NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650207 | 6wa3 | 30738 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 2 H GLY 2 9.535 11.846 5.500 2 HA2 GLY 2 2HA GLY 2 8.469 12.099 8.207 3 HA3 GLY 2 3HA GLY 2 10.217 12.160 8.038 4 H ASN 3 H ASN 3 8.065 13.448 5.606 5 HA ASN 3 HA ASN 3 8.771 16.173 6.472 6 HB2 ASN 3 2HB ASN 3 9.576 14.867 4.092 7 HB3 ASN 3 3HB ASN 3 8.376 16.070 3.630 8 HD21 ASN 3 1HD2 ASN 3 9.059 18.067 3.340 9 HD22 ASN 3 2HD2 ASN 3 10.552 18.720 3.913 10 H GLY 4 H GLY 4 6.680 14.594 4.041 11 HA2 GLY 4 2HA GLY 4 4.510 16.397 4.908 12 HA3 GLY 4 3HA GLY 4 4.661 15.721 3.293 13 H GLN 5 H GLN 5 2.335 15.576 4.909 14 HA GLN 5 HA GLN 5 2.200 12.668 5.366 15 HB2 GLN 5 2HB GLN 5 1.166 14.943 6.988 16 HB3 GLN 5 3HB GLN 5 0.191 13.481 6.911 17 HG2 GLN 5 2HG GLN 5 1.419 12.828 8.654 18 HG3 GLN 5 3HG GLN 5 2.640 12.449 7.441 19 HE21 GLN 5 1HE2 GLN 5 2.239 13.837 10.326 20 HE22 GLN 5 2HE2 GLN 5 3.510 15.007 10.295 21 H GLY 6 H GLY 6 -0.081 11.813 5.191 22 HA2 GLY 6 2HA GLY 6 -1.670 13.314 3.220 23 HA3 GLY 6 3HA GLY 6 -1.186 11.663 2.863 24 H ARG 7 H ARG 7 -3.869 12.661 3.034 25 HA ARG 7 HA ARG 7 -5.056 11.984 5.517 26 HB2 ARG 7 2HB ARG 7 -5.980 12.700 2.814 27 HB3 ARG 7 3HB ARG 7 -7.079 11.663 3.714 28 HG2 ARG 7 2HG ARG 7 -7.856 13.475 4.718 29 HG3 ARG 7 3HG ARG 7 -6.291 13.646 5.515 30 HD2 ARG 7 2HD ARG 7 -6.370 15.674 4.498 31 HD3 ARG 7 3HD ARG 7 -5.673 14.747 3.170 32 HE ARG 7 HE ARG 7 -8.355 14.546 2.774 33 HH11 ARG 7 1HH1 ARG 7 -6.148 17.205 3.190 34 HH12 ARG 7 2HH1 ARG 7 -7.071 18.295 2.209 35 HH21 ARG 7 1HH2 ARG 7 -9.580 15.971 1.481 36 HH22 ARG 7 2HH2 ARG 7 -9.023 17.593 1.238 37 H ASP 8 H ASP 8 -5.092 10.256 2.393 38 HA ASP 8 HA ASP 8 -6.286 7.913 3.344 39 HB2 ASP 8 2HB ASP 8 -4.948 8.785 0.910 40 HB3 ASP 8 3HB ASP 8 -4.630 7.090 1.268 41 H TRP 9 H TRP 9 -3.031 9.063 3.578 42 HA TRP 9 HA TRP 9 -1.774 6.562 4.073 43 HB2 TRP 9 2HB TRP 9 -0.435 8.439 3.362 44 HB3 TRP 9 3HB TRP 9 -0.950 9.391 4.752 45 HD1 TRP 9 HD1 TRP 9 0.735 9.440 6.670 46 HE1 TRP 9 HE1 TRP 9 2.689 7.960 7.454 47 HE3 TRP 9 HE3 TRP 9 0.301 5.653 3.264 48 HZ2 TRP 9 HZ2 TRP 9 3.889 5.511 6.724 49 HZ3 TRP 9 HZ3 TRP 9 1.892 3.779 3.375 50 HH2 TRP 9 HH2 TRP 9 3.648 3.712 5.070 51 H LYS 10 H LYS 10 -2.489 9.242 6.322 52 HA LYS 10 HA LYS 10 -2.029 7.703 8.648 53 HB2 LYS 10 2HB LYS 10 -2.250 10.334 8.203 54 HB3 LYS 10 3HB LYS 10 -3.881 10.024 8.783 55 HG2 LYS 10 2HG LYS 10 -2.751 10.599 10.711 56 HG3 LYS 10 3HG LYS 10 -2.710 8.835 10.752 57 HD2 LYS 10 2HD LYS 10 -0.462 8.745 10.212 58 HD3 LYS 10 3HD LYS 10 -0.473 10.344 9.464 59 HE2 LYS 10 2HE LYS 10 0.580 10.877 11.407 60 HE3 LYS 10 3HE LYS 10 -1.088 11.071 11.944 61 HZ1 LYS 10 1HZ LYS 10 0.714 9.561 13.201 62 HZ2 LYS 10 2HZ LYS 10 0.000 8.397 12.203 63 HZ3 LYS 10 3HZ LYS 10 -0.954 9.287 13.279 64 H MET 11 H MET 11 -4.831 8.206 6.641 65 HA MET 11 HA MET 11 -6.749 7.239 8.521 66 HB2 MET 11 2HB MET 11 -6.796 7.704 5.548 67 HB3 MET 11 3HB MET 11 -8.160 6.973 6.385 68 HG2 MET 11 2HG MET 11 -7.068 9.533 7.423 69 HG3 MET 11 3HG MET 11 -8.033 9.560 5.949 70 HE1 MET 11 1HE MET 11 -10.237 10.632 6.418 71 HE2 MET 11 2HE MET 11 -10.557 9.010 5.804 72 HE3 MET 11 3HE MET 11 -11.505 9.647 7.149 73 H ALA 12 H ALA 12 -4.876 5.790 5.905 74 HA ALA 12 HA ALA 12 -6.149 3.270 5.916 75 HB1 ALA 12 1HB ALA 12 -4.186 2.482 4.689 76 HB2 ALA 12 2HB ALA 12 -4.767 4.023 4.055 77 HB3 ALA 12 3HB ALA 12 -3.336 3.976 5.086 78 H ILE 13 H ILE 13 -3.216 4.448 7.542 79 HA ILE 13 HA ILE 13 -2.510 2.028 8.777 80 HB ILE 13 HB ILE 13 -1.986 4.842 9.743 81 HG12 ILE 13 2HG1 ILE 13 -1.150 4.377 7.458 82 HG13 ILE 13 3HG1 ILE 13 0.157 4.633 8.608 83 HG21 ILE 13 1HG2 ILE 13 -1.185 3.848 11.567 84 HG22 ILE 13 2HG2 ILE 13 -1.347 2.245 10.853 85 HG23 ILE 13 3HG2 ILE 13 0.098 3.205 10.543 86 HD11 ILE 13 1HD1 ILE 13 -0.535 1.844 8.435 87 HD12 ILE 13 2HD1 ILE 13 -0.140 2.509 6.850 88 HD13 ILE 13 3HD1 ILE 13 1.016 2.641 8.175 89 H LYS 14 H LYS 14 -4.288 4.819 10.104 90 HA LYS 14 HA LYS 14 -4.831 3.806 12.621 91 HB2 LYS 14 2HB LYS 14 -5.415 6.113 11.384 92 HB3 LYS 14 3HB LYS 14 -6.995 5.346 11.290 93 HG2 LYS 14 2HG LYS 14 -6.220 4.936 13.911 94 HG3 LYS 14 3HG LYS 14 -5.653 6.568 13.547 95 HD2 LYS 14 2HD LYS 14 -7.885 7.191 12.794 96 HD3 LYS 14 3HD LYS 14 -8.460 5.549 13.098 97 HE2 LYS 14 2HE LYS 14 -7.150 6.987 15.339 98 HE3 LYS 14 3HE LYS 14 -8.760 7.521 14.861 99 HZ1 LYS 14 1HZ LYS 14 -8.200 5.453 16.534 100 HZ2 LYS 14 2HZ LYS 14 -8.555 4.672 15.077 101 HZ3 LYS 14 3HZ LYS 14 -9.683 5.727 15.767 102 H ARG 15 H ARG 15 -6.606 3.331 9.599 103 HA ARG 15 HA ARG 15 -8.725 1.838 10.779 104 HB2 ARG 15 2HB ARG 15 -7.795 2.365 7.986 105 HB3 ARG 15 3HB ARG 15 -8.962 1.081 8.270 106 HG2 ARG 15 2HG ARG 15 -9.917 3.293 9.690 107 HG3 ARG 15 3HG ARG 15 -9.367 3.917 8.133 108 HD2 ARG 15 2HD ARG 15 -10.774 2.404 6.945 109 HD3 ARG 15 3HD ARG 15 -11.161 1.516 8.418 110 HE ARG 15 HE ARG 15 -12.403 3.913 7.476 111 HH11 ARG 15 1HH1 ARG 15 -11.583 2.089 10.326 112 HH12 ARG 15 2HH1 ARG 15 -12.859 2.765 11.284 113 HH21 ARG 15 1HH2 ARG 15 -14.086 4.809 8.727 114 HH22 ARG 15 2HH2 ARG 15 -14.283 4.311 10.374 115 H CYS 16 H CYS 16 -5.709 0.978 9.149 116 HA CYS 16 HA CYS 16 -6.074 -1.768 8.935 117 HB2 CYS 16 2HB CYS 16 -4.098 -0.128 8.211 118 HB3 CYS 16 3HB CYS 16 -3.370 -0.769 9.679 119 HG CYS 16 HG CYS 16 -4.205 -2.452 6.837 120 H SER 17 H SER 17 -5.159 0.183 11.695 121 HA SER 17 HA SER 17 -4.135 -1.735 13.405 122 HB2 SER 17 2HB SER 17 -4.680 0.900 13.652 123 HB3 SER 17 3HB SER 17 -5.985 0.231 14.630 124 HG SER 17 HG SER 17 -3.650 0.666 15.496 125 H ASN 18 H ASN 18 -7.422 -1.195 12.401 126 HA ASN 18 HA ASN 18 -8.578 -2.850 14.457 127 HB2 ASN 18 2HB ASN 18 -9.638 -0.874 13.039 128 HB3 ASN 18 3HB ASN 18 -10.057 -2.192 11.948 129 HD21 ASN 18 1HD2 ASN 18 -12.074 -2.775 12.238 130 HD22 ASN 18 2HD2 ASN 18 -12.884 -2.932 13.756 131 H VAL 19 H VAL 19 -7.474 -3.237 11.165 132 HA VAL 19 HA VAL 19 -8.716 -5.578 10.400 133 HB VAL 19 HB VAL 19 -5.850 -4.789 9.857 134 HG11 VAL 19 1HG1 VAL 19 -7.649 -6.719 8.393 135 HG12 VAL 19 2HG1 VAL 19 -6.026 -6.237 7.895 136 HG13 VAL 19 3HG1 VAL 19 -6.257 -7.149 9.387 137 HG21 VAL 19 1HG2 VAL 19 -7.744 -3.180 9.234 138 HG22 VAL 19 2HG2 VAL 19 -6.603 -3.631 7.967 139 HG23 VAL 19 3HG2 VAL 19 -8.196 -4.385 8.028 140 H ALA 20 H ALA 20 -8.595 -7.666 10.960 141 HA ALA 20 HA ALA 20 -6.757 -8.390 13.122 142 HB1 ALA 20 1HB ALA 20 -8.867 -10.262 12.202 143 HB2 ALA 20 2HB ALA 20 -8.288 -9.918 13.832 144 HB3 ALA 20 3HB ALA 20 -9.376 -8.787 13.026 145 H VAL 21 H VAL 21 -4.840 -8.957 12.227 146 HA VAL 21 HA VAL 21 -4.502 -10.290 9.773 147 HB VAL 21 HB VAL 21 -2.572 -10.404 12.088 148 HG11 VAL 21 1HG1 VAL 21 -0.892 -10.721 10.459 149 HG12 VAL 21 2HG1 VAL 21 -2.205 -11.815 10.017 150 HG13 VAL 21 3HG1 VAL 21 -1.984 -10.300 9.140 151 HG21 VAL 21 1HG2 VAL 21 -2.484 -8.179 12.021 152 HG22 VAL 21 2HG2 VAL 21 -1.782 -8.337 10.411 153 HG23 VAL 21 3HG2 VAL 21 -3.521 -8.111 10.596 154 H GLY 22 H GLY 22 -4.716 -11.487 13.097 155 HA2 GLY 22 2HA GLY 22 -4.123 -14.195 12.469 156 HA3 GLY 22 3HA GLY 22 -4.895 -13.620 13.939 157 H VAL 23 H VAL 23 -6.915 -12.300 11.975 158 HA VAL 23 HA VAL 23 -8.978 -12.780 11.140 159 HB VAL 23 HB VAL 23 -7.950 -15.577 10.662 160 HG11 VAL 23 1HG1 VAL 23 -10.273 -13.980 9.662 161 HG12 VAL 23 2HG1 VAL 23 -9.582 -15.264 8.668 162 HG13 VAL 23 3HG1 VAL 23 -10.230 -15.636 10.266 163 HG21 VAL 23 1HG2 VAL 23 -7.760 -13.179 8.841 164 HG22 VAL 23 2HG2 VAL 23 -6.412 -13.906 9.716 165 HG23 VAL 23 3HG2 VAL 23 -7.247 -14.823 8.462 166 H GLY 24 H GLY 24 -10.226 -12.604 12.954 167 HA2 GLY 24 2HA GLY 24 -11.689 -14.754 13.871 168 HA3 GLY 24 3HA GLY 24 -10.336 -14.610 14.982 169 H GLY 25 H GLY 25 -10.233 -11.673 14.663 170 HA2 GLY 25 2HA GLY 25 -11.438 -9.763 15.314 171 HA3 GLY 25 3HA GLY 25 -12.793 -10.793 15.750 172 H LYS 26 H LYS 26 -9.383 -10.837 16.758 173 HA LYS 26 HA LYS 26 -9.868 -9.783 19.340 174 HB2 LYS 26 2HB LYS 26 -10.615 -12.474 19.047 175 HB3 LYS 26 3HB LYS 26 -9.071 -12.505 19.888 176 HG2 LYS 26 2HG LYS 26 -10.342 -10.564 21.268 177 HG3 LYS 26 3HG LYS 26 -11.705 -11.582 20.801 178 HD2 LYS 26 2HD LYS 26 -9.742 -13.370 21.631 179 HD3 LYS 26 3HD LYS 26 -9.651 -12.040 22.788 180 HE2 LYS 26 2HE LYS 26 -11.732 -12.437 23.615 181 HE3 LYS 26 3HE LYS 26 -12.350 -13.030 22.074 182 HZ1 LYS 26 1HZ LYS 26 -12.226 -14.825 23.644 183 HZ2 LYS 26 2HZ LYS 26 -10.593 -14.511 23.954 184 HZ3 LYS 26 3HZ LYS 26 -11.071 -15.080 22.434 185 H SER 27 H SER 27 -8.020 -8.623 19.175 186 HA SER 27 HA SER 27 -5.799 -8.131 19.210 187 HB2 SER 27 2HB SER 27 -4.516 -9.409 20.605 188 HB3 SER 27 3HB SER 27 -6.077 -10.144 20.971 189 HG SER 27 HG SER 27 -4.561 -11.747 20.495 190 H LYS 28 H LYS 28 -3.528 -9.263 18.441 191 HA LYS 28 HA LYS 28 -2.269 -9.749 16.610 192 HB2 LYS 28 2HB LYS 28 -3.545 -11.961 17.068 193 HB3 LYS 28 3HB LYS 28 -4.483 -11.535 15.642 194 HG2 LYS 28 2HG LYS 28 -2.781 -12.976 14.898 195 HG3 LYS 28 3HG LYS 28 -2.289 -11.354 14.405 196 HD2 LYS 28 2HD LYS 28 -0.866 -11.236 16.445 197 HD3 LYS 28 3HD LYS 28 -1.277 -12.920 16.777 198 HE2 LYS 28 2HE LYS 28 -0.408 -13.395 14.413 199 HE3 LYS 28 3HE LYS 28 0.311 -11.787 14.494 200 HZ1 LYS 28 1HZ LYS 28 0.852 -14.063 16.322 201 HZ2 LYS 28 2HZ LYS 28 1.461 -12.500 16.538 202 HZ3 LYS 28 3HZ LYS 28 1.915 -13.404 15.182 203 H LYS 29 H LYS 29 -3.452 -7.403 16.288 204 HA LYS 29 HA LYS 29 -4.713 -7.417 13.635 205 HB2 LYS 29 2HB LYS 29 -4.533 -5.198 15.683 206 HB3 LYS 29 3HB LYS 29 -5.375 -5.100 14.142 207 HG2 LYS 29 2HG LYS 29 -6.965 -6.754 14.836 208 HG3 LYS 29 3HG LYS 29 -6.063 -7.057 16.323 209 HD2 LYS 29 2HD LYS 29 -6.467 -4.378 16.493 210 HD3 LYS 29 3HD LYS 29 -7.931 -4.888 15.647 211 HE2 LYS 29 2HE LYS 29 -8.574 -6.314 17.398 212 HE3 LYS 29 3HE LYS 29 -6.969 -6.282 18.127 213 HZ1 LYS 29 1HZ LYS 29 -7.322 -4.221 19.035 214 HZ2 LYS 29 2HZ LYS 29 -8.878 -4.875 19.137 215 HZ3 LYS 29 3HZ LYS 29 -8.500 -3.783 17.902 216 H PHE 30 H PHE 30 -4.112 -5.448 12.265 217 HA PHE 30 HA PHE 30 -1.259 -5.507 11.878 218 HB2 PHE 30 2HB PHE 30 -3.613 -4.524 10.366 219 HB3 PHE 30 3HB PHE 30 -2.089 -3.697 10.064 220 HD1 PHE 30 HD1 PHE 30 -4.102 -6.055 8.743 221 HD2 PHE 30 HD2 PHE 30 -0.062 -5.621 10.008 222 HE1 PHE 30 HE1 PHE 30 -3.432 -7.861 7.212 223 HE2 PHE 30 HE2 PHE 30 0.615 -7.425 8.479 224 HZ PHE 30 HZ PHE 30 -1.071 -8.548 7.078 225 H GLY 31 H GLY 31 -0.343 -3.199 11.133 226 HA2 GLY 31 2HA GLY 31 -1.193 -0.929 12.610 227 HA3 GLY 31 3HA GLY 31 0.120 -1.740 13.450 228 H GLU 32 H GLU 32 1.081 0.460 13.027 229 HA GLU 32 HA GLU 32 1.833 1.212 10.405 230 HB2 GLU 32 2HB GLU 32 1.762 2.746 12.376 231 HB3 GLU 32 3HB GLU 32 3.199 1.947 12.998 232 HG2 GLU 32 2HG GLU 32 3.811 2.673 10.367 233 HG3 GLU 32 3HG GLU 32 2.974 4.056 11.070 234 H GLY 33 H GLY 33 3.763 -0.223 13.045 235 HA2 GLY 33 2HA GLY 33 6.093 -0.631 11.541 236 HA3 GLY 33 3HA GLY 33 5.661 -1.511 13.000 237 H ASN 34 H ASN 34 3.320 -2.766 12.096 238 HA ASN 34 HA ASN 34 4.386 -5.047 10.850 239 HB2 ASN 34 2HB ASN 34 1.463 -4.286 10.928 240 HB3 ASN 34 3HB ASN 34 2.146 -5.906 10.833 241 HD21 ASN 34 1HD2 ASN 34 2.711 -6.944 12.661 242 HD22 ASN 34 2HD2 ASN 34 2.530 -6.287 14.249 243 H PHE 35 H PHE 35 2.135 -2.600 9.560 244 HA PHE 35 HA PHE 35 1.908 -3.547 6.980 245 HB2 PHE 35 2HB PHE 35 0.544 -1.709 7.796 246 HB3 PHE 35 3HB PHE 35 1.963 -0.676 7.929 247 HD1 PHE 35 HD1 PHE 35 0.763 -2.931 5.215 248 HD2 PHE 35 HD2 PHE 35 1.771 1.030 6.401 249 HE1 PHE 35 HE1 PHE 35 0.405 -2.153 2.908 250 HE2 PHE 35 HE2 PHE 35 1.414 1.815 4.097 251 HZ PHE 35 HZ PHE 35 0.729 0.223 2.347 252 H ARG 36 H ARG 36 4.455 -1.558 8.388 253 HA ARG 36 HA ARG 36 5.813 -1.019 5.958 254 HB2 ARG 36 2HB ARG 36 6.884 -1.061 8.786 255 HB3 ARG 36 3HB ARG 36 7.688 -0.342 7.396 256 HG2 ARG 36 2HG ARG 36 4.956 0.615 7.895 257 HG3 ARG 36 3HG ARG 36 6.145 1.021 9.135 258 HD2 ARG 36 2HD ARG 36 7.049 1.422 6.369 259 HD3 ARG 36 3HD ARG 36 5.713 2.458 6.869 260 HE ARG 36 HE ARG 36 7.885 2.373 8.751 261 HH11 ARG 36 1HH1 ARG 36 6.630 3.905 5.889 262 HH12 ARG 36 2HH1 ARG 36 7.527 5.369 6.120 263 HH21 ARG 36 1HH2 ARG 36 9.072 4.295 9.067 264 HH22 ARG 36 2HH2 ARG 36 8.917 5.589 7.928 265 H TRP 37 H TRP 37 6.178 -3.516 8.439 266 HA TRP 37 HA TRP 37 8.504 -4.719 7.462 267 HB2 TRP 37 2HB TRP 37 7.719 -5.314 9.641 268 HB3 TRP 37 3HB TRP 37 6.169 -5.857 9.003 269 HD1 TRP 37 HD1 TRP 37 9.670 -7.045 9.713 270 HE1 TRP 37 HE1 TRP 37 9.868 -9.541 9.116 271 HE3 TRP 37 HE3 TRP 37 5.229 -7.647 7.253 272 HZ2 TRP 37 HZ2 TRP 37 8.344 -11.505 7.778 273 HZ3 TRP 37 HZ3 TRP 37 4.675 -9.865 6.344 274 HH2 TRP 37 HH2 TRP 37 6.202 -11.753 6.602 275 H ALA 38 H ALA 38 5.163 -5.020 6.465 276 HA ALA 38 HA ALA 38 5.562 -7.323 4.817 277 HB1 ALA 38 1HB ALA 38 3.336 -5.307 5.000 278 HB2 ALA 38 2HB ALA 38 3.312 -6.674 3.885 279 HB3 ALA 38 3HB ALA 38 3.365 -6.956 5.625 280 H ILE 39 H ILE 39 4.866 -3.918 3.992 281 HA ILE 39 HA ILE 39 5.339 -4.139 1.255 282 HB ILE 39 HB ILE 39 4.238 -2.190 2.176 283 HG12 ILE 39 2HG1 ILE 39 6.809 -1.127 1.043 284 HG13 ILE 39 3HG1 ILE 39 5.738 -2.110 0.051 285 HG21 ILE 39 1HG2 ILE 39 6.881 -1.308 3.310 286 HG22 ILE 39 2HG2 ILE 39 5.296 -0.573 3.546 287 HG23 ILE 39 3HG2 ILE 39 5.654 -2.145 4.261 288 HD11 ILE 39 1HD1 ILE 39 5.591 0.658 0.611 289 HD12 ILE 39 2HD1 ILE 39 4.530 -0.321 -0.403 290 HD13 ILE 39 3HD1 ILE 39 4.171 -0.119 1.312 291 H ARG 40 H ARG 40 7.562 -3.477 3.912 292 HA ARG 40 HA ARG 40 9.809 -2.797 2.360 293 HB2 ARG 40 2HB ARG 40 9.734 -2.313 4.734 294 HB3 ARG 40 3HB ARG 40 9.630 -4.027 5.114 295 HG2 ARG 40 2HG ARG 40 11.842 -4.364 4.834 296 HG3 ARG 40 3HG ARG 40 11.966 -3.190 3.523 297 HD2 ARG 40 2HD ARG 40 12.539 -1.534 4.916 298 HD3 ARG 40 3HD ARG 40 11.308 -1.984 6.095 299 HE ARG 40 HE ARG 40 13.517 -3.794 6.089 300 HH11 ARG 40 1HH1 ARG 40 12.419 -0.700 7.245 301 HH12 ARG 40 2HH1 ARG 40 13.476 -0.691 8.618 302 HH21 ARG 40 1HH2 ARG 40 14.914 -3.794 7.892 303 HH22 ARG 40 2HH2 ARG 40 14.896 -2.451 8.984 304 H MET 41 H MET 41 8.973 -5.897 3.918 305 HA MET 41 HA MET 41 11.094 -7.364 2.807 306 HB2 MET 41 2HB MET 41 9.563 -8.007 4.749 307 HB3 MET 41 3HB MET 41 8.410 -8.528 3.528 308 HG2 MET 41 2HG MET 41 9.473 -10.494 3.983 309 HG3 MET 41 3HG MET 41 10.433 -9.907 2.626 310 HE1 MET 41 1HE MET 41 12.222 -11.654 6.054 311 HE2 MET 41 2HE MET 41 10.650 -10.983 6.487 312 HE3 MET 41 3HE MET 41 10.810 -12.000 5.055 313 H ALA 42 H ALA 42 7.674 -7.203 1.811 314 HA ALA 42 HA ALA 42 7.838 -8.832 -0.430 315 HB1 ALA 42 1HB ALA 42 5.684 -8.265 0.251 316 HB2 ALA 42 2HB ALA 42 6.042 -6.538 0.273 317 HB3 