18.900 716 H ILE 98 H ILE 98 -0.764 6.510 -12.102 717 HA ILE 98 HA ILE 98 -1.274 9.153 -11.312 718 HB ILE 98 HB ILE 98 -0.313 6.778 -9.745 719 1HG1 ILE 98 1HG1 ILE 98 -2.959 8.250 -9.775 720 2HG1 ILE 98 2HG1 ILE 98 -2.634 6.750 -10.638 721 1HG2 ILE 98 1HG2 ILE 98 -0.949 9.559 -8.777 722 2HG2 ILE 98 2HG2 ILE 98 -0.895 8.148 -7.722 723 3HG2 ILE 98 3HG2 ILE 98 0.558 8.664 -8.577 724 1HD1 ILE 98 1HD1 ILE 98 -1.967 5.911 -8.236 725 2HD1 ILE 98 2HD1 ILE 98 -3.031 7.227 -7.738 726 3HD1 ILE 98 3HD1 ILE 98 -3.646 5.938 -8.771 727 H VAL 99 H VAL 99 1.642 7.190 -11.108 728 HA VAL 99 HA VAL 99 3.322 9.276 -10.164 729 HB VAL 99 HB VAL 99 3.762 6.850 -9.801 730 1HG1 VAL 99 1HG1 VAL 99 4.411 6.929 -12.739 731 2HG1 VAL 99 2HG1 VAL 99 4.939 5.643 -11.655 732 3HG1 VAL 99 3HG1 VAL 99 3.218 5.920 -11.923 733 1HG2 VAL 99 1HG2 VAL 99 5.688 8.862 -10.666 734 2HG2 VAL 99 2HG2 VAL 99 5.710 7.803 -9.256 735 3HG2 VAL 99 3HG2 VAL 99 6.285 7.209 -10.815 736 H SER 100 H SER 100 2.243 8.290 -13.303 737 HA SER 100 HA SER 100 4.403 9.654 -14.685 738 1HB SER 100 1HB SER 100 3.379 7.573 -15.609 739 2HB SER 100 2HB SER 100 1.867 8.453 -15.823 740 HG SER 100 HG SER 100 3.634 8.281 -17.603 741 H ASP 101 H ASP 101 1.492 10.484 -13.233 742 HA ASP 101 HA ASP 101 0.785 12.617 -15.045 743 1HB ASP 101 1HB ASP 101 -0.577 11.156 -13.105 744 2HB ASP 101 2HB ASP 101 -0.441 12.770 -12.414 745 H GLY 102 H GLY 102 3.168 12.277 -12.759 746 1HA GLY 102 1HA GLY 102 3.104 15.163 -12.130 747 2HA GLY 102 2HA GLY 102 4.572 14.350 -12.645 748 H ASN 103 H ASN 103 2.108 13.259 -10.331 749 HA ASN 103 HA ASN 103 3.963 13.678 -8.123 750 1HB ASN 103 1HB ASN 103 1.046 12.993 -8.316 751 2HB ASN 103 2HB ASN 103 1.921 12.740 -6.809 752 2HD2 ASN 103 2HD2 ASN 103 2.469 14.461 -5.566 753 1HD2 ASN 103 1HD2 ASN 103 1.994 16.086 -5.911 754 H GLY 104 H GLY 104 5.431 12.142 -7.774 755 1HA GLY 104 1HA GLY 104 6.430 10.058 -7.798 756 2HA GLY 104 2HA GLY 104 5.005 9.418 -8.598 757 H MET 105 H MET 105 6.802 9.056 -5.936 758 HA MET 105 HA MET 105 4.772 7.613 -4.526 759 1HB MET 105 1HB MET 105 7.377 8.265 -3.236 760 2HB MET 105 2HB MET 105 6.486 6.751 -3.255 761 1HG MET 105 1HG MET 105 8.116 7.901 -5.506 762 2HG MET 105 2HG MET 105 8.547 6.531 -4.483 763 1HE MET 105 1HE MET 105 6.446 4.992 -3.957 764 2HE MET 105 2HE MET 105 4.962 5.286 -4.863 765 3HE MET 105 3HE MET 105 5.986 3.908 -5.270 766 H ASN 106 H ASN 106 5.687 10.802 -4.693 767 HA ASN 106 HA ASN 106 5.352 11.571 -1.971 768 1HB ASN 106 1HB ASN 106 4.999 13.509 -4.208 769 2HB ASN 106 2HB ASN 106 5.895 13.670 -2.708 770 2HD2 ASN 106 2HD2 ASN 106 6.126 13.170 -5.988 771 1HD2 ASN 106 1HD2 ASN 106 7.772 12.652 -6.061 772 H ALA 107 H ALA 107 3.267 11.173 -4.739 773 HA ALA 107 HA ALA 107 1.102 12.761 -4.085 774 1HB ALA 107 1HB ALA 107 1.628 10.575 -5.843 775 2HB ALA 107 2HB ALA 107 0.062 10.328 -5.072 776 3HB ALA 107 3HB ALA 107 0.382 11.816 -5.962 777 H TRP 108 H TRP 108 1.770 9.434 -3.062 778 HA TRP 108 HA TRP 108 -0.523 9.360 -1.335 779 1HB TRP 108 1HB TRP 108 1.777 7.412 -1.586 780 2HB TRP 108 2HB TRP 108 0.241 7.112 -0.772 781 HD1 TRP 108 HD1 TRP 108 -1.967 6.944 -2.372 782 HE1 TRP 108 HE1 TRP 108 -2.198 6.216 -4.830 783 HE3 TRP 108 HE3 TRP 108 2.913 7.399 -3.818 784 HZ2 TRP 108 HZ2 TRP 108 -0.531 5.871 -7.093 785 HZ3 TRP 108 HZ3 TRP 108 3.513 6.857 -6.137 786 HH2 TRP 108 HH2 TRP 108 1.828 6.105 -7.739 787 H VAL 109 H VAL 109 -0.608 9.601 0.805 788 HA VAL 109 HA VAL 109 1.471 11.078 2.090 789 HB VAL 109 HB VAL 109 -0.770 10.033 3.616 790 1HG1 VAL 109 1HG1 VAL 109 0.664 12.657 3.439 791 2HG1 VAL 109 2HG1 VAL 109 -0.791 12.430 4.408 792 3HG1 VAL 109 3HG1 VAL 109 0.666 11.506 4.774 793 1HG2 VAL 109 1HG2 VAL 109 -1.050 11.798 1.242 794 2HG2 VAL 109 2HG2 VAL 109 -2.107 10.504 1.808 795 3HG2 VAL 109 3HG2 VAL 109 -2.099 12.062 2.635 796 H ALA 110 H ALA 110 0.722 7.732 2.002 797 HA ALA 110 HA ALA 110 1.746 7.118 4.606 798 1HB ALA 110 1HB ALA 110 1.771 5.020 2.522 799 2HB ALA 110 2HB ALA 110 1.162 4.970 4.177 800 3HB ALA 110 3HB ALA 110 0.203 5.732 2.907 801 H TRP 111 H TRP 111 3.061 7.423 1.401 802 HA TRP 111 HA TRP 111 5.615 6.303 2.159 803 1HB TRP 111 1HB TRP 111 4.874 6.061 -0.159 804 2HB TRP 111 2HB TRP 111 4.795 7.806 -0.340 805 HD1 TRP 111 HD1 TRP 111 7.216 4.905 -0.416 806 HE1 TRP 111 HE1 TRP 111 9.532 5.746 -1.161 807 HE3 TRP 111 HE3 TRP 111 6.354 9.942 -0.220 808 HZ2 TRP 111 HZ2 TRP 111 10.823 8.216 -1.605 809 HZ3 TRP 111 HZ3 TRP 111 8.182 11.475 -0.821 810 HH2 TRP 111 HH2 TRP 111 10.370 10.628 -1.499 811 H ARG 112 H ARG 112 4.085 9.457 1.889 812 HA ARG 112 HA ARG 112 6.579 10.822 2.529 813 1HB ARG 112 1HB ARG 112 3.892 11.607 1.567 814 2HB ARG 112 2HB ARG 112 4.758 12.773 2.557 815 1HG ARG 112 1HG ARG 112 6.703 12.109 0.826 816 2HG ARG 112 2HG ARG 112 5.285 11.859 -0.194 817 1HD ARG 112 1HD ARG 112 5.524 14.064 -0.603 818 2HD ARG 112 2HD ARG 112 4.653 14.226 0.921 819 HE ARG 112 HE ARG 112 7.405 14.055 1.451 820 1HH1 ARG 112 1HH1 ARG 112 5.075 16.229 0.039 821 2HH1 ARG 112 2HH1 ARG 112 5.975 17.655 0.436 822 1HH2 ARG 112 1HH2 ARG 112 8.594 15.927 1.977 823 2HH2 ARG 112 2HH2 ARG 112 7.975 17.484 1.537 824 H ASN 113 H ASN 113 5.914 9.143 4.525 825 HA ASN 113 HA ASN 113 5.438 10.972 6.709 826 1HB ASN 113 1HB ASN 113 3.212 9.740 5.796 827 2HB ASN 113 2HB ASN 113 3.779 8.531 6.944 828 2HD2 ASN 113 2HD2 ASN 113 1.467 10.444 6.903 829 1HD2 ASN 113 1HD2 ASN 113 1.551 11.254 8.427 830 H ARG 114 H ARG 114 5.550 7.486 6.018 831 HA ARG 114 HA ARG 114 7.564 7.223 8.150 832 1HB ARG 114 1HB ARG 114 5.258 5.550 7.336 833 2HB ARG 114 2HB ARG 114 6.700 4.710 7.873 834 1HG ARG 114 1HG ARG 114 5.672 6.933 9.549 835 2HG ARG 114 2HG ARG 114 4.792 5.403 9.550 836 1HD ARG 114 1HD ARG 114 6.755 4.210 10.249 837 2HD ARG 114 2HD ARG 114 7.748 5.657 10.079 838 HE ARG 114 HE ARG 114 6.031 4.978 12.285 839 1HH1 ARG 114 1HH1 ARG 114 7.620 7.565 10.575 840 2HH1 ARG 114 2HH1 ARG 114 7.625 8.635 11.938 841 1HH2 ARG 114 1HH2 ARG 114 6.034 6.379 14.083 842 2HH2 ARG 114 2HH2 ARG 114 6.725 7.960 13.932 843 H CYS 115 H CYS 115 7.459 7.431 4.932 844 HA CYS 115 HA CYS 115 9.466 5.314 4.533 845 1HB CYS 115 1HB CYS 115 7.449 6.529 2.676 846 2HB CYS 115 2HB CYS 115 8.891 5.744 2.039 847 H LYS 116 H LYS 116 8.661 8.629 3.477 848 HA LYS 116 HA LYS 116 11.131 9.166 2.268 849 1HB LYS 116 1HB LYS 116 8.941 10.480 2.095 850 2HB LYS 116 2HB LYS 116 9.411 11.247 3.607 851 1HG LYS 116 1HG LYS 116 11.621 11.771 2.342 852 2HG LYS 116 2HG LYS 116 10.645 11.482 0.901 853 1HD LYS 116 1HD LYS 116 9.405 13.359 1.201 854 2HD LYS 116 2HD LYS 116 9.468 13.247 2.961 855 1HE LYS 116 1HE LYS 116 12.072 13.750 2.356 856 2HE LYS 116 2HE LYS 116 11.241 14.649 1.087 857 1HZ LYS 116 1HZ LYS 116 10.362 14.930 3.880 858 2HZ LYS 116 2HZ LYS 116 11.730 15.774 3.349 859 3HZ LYS 116 3HZ LYS 116 10.234 16.031 2.602 860 H GLY 117 H GLY 117 12.819 8.475 3.589 861 1HA GLY 117 1HA GLY 117 13.131 9.894 6.150 862 2HA GLY 117 2HA GLY 117 14.413 9.960 4.952 863 H THR 118 H THR 118 13.228 6.975 4.509 864 HA THR 118 HA THR 118 14.963 5.802 6.582 865 HB THR 118 HB THR 118 13.584 3.744 6.385 866 