ALA 42 3HB ALA 42 5.884 -7.386 -1.265 318 H ASN 43 H ASN 43 8.717 -5.461 -0.028 319 HA ASN 43 HA ASN 43 8.951 -4.782 -2.752 320 HB2 ASN 43 2HB ASN 43 9.923 -3.650 -0.179 321 HB3 ASN 43 3HB ASN 43 10.743 -3.124 -1.647 322 HD21 ASN 43 1HD2 ASN 43 9.136 -1.551 0.135 323 HD22 ASN 43 2HD2 ASN 43 7.812 -0.937 -0.791 324 H VAL 44 H VAL 44 11.483 -5.677 -0.402 325 HA VAL 44 HA VAL 44 13.595 -5.781 -2.241 326 HB VAL 44 HB VAL 44 13.319 -7.395 0.298 327 HG11 VAL 44 1HG1 VAL 44 15.860 -7.127 0.241 328 HG12 VAL 44 2HG1 VAL 44 15.139 -8.275 -0.889 329 HG13 VAL 44 3HG1 VAL 44 15.652 -6.684 -1.453 330 HG21 VAL 44 1HG2 VAL 44 13.593 -4.557 -0.135 331 HG22 VAL 44 2HG2 VAL 44 13.351 -5.444 1.370 332 HG23 VAL 44 3HG2 VAL 44 14.981 -5.200 0.742 333 H SER 45 H SER 45 11.243 -8.206 -1.255 334 HA SER 45 HA SER 45 12.473 -10.440 -2.449 335 HB2 SER 45 2HB SER 45 10.679 -10.690 -0.812 336 HB3 SER 45 3HB SER 45 9.541 -9.906 -1.909 337 HG SER 45 HG SER 45 10.517 -12.486 -1.916 338 H THR 46 H THR 46 10.598 -7.833 -3.750 339 HA THR 46 HA THR 46 10.231 -9.206 -6.303 340 HB THR 46 HB THR 46 8.899 -7.259 -6.967 341 HG1 THR 46 HG1 THR 46 8.576 -5.569 -5.491 342 HG21 THR 46 1HG2 THR 46 8.283 -9.072 -4.862 343 HG22 THR 46 2HG2 THR 46 7.184 -8.311 -6.013 344 HG23 THR 46 3HG2 THR 46 7.546 -7.516 -4.482 345 H GLY 47 H GLY 47 12.878 -8.274 -5.238 346 HA2 GLY 47 2HA GLY 47 14.773 -7.227 -6.008 347 HA3 GLY 47 3HA GLY 47 14.089 -7.509 -7.602 348 H ARG 48 H ARG 48 12.459 -5.512 -5.257 349 HA ARG 48 HA ARG 48 13.018 -3.176 -6.957 350 HB2 ARG 48 2HB ARG 48 10.659 -3.930 -5.251 351 HB3 ARG 48 3HB ARG 48 10.931 -2.262 -5.738 352 HG2 ARG 48 2HG ARG 48 11.137 -3.437 -8.128 353 HG3 ARG 48 3HG ARG 48 10.060 -4.587 -7.333 354 HD2 ARG 48 2HD ARG 48 8.392 -3.003 -7.020 355 HD3 ARG 48 3HD ARG 48 9.512 -1.650 -7.180 356 HE ARG 48 HE ARG 48 9.538 -2.886 -9.624 357 HH11 ARG 48 1HH1 ARG 48 7.106 -1.467 -7.577 358 HH12 ARG 48 2HH1 ARG 48 6.091 -0.984 -8.896 359 HH21 ARG 48 1HH2 ARG 48 8.211 -2.255 -11.369 360 HH22 ARG 48 2HH2 ARG 48 6.721 -1.433 -11.052 361 H GLU 49 H GLU 49 13.670 -1.242 -6.057 362 HA GLU 49 HA GLU 49 15.351 -1.280 -3.868 363 HB2 GLU 49 2HB GLU 49 14.011 0.855 -5.435 364 HB3 GLU 49 3HB GLU 49 14.682 1.319 -3.878 365 HG2 GLU 49 2HG GLU 49 16.755 1.301 -4.664 366 HG3 GLU 49 3HG GLU 49 16.540 -0.284 -5.405 367 HA PRO 50 HA PRO 50 12.932 -1.032 -0.218 368 HB2 PRO 50 2HB PRO 50 14.342 0.720 1.303 369 HB3 PRO 50 3HB PRO 50 14.899 -0.923 0.965 370 HG2 PRO 50 2HG PRO 50 15.694 1.652 -0.339 371 HG3 PRO 50 3HG PRO 50 16.714 0.292 0.167 372 HD2 PRO 50 2HD PRO 50 15.954 0.666 -2.405 373 HD3 PRO 50 3HD PRO 50 16.209 -0.947 -1.710 374 H GLY 51 H GLY 51 13.513 1.831 -2.059 375 HA2 GLY 51 2HA GLY 51 11.697 3.468 -0.485 376 HA3 GLY 51 3HA GLY 51 12.562 3.964 -1.932 377 H ASP 52 H ASP 52 10.291 1.297 -1.293 378 HA ASP 52 HA ASP 52 8.730 2.206 -3.613 379 HB2 ASP 52 2HB ASP 52 9.511 -0.421 -2.603 380 HB3 ASP 52 3HB ASP 52 7.787 -0.311 -2.948 381 H ILE 53 H ILE 53 7.358 3.688 -2.704 382 HA ILE 53 HA ILE 53 5.341 2.587 -0.882 383 HB ILE 53 HB ILE 53 5.280 4.854 0.266 384 HG12 ILE 53 2HG1 ILE 53 8.131 5.097 -0.664 385 HG13 ILE 53 3HG1 ILE 53 6.814 5.845 -1.562 386 HG21 ILE 53 1HG2 ILE 53 7.597 2.966 0.608 387 HG22 ILE 53 2HG2 ILE 53 7.238 4.267 1.742 388 HG23 ILE 53 3HG2 ILE 53 6.064 2.978 1.480 389 HD11 ILE 53 1HD1 ILE 53 6.972 6.381 1.346 390 HD12 ILE 53 2HD1 ILE 53 8.167 7.142 0.294 391 HD13 ILE 53 3HD1 ILE 53 6.447 7.423 0.024 392 HA PRO 54 HA PRO 54 3.491 4.765 -4.543 393 HB2 PRO 54 2HB PRO 54 1.706 2.798 -5.104 394 HB3 PRO 54 3HB PRO 54 3.357 2.805 -5.735 395 HG2 PRO 54 2HG PRO 54 2.228 1.310 -3.401 396 HG3 PRO 54 3HG PRO 54 3.344 0.745 -4.658 397 HD2 PRO 54 2HD PRO 54 4.181 1.481 -2.190 398 HD3 PRO 54 3HD PRO 54 5.174 1.711 -3.644 399 H GLU 55 H GLU 55 0.895 4.723 -4.952 400 HA GLU 55 HA GLU 55 -0.625 4.714 -2.498 401 HB2 GLU 55 2HB GLU 55 0.213 7.264 -3.839 402 HB3 GLU 55 3HB GLU 55 -1.319 7.177 -2.981 403 HG2 GLU 55 2HG GLU 55 0.361 6.124 -1.138 404 HG3 GLU 55 3HG GLU 55 1.423 7.273 -1.950 405 H THR 56 H THR 56 -0.933 3.222 -4.799 406 HA THR 56 HA THR 56 -3.565 4.127 -5.676 407 HB THR 56 HB THR 56 -3.161 3.841 -8.003 408 HG1 THR 56 HG1 THR 56 -1.468 2.775 -8.781 409 HG21 THR 56 1HG2 THR 56 -1.598 5.587 -8.486 410 HG22 THR 56 2HG2 THR 56 -0.748 5.324 -6.964 411 HG23 THR 56 3HG2 THR 56 -2.382 5.988 -6.959 412 H LEU 57 H LEU 57 -4.998 2.497 -5.905 413 HA LEU 57 HA LEU 57 -4.554 -0.002 -4.822 414 HB2 LEU 57 2HB LEU 57 -6.775 0.849 -5.114 415 HB3 LEU 57 3HB LEU 57 -6.584 0.877 -6.866 416 HG LEU 57 HG LEU 57 -6.167 -1.787 -6.102 417 HD11 LEU 57 1HD1 LEU 57 -8.556 -0.594 -4.704 418 HD12 LEU 57 2HD1 LEU 57 -7.149 -1.331 -3.937 419 HD13 LEU 57 3HD1 LEU 57 -8.244 -2.318 -4.904 420 HD21 LEU 57 1HD2 LEU 57 -7.216 -1.613 -8.096 421 HD22 LEU 57 2HD2 LEU 57 -8.148 -0.197 -7.607 422 HD23 LEU 57 3HD2 LEU 57 -8.659 -1.808 -7.100 423 H ASP 58 H ASP 58 -4.042 1.108 -8.096 424 HA ASP 58 HA ASP 58 -3.776 -1.428 -9.322 425 HB2 ASP 58 2HB ASP 58 -3.099 1.376 -10.038 426 HB3 ASP 58 3HB ASP 58 -2.261 0.101 -10.919 427 H GLN 59 H GLN 59 -1.432 0.791 -7.865 428 HA GLN 59 HA GLN 59 0.881 -0.668 -8.521 429 HB2 GLN 59 2HB GLN 59 0.185 1.575 -6.782 430 HB3 GLN 59 3HB GLN 59 1.486 0.585 -6.134 431 HG2 GLN 59 2HG GLN 59 2.833 1.822 -7.395 432 HG3 GLN 59 3HG GLN 59 2.222 0.877 -8.752 433 HE21 GLN 59 1HE2 GLN 59 1.563 3.785 -6.853 434 HE22 GLN 59 2HE2 GLN 59 0.912 4.706 -8.161 435 H LEU 60 H LEU 60 -1.302 -0.824 -5.752 436 HA LEU 60 HA LEU 60 0.242 -2.630 -4.218 437 HB2 LEU 60 2HB LEU 60 -2.595 -1.725 -4.215 438 HB3 LEU 60 3HB LEU 60 -2.160 -3.149 -3.272 439 HG LEU 60 HG LEU 60 -0.453 -0.798 -2.822 440 HD11 LEU 60 1HD1 LEU 60 -3.371 -0.619 -2.632 441 HD12 LEU 60 2HD1 LEU 60 -2.153 0.655 -2.689 442 HD13 LEU 60 3HD1 LEU 60 -2.508 -0.158 -1.165 443 HD21 LEU 60 1HD2 LEU 60 -1.719 -1.873 -0.503 444 HD22 LEU 60 2HD2 LEU 60 -0.028 -1.977 -0.992 445 HD23 LEU 60 3HD2 LEU 60 -1.178 -3.202 -1.529 446 H ARG 61 H ARG 61 -2.708 -3.215 -6.142 447 HA ARG 61 HA ARG 61 -2.768 -5.970 -5.947 448 HB2 ARG 61 2HB ARG 61 -4.580 -4.635 -6.928 449 HB3 ARG 61 3HB ARG 61 -3.568 -4.278 -8.321 450 HG2 ARG 61 2HG ARG 61 -3.461 -6.896 -8.506 451 HG3 ARG 61 3HG ARG 61 -4.960 -6.797 -7.580 452 HD2 ARG 61 2HD ARG 61 -5.544 -6.830 -9.890 453 HD3 ARG 61 3HD ARG 61 -5.814 -5.191 -9.298 454 HE ARG 61 HE ARG 61 -3.280 -5.142 -10.308 455 HH11 ARG 61 1HH1 ARG 61 -6.411 -6.010 -11.558 456 HH12 ARG 61 2HH1 ARG 61 -6.032 -5.551 -13.186 457 HH21 ARG 61 1HH2 ARG 61 -2.770 -4.535 -12.446 458 HH22 ARG 61 2HH2 ARG 61 -3.961 -4.713 -13.690 459 H LEU 62 H LEU 62 -0.759 -3.938 -7.951 460 HA LEU 62 HA LEU 62 0.134 -5.968 -9.727 461 HB2 LEU 62 2HB LEU 62 0.841 -3.182 -9.105 462 HB3 LEU 62 3HB LEU 62 2.162 -4.167 -9.732 463 HG LEU 62 HG LEU 62 -0.488 -3.770 -11.118 464 HD11 LEU 62 1HD1 LEU 62 1.418 -1.857 -10.808 465 HD12 LEU 62 2HD1 LEU 62 0.314 -1.968 -12.179 466 HD13 LEU 62 3HD1 LEU 62 1.940 -2.638 -12.302 467 HD21 LEU 62 1HD2 LEU 62 0.161 -5.513 -12.334 468 HD22 LEU 62 2HD2 LEU 62 1.723 -5.578 -11.517 469 HD23 LEU 62 3HD2 LEU 62 1.502 -4.527 -12.917 470 H VAL 63 H VAL 63 1.499 -4.557 -6.769 471 HA VAL 63 HA VAL 63 3.896 -5.994 -6.726 472 HB VAL 63 HB VAL 63 2.275 -5.016 -4.371 473 HG11 VAL 63 1HG1 VAL 63 4.586 -4.955 -3.297 474 HG12 VAL 63 2HG1 VAL 63 3.839 -6.541 -3.504 475 HG13 VAL 63 3HG1 VAL 63 5.101 -6.006 -4.616 476 HG21 VAL 63 1HG2 VAL 63 3.492 -3.556 -6.403 477 HG22 VAL 63 2HG2 VAL 63 2.956 -2.948 -4.837 478 HG23 VAL 63 3HG2 VAL 63 4.624 -3.479 -5.053 479 H ILE 64 H ILE 64 0.675 -6.841 -5.588 480 HA ILE 64 HA ILE 64 1.385 -9.168 -4.161 481 HB ILE 64 HB ILE 64 -1.227 -8.572 -5.556 482 HG12 ILE 64 2HG1 ILE 64 -0.657 -6.794 -3.997 483 HG13 ILE 64 3HG1 ILE 64 -1.960 -7.771 -3.327 484 HG21 ILE 64 1HG2 ILE 64 -1.453 -10.119 -3.155 485 HG22 ILE 64 2HG2 ILE 64 -1.974 -10.517 -4.792 486 HG23 ILE 64 3HG2 ILE 64 -0.334 -10.903 -4.270 487 HD11 ILE 64 1HD1 ILE 64 -0.762 -7.964 -1.481 488 HD12 ILE 64 2HD1 ILE 64 0.403 -8.926 -2.391 489 HD13 ILE 64 3HD1 ILE 64 0.625 -7.183 -2.241 490 H CYS 65 H CYS 65 -0.012 -8.837 -7.429 491 HA CYS 65 HA CYS 65 0.062 -11.490 -8.181 492 HB2 CYS 65 2HB CYS 65 0.246 -8.921 -9.709 493 HB3 CYS 65 3HB CYS 65 0.470 -10.445 -10.557 494 HG CYS 65 HG CYS 65 -2.220 -10.682 -8.704 495 H ASP 66 H ASP 66 2.654 -9.116 -8.187 496 HA ASP 66 HA ASP 66 4.529 -10.676 -9.632 497 HB2 ASP 66 2HB ASP 66 5.090 -8.495 -7.612 498 HB3 ASP 66 3HB ASP 66 6.187 -9.078 -8.861 499 H LEU 67 H LEU 67 4.395 -9.922 -6.145 500 HA LEU 67 HA LEU 67 6.374 -11.685 -5.324 501 HB2 LEU 67 2HB LEU 67 5.043 -9.865 -4.032 502 HB3 LEU 67 3HB LEU 67 3.951 -11.192 -3.641 503 HG LEU 67 HG LEU 67 5.795 -12.383 -2.552 504 HD11 LEU 67 1HD1 LEU 67 7.386 -9.937 -3.298 505 HD12 LEU 67 2HD1 LEU 67 7.675 -11.600 -3.806 506 HD13 LEU 67 3HD1 LEU 67 7.908 -11.141 -2.120 507 HD21 LEU 67 1HD2 LEU 67 5.005 -11.352 -0.752 508 HD22 LEU 67 2HD2 LEU 67 4.613 -9.910 -1.689 509 HD23 LEU 67 3HD2 LEU 67 6.222 -10.098 -0.991 510 H GLN 68 H GLN 68 2.931 -12.245 -5.848 511 HA GLN 68 HA GLN 68 2.798 -14.835 -4.764 512 HB2 GLN 68 2HB GLN 68 1.132 -13.181 -6.561 513 HB3 GLN 68 3HB GLN 68 0.895 -14.919 -6.685 514 HG2 GLN 68 2HG GLN 68 0.869 -13.572 -4.018 515 HG3 GLN 68 3HG GLN 68 -0.560 -13.555 -5.051 516 HE21 GLN 68 1HE2 GLN 68 -1.828 -14.835 -3.793 517 HE22 GLN 68 2HE2 GLN 68 -1.507 -16.506 -3.494 518 H GLU 69 H GLU 69 3.462 -13.703 -8.058 519 HA GLU 69 HA GLU 69 3.573 -16.189 -9.322 520 HB2 GLU 69 2HB GLU 69 3.535 -14.131 -10.596 521 HB3 GLU 69 3HB GLU 69 5.083 -13.642 -9.922 522 HG2 GLU 69 2HG GLU 69 6.245 -14.865 -11.383 523 HG3 GLU 69 3HG GLU 69 5.146 -16.237 -11.258 524 H ARG 70 H ARG 70 6.155 -14.316 -7.760 525 HA ARG 70 HA ARG 70 8.226 -16.158 -8.308 526 HB2 ARG 70 2HB ARG 70 8.153 -13.639 -7.319 527 HB3 ARG 70 3HB ARG 70 8.434 -14.546 -5.839 528 HG2 ARG 70 2HG ARG 70 10.253 -15.679 -7.506 529 HG3 ARG 70 3HG ARG 70 10.222 -14.015 -8.094 530 HD2 ARG 70 2HD ARG 70 11.875 -14.015 -6.440 531 HD3 ARG 70 3HD ARG 70 10.458 -13.335 -5.642 532 HE ARG 70 HE ARG 70 10.310 -15.993 -5.088 533 HH11 ARG 70 1HH1 ARG 70 12.759 -13.553 -4.677 534 HH12 ARG 70 2HH1 ARG 70 13.446 -14.294 -3.269 535 HH21 ARG 70 1HH2 ARG 70 11.205 -16.978 -3.236 536 HH22 ARG 70 2HH2 ARG 70 12.562 -16.243 -2.451 537 H ARG 71 H ARG 71 6.470 -15.533 -5.263 538 HA ARG 71 HA ARG 71 7.553 -17.642 -3.803 539 HB2 ARG 71 2HB ARG 71 5.478 -15.713 -3.465 540 HB3 ARG 71 3HB ARG 71 4.849 -17.286 -2.993 541 HG2 ARG 71 2HG ARG 71 7.311 -15.936 -1.909 542 HG3 ARG 71 3HG ARG 71 5.773 -16.168 -1.075 543 HD2 ARG 71 2HD ARG 71 6.688 -18.033 -0.251 544 HD3 ARG 71 3HD ARG 71 6.429 -18.715 -1.856 545 HE ARG 71 HE ARG 71 8.902 -17.313 -1.691 546 HH11 ARG 71 1HH1 ARG 71 7.331 -20.310 -0.874 547 HH12 ARG 71 2HH1 ARG 71 8.797 -21.233 -0.886 548 HH21 ARG 71 1HH2 ARG 71 10.839 -18.517 -1.710 549 HH22 ARG 71 2HH2 ARG 71 10.792 -20.212 -1.361 550 H GLU 72 H GLU 72 5.158 -17.645 -6.291 551 HA GLU 72 HA GLU 72 3.917 -20.120 -5.637 552 HB2 GLU 72 2HB GLU 72 2.745 -18.585 -7.060 553 HB3 GLU 72 3HB GLU 72 4.074 -18.549 -8.210 554 HG2 GLU 72 2HG GLU 72 3.544 -20.589 -9.103 555 HG3 GLU 72 3HG GLU 72 2.743 -21.146 -7.636 556 H LYS 73 H LYS 73 6.209 -19.292 -8.246 557 HA LYS 73 HA LYS 73 6.724 -21.913 -9.061 558 HB2 LYS 73 2HB LYS 73 7.928 -19.272 -9.478 559 HB3 LYS 73 3HB LYS 73 9.079 -20.597 -9.593 560 HG2 LYS 73 2HG LYS 73 6.646 -21.184 -11.037 561 HG3 LYS 73 3HG LYS 73 7.385 -19.678 -11.585 562 HD2 LYS 73 2HD LYS 73 9.533 -20.871 -11.854 563 HD3 LYS 73 3HD LYS 73 8.730 -22.373 -11.389 564 HE2 LYS 73 2HE LYS 73 7.320 -20.979 -13.510 565 HE3 LYS 73 3HE LYS 73 8.984 -21.358 -13.954 566 HZ1 LYS 73 1HZ LYS 73 7.505 -23.500 -12.673 567 HZ2 LYS 73 2HZ LYS 73 8.566 -23.552 -13.989 568 HZ3 LYS 73 3HZ LYS 73 6.961 -23.066 -14.215 569 H PHE 74 H PHE 74 7.909 -20.108 -6.355 570 HA PHE 74 HA PHE 74 10.099 -21.944 -5.847 571 HB2 PHE 74 2HB PHE 74 9.092 -19.445 -4.522 572 HB3 PHE 74 3HB PHE 74 10.227 -20.499 -3.685 573 HD1 PHE 74 HD1 PHE 74 12.393 -19.778 -3.771 574 HD2 PHE 74 HD2 PHE 74 9.879 -19.129 -7.144 575 HE1 PHE 74 HE1 PHE 74 14.263 -18.703 -4.954 576 HE2 PHE 74 HE2 PHE 74 11.745 -18.054 -8.333 577 HZ PHE 74 HZ PHE 74 13.941 -17.840 -7.238 578 H GLY 75 H GLY 75 6.811 -21.451 -4.868 579 HA2 GLY 75 2HA GLY 75 5.877 -23.649 -3.990 580 HA3 GLY 75 3HA GLY 75 7.124 -23.494 -2.761 581 H SER 76 H SER 76 6.649 -22.430 -0.941 582 HA SER 76 HA SER 76 4.740 -20.301 -0.838 583 HB2 SER 76 2HB SER 76 3.512 -21.877 1.037 584 HB3 SER 76 3HB SER 76 2.916 -21.617 -0.602 585 HG SER 76 HG SER 76 3.575 -23.569 -1.173 586 H SER 77 H SER 77 5.095 -19.025 0.896 587 HA SER 77 HA SER 77 6.609 -20.102 3.163 588 HB2 SER 77 2HB SER 77 8.419 -18.769 2.891 589 HB3 SER 77 3HB SER 77 7.890 -18.678 1.211 590 HG SER 77 HG SER 77 8.250 -16.656 2.667 591 H LYS 78 H LYS 78 5.793 -19.478 5.052 592 HA LYS 78 HA LYS 78 3.450 -18.012 5.304 593 HB2 LYS 78 2HB LYS 78 4.038 -17.876 7.738 594 HB3 LYS 78 3HB LYS 78 4.110 -19.498 7.060 595 HG2 LYS 78 2HG LYS 78 6.576 -19.202 6.815 596 HG3 LYS 78 3HG LYS 78 6.422 -17.681 7.697 597 HD2 LYS 78 2HD LYS 78 7.048 -19.327 9.287 598 HD3 LYS 78 3HD LYS 78 5.333 -19.000 9.550 599 HE2 LYS 78 2HE LYS 78 4.798 -21.119 9.138 600 HE3 LYS 78 3HE LYS 78 5.687 -21.105 7.616 601 HZ1 LYS 78 1HZ LYS 78 7.265 -22.328 8.537 602 HZ2 LYS 78 2HZ LYS 78 6.364 -22.422 9.965 603 HZ3 LYS 78 3HZ LYS 78 7.505 -21.189 9.765 604 H GLU 79 H GLU 79 6.806 -16.962 5.800 605 HA GLU 79 HA GLU 79 6.355 -14.385 6.694 606 HB2 GLU 79 2HB GLU 79 8.555 -15.582 5.029 607 HB3 GLU 79 3HB GLU 79 8.569 -13.877 5.460 608 HG2 GLU 79 2HG GLU 79 9.063 -14.282 7.624 609 HG3 GLU 79 3HG GLU 79 8.142 -15.784 7.670 610 H ILE 80 H ILE 80 7.302 -15.087 3.332 611 HA ILE 80 HA ILE 80 6.570 -12.655 2.249 612 HB ILE 80 HB ILE 80 6.466 -15.345 0.880 613 HG12 ILE 80 2HG1 ILE 80 8.689 -13.300 1.070 614 HG13 ILE 80 3HG1 ILE 80 8.655 -14.862 1.882 615 HG21 ILE 80 1HG2 ILE 80 5.255 -13.636 -0.363 616 HG22 ILE 80 2HG2 ILE 80 6.655 -12.569 -0.281 617 HG23 ILE 80 3HG2 ILE 80 6.747 -14.076 -1.193 618 HD11 ILE 80 1HD1 ILE 80 8.701 -15.990 -0.273 619 HD12 ILE 80 2HD1 ILE 80 8.713 -14.429 -1.094 620 HD13 ILE 80 3HD1 ILE 80 10.078 -14.906 -0.086 621 H ASP 81 H ASP 81 4.599 -15.542 2.745 622 HA ASP 81 HA ASP 81 2.322 -14.783 1.335 623 HB2 ASP 81 2HB ASP 81 2.631 -17.036 2.246 624 HB3 ASP 81 3HB ASP 81 2.500 -16.403 3.885 625 H MET 82 H MET 82 3.174 -14.173 4.731 626 HA MET 82 HA MET 82 0.832 -12.833 5.463 627 HB2 MET 82 2HB MET 82 2.931 -13.643 6.853 628 HB3 MET 82 3HB MET 82 3.453 -11.981 6.613 629 HG2 MET 82 2HG MET 82 2.160 -11.313 8.271 630 HG3 MET 82 3HG MET 82 0.740 -11.951 7.447 631 HE1 MET 82 1HE MET 82 -0.408 -14.780 9.341 632 HE2 MET 82 2HE MET 82 -0.537 -13.662 7.983 633 HE3 MET 82 3HE MET 82 0.427 -15.132 7.828 634 H ALA 83 H ALA 83 3.908 -11.542 4.233 635 HA ALA 83 HA ALA 83 3.338 -8.838 4.334 636 HB1 ALA 83 1HB ALA 83 5.460 -8.975 3.650 637 HB2 ALA 83 2HB ALA 83 5.206 -10.541 2.879 638 HB3 ALA 83 3HB ALA 83 4.791 -9.058 2.020 639 H ILE 84 H ILE 84 2.465 -11.202 1.854 640 HA ILE 84 HA ILE 84 1.410 -9.397 -0.025 641 HB ILE 84 HB ILE 84 0.621 -12.270 0.471 642 HG12 ILE 84 2HG1 ILE 84 2.438 -11.289 -1.711 643 HG13 ILE 84 3HG1 ILE 84 3.076 -11.616 -0.103 644 HG21 ILE 84 1HG2 ILE 84 -0.923 -12.008 -1.099 645 HG22 ILE 84 2HG2 ILE 84 -0.495 -10.306 -1.256 646 HG23 ILE 84 3HG2 ILE 84 0.328 -11.515 -2.240 647 HD11 ILE 84 1HD1 ILE 84 1.438 -13.792 -1.074 648 HD12 ILE 84 2HD1 ILE 84 2.778 -13.427 -2.161 649 HD13 ILE 84 3HD1 ILE 84 3.093 -13.802 -0.467 650 H VAL 85 H VAL 85 -0.276 -11.390 2.406 651 HA VAL 85 HA VAL 85 -2.847 -10.410 1.955 652 HB VAL 85 HB VAL 85 -1.766 -11.284 4.635 653 HG11 VAL 85 1HG1 VAL 85 -4.546 -11.515 3.494 654 HG12 VAL 85 2HG1 VAL 85 -4.027 -11.903 5.136 655 HG13 VAL 85 3HG1 VAL 85 -4.021 -10.229 4.581 656 HG21 VAL 85 1HG2 VAL 85 -3.106 -13.408 3.376 657 HG22 VAL 85 2HG2 VAL 85 -1.982 -12.757 2.184 658 HG23 VAL 85 3HG2 VAL 85 -1.388 -13.291 3.756 659 H THR 86 H THR 86 -0.167 -9.017 3.668 660 HA THR 86 HA THR 86 -1.627 -7.135 5.213 661 HB THR 86 HB THR 86 1.229 -6.880 4.256 662 HG1 THR 86 HG1 THR 86 1.730 -7.936 6.238 663 HG21 THR 86 1HG2 THR 86 1.024 -5.837 6.800 664 HG22 THR 86 2HG2 THR 86 -0.482 -5.327 6.035 665 HG23 THR 86 3HG2 THR 86 1.066 -4.906 5.304 666 H LEU 87 H LEU 87 0.181 -6.814 2.158 667 HA LEU 87 HA LEU 87 -0.499 -4.116 1.710 668 HB2 LEU 87 2HB LEU 87 0.203 -6.232 -0.319 669 HB3 LEU 87 3HB LEU 87 0.258 -4.488 -0.572 670 HG LEU 87 HG LEU 87 1.984 -5.942 1.425 671 HD11 LEU 87 1HD1 LEU 87 2.867 -6.805 -0.491 672 HD12 LEU 87 2HD1 LEU 87 3.734 -5.271 -0.433 673 HD13 LEU 87 3HD1 LEU 87 2.330 -5.449 -1.484 674 HD21 LEU 87 1HD2 LEU 87 1.395 -3.222 1.039 675 HD22 LEU 87 2HD2 LEU 87 3.019 -3.476 0.398 676 HD23 LEU 87 3HD2 LEU 87 2.648 -3.924 2.064 677 H LYS 88 H LYS 88 -2.206 -7.076 1.172 678 HA LYS 88 HA LYS 88 -4.039 -6.128 -0.779 679 HB2 LYS 88 2HB LYS 88 -3.547 -8.561 0.632 680 HB3 LYS 88 3HB LYS 88 -5.253 -8.163 0.797 681 HG2 LYS 88 2HG LYS 88 -5.526 -9.139 -1.179 682 HG3 LYS 88 3HG LYS 88 -4.757 -7.709 -1.873 683 HD2 LYS 88 2HD LYS 88 -3.613 -9.609 -2.737 684 HD3 LYS 88 3HD LYS 88 -2.548 -8.862 -1.544 685 HE2 LYS 88 2HE LYS 88 -2.531 -10.704 -0.292 686 HE3 LYS 88 3HE LYS 88 -4.290 -10.822 -0.326 687 HZ1 LYS 88 1HZ LYS 88 -2.966 -12.721 -1.338 688 HZ2 LYS 88 2HZ LYS 88 -2.641 -11.673 -2.626 689 HZ3 LYS 88 3HZ LYS 88 -4.238 -12.094 -2.261 690 H VAL 89 H VAL 89 -4.564 -6.842 2.680 691 HA VAL 89 HA VAL 89 -7.074 -5.686 2.910 692 HB VAL 89 HB VAL 89 -6.186 -7.067 4.681 693 HG11 VAL 89 1HG1 VAL 89 -4.242 -4.837 5.267 694 HG12 VAL 89 2HG1 VAL 89 -4.386 -6.371 6.127 695 HG13 VAL 89 3HG1 VAL 89 -3.829 -6.346 4.454 696 HG21 VAL 89 1HG2 VAL 89 -7.374 -6.021 6.265 697 HG22 VAL 89 2HG2 VAL 89 -6.332 -4.599 6.239 698 HG23 VAL 89 3HG2 VAL 89 -7.625 -4.766 5.052 699 H PHE 90 H PHE 90 -3.884 -4.204 3.173 700 HA PHE 90 HA PHE 90 -4.766 -1.675 4.080 701 HB2 PHE 90 2HB PHE 90 -2.459 -2.248 4.364 702 HB3 PHE 90 3HB PHE 90 -2.258 -2.542 2.639 703 HD1 PHE 90 HD1 PHE 90 -2.448 -0.021 5.261 704 HD2 PHE 90 HD2 PHE 90 -2.082 -0.690 1.073 705 HE1 PHE 90 HE1 PHE 90 -1.717 2.308 4.956 706 HE2 PHE 90 HE2 PHE 90 -1.349 1.638 0.762 707 HZ PHE 90 HZ PHE 90 -1.165 3.140 2.705 708 H ALA 91 H ALA 91 -4.331 -3.068 0.883 709 HA ALA 91 HA ALA 91 -4.615 -0.680 -0.601 710 HB1 ALA 91 1HB ALA 91 -4.953 -2.100 -2.518 711 HB2 ALA 91 2HB ALA 91 -3.681 -2.785 -1.506 712 HB3 ALA 91 3HB ALA 91 -5.301 -3.482 -1.479 713 H VAL 92 H VAL 92 -6.970 -3.239 0.185 714 HA VAL 92 HA VAL 92 -9.176 -1.879 -0.983 715 HB VAL 92 HB VAL 92 -9.236 -4.046 1.121 716 HG11 VAL 92 1HG1 VAL 92 -11.392 -4.089 -0.772 717 HG12 VAL 92 2HG1 VAL 92 -11.452 -3.962 0.987 718 HG13 VAL 92 3HG1 VAL 92 -11.297 -2.507 0.002 719 HG21 VAL 92 1HG2 VAL 92 -9.372 -4.355 -1.874 720 HG22 VAL 92 2HG2 VAL 92 -7.919 -4.633 -0.914 721 HG23 VAL 92 3HG2 VAL 92 -9.346 -5.640 -0.667 722 H ALA 93 H ALA 93 -8.318 -2.468 2.431 723 HA ALA 93 HA ALA 93 -10.326 -0.803 3.501 724 HB1 ALA 93 1HB ALA 93 -7.808 -1.175 5.022 725 HB2 ALA 93 2HB ALA 93 -9.485 -1.350 5.541 726 HB3 ALA 93 3HB ALA 93 -8.720 -2.621 4.587 727 H GLY 94 H GLY 94 -7.414 -0.057 1.919 728 HA2 GLY 94 2HA GLY 94 -7.190 2.569 3.202 729 HA3 GLY 94 3HA GLY 94 -6.019 1.854 2.104 730 H LEU 95 H LEU 95 -6.808 1.562 -0.186 731 HA LEU 95 HA LEU 95 -7.555 4.041 -1.250 732 HB2 LEU 95 2HB LEU 95 -7.460 1.272 -2.403 733 HB3 LEU 95 3HB LEU 95 -7.971 2.657 -3.365 734 HG LEU 95 HG LEU 95 -5.678 2.211 -3.854 735 HD11 LEU 95 1HD1 LEU 95 -4.858 4.334 -3.649 736 HD12 LEU 95 2HD1 LEU 95 -5.391 4.501 -1.977 737 HD13 LEU 95 3HD1 LEU 95 -6.560 4.624 -3.292 738 HD21 LEU 95 1HD2 LEU 95 -5.067 2.496 -0.917 739 HD22 LEU 95 2HD2 LEU 95 -3.947 2.070 -2.212 740 HD23 LEU 95 3HD2 LEU 95 -5.227 0.948 -1.747 741 H LEU 96 H LEU 96 -9.445 1.086 -0.732 742 HA LEU 96 HA LEU 96 -11.867 2.381 -1.677 743 HB2 LEU 96 2HB LEU 96 -10.951 -0.310 -1.328 744 HB3 LEU 96 3HB LEU 96 -12.473 -0.091 -0.467 745 HG LEU 96 HG LEU 96 -12.293 0.830 -3.295 746 HD11 LEU 96 1HD1 LEU 96 -13.212 -1.647 -3.683 747 HD12 LEU 96 2HD1 LEU 96 -12.074 -1.971 -2.376 748 HD13 LEU 96 3HD1 LEU 96 -11.512 -1.214 -3.867 749 HD21 LEU 96 1HD2 LEU 96 -14.624 -0.660 -2.546 750 HD22 LEU 96 2HD2 LEU 96 -14.487 1.031 -3.029 751 HD23 LEU 96 3HD2 LEU 96 -14.289 0.578 -1.336 752 H ASN 97 H ASN 97 -10.170 2.451 1.124 753 HA ASN 97 HA ASN 97 -10.636 2.922 3.304 754 HB2 ASN 97 2HB ASN 97 -13.025 4.179 1.943 755 HB3 ASN 97 3HB ASN 97 -12.635 4.418 3.644 756 HD21 ASN 97 1HD2 ASN 97 -12.681 6.161 1.150 757 HD22 ASN 97 2HD2 ASN 97 -11.168 6.995 1.206 758 H MET 98 H MET 98 -11.573 0.353 2.255 759 HA MET 98 HA MET 98 -14.123 -0.227 3.395 760 HB2 MET 98 2HB MET 98 -11.949 -1.763 2.091 761 HB3 MET 98 3HB MET 98 -12.998 -2.665 3.177 762 HG2 MET 98 2HG MET 98 -14.806 -1.265 1.701 763 HG3 MET 98 3HG MET 98 -13.530 -1.567 0.523 764 HE1 MET 98 1HE MET 98 -16.382 -3.121 2.706 765 HE2 MET 98 2HE MET 98 -16.731 -2.608 1.056 766 HE3 MET 98 3HE MET 98 -16.821 -4.316 1.485 767 H THR 99 H THR 99 -14.437 -1.861 5.120 768 HA THR 99 HA THR 99 -12.523 -1.394 7.306 769 HB THR 99 HB THR 99 -15.351 -2.367 7.665 770 HG1 THR 99 HG1 THR 99 -15.923 -0.440 6.993 771 HG21 THR 99 1HG2 THR 99 -13.595 -2.509 9.508 772 HG22 THR 99 2HG2 THR 99 -15.098 -1.677 9.908 773 HG23 THR 99 3HG2 THR 99 -13.645 -0.747 9.541 774 H VAL 100 H VAL 100 -11.448 -3.239 5.909 775 HA VAL 100 HA VAL 100 -12.321 -5.855 5.926 776 HB VAL 100 HB VAL 100 -9.478 -4.901 6.300 777 HG11 VAL 100 1HG1 VAL 100 -8.832 -7.070 5.387 778 HG12 VAL 100 2HG1 VAL 100 -9.758 -7.262 6.877 779 HG13 VAL 100 3HG1 VAL 100 -10.526 -7.554 5.316 780 HG21 VAL 100 1HG2 VAL 100 -10.947 -5.632 3.769 781 HG22 