HG1 THR 118 HG1 THR 118 11.361 4.554 5.369 867 1HG2 THR 118 1HG2 THR 118 13.147 5.703 8.022 868 2HG2 THR 118 2HG2 THR 118 11.734 6.018 7.017 869 3HG2 THR 118 3HG2 THR 118 11.906 4.464 7.832 870 H ASP 119 H ASP 119 14.640 3.150 5.274 871 HA ASP 119 HA ASP 119 16.274 3.585 2.881 872 1HB ASP 119 1HB ASP 119 17.416 2.788 5.077 873 2HB ASP 119 2HB ASP 119 16.789 1.244 4.549 874 H VAL 120 H VAL 120 14.763 3.128 1.372 875 HA VAL 120 HA VAL 120 12.943 0.951 1.557 876 HB VAL 120 HB VAL 120 12.471 1.443 -0.843 877 1HG1 VAL 120 1HG1 VAL 120 11.366 2.615 1.083 878 2HG1 VAL 120 2HG1 VAL 120 12.501 3.942 0.837 879 3HG1 VAL 120 3HG1 VAL 120 11.362 3.508 -0.438 880 1HG2 VAL 120 1HG2 VAL 120 15.010 2.525 -0.842 881 2HG2 VAL 120 2HG2 VAL 120 13.808 2.692 -2.122 882 3HG2 VAL 120 3HG2 VAL 120 13.960 3.941 -0.885 883 H GLN 121 H GLN 121 16.091 1.452 0.078 884 HA GLN 121 HA GLN 121 16.187 -0.840 -1.533 885 1HB GLN 121 1HB GLN 121 18.275 0.854 -0.198 886 2HB GLN 121 2HB GLN 121 18.742 -0.628 -1.019 887 1HG GLN 121 1HG GLN 121 18.839 0.528 -2.899 888 2HG GLN 121 2HG GLN 121 17.085 0.700 -2.819 889 2HE2 GLN 121 2HE2 GLN 121 19.920 2.343 -3.080 890 1HE2 GLN 121 1HE2 GLN 121 19.403 3.900 -2.542 891 H ALA 122 H ALA 122 16.356 -0.387 1.861 892 HA ALA 122 HA ALA 122 17.454 -3.031 2.375 893 1HB ALA 122 1HB ALA 122 17.397 -0.590 3.794 894 2HB ALA 122 2HB ALA 122 16.490 -1.765 4.745 895 3HB ALA 122 3HB ALA 122 18.153 -2.111 4.271 896 H TRP 123 H TRP 123 14.405 -1.443 2.085 897 HA TRP 123 HA TRP 123 12.823 -3.082 3.737 898 1HB TRP 123 1HB TRP 123 12.312 -1.282 1.426 899 2HB TRP 123 2HB TRP 123 11.050 -2.438 1.841 900 HD1 TRP 123 HD1 TRP 123 11.524 0.968 2.359 901 HE1 TRP 123 HE1 TRP 123 10.650 1.812 4.628 902 HE3 TRP 123 HE3 TRP 123 11.182 -3.472 4.841 903 HZ2 TRP 123 HZ2 TRP 123 9.925 0.704 7.111 904 HZ3 TRP 123 HZ3 TRP 123 10.393 -3.501 7.151 905 HH2 TRP 123 HH2 TRP 123 9.771 -1.432 8.276 906 H ILE 124 H ILE 124 14.459 -3.798 0.848 907 HA ILE 124 HA ILE 124 12.931 -6.306 0.577 908 HB ILE 124 HB ILE 124 13.742 -6.265 -1.847 909 1HG1 ILE 124 1HG1 ILE 124 13.638 -3.341 -1.875 910 2HG1 ILE 124 2HG1 ILE 124 15.039 -3.972 -1.015 911 1HG2 ILE 124 1HG2 ILE 124 11.559 -4.619 -0.670 912 2HG2 ILE 124 2HG2 ILE 124 11.844 -4.549 -2.408 913 3HG2 ILE 124 3HG2 ILE 124 11.467 -6.090 -1.639 914 1HD1 ILE 124 1HD1 ILE 124 15.097 -5.494 -3.241 915 2HD1 ILE 124 2HD1 ILE 124 14.405 -4.001 -3.876 916 3HD1 ILE 124 3HD1 ILE 124 15.964 -3.970 -3.052 917 H ARG 125 H ARG 125 15.550 -5.267 1.881 918 HA ARG 125 HA ARG 125 17.691 -6.638 0.636 919 1HB ARG 125 1HB ARG 125 17.258 -5.122 3.082 920 2HB ARG 125 2HB ARG 125 18.338 -6.485 3.336 921 1HG ARG 125 1HG ARG 125 19.562 -5.616 1.238 922 2HG ARG 125 2HG ARG 125 18.681 -4.118 1.545 923 1HD ARG 125 1HD ARG 125 19.995 -3.579 3.268 924 2HD ARG 125 2HD ARG 125 19.912 -5.206 3.944 925 HE ARG 125 HE ARG 125 21.891 -5.722 2.891 926 1HH1 ARG 125 1HH1 ARG 125 20.684 -2.678 1.699 927 2HH1 ARG 125 2HH1 ARG 125 22.142 -2.286 0.849 928 1HH2 ARG 125 1HH2 ARG 125 23.815 -5.213 1.775 929 2HH2 ARG 125 2HH2 ARG 125 23.920 -3.727 0.892 930 H GLY 126 H GLY 126 17.134 -8.754 0.183 931 1HA GLY 126 1HA GLY 126 16.592 -10.479 2.518 932 2HA GLY 126 2HA GLY 126 17.814 -10.906 1.331 933 H CYS 127 H CYS 127 15.235 -9.384 -0.166 934 HA CYS 127 HA CYS 127 13.465 -11.588 -0.403 935 1HB CYS 127 1HB CYS 127 13.654 -8.902 -1.505 936 2HB CYS 127 2HB CYS 127 12.723 -10.047 -2.448 937 H ARG 128 H ARG 128 12.782 -12.024 -2.891 938 HA ARG 128 HA ARG 128 15.166 -12.550 -4.491 939 1HB ARG 128 1HB ARG 128 13.340 -14.644 -3.359 940 2HB ARG 128 2HB ARG 128 14.159 -14.919 -4.890 941 1HG ARG 128 1HG ARG 128 15.905 -15.651 -3.745 942 2HG ARG 128 2HG ARG 128 16.141 -14.006 -3.150 943 1HD ARG 128 1HD ARG 128 15.966 -15.102 -1.159 944 2HD ARG 128 2HD ARG 128 14.264 -14.737 -1.440 945 HE ARG 128 HE ARG 128 14.680 -17.188 -2.602 946 1HH1 ARG 128 1HH1 ARG 128 15.056 -15.834 0.587 947 2HH1 ARG 128 2HH1 ARG 128 14.745 -17.332 1.399 948 1HH2 ARG 128 1HH2 ARG 128 14.269 -19.164 -1.541 949 2HH2 ARG 128 2HH2 ARG 128 14.298 -19.224 0.190 950 H LEU 129 H LEU 129 14.643 -11.452 -6.276 951 HA LEU 129 HA LEU 129 12.165 -12.190 -7.655 952 1HB LEU 129 1HB LEU 129 11.993 -9.736 -8.355 953 2HB LEU 129 2HB LEU 129 11.472 -10.163 -6.737 954 HG LEU 129 HG LEU 129 14.278 -9.370 -6.844 955 1HD1 LEU 129 1HD1 LEU 129 13.098 -7.971 -8.664 956 2HD1 LEU 129 2HD1 LEU 129 12.317 -7.158 -7.308 957 3HD1 LEU 129 3HD1 LEU 129 14.075 -7.143 -7.452 958 1HD2 LEU 129 1HD2 LEU 129 11.943 -9.160 -5.123 959 2HD2 LEU 129 2HD2 LEU 129 13.657 -9.199 -4.708 960 3HD2 LEU 129 3HD2 LEU 129 12.895 -7.677 -5.169 No H/Q in entry = 960 Start of MODEL 50 1 H1 LYS 1 H1 LYS 1 -6.217 -10.326 2.837 2 H2 LYS 1 H2 LYS 1 -7.366 -10.480 1.606 3 H3 LYS 1 H3 LYS 1 -7.104 -11.758 2.685 4 HA LYS 1 HA LYS 1 -5.069 -12.315 1.775 5 1HB LYS 1 1HB LYS 1 -7.130 -11.510 -0.245 6 2HB LYS 1 2HB LYS 1 -5.589 -12.154 -0.795 7 1HG LYS 1 1HG LYS 1 -6.049 -14.251 -0.075 8 2HG LYS 1 2HG LYS 1 -7.009 -13.689 1.295 9 1HD LYS 1 1HD LYS 1 -8.654 -14.571 -0.043 10 2HD LYS 1 2HD LYS 1 -8.654 -12.894 -0.591 11 1HE LYS 1 1HE LYS 1 -8.704 -14.402 -2.491 12 2HE LYS 1 2HE LYS 1 -7.180 -13.515 -2.453 13 1HZ LYS 1 1HZ LYS 1 -7.535 -16.275 -1.418 14 2HZ LYS 1 2HZ LYS 1 -6.921 -15.902 -2.950 15 3HZ LYS 1 3HZ LYS 1 -6.079 -15.427 -1.563 16 H VAL 2 H VAL 2 -3.515 -10.776 2.464 17 HA VAL 2 HA VAL 2 -3.032 -8.454 0.773 18 HB VAL 2 HB VAL 2 -1.741 -9.415 3.327 19 1HG1 VAL 2 1HG1 VAL 2 -0.341 -8.062 1.457 20 2HG1 VAL 2 2HG1 VAL 2 -1.085 -6.722 2.327 21 3HG1 VAL 2 3HG1 VAL 2 -0.083 -7.884 3.192 22 1HG2 VAL 2 1HG2 VAL 2 -3.894 -7.578 2.654 23 2HG2 VAL 2 2HG2 VAL 2 -3.481 -8.321 4.199 24 3HG2 VAL 2 3HG2 VAL 2 -2.661 -6.847 3.681 25 H PHE 3 H PHE 3 -1.086 -8.095 -0.367 26 HA PHE 3 HA PHE 3 0.064 -10.349 -1.624 27 1HB PHE 3 1HB PHE 3 0.541 -7.398 -1.629 28 2HB PHE 3 2HB PHE 3 1.793 -8.444 -2.284 29 HD1 PHE 3 HD1 PHE 3 1.265 -9.909 -4.226 30 HD2 PHE 3 HD2 PHE 3 -1.409 -6.914 -2.827 31 HE1 PHE 3 HE1 PHE 3 0.085 -9.963 -6.381 32 HE2 PHE 3 HE2 PHE 3 -2.595 -6.958 -4.978 33 HZ PHE 3 HZ PHE 3 -1.849 -8.486 -6.761 34 H GLY 4 H GLY 4 2.400 -10.752 -1.673 35 1HA GLY 4 1HA GLY 4 4.085 -11.734 -0.348 36 2HA GLY 4 2HA GLY 4 3.486 -10.827 1.036 37 H ARG 5 H ARG 5 5.689 -10.193 1.479 38 HA ARG 5 HA ARG 5 6.340 -7.650 0.602 39 1HB ARG 5 1HB ARG 5 8.234 -9.750 1.672 40 2HB ARG 5 2HB ARG 5 8.560 -8.025 1.599 41 1HG ARG 5 1HG ARG 5 7.824 -8.004 3.705 42 2HG ARG 5 2HG ARG 5 6.217 -8.078 2.981 43 1HD ARG 5 1HD ARG 5 6.347 -10.560 3.101 44 2HD ARG 5 2HD ARG 5 7.871 -10.394 3.971 45 HE ARG 5 HE ARG 5 5.434 -9.152 5.039 46 1HH1 ARG 5 1HH1 ARG 5 8.029 -11.462 5.316 47 2HH1 ARG 5 2HH1 ARG 5 7.705 -11.819 6.979 48 1HH2 ARG 5 1HH2 ARG 5 5.002 -9.616 7.229 49 2HH2 ARG 5 2HH2 ARG 5 5.985 -10.771 8.066 50 H CYS 6 H CYS 6 8.179 -10.589 -0.277 51 HA CYS 6 HA CYS 6 9.274 -9.177 -2.540 52 1HB CYS 6 1HB CYS 6 9.634 -12.116 -2.130 53 2HB CYS 6 2HB CYS 6 10.737 -10.925 -2.813 54 H GLU 7 H GLU 7 6.854 -11.670 -1.951 55 HA GLU 7 HA GLU 7 6.459 -12.665 -4.489 56 1HB GLU 7 1HB GLU 7 4.754 -12.252 -2.121 57 2HB GLU 7 2HB GLU 7 3.870 -12.324 -3.639 58 1HG GLU 7 1HG GLU 7 5.874 -14.414 -2.865 59 2HG GLU 7 2HG GLU 7 4.188 -14.495 -2.361 60 H LEU 8 H LEU 8 5.060 -9.740 -3.073 61 HA LEU 8 HA LEU 8 3.834 -8.841 -5.448 62 1HB LEU 8 1HB LEU 8 2.989 -7.759 -3.587 63 2HB LEU 8 2HB LEU 8 4.570 -7.562 -2.851 64 HG LEU 8 HG LEU 8 4.773 -6.008 -5.117 65 1HD1 LEU 8 1HD1 LEU 8 2.028 -6.429 -4.751 66 2HD1 LEU 8 2HD1 LEU 8 2.361 -4.796 -4.172 67 3HD1 LEU 8 3HD1 LEU 8 2.815 -5.259 -5.811 68 1HD2 LEU 8 1HD2 LEU 8 4.144 -5.392 -2.256 69 2HD2 LEU 8 2HD2 LEU 8 5.666 -5.209 -3.128 70 3HD2 LEU 8 3HD2 LEU 8 4.328 -4.106 -3.450 71 H ALA 9 H ALA 9 7.051 -8.218 -3.975 72 HA ALA 9 HA ALA 9 7.889 -6.227 -5.727 73 1HB ALA 9 1HB ALA 9 9.285 -6.574 -3.922 74 2HB ALA 9 2HB ALA 9 10.218 -7.223 -5.270 75 3HB ALA 9 3HB ALA 9 9.362 -8.317 -4.183 76 H ALA 10 H ALA 10 8.379 -9.755 -6.061 77 HA ALA 10 HA ALA 10 9.712 -9.778 -8.468 78 1HB ALA 10 1HB ALA 10 9.093 -12.029 -8.685 79 2HB ALA 10 2HB ALA 10 7.561 -11.780 -7.848 80 3HB ALA 10 3HB ALA 10 9.075 -11.744 -6.945 81 H ALA 11 H ALA 11 6.246 -9.549 -7.815 82 HA ALA 11 HA ALA 11 5.444 -9.572 -10.520 83 1HB ALA 11 1HB ALA 11 4.066 -8.560 -8.058 84 2HB ALA 11 2HB ALA 11 3.808 -10.101 -8.876 85 3HB ALA 11 3HB ALA 11 3.307 -8.597 -9.650 86 H MET 12 H MET 12 6.262 -7.071 -8.311 87 HA MET 12 HA MET 12 5.541 -4.832 -9.841 88 1HB MET 12 1HB MET 12 7.914 -4.901 -7.995 89 2HB MET 12 2HB MET 12 6.898 -3.534 -8.380 90 1HG MET 12 1HG MET 12 5.552 -5.831 -7.139 91 2HG MET 12 2HG MET 12 6.681 -4.940 -6.122 92 1HE MET 12 1HE MET 12 6.289 -2.095 -7.719 93 2HE MET 12 2HE MET 12 5.146 -1.282 -6.650 94 3HE MET 12 3HE MET 12 6.510 -2.171 -5.971 95 H LYS 13 H LYS 13 8.661 -6.512 -9.559 96 HA LYS 13 HA LYS 13 10.156 -4.949 -11.289 97 1HB LYS 13 1HB LYS 13 10.659 -7.196 -9.857 98 2HB LYS 13 2HB LYS 13 10.589 -7.873 -11.478 99 1HG LYS 13 1HG LYS 13 12.231 -5.439 -11.094 100 2HG LYS 13 2HG LYS 13 12.834 -6.949 -10.409 101 1HD LYS 13 1HD LYS 13 11.825 -7.050 -13.191 102 2HD LYS 13 2HD LYS 13 13.341 -6.186 -12.923 103 1HE LYS 13 1HE LYS 13 14.456 -8.075 -12.243 104 2HE LYS 13 2HE LYS 13 12.984 -8.877 -11.697 105 1HZ LYS 13 1HZ LYS 13 12.784 -8.466 -14.455 106 2HZ LYS 13 2HZ LYS 13 14.300 -9.152 -14.151 107 3HZ LYS 13 3HZ LYS 13 12.896 -9.934 -13.623 108 H ARG 14 H ARG 14 8.019 -7.673 -11.945 109 HA ARG 14 HA ARG 14 8.457 -7.766 -14.734 110 1HB ARG 14 1HB ARG 14 6.720 -9.048 -12.802 111 2HB ARG 14 2HB ARG 14 5.835 -8.646 -14.267 112 1HG ARG 14 1HG ARG 14 8.135 -9.735 -15.263 113 2HG ARG 14 2HG ARG 14 7.866 -10.685 -13.800 114 1HD ARG 14 1HD ARG 14 5.747 -11.399 -14.528 115 2HD ARG 14 2HD ARG 14 5.676 -10.169 -15.788 116 HE ARG 14 HE ARG 14 7.229 -11.443 -17.063 117 1HH1 ARG 14 1HH1 ARG 14 6.120 -13.030 -14.166 118 2HH1 ARG 14 2HH1 ARG 14 6.582 -14.612 -14.702 119 1HH2 ARG 14 1HH2 ARG 14 7.841 -13.520 -17.776 120 2HH2 ARG 14 2HH2 ARG 14 7.561 -14.891 -16.752 121 H HIS 15 H HIS 15 6.171 -6.017 -12.667 122 HA HIS 15 HA HIS 15 4.672 -4.942 -14.819 123 1HB HIS 15 1HB HIS 15 4.873 -4.311 -11.883 124 2HB HIS 15 2HB HIS 15 3.814 -3.412 -12.964 125 HD1 HIS 15 HD1 HIS 15 2.158 -4.554 -11.007 126 HD2 HIS 15 HD2 HIS 15 3.572 -6.968 -14.078 127 HE1 HIS 15 HE1 HIS 15 0.606 -6.524 -11.075 128 HE2 HIS 15 HE2 HIS 15 1.537 -8.023 -12.876 129 H GLY 16 H GLY 16 7.805 -4.178 -13.728 130 1HA GLY 16 1HA GLY 16 7.764 -1.824 -15.343 131 2HA GLY 16 2HA GLY 16 9.156 -2.557 -14.578 132 H LEU 17 H LEU 17 7.648 -2.341 -11.834 133 HA LEU 17 HA LEU 17 7.509 0.519 -11.578 134 1HB LEU 17 1HB LEU 17 7.601 -1.342 -9.240 135 2HB LEU 17 2HB LEU 17 6.813 0.215 -9.365 136 HG LEU 17 HG LEU 17 5.803 -2.455 -9.961 137 1HD1 LEU 17 1HD1 LEU 17 5.040 -0.256 -8.497 138 2HD1 LEU 17 2HD1 LEU 17 3.930 -0.227 -9.868 139 3HD1 LEU 17 3HD1 LEU 17 4.036 -1.662 -8.848 140 1HD2 LEU 17 1HD2 LEU 17 5.487 -0.263 -11.984 141 2HD2 LEU 17 2HD2 LEU 17 5.804 -1.979 -12.241 142 3HD2 LEU 17 3HD2 LEU 17 4.204 -1.446 -11.727 143 H ASP 18 H ASP 18 9.927 -1.669 -11.670 144 HA ASP 18 HA ASP 18 11.722 -0.477 -9.766 145 1HB ASP 18 1HB ASP 18 12.150 -2.762 -10.225 146 2HB ASP 18 2HB ASP 18 12.079 -2.510 -11.965 147 H ASN 19 H ASN 19 11.733 1.689 -10.283 148 HA ASN 19 HA ASN 19 12.837 3.519 -11.139 149 1HB ASN 19 1HB ASN 19 14.361 1.564 -12.291 150 2HB ASN 19 2HB ASN 19 13.650 2.325 -13.711 151 2HD2 ASN 19 2HD2 ASN 19 15.133 3.603 -14.549 152 1HD2 ASN 19 1HD2 ASN 19 16.087 4.755 -13.683 153 H TYR 20 H TYR 20 10.167 2.860 -11.403 154 HA TYR 20 HA TYR 20 9.347 3.501 -14.123 155 1HB TYR 20 1HB TYR 20 8.145 1.821 -12.644 156 2HB TYR 20 2HB TYR 20 7.526 3.200 -11.739 157 HD1 TYR 20 HD1 TYR 20 7.479 1.482 -15.000 158 HD2 TYR 20 HD2 TYR 20 5.778 4.575 -12.627 159 HE1 TYR 20 HE1 TYR 20 5.654 1.721 -16.631 160 HE2 TYR 20 HE2 TYR 20 3.947 4.821 -14.250 161 HH TYR 20 HH TYR 20 3.362 4.332 -16.455 162 H ARG 21 H ARG 21 8.987 5.497 -14.828 163 HA ARG 21 HA ARG 21 8.724 7.757 -14.856 164 1HB ARG 21 1HB ARG 21 6.646 6.845 -13.370 165 2HB ARG 21 2HB ARG 21 7.435 7.885 -12.193 166 1HG ARG 21 1HG ARG 21 5.670 9.042 -13.442 167 2HG ARG 21 2HG ARG 21 7.255 9.777 -13.681 168 1HD ARG 21 1HD ARG 21 7.302 8.133 -15.753 169 2HD ARG 21 2HD ARG 21 5.551 8.253 -15.585 170 HE ARG 21 HE ARG 21 5.668 10.515 -16.161 171 1HH1 ARG 21 1HH1 ARG 21 8.828 9.050 -16.040 172 2HH1 ARG 21 2HH1 ARG 21 9.602 10.343 -16.892 173 1HH2 ARG 21 1HH2 ARG 21 6.679 12.222 -17.285 174 2HH2 ARG 21 2HH2 ARG 21 8.381 12.147 -17.600 175 H GLY 22 H GLY 22 10.806 6.251 -13.329 176 1HA GLY 22 1HA GLY 22 12.040 8.601 -12.096 177 2HA GLY 22 2HA GLY 22 12.887 7.171 -12.657 178 H TYR 23 H TYR 23 10.372 5.852 -10.966 179 HA TYR 23 HA TYR 23 11.850 6.122 -8.450 180 1HB TYR 23 1HB TYR 23 8.961 5.818 -9.039 181 2HB TYR 23 2HB TYR 23 9.578 5.089 -7.556 182 HD1 TYR 23 HD1 TYR 23 11.312 6.767 -6.285 183 HD2 TYR 23 HD2 TYR 23 8.086 7.941 -8.798 184 HE1 TYR 23 HE1 TYR 23 11.257 8.961 -5.177 185 HE2 TYR 23 HE2 TYR 23 8.021 10.137 -7.694 186 HH TYR 23 HH TYR 23 10.431 11.370 -5.904 187 H SER 24 H SER 24 12.906 4.502 -7.640 188 HA SER 24 HA SER 24 13.016 2.007 -9.007 189 1HB SER 24 1HB SER 24 14.673 1.394 -7.294 190 2HB SER 24 2HB SER 24 15.009 2.992 -7.960 191 HG SER 24 HG SER 24 15.167 3.154 -5.756 192 H LEU 25 H LEU 25 12.743 -0.055 -7.999 193 HA LEU 25 HA LEU 25 10.257 -0.682 -7.172 194 1HB LEU 25 1HB LEU 25 12.875 -1.960 -7.049 195 2HB LEU 25 2HB LEU 25 11.764 -2.550 -5.828 196 HG LEU 25 HG LEU 25 10.984 -2.415 -8.724 197 1HD1 LEU 25 1HD1 LEU 25 12.517 -4.562 -7.283 198 2HD1 LEU 25 2HD1 LEU 25 11.556 -4.886 -8.727 199 3HD1 LEU 25 3HD1 LEU 25 12.913 -3.762 -8.805 200 1HD2 LEU 25 1HD2 LEU 25 9.733 -3.218 -6.270 201 2HD2 LEU 25 2HD2 LEU 25 9.046 -3.102 -7.890 202 3HD2 LEU 25 3HD2 LEU 25 9.842 -4.589 -7.374 203 H GLY 26 H GLY 26 12.989 -0.268 -4.899 204 1HA GLY 26 1HA GLY 26 13.015 0.505 -2.734 205 2HA GLY 26 2HA GLY 26 11.790 -0.731 -2.519 206 H ASN 27 H ASN 27 11.500 2.304 -4.339 207 HA ASN 27 HA ASN 27 10.159 3.734 -2.308 208 1HB ASN 27 1HB ASN 27 10.051 4.123 -5.303 209 2HB ASN 27 2HB ASN 27 9.519 5.295 -4.103 210 2HD2 ASN 27 2HD2 ASN 