VAL 100 2HG2 VAL 100 -10.614 -3.984 4.304 782 HG23 VAL 100 3HG2 VAL 100 -9.282 -5.065 3.897 783 H SER 101 H SER 101 -12.958 -7.108 7.541 784 HA SER 101 HA SER 101 -12.335 -6.525 10.269 785 HB2 SER 101 2HB SER 101 -14.135 -8.293 8.819 786 HB3 SER 101 3HB SER 101 -13.407 -9.096 10.210 787 HG SER 101 HG SER 101 -15.429 -7.485 10.267 788 H THR 102 H THR 102 -11.173 -8.804 7.874 789 HA THR 102 HA THR 102 -8.933 -9.459 9.627 790 HB THR 102 HB THR 102 -9.119 -11.820 9.393 791 HG1 THR 102 HG1 THR 102 -11.058 -12.634 8.202 792 HG21 THR 102 1HG2 THR 102 -11.195 -12.316 10.530 793 HG22 THR 102 2HG2 THR 102 -11.898 -10.795 9.980 794 HG23 THR 102 3HG2 THR 102 -10.559 -10.784 11.127 795 H ALA 103 H ALA 103 -7.042 -9.806 8.556 796 HA ALA 103 HA ALA 103 -6.651 -8.818 6.011 797 HB1 ALA 103 1HB ALA 103 -4.466 -9.324 6.306 798 HB2 ALA 103 2HB ALA 103 -4.998 -9.604 7.964 799 HB3 ALA 103 3HB ALA 103 -4.804 -10.964 6.858 800 H ALA 104 H ALA 104 -7.484 -12.074 7.009 801 HA ALA 104 HA ALA 104 -6.948 -13.389 4.574 802 HB1 ALA 104 1HB ALA 104 -8.661 -14.008 6.944 803 HB2 ALA 104 2HB ALA 104 -8.740 -15.021 5.501 804 HB3 ALA 104 3HB ALA 104 -7.213 -14.830 6.362 805 H ALA 105 H ALA 105 -9.905 -11.901 5.854 806 HA ALA 105 HA ALA 105 -11.612 -12.597 3.743 807 HB1 ALA 105 1HB ALA 105 -12.523 -11.797 5.807 808 HB2 ALA 105 2HB ALA 105 -11.698 -10.248 5.628 809 HB3 ALA 105 3HB ALA 105 -13.002 -10.685 4.525 810 H ALA 106 H ALA 106 -9.547 -9.757 4.220 811 HA ALA 106 HA ALA 106 -10.365 -8.277 1.998 812 HB1 ALA 106 1HB ALA 106 -7.662 -7.726 2.268 813 HB2 ALA 106 2HB ALA 106 -8.992 -6.892 3.072 814 HB3 ALA 106 3HB ALA 106 -8.168 -8.223 3.883 815 H GLU 107 H GLU 107 -7.703 -10.623 2.296 816 HA GLU 107 HA GLU 107 -6.793 -10.442 -0.348 817 HB2 GLU 107 2HB GLU 107 -5.411 -11.504 1.287 818 HB3 GLU 107 3HB GLU 107 -6.657 -12.686 1.662 819 HG2 GLU 107 2HG GLU 107 -5.856 -12.692 -1.141 820 HG3 GLU 107 3HG GLU 107 -4.544 -13.071 -0.027 821 H ASN 108 H ASN 108 -9.349 -12.366 1.111 822 HA ASN 108 HA ASN 108 -9.827 -14.090 -1.063 823 HB2 ASN 108 2HB ASN 108 -10.701 -14.406 1.263 824 HB3 ASN 108 3HB ASN 108 -11.853 -13.109 0.957 825 HD21 ASN 108 1HD2 ASN 108 -10.869 -16.337 0.033 826 HD22 ASN 108 2HD2 ASN 108 -12.380 -16.804 -0.663 827 H MET 109 H MET 109 -11.039 -10.876 -0.275 828 HA MET 109 HA MET 109 -12.984 -10.772 -2.343 829 HB2 MET 109 2HB MET 109 -11.680 -8.752 -0.560 830 HB3 MET 109 3HB MET 109 -12.638 -8.204 -1.929 831 HG2 MET 109 2HG MET 109 -13.767 -10.177 0.008 832 HG3 MET 109 3HG MET 109 -13.745 -8.457 0.391 833 HE1 MET 109 1HE MET 109 -16.736 -8.771 0.461 834 HE2 MET 109 2HE MET 109 -17.384 -9.819 -0.801 835 HE3 MET 109 3HE MET 109 -16.117 -10.412 0.273 836 H TYR 110 H TYR 110 -9.685 -9.470 -2.067 837 HA TYR 110 HA TYR 110 -9.511 -8.196 -4.517 838 HB2 TYR 110 2HB TYR 110 -7.727 -8.930 -2.449 839 HB3 TYR 110 3HB TYR 110 -7.014 -9.497 -3.955 840 HD1 TYR 110 HD1 TYR 110 -5.411 -8.038 -4.730 841 HD2 TYR 110 HD2 TYR 110 -8.941 -6.443 -2.969 842 HE1 TYR 110 HE1 TYR 110 -4.617 -5.762 -5.214 843 HE2 TYR 110 HE2 TYR 110 -8.156 -4.162 -3.450 844 HH TYR 110 HH TYR 110 -5.083 -3.593 -5.137 845 H SER 111 H SER 111 -8.952 -11.599 -3.731 846 HA SER 111 HA SER 111 -8.212 -12.285 -6.424 847 HB2 SER 111 2HB SER 111 -7.706 -14.365 -5.597 848 HB3 SER 111 3HB SER 111 -7.658 -13.457 -4.087 849 HG SER 111 HG SER 111 -9.483 -14.367 -3.458 850 H GLN 112 H GLN 112 -11.099 -12.576 -4.413 851 HA GLN 112 HA GLN 112 -12.639 -14.137 -6.161 852 HB2 GLN 112 2HB GLN 112 -13.246 -12.274 -3.909 853 HB3 GLN 112 3HB GLN 112 -14.570 -12.805 -4.937 854 HG2 GLN 112 2HG GLN 112 -12.727 -14.857 -3.836 855 HG3 GLN 112 3HG GLN 112 -13.904 -14.111 -2.756 856 HE21 GLN 112 1HE2 GLN 112 -13.649 -16.863 -3.839 857 HE22 GLN 112 2HE2 GLN 112 -15.179 -17.203 -4.567 858 H MET 113 H MET 113 -12.048 -10.678 -6.021 859 HA MET 113 HA MET 113 -14.053 -9.991 -7.942 860 HB2 MET 113 2HB MET 113 -12.182 -8.607 -6.260 861 HB3 MET 113 3HB MET 113 -12.052 -7.993 -7.903 862 HG2 MET 113 2HG MET 113 -14.702 -7.983 -7.683 863 HG3 MET 113 3HG MET 113 -14.289 -7.817 -5.978 864 HE1 MET 113 1HE MET 113 -13.730 -4.598 -5.249 865 HE2 MET 113 2HE MET 113 -15.278 -4.617 -6.094 866 HE3 MET 113 3HE MET 113 -14.771 -6.018 -5.148 867 H GLY 114 H GLY 114 -10.835 -11.194 -8.111 868 HA2 GLY 114 2HA GLY 114 -10.064 -12.159 -10.180 869 HA3 GLY 114 3HA GLY 114 -10.921 -10.889 -11.040 870 H LEU 115 H LEU 115 -9.121 -10.012 -8.232 871 HA LEU 115 HA LEU 115 -7.267 -8.516 -9.916 872 HB2 LEU 115 2HB LEU 115 -7.321 -8.386 -6.930 873 HB3 LEU 115 3HB LEU 115 -6.862 -7.142 -8.091 874 HG LEU 115 HG LEU 115 -9.686 -8.087 -7.604 875 HD11 LEU 115 1HD1 LEU 115 -8.050 -6.361 -6.058 876 HD12 LEU 115 2HD1 LEU 115 -9.762 -6.733 -5.854 877 HD13 LEU 115 3HD1 LEU 115 -9.269 -5.380 -6.872 878 HD21 LEU 115 1HD2 LEU 115 -8.510 -5.887 -9.291 879 HD22 LEU 115 2HD2 LEU 115 -10.217 -5.976 -8.856 880 HD23 LEU 115 3HD2 LEU 115 -9.485 -7.258 -9.823 881 H ASP 116 H ASP 116 -7.193 -10.827 -7.221 882 HA ASP 116 HA ASP 116 -4.319 -11.188 -7.588 883 HB2 ASP 116 2HB ASP 116 -5.089 -10.953 -5.296 884 HB3 ASP 116 3HB ASP 116 -6.221 -12.285 -5.509 885 H THR 117 H THR 117 -3.461 -12.849 -8.654 886 HA THR 117 HA THR 117 -4.992 -14.603 -10.201 887 HB THR 117 HB THR 117 -2.205 -15.327 -9.360 888 HG1 THR 117 HG1 THR 117 -2.916 -13.253 -11.187 889 HG21 THR 117 1HG2 THR 117 -3.295 -15.296 -12.147 890 HG22 THR 117 2HG2 THR 117 -3.742 -16.597 -11.043 891 HG23 THR 117 3HG2 THR 117 -2.046 -16.324 -11.445 892 H ARG 118 H ARG 118 -6.200 -16.260 -9.580 893 HA ARG 118 HA ARG 118 -6.960 -18.095 -8.472 894 HB2 ARG 118 2HB ARG 118 -4.052 -18.302 -8.362 895 HB3 ARG 118 3HB ARG 118 -4.836 -19.107 -7.009 896 HG2 ARG 118 2HG ARG 118 -6.349 -20.112 -8.909 897 HG3 ARG 118 3HG ARG 118 -4.949 -19.728 -9.912 898 HD2 ARG 118 2HD ARG 118 -3.637 -21.294 -8.920 899 HD3 ARG 118 3HD ARG 118 -4.420 -21.111 -7.351 900 HE ARG 118 HE ARG 118 -6.259 -22.285 -9.084 901 HH11 ARG 118 1HH1 ARG 118 -3.193 -23.035 -7.614 902 HH12 ARG 118 2HH1 ARG 118 -3.475 -24.745 -7.591 903 HH21 ARG 118 1HH2 ARG 118 -6.641 -24.533 -9.060 904 HH22 ARG 118 2HH2 ARG 118 -5.436 -25.596 -8.415 905 HA PRO 119 HA PRO 119 -8.023 -16.903 -4.387 906 HB2 PRO 119 2HB PRO 119 -8.480 -19.290 -3.177 907 HB3 PRO 119 3HB PRO 119 -9.566 -18.605 -4.392 908 HG2 PRO 119 2HG PRO 119 -7.450 -20.699 -4.708 909 HG3 PRO 119 3HG PRO 119 -9.089 -20.654 -5.384 910 HD2 PRO 119 2HD PRO 119 -6.899 -19.994 -6.832 911 HD3 PRO 119 3HD PRO 119 -8.481 -19.234 -7.094 912 H21 MYR 201 1H2 MYR 1 9.630 9.087 4.962 913 H22 MYR 201 2H2 MYR 1 8.369 10.097 4.283 914 H31 MYR 201 1H3 MYR 1 7.678 7.785 6.223 915 H32 MYR 201 2H3 MYR 1 7.963 7.466 4.511 916 H41 MYR 201 1H4 MYR 1 6.106 9.766 4.859 917 H42 MYR 201 2H4 MYR 1 5.513 8.349 5.728 918 H51 MYR 201 1H5 MYR 1 5.739 6.951 3.624 919 H52 MYR 201 2H5 MYR 1 6.365 8.353 2.752 920 H61 MYR 201 1H6 MYR 1 4.269 9.340 2.527 921 H62 MYR 201 2H6 MYR 1 3.751 8.882 4.151 922 H71 MYR 201 1H7 MYR 1 2.333 7.550 2.786 923 H72 MYR 201 2H7 MYR 1 3.609 6.407 3.215 924 H81 MYR 201 1H8 MYR 1 4.686 6.599 1.042 925 H82 MYR 201 2H8 MYR 1 3.826 8.088 0.643 926 H91 MYR 201 1H9 MYR 1 2.675 6.433 -0.636 927 H92 MYR 201 2H9 MYR 1 1.611 6.679 0.749 928 H101 MYR 201 1H10 MYR 1 3.181 4.674 1.789 929 H102 MYR 201 2H10 MYR 1 3.374 4.274 0.089 930 H111 MYR 201 1H11 MYR 1 0.689 4.431 0.018 931 H112 MYR 201 2H11 MYR 1 0.810 4.362 1.768 932 H121 MYR 201 1H12 MYR 1 0.877 2.092 1.652 933 H122 MYR 201 2H12 MYR 1 2.484 2.210 0.936 934 H131 MYR 201 1H13 MYR 1 1.498 2.308 -1.375 935 H132 MYR 201 2H13 MYR 1 -0.136 2.313 -0.708 936 H141 MYR 201 1H14 MYR 1 0.000 0.000 0.000 937 H142 MYR 201 2H14 MYR 1 0.892 0.000 -1.539 938 H143 MYR 201 3H14 MYR 1 1.783 0.000 0.000 Start of MODEL 2 1 H GLY 2 H GLY 2 6.450 12.433 6.531 2 HA2 GLY 2 2HA GLY 2 7.150 14.565 5.908 3 HA3 GLY 2 3HA GLY 2 8.031 13.857 4.564 4 H ASN 3 H ASN 3 7.090 13.740 2.570 5 HA ASN 3 HA ASN 3 4.625 15.263 2.253 6 HB2 ASN 3 2HB ASN 3 6.703 15.736 0.887 7 HB3 ASN 3 3HB ASN 3 6.424 14.200 0.071 8 HD21 ASN 3 1HD2 ASN 3 5.851 14.802 -1.914 9 HD22 ASN 3 2HD2 ASN 3 4.534 15.852 -2.293 10 H GLY 4 H GLY 4 3.715 13.153 3.359 11 HA2 GLY 4 2HA GLY 4 3.254 10.976 1.503 12 HA3 GLY 4 3HA GLY 4 2.649 11.092 3.149 13 H GLN 5 H GLN 5 0.636 10.289 2.252 14 HA GLN 5 HA GLN 5 -0.832 11.933 0.407 15 HB2 GLN 5 2HB GLN 5 -1.005 9.369 0.795 16 HB3 GLN 5 3HB GLN 5 -2.069 9.805 2.125 17 HG2 GLN 5 2HG GLN 5 -3.461 9.358 0.284 18 HG3 GLN 5 3HG GLN 5 -3.429 11.111 0.462 19 HE21 GLN 5 1HE2 GLN 5 -4.090 11.305 -1.711 20 HE22 GLN 5 2HE2 GLN 5 -2.970 11.086 -3.008 21 H GLY 6 H GLY 6 -0.836 11.374 3.894 22 HA2 GLY 6 2HA GLY 6 -1.367 13.187 5.388 23 HA3 GLY 6 3HA GLY 6 -2.493 13.792 4.183 24 H ARG 7 H ARG 7 -4.585 13.271 4.368 25 HA ARG 7 HA ARG 7 -5.531 11.960 6.677 26 HB2 ARG 7 2HB ARG 7 -6.663 13.699 5.042 27 HB3 ARG 7 3HB ARG 7 -7.265 12.241 4.263 28 HG2 ARG 7 2HG ARG 7 -8.829 11.984 5.810 29 HG3 ARG 7 3HG ARG 7 -7.642 12.093 7.110 30 HD2 ARG 7 2HD ARG 7 -9.424 13.831 7.206 31 HD3 ARG 7 3HD ARG 7 -7.787 14.480 7.131 32 HE ARG 7 HE ARG 7 -8.807 14.298 4.526 33 HH11 ARG 7 1HH1 ARG 7 -9.294 16.097 7.467 34 HH12 ARG 7 2HH1 ARG 7 -9.871 17.515 6.658 35 HH21 ARG 7 1HH2 ARG 7 -9.566 16.159 3.448 36 HH22 ARG 7 2HH2 ARG 7 -10.027 17.550 4.372 37 H ASP 8 H ASP 8 -5.682 10.967 3.255 38 HA ASP 8 HA ASP 8 -6.777 8.443 3.648 39 HB2 ASP 8 2HB ASP 8 -5.545 9.886 1.489 40 HB3 ASP 8 3HB ASP 8 -4.968 8.222 1.489 41 H TRP 9 H TRP 9 -3.556 9.585 4.198 42 HA TRP 9 HA TRP 9 -2.318 6.999 4.238 43 HB2 TRP 9 2HB TRP 9 -0.935 8.896 3.727 44 HB3 TRP 9 3HB TRP 9 -1.406 9.709 5.217 45 HD1 TRP 9 HD1 TRP 9 0.575 9.721 6.821 46 HE1 TRP 9 HE1 TRP 9 2.400 8.048 7.523 47 HE3 TRP 9 HE3 TRP 9 -0.639 5.844 3.717 48 HZ2 TRP 9 HZ2 TRP 9 3.219 5.431 6.850 49 HZ3 TRP 9 HZ3 TRP 9 0.715 3.792 3.808 50 HH2 TRP 9 HH2 TRP 9 2.604 3.592 5.342 51 H LYS 10 H LYS 10 -2.709 9.380 6.865 52 HA LYS 10 HA LYS 10 -2.231 7.622 8.963 53 HB2 LYS 10 2HB LYS 10 -2.290 10.097 9.158 54 HB3 LYS 10 3HB LYS 10 -4.041 10.045 9.005 55 HG2 LYS 10 2HG LYS 10 -4.324 9.485 11.146 56 HG3 LYS 10 3HG LYS 10 -3.010 8.308 11.108 57 HD2 LYS 10 2HD LYS 10 -1.402 9.898 11.639 58 HD3 LYS 10 3HD LYS 10 -2.415 11.243 11.106 59 HE2 LYS 10 2HE LYS 10 -3.818 9.949 13.175 60 HE3 LYS 10 3HE LYS 10 -2.147 10.095 13.720 61 HZ1 LYS 10 1HZ LYS 10 -2.210 12.417 13.462 62 HZ2 LYS 10 2HZ LYS 10 -3.656 12.017 14.243 63 HZ3 LYS 10 3HZ LYS 10 -3.659 12.377 12.590 64 H MET 11 H MET 11 -5.111 8.143 7.084 65 HA MET 11 HA MET 11 -6.896 6.843 8.907 66 HB2 MET 11 2HB MET 11 -7.542 8.533 7.129 67 HB3 MET 11 3HB MET 11 -7.320 7.250 5.947 68 HG2 MET 11 2HG MET 11 -9.332 6.434 6.360 69 HG3 MET 11 3HG MET 11 -8.999 6.343 8.088 70 HE1 MET 11 1HE MET 11 -11.368 8.761 5.515 71 HE2 MET 11 2HE MET 11 -11.212 7.035 5.843 72 HE3 MET 11 3HE MET 11 -12.371 8.006 6.753 73 H ALA 12 H ALA 12 -5.153 5.883 5.979 74 HA ALA 12 HA ALA 12 -6.248 3.316 5.705 75 HB1 ALA 12 1HB ALA 12 -3.470 4.208 4.937 76 HB2 ALA 12 2HB ALA 12 -4.352 2.823 4.290 77 HB3 ALA 12 3HB ALA 12 -4.922 4.460 3.966 78 H ILE 13 H ILE 13 -3.595 4.523 7.671 79 HA ILE 13 HA ILE 13 -2.673 1.936 8.476 80 HB ILE 13 HB ILE 13 -2.178 4.636 9.737 81 HG12 ILE 13 2HG1 ILE 13 -1.394 4.440 7.394 82 HG13 ILE 13 3HG1 ILE 13 -0.062 4.601 8.534 83 HG21 ILE 13 1HG2 ILE 13 -0.265 3.555 10.819 84 HG22 ILE 13 2HG2 ILE 13 -1.792 2.820 11.308 85 HG23 ILE 13 3HG2 ILE 13 -0.756 2.007 10.134 86 HD11 ILE 13 1HD1 ILE 13 -0.387 2.660 6.567 87 HD12 ILE 13 2HD1 ILE 13 0.829 2.698 7.844 88 HD13 ILE 13 3HD1 ILE 13 -0.686 1.832 8.094 89 H LYS 14 H LYS 14 -4.446 4.523 10.174 90 HA LYS 14 HA LYS 14 -4.924 3.114 12.538 91 HB2 LYS 14 2HB LYS 14 -6.106 5.489 11.208 92 HB3 LYS 14 3HB LYS 14 -7.070 4.727 12.467 93 HG2 LYS 14 2HG LYS 14 -4.384 5.004 13.390 94 HG3 LYS 14 3HG LYS 14 -4.950 6.554 12.761 95 HD2 LYS 14 2HD LYS 14 -7.109 5.907 14.158 96 HD3 LYS 14 3HD LYS 14 -5.933 4.958 15.071 97 HE2 LYS 14 2HE LYS 14 -4.578 6.976 15.400 98 HE3 LYS 14 3HE LYS 14 -5.766 7.918 14.501 99 HZ1 LYS 14 1HZ LYS 14 -6.482 8.298 16.606 100 HZ2 LYS 14 2HZ LYS 14 -5.924 6.818 17.205 101 HZ3 LYS 14 3HZ LYS 14 -7.356 6.881 16.306 102 H ARG 15 H ARG 15 -6.998 3.487 9.670 103 HA ARG 15 HA ARG 15 -9.143 1.942 10.574 104 HB2 ARG 15 2HB ARG 15 -8.121 2.517 7.795 105 HB3 ARG 15 3HB ARG 15 -9.596 1.605 8.092 106 HG2 ARG 15 2HG ARG 15 -10.523 3.535 9.300 107 HG3 ARG 15 3HG ARG 15 -9.058 4.445 8.933 108 HD2 ARG 15 2HD ARG 15 -10.908 4.957 7.387 109 HD3 ARG 15 3HD ARG 15 -9.503 4.281 6.565 110 HE ARG 15 HE ARG 15 -10.771 2.472 5.960 111 HH11 ARG 15 1HH1 ARG 15 -12.403 4.217 8.492 112 HH12 ARG 15 2HH1 ARG 15 -13.861 3.290 8.370 113 HH21 ARG 15 1HH2 ARG 15 -12.684 1.244 5.789 114 HH22 ARG 15 2HH2 ARG 15 -14.020 1.598 6.833 115 H CYS 16 H CYS 16 -6.349 0.988 8.585 116 HA CYS 16 HA CYS 16 -7.031 -1.715 8.313 117 HB2 CYS 16 2HB CYS 16 -5.319 -0.673 6.927 118 HB3 CYS 16 3HB CYS 16 -4.301 -0.411 8.337 119 HG CYS 16 HG CYS 16 -4.864 -3.261 6.606 120 H SER 17 H SER 17 -5.575 0.038 10.937 121 HA SER 17 HA SER 17 -4.281 -1.958 12.340 122 HB2 SER 17 2HB SER 17 -4.537 0.576 12.864 123 HB3 SER 17 3HB SER 17 -5.963 0.080 13.775 124 HG SER 17 HG SER 17 -4.486 -1.444 14.849 125 H ASN 18 H ASN 18 -7.718 -1.277 12.108 126 HA ASN 18 HA ASN 18 -8.590 -2.945 14.204 127 HB2 ASN 18 2HB ASN 18 -9.972 -2.006 11.685 128 HB3 ASN 18 3HB ASN 18 -10.786 -2.918 12.953 129 HD21 ASN 18 1HD2 ASN 18 -11.940 -1.675 14.218 130 HD22 ASN 18 2HD2 ASN 18 -11.543 -0.070 14.719 131 H VAL 19 H VAL 19 -7.757 -3.576 10.863 132 HA VAL 19 HA VAL 19 -8.915 -6.053 10.453 133 HB VAL 19 HB VAL 19 -6.194 -5.138 9.506 134 HG11 VAL 19 1HG1 VAL 19 -7.991 -7.355 8.534 135 HG12 VAL 19 2HG1 VAL 19 -6.570 -6.767 7.671 136 HG13 VAL 19 3HG1 VAL 19 -6.391 -7.523 9.255 137 HG21 VAL 19 1HG2 VAL 19 -8.289 -5.098 7.536 138 HG22 VAL 19 2HG2 VAL 19 -8.737 -4.118 8.932 139 HG23 VAL 19 3HG2 VAL 19 -7.232 -3.792 8.071 140 H ALA 20 H ALA 20 -8.363 -8.156 10.894 141 HA ALA 20 HA ALA 20 -6.354 -8.520 13.011 142 HB1 ALA 20 1HB ALA 20 -8.234 -9.374 13.956 143 HB2 ALA 20 2HB ALA 20 -8.951 -9.811 12.405 144 HB3 ALA 20 3HB ALA 20 -7.689 -10.822 13.109 145 H VAL 21 H VAL 21 -4.454 -9.047 12.111 146 HA VAL 21 HA VAL 21 -4.097 -10.375 9.664 147 HB VAL 21 HB VAL 21 -2.122 -10.388 11.944 148 HG11 VAL 21 1HG1 VAL 21 -1.763 -11.780 9.830 149 HG12 VAL 21 2HG1 VAL 21 -1.543 -10.237 9.003 150 HG13 VAL 21 3HG1 VAL 21 -0.464 -10.694 10.321 151 HG21 VAL 21 1HG2 VAL 21 -2.110 -8.164 11.857 152 HG22 VAL 21 