27 11.963 4.526 -6.113 211 1HD2 ASN 27 1HD2 ASN 27 13.276 5.302 -5.302 212 H TRP 28 H TRP 28 9.046 1.545 -4.780 213 HA TRP 28 HA TRP 28 6.268 2.163 -4.472 214 1HB TRP 28 1HB TRP 28 7.583 -0.198 -5.809 215 2HB TRP 28 2HB TRP 28 5.898 0.298 -5.988 216 HD1 TRP 28 HD1 TRP 28 9.390 1.135 -7.157 217 HE1 TRP 28 HE1 TRP 28 9.270 2.948 -8.964 218 HE3 TRP 28 HE3 TRP 28 4.444 2.293 -6.784 219 HZ2 TRP 28 HZ2 TRP 28 7.355 4.670 -10.104 220 HZ3 TRP 28 HZ3 TRP 28 3.504 4.017 -8.255 221 HH2 TRP 28 HH2 TRP 28 4.932 5.189 -9.893 222 H VAL 29 H VAL 29 8.472 -0.259 -3.126 223 HA VAL 29 HA VAL 29 6.415 -1.853 -2.001 224 HB VAL 29 HB VAL 29 9.339 -1.625 -1.276 225 1HG1 VAL 29 1HG1 VAL 29 7.245 -3.610 -0.416 226 2HG1 VAL 29 2HG1 VAL 29 8.978 -3.889 -0.256 227 3HG1 VAL 29 3HG1 VAL 29 8.218 -2.553 0.606 228 1HG2 VAL 29 1HG2 VAL 29 8.011 -2.792 -3.505 229 2HG2 VAL 29 2HG2 VAL 29 9.733 -2.795 -3.119 230 3HG2 VAL 29 3HG2 VAL 29 8.691 -4.086 -2.519 231 H CYS 30 H CYS 30 8.607 0.597 -0.646 232 HA CYS 30 HA CYS 30 7.622 0.509 1.966 233 1HB CYS 30 1HB CYS 30 9.729 1.662 1.120 234 2HB CYS 30 2HB CYS 30 8.687 2.996 0.636 235 H ALA 31 H ALA 31 6.669 2.588 -0.776 236 HA ALA 31 HA ALA 31 4.781 4.123 0.607 237 1HB ALA 31 1HB ALA 31 5.340 3.513 -2.242 238 2HB ALA 31 2HB ALA 31 3.774 4.220 -1.847 239 3HB ALA 31 3HB ALA 31 5.258 5.066 -1.410 240 H ALA 32 H ALA 32 4.405 1.132 -1.267 241 HA ALA 32 HA ALA 32 1.602 0.946 -0.944 242 1HB ALA 32 1HB ALA 32 2.730 -0.227 -2.729 243 2HB ALA 32 2HB ALA 32 3.635 -1.192 -1.562 244 3HB ALA 32 3HB ALA 32 1.887 -1.384 -1.698 245 H LYS 33 H LYS 33 4.316 -0.477 0.860 246 HA LYS 33 HA LYS 33 2.978 -2.196 2.521 247 1HB LYS 33 1HB LYS 33 5.461 -1.855 2.362 248 2HB LYS 33 2HB LYS 33 5.270 -0.434 3.379 249 1HG LYS 33 1HG LYS 33 3.982 -2.326 4.848 250 2HG LYS 33 2HG LYS 33 5.264 -3.271 4.086 251 1HD LYS 33 1HD LYS 33 6.067 -0.662 5.213 252 2HD LYS 33 2HD LYS 33 5.584 -1.896 6.379 253 1HE LYS 33 1HE LYS 33 7.969 -2.016 6.008 254 2HE LYS 33 2HE LYS 33 7.192 -3.456 5.350 255 1HZ LYS 33 1HZ LYS 33 7.308 -2.456 3.146 256 2HZ LYS 33 2HZ LYS 33 8.074 -1.090 3.785 257 3HZ LYS 33 3HZ LYS 33 8.849 -2.594 3.832 258 H PHE 34 H PHE 34 3.753 1.208 3.286 259 HA PHE 34 HA PHE 34 2.143 1.126 5.619 260 1HB PHE 34 1HB PHE 34 3.785 3.117 4.289 261 2HB PHE 34 2HB PHE 34 2.513 3.750 5.314 262 HD1 PHE 34 HD1 PHE 34 2.504 3.196 7.723 263 HD2 PHE 34 HD2 PHE 34 5.730 2.094 5.175 264 HE1 PHE 34 HE1 PHE 34 3.927 2.818 9.694 265 HE2 PHE 34 HE2 PHE 34 7.159 1.713 7.141 266 HZ PHE 34 HZ PHE 34 6.257 2.074 9.405 267 H GLU 35 H GLU 35 1.573 2.074 2.330 268 HA GLU 35 HA GLU 35 -0.695 3.661 2.718 269 1HB GLU 35 1HB GLU 35 0.624 2.265 0.510 270 2HB GLU 35 2HB GLU 35 -1.116 2.395 0.309 271 1HG GLU 35 1HG GLU 35 -1.065 4.717 0.269 272 2HG GLU 35 2HG GLU 35 0.526 4.789 1.027 273 H SER 36 H SER 36 -0.494 0.222 1.831 274 HA SER 36 HA SER 36 -3.154 -0.169 3.047 275 1HB SER 36 1HB SER 36 -3.708 -1.684 1.147 276 2HB SER 36 2HB SER 36 -3.452 -0.015 0.640 277 HG SER 36 HG SER 36 -1.362 -1.909 0.600 278 H ASN 37 H ASN 37 -0.021 -1.070 3.275 279 HA ASN 37 HA ASN 37 1.066 -2.848 4.206 280 1HB ASN 37 1HB ASN 37 -1.746 -3.507 5.111 281 2HB ASN 37 2HB ASN 37 -0.328 -4.423 5.613 282 2HD2 ASN 37 2HD2 ASN 37 1.521 -2.791 6.306 283 1HD2 ASN 37 1HD2 ASN 37 1.017 -1.638 7.490 284 H PHE 38 H PHE 38 0.000 -2.890 1.512 285 HA PHE 38 HA PHE 38 -0.005 -4.165 -0.308 286 1HB PHE 38 1HB PHE 38 0.946 -6.394 1.503 287 2HB PHE 38 2HB PHE 38 1.030 -6.363 -0.253 288 HD1 PHE 38 HD1 PHE 38 2.100 -3.963 -1.082 289 HD2 PHE 38 HD2 PHE 38 2.980 -6.056 2.516 290 HE1 PHE 38 HE1 PHE 38 4.283 -2.839 -0.972 291 HE2 PHE 38 HE2 PHE 38 5.168 -4.937 2.633 292 HZ PHE 38 HZ PHE 38 5.825 -3.329 0.886 293 H ASN 39 H ASN 39 -2.321 -4.006 1.598 294 HA ASN 39 HA ASN 39 -3.704 -6.508 1.203 295 1HB ASN 39 1HB ASN 39 -4.119 -5.146 3.222 296 2HB ASN 39 2HB ASN 39 -4.745 -3.851 2.209 297 2HD2 ASN 39 2HD2 ASN 39 -6.604 -4.190 3.679 298 1HD2 ASN 39 1HD2 ASN 39 -7.791 -5.359 3.222 299 H THR 40 H THR 40 -4.467 -7.021 -0.694 300 HA THR 40 HA THR 40 -4.690 -5.261 -2.863 301 HB THR 40 HB THR 40 -5.214 -7.097 -4.123 302 HG1 THR 40 HG1 THR 40 -6.729 -8.610 -3.542 303 1HG2 THR 40 1HG2 THR 40 -3.550 -7.675 -1.955 304 2HG2 THR 40 2HG2 THR 40 -4.611 -9.073 -2.126 305 3HG2 THR 40 3HG2 THR 40 -3.639 -8.531 -3.494 306 H GLN 41 H GLN 41 -6.730 -5.884 -0.257 307 HA GLN 41 HA GLN 41 -9.039 -4.740 -1.658 308 1HB GLN 41 1HB GLN 41 -8.677 -6.897 0.318 309 2HB GLN 41 2HB GLN 41 -10.071 -5.878 0.548 310 1HG GLN 41 1HG GLN 41 -9.765 -6.719 -2.207 311 2HG GLN 41 2HG GLN 41 -9.898 -8.079 -1.092 312 2HE2 GLN 41 2HE2 GLN 41 -11.676 -6.490 -3.128 313 1HE2 GLN 41 1HE2 GLN 41 -13.194 -6.416 -2.306 314 H ALA 42 H ALA 42 -6.645 -3.776 0.338 315 HA ALA 42 HA ALA 42 -7.924 -2.591 2.522 316 1HB ALA 42 1HB ALA 42 -5.322 -2.220 1.164 317 2HB ALA 42 2HB ALA 42 -5.684 -2.614 2.845 318 3HB ALA 42 3HB ALA 42 -5.859 -0.955 2.271 319 H THR 43 H THR 43 -9.177 -0.908 2.760 320 HA THR 43 HA THR 43 -9.278 1.152 0.653 321 HB THR 43 HB THR 43 -11.579 1.261 0.728 322 HG1 THR 43 HG1 THR 43 -11.734 -0.145 3.186 323 1HG2 THR 43 1HG2 THR 43 -10.851 -1.589 1.363 324 2HG2 THR 43 2HG2 THR 43 -12.499 -1.105 0.962 325 3HG2 THR 43 3HG2 THR 43 -11.202 -0.872 -0.209 326 H ASN 44 H ASN 44 -9.008 3.240 1.380 327 HA ASN 44 HA ASN 44 -9.146 3.672 4.292 328 1HB ASN 44 1HB ASN 44 -6.798 3.578 3.431 329 2HB ASN 44 2HB ASN 44 -7.161 4.969 2.415 330 2HD2 ASN 44 2HD2 ASN 44 -7.664 4.024 5.803 331 1HD2 ASN 44 1HD2 ASN 44 -7.086 5.505 6.477 332 H ARG 45 H ARG 45 -10.923 4.856 4.600 333 HA ARG 45 HA ARG 45 -11.898 6.722 2.660 334 1HB ARG 45 1HB ARG 45 -13.545 7.282 4.525 335 2HB ARG 45 2HB ARG 45 -13.569 5.636 3.907 336 1HG ARG 45 1HG ARG 45 -12.151 4.956 5.831 337 2HG ARG 45 2HG ARG 45 -12.316 6.593 6.471 338 1HD ARG 45 1HD ARG 45 -14.555 4.643 5.939 339 2HD ARG 45 2HD ARG 45 -13.919 5.094 7.520 340 HE ARG 45 HE ARG 45 -14.668 7.467 6.496 341 1HH1 ARG 45 1HH1 ARG 45 -16.308 4.405 6.780 342 2HH1 ARG 45 2HH1 ARG 45 -17.882 5.115 6.914 343 1HH2 ARG 45 1HH2 ARG 45 -16.737 8.409 6.672 344 2HH2 ARG 45 2HH2 ARG 45 -18.126 7.391 6.853 345 H ASN 46 H ASN 46 -11.193 8.708 2.375 346 HA ASN 46 HA ASN 46 -9.646 10.045 4.449 347 1HB ASN 46 1HB ASN 46 -10.249 11.141 1.709 348 2HB ASN 46 2HB ASN 46 -8.889 11.515 2.763 349 2HD2 ASN 46 2HD2 ASN 46 -7.746 9.292 3.421 350 1HD2 ASN 46 1HD2 ASN 46 -7.272 8.346 2.053 351 H THR 47 H THR 47 -10.039 12.583 4.336 352 HA THR 47 HA THR 47 -12.873 12.941 5.027 353 HB THR 47 HB THR 47 -12.092 14.964 6.274 354 HG1 THR 47 HG1 THR 47 -9.565 13.947 5.458 355 1HG2 THR 47 1HG2 THR 47 -10.925 12.280 7.001 356 2HG2 THR 47 2HG2 THR 47 -10.950 13.663 8.094 357 3HG2 THR 47 3HG2 THR 47 -12.465 12.961 7.525 358 H ASP 48 H ASP 48 -10.468 13.935 2.777 359 HA ASP 48 HA ASP 48 -11.629 16.449 2.077 360 1HB ASP 48 1HB ASP 48 -10.070 16.482 0.251 361 2HB ASP 48 2HB ASP 48 -9.241 15.820 1.655 362 H GLY 49 H GLY 49 -12.689 13.347 1.625 363 1HA GLY 49 1HA GLY 49 -14.455 14.219 -0.566 364 2HA GLY 49 2HA GLY 49 -14.823 12.950 0.592 365 H SER 50 H SER 50 -12.437 11.510 0.448 366 HA SER 50 HA SER 50 -12.883 10.099 -2.040 367 1HB SER 50 1HB SER 50 -10.230 10.087 -2.287 368 2HB SER 50 2HB SER 50 -11.226 11.332 -3.039 369 HG SER 50 HG SER 50 -10.800 12.651 -1.211 370 H THR 51 H THR 51 -11.218 8.190 -2.140 371 HA THR 51 HA THR 51 -10.647 7.152 0.538 372 HB THR 51 HB THR 51 -11.951 5.281 -1.386 373 HG1 THR 51 HG1 THR 51 -13.996 5.920 -0.641 374 1HG2 THR 51 1HG2 THR 51 -10.907 4.795 0.971 375 2HG2 THR 51 2HG2 THR 51 -12.448 5.420 1.556 376 3HG2 THR 51 3HG2 THR 51 -12.414 4.018 0.487 377 H ASP 52 H ASP 52 -9.518 4.928 0.309 378 HA ASP 52 HA ASP 52 -7.696 4.992 -2.008 379 1HB ASP 52 1HB ASP 52 -6.997 4.312 0.856 380 2HB ASP 52 2HB ASP 52 -5.893 4.239 -0.513 381 H TYR 53 H TYR 53 -9.038 3.467 -3.042 382 HA TYR 53 HA TYR 53 -9.213 0.837 -1.783 383 1HB TYR 53 1HB TYR 53 -10.365 1.723 -4.433 384 2HB TYR 53 2HB TYR 53 -10.726 0.237 -3.567 385 HD1 TYR 53 HD1 TYR 53 -11.765 0.546 -1.184 386 HD2 TYR 53 HD2 TYR 53 -11.787 3.530 -4.212 387 HE1 TYR 53 HE1 TYR 53 -13.686 1.629 -0.094 388 HE2 TYR 53 HE2 TYR 53 -13.704 4.624 -3.130 389 HH TYR 53 HH TYR 53 -14.571 4.493 -0.352 390 H GLY 54 H GLY 54 -6.863 0.387 -1.987 391 1HA GLY 54 1HA GLY 54 -5.704 0.312 -4.594 392 2HA GLY 54 2HA GLY 54 -6.244 -1.281 -4.086 393 H ILE 55 H ILE 55 -3.905 -1.786 -4.292 394 HA ILE 55 HA ILE 55 -2.664 -1.764 -1.726 395 HB ILE 55 HB ILE 55 -2.294 -3.571 -3.436 396 1HG1 ILE 55 1HG1 ILE 55 0.323 -2.274 -2.681 397 2HG1 ILE 55 2HG1 ILE 55 -0.731 -3.011 -1.479 398 1HG2 ILE 55 1HG2 ILE 55 -1.152 -1.278 -4.901 399 2HG2 ILE 55 2HG2 ILE 55 -0.261 -2.797 -5.003 400 3HG2 ILE 55 3HG2 ILE 55 -1.951 -2.731 -5.502 401 1HD1 ILE 55 1HD1 ILE 55 -0.611 -5.081 -3.045 402 2HD1 ILE 55 2HD1 ILE 55 0.841 -4.291 -3.658 403 3HD1 ILE 55 3HD1 ILE 55 0.724 -4.718 -1.951 404 H LEU 56 H LEU 56 -2.556 0.176 -4.586 405 HA LEU 56 HA LEU 56 -0.436 1.857 -3.447 406 1HB LEU 56 1HB LEU 56 -1.017 1.037 -6.138 407 2HB LEU 56 2HB LEU 56 -1.190 2.777 -6.036 408 HG LEU 56 HG LEU 56 1.044 2.605 -6.644 409 1HD1 LEU 56 1HD1 LEU 56 0.844 3.835 -4.500 410 2HD1 LEU 56 2HD1 LEU 56 1.250 2.348 -3.643 411 3HD1 LEU 56 3HD1 LEU 56 2.422 3.083 -4.737 412 1HD2 LEU 56 1HD2 LEU 56 0.755 -0.028 -6.096 413 2HD2 LEU 56 2HD2 LEU 56 2.294 0.740 -6.482 414 3HD2 LEU 56 3HD2 LEU 56 1.851 0.450 -4.800 415 H GLN 57 H GLN 57 -3.552 1.536 -3.060 416 HA GLN 57 HA GLN 57 -5.213 2.862 -2.333 417 1HB GLN 57 1HB GLN 57 -3.139 5.045 -2.556 418 2HB GLN 57 2HB GLN 57 -4.723 5.244 -1.818 419 1HG GLN 57 1HG GLN 57 -3.966 3.216 -0.355 420 2HG GLN 57 2HG GLN 57 -2.352 3.731 -0.843 421 2HE2 GLN 57 2HE2 GLN 57 -2.522 6.413 -0.862 422 1HE2 GLN 57 1HE2 GLN 57 -2.880 7.016 0.717 423 H ILE 58 H ILE 58 -6.230 2.315 -4.470 424 HA ILE 58 HA ILE 58 -6.080 4.408 -6.460 425 HB ILE 58 HB ILE 58 -8.055 2.170 -6.604 426 1HG1 ILE 58 1HG1 ILE 58 -5.964 1.096 -5.898 427 2HG1 ILE 58 2HG1 ILE 58 -6.336 0.702 -7.573 428 1HG2 ILE 58 1HG2 ILE 58 -6.794 4.098 -8.404 429 2HG2 ILE 58 2HG2 ILE 58 -6.859 2.455 -9.040 430 3HG2 ILE 58 3HG2 ILE 58 -8.343 3.265 -8.535 431 1HD1 ILE 58 1HD1 ILE 58 -4.425 2.880 -6.780 432 2HD1 ILE 58 2HD1 ILE 58 -3.936 1.213 -7.083 433 3HD1 ILE 58 3HD1 ILE 58 -4.660 2.168 -8.376 434 H ASN 59 H ASN 59 -7.017 6.215 -5.638 435 HA ASN 59 HA ASN 59 -9.403 6.276 -4.152 436 1HB ASN 59 1HB ASN 59 -7.874 8.175 -4.169 437 2HB ASN 59 2HB ASN 59 -8.115 8.390 -5.901 438 2HD2 ASN 59 2HD2 ASN 59 -8.699 10.568 -5.339 439 1HD2 ASN 59 1HD2 ASN 59 -10.304 10.915 -4.802 440 H SER 60 H SER 60 -11.175 5.255 -4.996 441 HA SER 60 HA SER 60 -11.764 5.044 -7.714 442 1HB SER 60 1HB SER 60 -13.768 4.035 -7.062 443 2HB SER 60 2HB SER 60 -12.702 3.732 -5.689 444 HG SER 60 HG SER 60 -15.032 5.002 -5.709 445 H ARG 61 H ARG 61 -12.111 7.773 -5.666 446 HA ARG 61 HA ARG 61 -14.337 8.931 -7.084 447 1HB ARG 61 1HB ARG 61 -13.867 9.429 -4.696 448 2HB ARG 61 2HB ARG 61 -12.384 10.239 -5.182 449 1HG ARG 61 1HG ARG 61 -13.829 12.007 -4.936 450 2HG ARG 61 2HG ARG 61 -13.967 11.673 -6.664 451 1HD ARG 61 1HD ARG 61 -15.916 10.108 -5.908 452 2HD ARG 61 2HD ARG 61 -15.901 11.111 -4.457 453 HE ARG 61 HE ARG 61 -16.698 11.914 -7.133 454 1HH1 ARG 61 1HH1 ARG 61 -15.930 12.875 -3.874 455 2HH1 ARG 61 2HH1 ARG 61 -16.737 14.401 -3.996 456 1HH2 ARG 61 1HH2 ARG 61 -17.764 13.922 -7.304 457 2HH2 ARG 61 2HH2 ARG 61 -17.781 14.997 -5.946 458 H TRP 62 H TRP 62 -10.887 9.701 -6.809 459 HA TRP 62 HA TRP 62 -10.991 11.576 -8.993 460 1HB TRP 62 1HB TRP 62 -9.306 11.289 -6.883 461 2HB TRP 62 2HB TRP 62 -8.353 10.534 -8.156 462 HD1 TRP 62 HD1 TRP 62 -6.879 12.148 -9.478 463 HE1 TRP 62 HE1 TRP 62 -6.844 14.685 -9.912 464 HE3 TRP 62 HE3 TRP 62 -11.197 13.443 -7.067 465 HZ2 TRP 62 HZ2 TRP 62 -8.436 16.937 -9.309 466 HZ3 TRP 62 HZ3 TRP 62 -11.869 15.809 -7.041 467 HH2 TRP 62 HH2 TRP 62 -10.517 17.520 -8.140 468 H TRP 63 H TRP 63 -9.862 8.279 -8.510 469 HA TRP 63 HA TRP 63 -9.387 8.051 -11.406 470 1HB TRP 63 1HB TRP 63 -8.355 6.137 -9.314 471 2HB TRP 63 2HB TRP 63 -7.808 6.335 -10.976 472 HD1 TRP 63 HD1 TRP 63 -6.708 7.153 -7.616 473 HE1 TRP 63 HE1 TRP 63 -5.007 9.092 -7.641 474 HE3 TRP 63 HE3 TRP 63 -7.522 8.859 -12.342 475 HZ2 TRP 63 HZ2 TRP 63 -4.137 11.095 -9.450 476 HZ3 TRP 63 HZ3 TRP 63 -6.253 10.781 -13.152 477 HH2 TRP 63 HH2 TRP 63 -4.578 11.884 -11.739 478 H CYS 64 H CYS 64 -9.906 5.977 -12.372 479 HA CYS 64 HA CYS 64 -11.441 4.458 -13.021 480 1HB CYS 64 1HB CYS 64 -11.649 2.626 -11.613 481 2HB CYS 64 2HB CYS 64 -10.212 3.417 -10.978 482 H ASN 65 H ASN 65 -13.589 3.783 -13.131 483 HA ASN 65 HA ASN 65 -15.460 5.718 -11.937 484 1HB ASN 65 1HB ASN 65 -15.399 5.573 -14.421 485 2HB ASN 65 2HB ASN 65 -15.877 3.882 -14.309 486 2HD2 ASN 65 2HD2 ASN 65 -17.918 3.631 -14.814 487 1HD2 ASN 65 1HD2 ASN 65 -19.215 4.690 -14.390 488 H ASP 66 H ASP 66 -16.520 5.005 -10.203 489 HA ASP 66 HA ASP 66 -16.838 2.137 -9.791 490 1HB ASP 66 1HB ASP 66 -17.349 2.657 -7.512 491 2HB ASP 66 2HB ASP 66 -15.963 3.637 -7.981 492 H GLY 67 H GLY 67 -18.742 4.943 -10.583 493 1HA GLY 67 1HA GLY 67 -20.979 3.327 -11.289 494 2HA GLY 67 2HA GLY 67 -20.917 5.082 -11.313 495 H ARG 68 H ARG 68 -20.031 3.854 -8.296 496 HA ARG 68 HA ARG 68 -22.779 3.925 -7.282 497 1HB ARG 68 1HB ARG 68 -20.523 2.330 -6.675 498 2HB ARG 68 2HB ARG 68 -20.849 3.309 -5.252 499 1HG ARG 68 1HG ARG 68 -23.346 2.401 -6.038 500 2HG ARG 68 2HG ARG 68 -22.274 1.021 -6.290 501 1HD ARG 68 1HD ARG 68 -22.280 0.622 -4.108 502 2HD ARG 68 2HD ARG 68 -21.579 2.213 -3.817 503 HE ARG 68 HE ARG 68 -24.486 1.746 -3.985 504 1HH1 ARG 68 1HH1 ARG 68 -21.699 3.231 -2.512 505 2HH1 ARG 68 2HH1 ARG 68 -22.627 4.130 -1.359 506 1HH2 ARG 68 1HH2 ARG 68 -25.716 2.927 -2.471 507 2HH2 ARG 68 2HH2 ARG 68 -24.910 3.958 -1.335 508 H THR 69 H THR 69 -20.333 6.041 -7.771 509 HA THR 69 HA THR 69 -21.281 7.776 -5.606 510 HB THR 69 HB THR 69 -18.352 7.562 -6.312 511 HG1 THR 69 HG1 THR 69 -19.091 6.749 -3.802 512 1HG2 THR 69 1HG2 THR 69 -19.436 9.702 -5.308 513 2HG2 THR 69 2HG2 THR 69 -19.503 8.759 -3.819 514 3HG2 THR 69 3HG2 THR 69 -17.951 9.073 -4.594 515 HA PRO 70 HA PRO 70 -21.781 10.155 -9.456 516 1HB PRO 70 1HB PRO 70 -22.858 12.061 -7.441 517 2HB PRO 70 2HB PRO 70 -23.561 11.524 -8.971 518 1HG PRO 70 1HG PRO 70 -24.502 10.616 -6.652 519 2HG PRO 70 2HG PRO 70 -24.364 9.548 -8.061 520 1HD PRO 70 1HD PRO 70 -22.625 9.725 -5.638 521 2HD PRO 70 2HD PRO 70 -23.127 8.296 -6.565 522 H GLY 71 H GLY 71 -19.744 10.792 -10.008 523 1HA GLY 71 1HA GLY 71 -18.348 12.715 -8.293 524 2HA GLY 71 2HA GLY 71 -18.744 13.212 -9.931 525 H SER 72 H SER 72 -18.173 9.933 -9.912 526 HA SER 72 HA SER 72 -15.403 9.690 -9.799 527 1HB SER 72 1HB SER 72 -16.024 7.809 -11.647 528 2HB SER 72 2HB SER 72 -16.302 7.602 -9.918 529 HG SER 72 HG SER 72 -18.264 7.228 -10.662 530 H ARG 73 H ARG 73 -13.993 10.879 -10.895 531 HA ARG 73 HA ARG 73 -14.533 12.196 -13.327 532 1HB ARG 73 1HB ARG 73 -11.842 11.513 -12.130 533 2HB ARG 73 2HB ARG 73 -12.150 12.733 -13.359 534 1HG ARG 73 1HG ARG 73 -13.803 13.647 -11.499 535 2HG ARG 73 2HG ARG 73 -12.672 12.797 -10.444 536 1HD ARG 73 1HD ARG 73 -11.813 14.967 -10.590 537 2HD ARG 73 2HD ARG 73 -10.834 14.031 -11.717 538 HE ARG 73 HE ARG 73 -11.695 15.264 -13.448 539 1HH1 ARG 73 1HH1 ARG 73 -13.609 15.802 -10.585 540 2HH1 ARG 73 2HH1 ARG 73 -14.523 17.097 -11.283 541 1HH2 ARG 73 1HH2 ARG 73 -12.892 16.969 -14.374 542 2HH2 ARG 73 2HH2 ARG 73 -14.116 17.760 -13.437 543 H ASN 74 H ASN 74 -12.993 9.123 -12.583 544 HA ASN 74 HA ASN 74 -12.460 7.313 -13.871 545 1HB ASN 74 1HB ASN 74 -14.796 7.879 -14.832 546 2HB ASN 74 2HB ASN 74 -13.920 8.588 -16.186 547 2HD2 ASN 74 2HD2 ASN 74 -13.047 5.738 -14.311 548 1HD2 ASN 74 1HD2 ASN 74 -13.172 4.616 -15.619 549 H LEU 75 H LEU 75 -10.761 9.547 -13.672 550 HA LEU 75 HA LEU 75 -9.593 10.448 -16.033 551 1HB LEU 75 1HB LEU 75 -8.882 10.131 -13.192 552 2HB LEU 75 2HB LEU 75 -7.538 10.330 -14.294 553 HG LEU 75 HG LEU 75 -9.902 12.217 -14.115 554 1HD1 LEU 75 1HD1 LEU 75 -8.247 11.932 -12.070 555 2HD1 LEU 75 2HD1 LEU 75 -7.240 12.992 -13.055 556 3HD1 LEU 75 3HD1 LEU 75 -8.854 13.511 -12.569 557 1HD2 LEU 75 1HD2 LEU 75 -7.407 12.136 -15.716 558 2HD2 LEU 75 2HD2 LEU 75 -9.009 12.743 -16.137 559 3HD2 LEU 75 3HD2 LEU 75 -7.938 13.710 -15.123 560 H CYS 76 H CYS 76 -9.040 7.694 -14.036 561 HA CYS 76 HA CYS 76 -6.850 6.650 -15.571 562 1HB CYS 76 1HB CYS 76 -7.228 6.563 -13.078 563 2HB CYS 76 2HB CYS 76 -8.483 5.378 -13.395 564 H ASN 77 H ASN 77 -10.130 6.767 -15.848 565 HA ASN 77 HA ASN 77 -11.792 5.431 -16.815 566 1HB ASN 77 1HB ASN 77 -10.163 6.476 -18.679 567 2HB ASN 77 2HB ASN 77 -9.856 4.771 -18.990 568 2HD2 ASN 77 2HD2 ASN 77 -12.121 3.515 -18.802 569 1HD2 ASN 77 1HD2 ASN 77 -13.329 4.158 -19.855 570 H ILE 78 H ILE 78 -10.652 4.099 -14.887 571 HA ILE 78 HA ILE 78 -10.078 1.460 -15.926 572 HB ILE 78 HB ILE 78 -8.516 3.116 -14.442 573 1HG1 ILE 78 1HG1 ILE 78 -7.631 0.464 -14.197 574 2HG1 ILE 78 2HG1 ILE 78 -8.481 0.634 -15.729 575 1HG2 ILE 78 1HG2 ILE 78 -10.063 2.173 -12.523 576 2HG2 ILE 78 2HG2 ILE 78 -8.940 0.819 -12.633 577 3HG2 ILE 78 3HG2 ILE 78 -8.337 2.439 -12.282 578 1HD1 ILE 78 1HD1 ILE 78 -6.943 2.857 -15.741 579 2HD1 ILE 78 2HD1 ILE 78 -5.901 1.724 -14.881 580 3HD1 ILE 78 3HD1 ILE 78 -6.496 1.325 -16.492 581 HA PRO 79 HA PRO 79 -13.311 -0.096 -13.292 582 1HB PRO 79 1HB PRO 79 -12.654 -2.700 -13.237 583 2HB PRO 79 2HB PRO 79 -13.214 -1.920 -14.720 584 1HG PRO 79 1HG PRO 79 -10.474 -2.740 -13.932 585 2HG PRO 79 2HG PRO 79 -11.207 -2.663 -15.541 586 1HD PRO 79 1HD PRO 79 -9.484 -0.755 -14.374 587 2HD PRO 79 2HD PRO 79 -10.425 -0.561 -15.864 588 H CYS 80 H CYS 80 -13.282 0.493 -11.203 589 HA CYS 80 HA CYS 80 -11.131 0.403 -9.469 590 1HB CYS 80 1HB CYS 80 -13.960 0.211 -8.490 591 2HB CYS 80 2HB CYS 80 -12.608 1.106 -7.799 592 H SER 81 H SER 81 -13.901 -1.862 -9.490 593 HA SER 81 HA SER 81 -12.967 -3.516 -7.446 594 1HB SER 81 1HB SER 81 -14.622 -5.089 -8.138 595 2HB SER 81 2HB SER 81 -15.283 -3.488 -8.466 596 HG SER 81 HG SER 81 -14.612 -5.506 -10.202 597 H ALA 82 H ALA 82 -11.890 -3.303 -10.725 598 HA ALA 82 HA ALA 82 -10.776 -5.961 -10.806 599 1HB ALA 82 1HB ALA 82 -11.323 -3.933 -12.688 600 2HB ALA 82 2HB ALA 82 -10.754 -5.577 -12.985 601 3HB ALA 82 3HB ALA 82 -9.593 -4.267 -12.767 602 H LEU 83 H LEU 83 -9.800 -2.969 -9.539 603 HA LEU 83 HA LEU 83 -6.952 -3.626 -9.647 604 1HB LEU 83 1HB LEU 83 -7.824 -1.273 -8.098 605 2HB LEU 83 2HB LEU 83 -6.503 -1.442 -9.238 606 HG LEU 83 HG LEU 83 -9.254 -1.460 -10.352 607 1HD1 LEU 83 1HD1 LEU 83 -8.948 0.401 -8.535 608 2HD1 LEU 83 2HD1 LEU 83 -7.996 1.182 -9.798 609 3HD1 LEU 83 3HD1 LEU 83 -9.687 0.776 -10.092 610 1HD2 LEU 83 1HD2 LEU 83 -6.665 -1.356 -11.347 611 2HD2 LEU 83 2HD2 LEU 83 -8.155 -1.075 -12.247 612 3HD2 LEU 83 3HD2 LEU 83 -7.280 0.285 -11.542 613 H LEU 84 H LEU 84 -9.523 -4.371 -7.744 614 HA LEU 84 HA LEU 84 -8.001 -4.341 -5.246 615 1HB LEU 84 1HB LEU 84 -10.877 -5.143 -5.534 616 2HB LEU 84 2HB LEU 84 -10.049 -4.543 -4.111 617 HG LEU 84 HG LEU 84 -11.034 -3.003 -6.490 618 1HD1 LEU 84 1HD1 LEU 84 -12.131 -3.493 -4.058 619 2HD1 LEU 84 2HD1 LEU 84 -11.301 -1.964 -3.767 620 3HD1 LEU 84 3HD1 LEU 84 -12.491 -2.089 -5.062 621 1HD2 LEU 84 1HD2 LEU 84 -8.725 -2.371 -4.731 622 2HD2 LEU 84 2HD2 LEU 84 -9.014 -1.949 -6.420 623 3HD2 LEU 84 3HD2 LEU 84 -9.835 -1.060 -5.136 624 H SER 85 H SER 85 -8.607 -6.418 -7.775 625 HA SER 85 HA SER 85 -9.075 -8.876 -6.485 626 1HB SER 85 1HB SER 85 -8.470 -9.906 -8.550 627 2HB SER 85 2HB SER 85 -9.268 -8.390 -8.966 628 HG SER 85 HG SER 85 -7.271 -7.479 -9.380 629 H SER 86 H SER 86 -7.261 -10.668 -7.013 630 HA SER 86 HA SER 86 -5.130 -10.067 -5.157 631 1HB SER 86 1HB SER 86 -4.707 -12.611 -6.326 632 2HB SER 86 2HB SER 86 -5.369 -12.256 -4.730 633 HG SER 86 HG SER 86 -6.740 -12.713 -7.154 634 H ASP 87 H ASP 87 -5.193 -8.687 -7.702 635 HA ASP 87 HA ASP 87 -2.515 -9.400 -8.655 636 1HB ASP 87 1HB ASP 87 -4.124 -10.320 -10.254 637 2HB ASP 87 2HB ASP 87 -4.894 -8.746 -10.401 638 H ILE 88 H ILE 88 -1.181 -7.685 -8.621 639 HA ILE 88 HA ILE 88 -2.237 -5.089 -7.974 640 HB ILE 88 HB ILE 88 0.340 -4.533 -8.338 641 1HG1 ILE 88 1HG1 ILE 88 0.624 -7.347 -7.384 642 2HG1 ILE 88 2HG1 ILE 88 0.512 -7.061 -9.119 643 1HG2 ILE 88 1HG2 ILE 88 -1.308 -5.354 -6.133 644 2HG2 ILE 88 2HG2 ILE 88 0.369 -5.835 -5.874 645 3HG2 ILE 88 3HG2 ILE 88 -0.025 -4.146 -6.189 646 1HD1 ILE 88 1HD1 ILE 88 2.370 -5.211 -8.314 647 2HD1 ILE 88 2HD1 ILE 88 2.717 -6.602 -7.287 648 3HD1 ILE 88 3HD1 ILE 88 2.714 -6.781 -9.041 649 H THR 89 H THR 89 -1.759 -6.699 -10.868 650 HA THR 89 HA THR 89 -0.585 -4.885 -12.567 651 HB THR 89 HB THR 89 -2.991 -6.600 -13.210 652 HG1 THR 89 HG1 THR 89 -1.497 -8.177 -13.705 653 1HG2 THR 89 1HG2 THR 89 -1.093 -5.003 -14.861 654 2HG2 THR 89 2HG2 THR 89 -1.667 -6.545 -15.496 655 3HG2 THR 89 3HG2 THR 89 -2.821 -5.278 -15.078 656 H ALA 90 H ALA 90 -4.051 -5.055 -11.727 657 HA ALA 90 HA ALA 90 -4.777 -2.829 -13.223 658 1HB ALA 90 1HB ALA 90 -6.310 -4.619 -12.491 659 2HB ALA 90 2HB ALA 90 -6.911 -2.995 -12.160 660 3HB ALA 90 3HB ALA 90 -6.227 -3.966 -10.856 661 H SER 91 H SER 91 -4.260 -3.154 -9.698 662 HA SER 91 HA SER 91 -4.761 -0.457 -9.070 663 1HB SER 91 1HB SER 91 -2.800 -1.579 -7.287 664 2HB SER 91 2HB SER 91 -4.499 -1.220 -6.979 665 HG SER 91 HG SER 91 -3.476 -3.580 -8.185 666 H VAL 92 H VAL 92 -1.927 -2.071 -10.237 667 HA VAL 92 HA VAL 92 -0.223 0.179 -9.666 668 HB VAL 92 HB VAL 92 0.317 -2.337 -11.236 669 1HG1 VAL 92 1HG1 VAL 92 2.176 0.001 -10.750 670 2HG1 VAL 92 2HG1 VAL 92 2.650 -1.554 -11.437 671 3HG1 VAL 92 3HG1 VAL 92 1.527 -0.510 -12.308 672 1HG2 VAL 92 1HG2 VAL 92 0.251 -2.076 -8.597 673 2HG2 VAL 92 2HG2 VAL 92 1.450 -3.090 -9.400 674 3HG2 VAL 92 3HG2 VAL 92 1.885 -1.466 -8.865 675 H ASN 93 H ASN 93 -1.630 -1.220 -12.632 676 HA ASN 93 HA ASN 93 -0.537 0.447 -14.442 677 1HB ASN 93 1HB ASN 93 -1.864 -0.703 -15.782 678 2HB ASN 93 2HB ASN 93 -2.595 -1.400 -14.362 679 2HD2 ASN 93 2HD2 ASN 93 -2.823 1.209 -16.681 680 1HD2 ASN 93 1HD2 ASN 93 -4.510 1.511 -16.462 681 H CYS 94 H CYS 94 -3.346 0.977 -12.415 682 HA CYS 94 HA CYS 94 -4.054 3.510 -13.417 683 1HB CYS 94 1HB CYS 94 -5.271 1.851 -11.740 684 2HB CYS 94 2HB CYS 94 -4.480 2.861 -10.535 685 H ALA 95 H ALA 95 -2.051 2.544 -10.613 686 HA ALA 95 HA ALA 95 -1.350 5.218 -9.930 687 1HB ALA 95 1HB ALA 95 -1.087 3.632 -8.231 688 2HB ALA 95 2HB ALA 95 -0.085 2.591 -9.245 689 3HB ALA 95 3HB ALA 95 0.542 4.140 -8.676 690 H LYS 96 H LYS 96 -0.070 2.896 -12.187 691 HA LYS 96 HA LYS 96 2.451 3.906 -12.682 692 1HB LYS 96 1HB LYS 96 0.402 2.539 -14.398 693 2HB LYS 96 2HB LYS 96 1.850 3.195 -15.151 694 1HG LYS 96 1HG LYS 96 3.258 1.783 -13.846 695 2HG LYS 96 2HG LYS 96 1.898 1.254 -12.853 696 1HD LYS 96 1HD LYS 96 1.355 -0.338 -14.315 697 2HD LYS 96 2HD LYS 96 1.381 0.805 -15.660 698 1HE LYS 96 1HE LYS 96 4.049 0.173 -14.715 699 2HE LYS 96 2HE LYS 96 3.167 -1.271 -15.208 700 1HZ LYS 96 1HZ LYS 96 3.088 1.063 -16.974 701 2HZ LYS 96 2HZ LYS 96 4.515 0.155 -16.924 702 3HZ LYS 96 3HZ LYS 96 3.058 -0.584 -17.360 703 H LYS 97 H LYS 97 -0.717 4.848 -13.640 704 HA LYS 97 HA LYS 97 0.081 7.075 -15.305 705 1HB LYS 97 1HB LYS 97 -2.540 5.982 -14.344 706 2HB LYS 97 2HB LYS 97 -2.474 7.613 -14.998 707 1HG LYS 97 1HG LYS 97 -1.105 6.119 -16.867 708 2HG LYS 97 2HG LYS 97 -2.418 5.054 -16.362 709 1HD LYS 97 1HD LYS 97 -4.061 6.530 -17.072 710 2HD LYS 97 2HD LYS 97 -2.973 7.919 -17.021 711 1HE LYS 97 1HE LYS 97 -1.733 6.393 -18.870 712 2HE LYS 97 2HE LYS 97 -3.410 5.926 -19.147 713 1HZ LYS 97 1HZ LYS 97 -3.782 8.484 -19.110 714 2HZ LYS 97 2HZ LYS 97 -2.134 8.550 -19.483 715 3HZ LYS 97 3HZ LYS 97 -3.203 7.735 -20.512 716 H ILE 98 H ILE 98 -0.827 6.489 -11.993 717 HA ILE 98 HA ILE 98 -1.335 9.127 -11.192 718 HB ILE 98 HB ILE 98 -0.351 6.755 -9.633 719 1HG1 ILE 98 1HG1 ILE 98 -3.010 8.204 -9.653 720 2HG1 ILE 98 2HG1 ILE 98 -2.676 6.709 -10.519 721 1HG2 ILE 98 1HG2 ILE 98 -0.417 9.564 -8.873 722 2HG2 ILE 98 2HG2 ILE 98 -1.365 8.540 -7.794 723 3HG2 ILE 98 3HG2 ILE 98 0.343 8.190 -8.068 724 1HD1 ILE 98 1HD1 ILE 98 -2.072 6.636 -7.651 725 2HD1 ILE 98 2HD1 ILE 98 -3.775 6.845 -8.059 726 3HD1 ILE 98 3HD1 ILE 98 -2.884 5.454 -8.677 727 H VAL 99 H VAL 99 1.590 7.173 -10.999 728 HA VAL 99 HA VAL 99 3.272 9.241 -10.041 729 HB VAL 99 HB VAL 99 3.737 6.824 -9.732 730 1HG1 VAL 99 1HG1 VAL 99 3.089 6.316 -12.168 731 2HG1 VAL 99 2HG1 VAL 99 4.753 6.761 -12.550 732 3HG1 VAL 99 3HG1 VAL 99 4.429 5.418 -11.453 733 1HG2 VAL 99 1HG2 VAL 99 5.646 8.838 -10.647 734 2HG2 VAL 99 2HG2 VAL 99 5.701 7.780 -9.237 735 3HG2 VAL 99 3HG2 VAL 99 6.229 7.182 -10.809 736 H SER 100 H SER 100 2.199 8.300 -13.211 737 HA SER 100 HA SER 100 4.341 9.727 -14.554 738 1HB SER 100 1HB SER 100 3.209 7.614 -15.448 739 2HB SER 100 2HB SER 100 1.827 8.642 -15.827 740 HG SER 100 HG SER 100 2.875 9.410 -17.479 741 H ASP 101 H ASP 101 1.418 10.480 -13.088 742 HA ASP 101 HA ASP 101 0.645 12.624 -14.849 743 1HB ASP 101 1HB ASP 101 -0.471 11.264 -12.534 744 2HB ASP 101 2HB ASP 101 -0.668 13.010 -12.425 745 H GLY 102 H GLY 102 3.084 12.297 -12.601 746 1HA GLY 102 1HA GLY 102 3.003 15.178 -11.957 747 2HA GLY 102 2HA GLY 102 4.465 14.400 -12.540 748 H ASN 103 H ASN 103 2.110 13.248 -10.142 749 HA ASN 103 HA ASN 103 4.065 13.650 -8.015 750 1HB ASN 103 1HB ASN 103 1.138 13.266 -8.155 751 2HB ASN 103 2HB ASN 103 1.935 12.546 -6.759 752 2HD2 ASN 103 2HD2 ASN 103 1.151 13.922 -5.244 753 1HD2 ASN 103 1HD2 ASN 103 1.549 15.602 -5.174 754 H GLY 104 H GLY 104 5.512 12.100 -7.683 755 1HA GLY 104 1HA GLY 104 6.495 10.005 -7.738 756 2HA GLY 104 2HA GLY 104 5.050 9.383 -8.517 757 H MET 105 H MET 105 6.888 9.048 -5.850 758 HA MET 105 HA MET 105 4.841 7.636 -4.411 759 1HB MET 105 1HB MET 105 7.508 8.171 -3.196 760 2HB MET 105 2HB MET 105 6.558 6.692 -3.205 761 1HG MET 105 1HG MET 105 8.178 7.801 -5.482 762 2HG MET 105 2HG MET 105 8.567 6.395 -4.492 763 1HE MET 105 1HE MET 105 6.425 4.947 -3.940 764 2HE MET 105 2HE MET 105 4.929 5.311 -4.801 765 3HE MET 105 3HE MET 105 5.888 3.902 -5.257 766 H ASN 106 H ASN 106 5.326 10.765 -4.720 767 HA ASN 106 HA ASN 106 5.292 11.524 -1.921 768 1HB ASN 106 1HB ASN 106 4.915 13.495 -4.125 769 2HB ASN 106 2HB ASN 106 5.847 13.626 -2.643 770 2HD2 ASN 106 2HD2 ASN 106 5.943 12.985 -5.950 771 1HD2 ASN 106 1HD2 ASN 106 7.603 12.518 -6.058 772 H ALA 107 H ALA 107 3.153 11.155 -4.641 773 HA ALA 107 HA ALA 107 1.008 12.755 -3.927 774 1HB ALA 107 1HB ALA 107 1.456 10.461 -5.648 775 2HB ALA 107 2HB ALA 107 -0.165 10.466 -4.952 776 3HB ALA 107 3HB ALA 107 0.402 11.855 -5.878 777 H TRP 108 H TRP 108 1.718 9.425 -2.961 778 HA TRP 108 HA TRP 108 -0.549 9.296 -1.203 779 1HB TRP 108 1HB TRP 108 1.778 7.390 -1.520 780 2HB TRP 108 2HB TRP 108 0.270 7.054 -0.670 781 HD1 TRP 108 HD1 TRP 108 -1.978 6.863 -2.216 782 HE1 TRP 108 HE1 TRP 108 -2.256 6.140 -4.671 783 HE3 TRP 108 HE3 TRP 108 2.858 7.406 -3.779 784 HZ2 TRP 108 HZ2 TRP 108 -0.638 5.829 -6.975 785 HZ3 TRP 108 HZ3 TRP 108 3.410 6.876 -6.114 786 HH2 TRP 108 HH2 TRP 108 1.700 6.104 -7.676 787 H VAL 109 H VAL 109 -0.609 9.533 0.936 788 HA VAL 109 HA VAL 109 1.472 11.014 2.208 789 HB VAL 109 HB VAL 109 -0.753 9.921 3.730 790 1HG1 VAL 109 1HG1 VAL 109 1.035 11.517 4.589 791 2HG1 VAL 109 2HG1 VAL 109 0.213 12.750 3.634 792 3HG1 VAL 109 3HG1 VAL 109 -0.644 11.927 4.937 793 1HG2 VAL 109 1HG2 VAL 109 -1.774 10.499 1.578 794 2HG2 VAL 109 2HG2 VAL 109 -2.325 11.565 2.870 795 3HG2 VAL 109 3HG2 VAL 109 -1.112 12.127 1.720 796 H ALA 110 H ALA 110 0.788 7.665 2.072 797 HA ALA 110 HA ALA 110 1.823 7.021 4.664 798 1HB ALA 110 1HB ALA 110 1.313 5.318 2.227 799 2HB ALA 110 2HB ALA 110 1.867 4.683 3.776 800 3HB ALA 110 3HB ALA 110 0.295 5.474 3.659 801 H TRP 111 H TRP 111 3.126 7.403 1.463 802 HA TRP 111 HA TRP 111 5.703 6.322 2.198 803 1HB TRP 111 1HB TRP 111 4.891 6.142 -0.132 804 2HB TRP 111 2HB TRP 111 4.927 7.891 -0.272 805 HD1 TRP 111 HD1 TRP 111 7.139 4.843 -0.454 806 HE1 TRP 111 HE1 TRP 111 9.516 5.546 -1.142 807 HE3 TRP 111 HE3 TRP 111 6.649 9.916 -0.016 808 HZ2 TRP 111 HZ2 TRP 111 10.990 7.931 -1.457 809 HZ3 TRP 111 HZ3 TRP 111 8.593 11.335 -0.530 810 HH2 TRP 111 HH2 TRP 111 10.717 10.361 -1.234 811 H ARG 112 H ARG 112 4.128 9.465 1.968 812 HA ARG 112 HA ARG 112 6.613 10.841 2.622 813 1HB ARG 112 1HB ARG 112 3.877 11.666 1.775 814 2HB ARG 112 2HB ARG 112 4.894 12.818 2.627 815 1HG ARG 112 1HG ARG 112 6.651 12.073 0.799 816 2HG ARG 112 2HG ARG 112 5.183 11.676 -0.097 817 1HD ARG 112 1HD ARG 112 5.601 13.873 -0.723 818 2HD ARG 112 2HD ARG 112 4.409 14.046 0.566 819 HE ARG 112 HE ARG 112 7.247 14.265 1.244 820 1HH1 ARG 112 1HH1 ARG 112 4.138 15.776 0.808 821 2HH1 ARG 112 2HH1 ARG 112 4.582 17.226 1.646 822 1HH2 ARG 112 1HH2 ARG 112 7.840 16.170 2.348 823 2HH2 ARG 112 2HH2 ARG 112 6.685 17.450 2.521 824 H ASN 113 H ASN 113 5.947 9.131 4.599 825 HA ASN 113 HA ASN 113 5.447 10.941 6.799 826 1HB ASN 113 1HB ASN 113 3.402 9.134 5.853 827 2HB ASN 113 2HB ASN 113 3.877 8.718 7.497 828 2HD2 ASN 113 2HD2 ASN 113 3.379 10.076 9.158 829 1HD2 ASN 113 1HD2 ASN 113 2.377 11.472 8.979 830 H ARG 114 H ARG 114 5.618 7.460 6.106 831 HA ARG 114 HA ARG 114 7.673 7.236 8.203 832 1HB ARG 114 1HB ARG 114 5.372 5.529 7.442 833 2HB ARG 114 2HB ARG 114 6.836 4.711 7.954 834 1HG ARG 114 1HG ARG 114 5.693 4.914 9.937 835 2HG ARG 114 2HG ARG 114 6.726 6.346 9.975 836 1HD ARG 114 1HD ARG 114 4.765 7.366 10.467 837 2HD ARG 114 2HD ARG 114 4.609 7.379 8.711 838 HE ARG 114 HE ARG 114 3.297 5.257 9.027 839 1HH1 ARG 114 1HH1 ARG 114 3.503 7.681 11.522 840 2HH1 ARG 114 2HH1 ARG 114 1.987 7.253 12.241 841 1HH2 ARG 114 1HH2 ARG 114 1.299 4.688 9.968 842 2HH2 ARG 114 2HH2 ARG 114 0.734 5.552 11.358 843 H CYS 115 H CYS 115 7.522 7.445 4.996 844 HA CYS 115 HA CYS 115 9.525 5.333 4.556 845 1HB CYS 115 1HB CYS 115 7.492 6.566 2.725 846 2HB CYS 115 2HB CYS 115 8.915 5.757 2.079 847 H LYS 116 H LYS 116 8.703 8.655 3.533 848 HA LYS 116 HA LYS 116 11.165 9.192 2.297 849 1HB LYS 116 1HB LYS 116 9.018 10.506 2.063 850 2HB LYS 116 2HB LYS 116 9.378 11.228 3.625 851 1HG LYS 116 1HG LYS 116 11.532 12.042 2.671 852 2HG LYS 116 2HG LYS 116 10.991 11.458 1.096 853 1HD LYS 116 1HD LYS 116 9.139 12.969 1.095 854 2HD LYS 116 2HD LYS 116 9.439 13.423 2.774 855 1HE LYS 116 1HE LYS 116 11.169 14.797 2.236 856 2HE LYS 116 2HE LYS 116 11.657 13.819 0.852 857 1HZ LYS 116 1HZ LYS 116 9.116 14.925 0.362 858 2HZ LYS 116 2HZ LYS 116 10.164 16.165 0.839 859 3HZ LYS 116 3HZ LYS 116 10.560 15.182 -0.480 860 H GLY 117 H GLY 117 12.861 8.510 3.616 861 1HA GLY 117 1HA GLY 117 13.170 9.919 6.180 862 2HA GLY 117 2HA GLY 117 14.440 10.033 4.972 863 H THR 118 H THR 118 13.322 7.019 4.506 864 HA THR 118 HA THR 118 15.134 5.875 6.528 865 HB THR 118 HB THR 118 13.790 3.816 6.446 866 HG1 THR 118 HG1 THR 118 12.895 4.040 4.361 867 1HG2 THR 118 1HG2 THR 118 13.204 6.083 7.814 868 2HG2 THR 118 2HG2 THR 118 11.677 5.796 6.978 869 3HG2 THR 118 3HG2 THR 118 12.355 4.551 8.027 870 H ASP 119 H ASP 119 14.744 3.219 5.185 871 HA ASP 119 HA ASP 119 16.303 3.685 2.752 872 1HB ASP 119 1HB ASP 119 17.538 2.891 4.897 873 2HB ASP 119 2HB ASP 119 16.911 1.343 4.384 874 H VAL 120 H VAL 120 14.756 3.209 1.287 875 HA VAL 120 HA VAL 120 12.962 1.017 1.527 876 HB VAL 120 HB VAL 120 12.412 1.501 -0.855 877 1HG1 VAL 120 1HG1 VAL 120 11.347 2.672 1.079 878 2HG1 VAL 120 2HG1 VAL 120 12.488 3.995 0.834 879 3HG1 VAL 120 3HG1 VAL 120 11.328 3.586 -0.429 880 1HG2 VAL 120 1HG2 VAL 120 14.953 2.661 -0.877 881 2HG2 VAL 120 2HG2 VAL 120 13.763 2.673 -2.178 882 3HG2 VAL 120 3HG2 VAL 120 13.824 4.008 -1.028 883 H GLN 121 H GLN 121 16.066 1.540 -0.030 884 HA GLN 121 HA GLN 121 16.139 -0.747 -1.648 885 1HB GLN 121 1HB GLN 121 17.787 1.246 -1.529 886 2HB GLN 121 2HB GLN 121 18.567 0.341 -0.240 887 1HG GLN 121 1HG GLN 121 18.762 -1.578 -1.854 888 2HG GLN 121 2HG GLN 121 18.238 -0.461 -3.115 889 2HE2 GLN 121 2HE2 GLN 121 20.493 -0.296 -0.374 890 1HE2 GLN 121 1HE2 GLN 121 21.832 0.296 -1.291 891 H ALA 122 H ALA 122 16.367 -0.300 1.740 892 HA ALA 122 HA ALA 122 17.498 -2.934 2.233 893 1HB ALA 122 1HB ALA 122 16.857 -0.562 3.925 894 2HB ALA 122 2HB ALA 122 17.001 -2.149 4.683 895 3HB ALA 122 3HB ALA 122 18.362 -1.473 3.786 896 H TRP 123 H TRP 123 14.430 -1.367 2.004 897 HA TRP 123 HA TRP 123 12.889 -3.026 3.673 898 1HB TRP 123 1HB TRP 123 12.325 -1.222 1.379 899 2HB TRP 123 2HB TRP 123 11.081 -2.391 1.808 900 HD1 TRP 123 HD1 TRP 123 11.535 1.017 2.335 901 HE1 TRP 123 HE1 TRP 123 10.686 1.843 4.622 902 HE3 TRP 123 HE3 TRP 123 11.264 -3.437 4.800 903 HZ2 TRP 123 HZ2 TRP 123 10.005 0.717 7.108 904 HZ3 TRP 123 HZ3 TRP 123 10.508 -3.486 7.121 905 HH2 TRP 123 HH2 TRP 123 9.885 -1.427 8.264 906 H ILE 124 H ILE 124 14.495 -3.724 0.768 907 HA ILE 124 HA ILE 124 13.001 -6.252 0.521 908 HB ILE 124 HB ILE 124 13.724 -6.180 -1.932 909 1HG1 ILE 124 1HG1 ILE 124 13.513 -3.352 -2.202 910 2HG1 ILE 124 2HG1 ILE 124 14.786 -3.686 -1.031 911 1HG2 ILE 124 1HG2 ILE 124 11.445 -5.191 -0.573 912 2HG2 ILE 124 2HG2 ILE 124 11.755 -4.133 -1.949 913 3HG2 ILE 124 3HG2 ILE 124 11.548 -5.867 -2.200 914 1HD1 ILE 124 1HD1 ILE 124 15.238 -5.477 -3.109 915 2HD1 ILE 124 2HD1 ILE 124 14.804 -3.958 -3.892 916 3HD1 ILE 124 3HD1 ILE 124 16.143 -4.008 -2.747 917 H ARG 125 H ARG 125 15.656 -5.125 1.703 918 HA ARG 125 HA ARG 125 17.783 -6.429 0.386 919 1HB ARG 125 1HB ARG 125 17.503 -4.744 2.595 920 2HB ARG 125 2HB ARG 125 18.184 -6.226 3.251 921 1HG ARG 125 1HG ARG 125 19.487 -5.369 0.794 922 2HG ARG 125 2HG ARG 125 19.591 -4.179 2.093 923 1HD ARG 125 1HD ARG 125 21.462 -5.491 2.465 924 2HD ARG 125 2HD ARG 125 20.274 -6.198 3.561 925 HE ARG 125 HE ARG 125 19.972 -7.979 1.935 926 1HH1 ARG 125 1HH1 ARG 125 22.777 -5.947 1.554 927 2HH1 ARG 125 2HH1 ARG 125 23.664 -7.122 0.643 928 1HH2 ARG 125 1HH2 ARG 125 21.133 -9.532 0.735 929 2HH2 ARG 125 2HH2 ARG 125 22.730 -9.160 0.177 930 H GLY 126 H GLY 126 17.327 -8.555 -0.088 931 1HA GLY 126 1HA GLY 126 16.924 -10.340 2.233 932 2HA GLY 126 2HA GLY 126 18.077 -10.712 0.961 933 H CYS 127 H CYS 127 15.410 -9.226 -0.378 934 HA CYS 127 HA CYS 127 13.593 -11.373 -0.512 935 1HB CYS 127 1HB CYS 127 13.879 -8.772 -1.782 936 2HB CYS 127 2HB CYS 127 12.881 -9.931 -2.635 937 H ARG 128 H ARG 128 12.856 -11.862 -3.004 938 HA ARG 128 HA ARG 128 15.171 -12.580 -4.611 939 1HB ARG 128 1HB ARG 128 14.419 -14.442 -2.860 940 2HB ARG 128 2HB ARG 128 13.238 -14.792 -4.116 941 1HG ARG 128 1HG ARG 128 15.056 -15.090 -5.731 942 2HG ARG 128 2HG ARG 128 16.231 -14.765 -4.456 943 1HD ARG 128 1HD ARG 128 14.746 -16.719 -3.305 944 2HD ARG 128 2HD ARG 128 14.645 -17.181 -5.004 945 HE ARG 128 HE ARG 128 17.322 -16.596 -4.267 946 1HH1 ARG 128 1HH1 ARG 128 14.846 -19.031 -3.979 947 2HH1 ARG 128 2HH1 ARG 128 15.971 -20.338 -3.814 948 1HH2 ARG 128 1HH2 ARG 128 18.809 -18.311 -4.049 949 2HH2 ARG 128 2HH2 ARG 128 18.223 -19.929 -3.853 950 H LEU 129 H LEU 129 14.596 -11.600 -6.447 951 HA LEU 129 HA LEU 129 12.108 -12.441 -7.728 952 1HB LEU 129 1HB LEU 129 11.755 -10.038 -8.472 953 2HB LEU 129 2HB LEU 129 11.360 -10.417 -6.806 954 HG LEU 129 HG LEU 129 14.105 -9.482 -7.120 955 1HD1 LEU 129 1HD1 LEU 129 12.070 -8.112 -8.599 956 2HD1 LEU 129 2HD1 LEU 129 12.640 -7.093 -7.276 957 3HD1 LEU 129 3HD1 LEU 129 13.787 -7.737 -8.450 958 1HD2 LEU 129 1HD2 LEU 129 12.657 -9.767 -5.023 959 2HD2 LEU 129 2HD2 LEU 129 13.630 -8.303 -5.161 960 3HD2 LEU 129 3HD2 LEU 129 11.901 -8.249 -5.503 No H/Q in entry = 960
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