2HG2 VAL 21 -1.480 -8.297 10.215 153 HG23 VAL 21 3HG2 VAL 21 -3.217 -8.151 10.483 154 H GLY 22 H GLY 22 -4.364 -11.574 12.963 155 HA2 GLY 22 2HA GLY 22 -3.795 -14.304 12.107 156 HA3 GLY 22 3HA GLY 22 -4.067 -13.766 13.757 157 H VAL 23 H VAL 23 -6.326 -12.651 11.441 158 HA VAL 23 HA VAL 23 -8.571 -12.997 11.230 159 HB VAL 23 HB VAL 23 -7.771 -15.902 11.453 160 HG11 VAL 23 1HG1 VAL 23 -10.033 -16.073 11.523 161 HG12 VAL 23 2HG1 VAL 23 -10.288 -14.510 10.745 162 HG13 VAL 23 3HG1 VAL 23 -9.844 -15.917 9.776 163 HG21 VAL 23 1HG2 VAL 23 -7.663 -13.932 9.209 164 HG22 VAL 23 2HG2 VAL 23 -6.482 -15.151 9.690 165 HG23 VAL 23 3HG2 VAL 23 -7.963 -15.637 8.866 166 H GLY 24 H GLY 24 -9.220 -12.060 13.193 167 HA2 GLY 24 2HA GLY 24 -10.833 -13.590 14.848 168 HA3 GLY 24 3HA GLY 24 -9.275 -13.479 15.654 169 H GLY 25 H GLY 25 -12.020 -12.356 16.246 170 HA2 GLY 25 2HA GLY 25 -12.120 -9.603 15.891 171 HA3 GLY 25 3HA GLY 25 -12.839 -10.459 17.246 172 H LYS 26 H LYS 26 -10.345 -11.477 18.282 173 HA LYS 26 HA LYS 26 -9.157 -8.963 19.261 174 HB2 LYS 26 2HB LYS 26 -10.607 -10.579 20.807 175 HB3 LYS 26 3HB LYS 26 -9.069 -11.423 20.939 176 HG2 LYS 26 2HG LYS 26 -8.054 -9.685 22.052 177 HG3 LYS 26 3HG LYS 26 -9.168 -8.479 21.404 178 HD2 LYS 26 2HD LYS 26 -10.859 -9.061 22.901 179 HD3 LYS 26 3HD LYS 26 -10.136 -10.634 23.250 180 HE2 LYS 26 2HE LYS 26 -9.361 -9.648 25.106 181 HE3 LYS 26 3HE LYS 26 -8.165 -8.917 24.036 182 HZ1 LYS 26 1HZ LYS 26 -8.963 -6.952 24.622 183 HZ2 LYS 26 2HZ LYS 26 -10.202 -7.659 25.531 184 HZ3 LYS 26 3HZ LYS 26 -10.438 -7.338 23.887 185 H SER 27 H SER 27 -8.348 -10.746 17.023 186 HA SER 27 HA SER 27 -5.958 -12.085 17.914 187 HB2 SER 27 2HB SER 27 -7.272 -11.631 15.255 188 HB3 SER 27 3HB SER 27 -5.603 -12.196 15.321 189 HG SER 27 HG SER 27 -6.246 -14.070 16.121 190 H LYS 28 H LYS 28 -3.966 -11.575 16.311 191 HA LYS 28 HA LYS 28 -2.870 -9.162 17.213 192 HB2 LYS 28 2HB LYS 28 -2.078 -11.325 15.396 193 HB3 LYS 28 3HB LYS 28 -1.383 -9.763 14.980 194 HG2 LYS 28 2HG LYS 28 -1.017 -9.918 17.707 195 HG3 LYS 28 3HG LYS 28 -0.735 -11.571 17.153 196 HD2 LYS 28 2HD LYS 28 1.000 -10.902 15.711 197 HD3 LYS 28 3HD LYS 28 0.539 -9.201 15.813 198 HE2 LYS 28 2HE LYS 28 1.622 -10.845 18.099 199 HE3 LYS 28 3HE LYS 28 2.575 -9.738 17.112 200 HZ1 LYS 28 1HZ LYS 28 1.100 -9.135 19.379 201 HZ2 LYS 28 2HZ LYS 28 0.280 -8.417 18.086 202 HZ3 LYS 28 3HZ LYS 28 1.909 -8.053 18.361 203 H LYS 29 H LYS 29 -4.022 -7.346 16.735 204 HA LYS 29 HA LYS 29 -5.193 -6.772 14.235 205 HB2 LYS 29 2HB LYS 29 -4.715 -5.354 16.760 206 HB3 LYS 29 3HB LYS 29 -4.728 -4.304 15.349 207 HG2 LYS 29 2HG LYS 29 -6.935 -4.311 16.101 208 HG3 LYS 29 3HG LYS 29 -6.931 -5.434 14.739 209 HD2 LYS 29 2HD LYS 29 -6.747 -7.315 16.312 210 HD3 LYS 29 3HD LYS 29 -6.793 -6.178 17.662 211 HE2 LYS 29 2HE LYS 29 -8.987 -5.936 15.710 212 HE3 LYS 29 3HE LYS 29 -8.967 -7.427 16.650 213 HZ1 LYS 29 1HZ LYS 29 -8.822 -4.722 17.858 214 HZ2 LYS 29 2HZ LYS 29 -9.043 -6.193 18.664 215 HZ3 LYS 29 3HZ LYS 29 -10.264 -5.585 17.662 216 H PHE 30 H PHE 30 -4.575 -4.987 12.786 217 HA PHE 30 HA PHE 30 -1.800 -5.235 12.041 218 HB2 PHE 30 2HB PHE 30 -4.266 -4.487 10.745 219 HB3 PHE 30 3HB PHE 30 -3.022 -3.284 10.423 220 HD1 PHE 30 HD1 PHE 30 -0.614 -4.508 9.960 221 HD2 PHE 30 HD2 PHE 30 -4.478 -6.094 9.139 222 HE1 PHE 30 HE1 PHE 30 0.357 -5.972 8.238 223 HE2 PHE 30 HE2 PHE 30 -3.512 -7.563 7.418 224 HZ PHE 30 HZ PHE 30 -1.092 -7.504 6.965 225 H GLY 31 H GLY 31 -0.961 -2.934 11.057 226 HA2 GLY 31 2HA GLY 31 -1.436 -0.545 12.343 227 HA3 GLY 31 3HA GLY 31 -0.316 -1.410 13.385 228 H GLU 32 H GLU 32 0.501 0.950 12.391 229 HA GLU 32 HA GLU 32 1.721 1.029 9.907 230 HB2 GLU 32 2HB GLU 32 3.351 2.637 11.033 231 HB3 GLU 32 3HB GLU 32 1.643 3.044 11.121 232 HG2 GLU 32 2HG GLU 32 1.608 2.917 13.343 233 HG3 GLU 32 3HG GLU 32 2.554 1.429 13.365 234 H GLY 33 H GLY 33 2.696 -0.633 12.804 235 HA2 GLY 33 2HA GLY 33 5.418 -1.056 12.089 236 HA3 GLY 33 3HA GLY 33 4.511 -1.960 13.292 237 H ASN 34 H ASN 34 2.682 -3.349 12.104 238 HA ASN 34 HA ASN 34 4.059 -5.378 10.728 239 HB2 ASN 34 2HB ASN 34 1.086 -4.866 10.950 240 HB3 ASN 34 3HB ASN 34 1.805 -6.357 10.352 241 HD21 ASN 34 1HD2 ASN 34 0.539 -4.858 12.997 242 HD22 ASN 34 2HD2 ASN 34 1.215 -5.852 14.238 243 H PHE 35 H PHE 35 2.091 -2.688 9.615 244 HA PHE 35 HA PHE 35 1.754 -3.471 6.949 245 HB2 PHE 35 2HB PHE 35 0.504 -1.616 7.928 246 HB3 PHE 35 3HB PHE 35 1.989 -0.687 8.108 247 HD1 PHE 35 HD1 PHE 35 0.610 -2.676 5.273 248 HD2 PHE 35 HD2 PHE 35 1.906 1.121 6.694 249 HE1 PHE 35 HE1 PHE 35 0.283 -1.728 3.026 250 HE2 PHE 35 HE2 PHE 35 1.580 2.075 4.450 251 HZ PHE 35 HZ PHE 35 0.768 0.650 2.612 252 H ARG 36 H ARG 36 4.257 -1.403 8.408 253 HA ARG 36 HA ARG 36 5.721 -0.956 6.057 254 HB2 ARG 36 2HB ARG 36 6.599 -0.971 8.949 255 HB3 ARG 36 3HB ARG 36 7.611 -0.422 7.619 256 HG2 ARG 36 2HG ARG 36 4.983 0.837 7.662 257 HG3 ARG 36 3HG ARG 36 5.940 1.146 9.113 258 HD2 ARG 36 2HD ARG 36 6.648 2.859 7.763 259 HD3 ARG 36 3HD ARG 36 7.844 1.624 7.378 260 HE ARG 36 HE ARG 36 5.560 1.566 5.644 261 HH11 ARG 36 1HH1 ARG 36 8.651 3.056 6.232 262 HH12 ARG 36 2HH1 ARG 36 8.899 3.499 4.575 263 HH21 ARG 36 1HH2 ARG 36 5.874 2.145 3.460 264 HH22 ARG 36 2HH2 ARG 36 7.317 2.982 3.000 265 H TRP 37 H TRP 37 6.108 -3.408 8.597 266 HA TRP 37 HA TRP 37 8.403 -4.653 7.696 267 HB2 TRP 37 2HB TRP 37 7.453 -5.280 9.809 268 HB3 TRP 37 3HB TRP 37 5.964 -5.825 9.040 269 HD1 TRP 37 HD1 TRP 37 9.466 -6.963 9.907 270 HE1 TRP 37 HE1 TRP 37 9.720 -9.456 9.313 271 HE3 TRP 37 HE3 TRP 37 5.111 -7.627 7.313 272 HZ2 TRP 37 HZ2 TRP 37 8.265 -11.439 7.928 273 HZ3 TRP 37 HZ3 TRP 37 4.617 -9.852 6.386 274 HH2 TRP 37 HH2 TRP 37 6.164 -11.717 6.688 275 H ALA 38 H ALA 38 5.068 -5.117 6.628 276 HA ALA 38 HA ALA 38 5.607 -7.297 4.894 277 HB1 ALA 38 1HB ALA 38 3.327 -5.420 5.287 278 HB2 ALA 38 2HB ALA 38 3.375 -6.414 3.830 279 HB3 ALA 38 3HB ALA 38 3.379 -7.178 5.418 280 H ILE 39 H ILE 39 5.220 -3.808 4.318 281 HA ILE 39 HA ILE 39 5.569 -3.852 1.545 282 HB ILE 39 HB ILE 39 6.320 -1.659 3.482 283 HG12 ILE 39 2HG1 ILE 39 3.880 -1.477 1.819 284 HG13 ILE 39 3HG1 ILE 39 3.841 -2.688 3.096 285 HG21 ILE 39 1HG2 ILE 39 6.398 -1.860 0.545 286 HG22 ILE 39 2HG2 ILE 39 5.672 -0.391 1.194 287 HG23 ILE 39 3HG2 ILE 39 7.321 -0.830 1.640 288 HD11 ILE 39 1HD1 ILE 39 4.876 -0.348 4.250 289 HD12 ILE 39 2HD1 ILE 39 3.489 0.135 3.274 290 HD13 ILE 39 3HD1 ILE 39 3.303 -1.095 4.524 291 H ARG 40 H ARG 40 7.958 -3.360 4.133 292 HA ARG 40 HA ARG 40 10.201 -2.959 2.534 293 HB2 ARG 40 2HB ARG 40 9.658 -3.458 5.306 294 HB3 ARG 40 3HB ARG 40 11.029 -4.436 4.802 295 HG2 ARG 40 2HG ARG 40 10.939 -1.539 4.095 296 HG3 ARG 40 3HG ARG 40 11.408 -2.040 5.721 297 HD2 ARG 40 2HD ARG 40 12.837 -3.709 4.005 298 HD3 ARG 40 3HD ARG 40 12.918 -2.113 3.260 299 HE ARG 40 HE ARG 40 13.494 -1.728 5.925 300 HH11 ARG 40 1HH1 ARG 40 14.828 -3.569 3.288 301 HH12 ARG 40 2HH1 ARG 40 16.452 -3.500 3.890 302 HH21 ARG 40 1HH2 ARG 40 15.627 -1.631 6.727 303 HH22 ARG 40 2HH2 ARG 40 16.905 -2.398 5.847 304 H MET 41 H MET 41 8.891 -5.990 3.851 305 HA MET 41 HA MET 41 10.872 -7.667 2.735 306 HB2 MET 41 2HB MET 41 9.182 -8.181 4.607 307 HB3 MET 41 3HB MET 41 8.050 -8.541 3.309 308 HG2 MET 41 2HG MET 41 8.946 -10.606 3.906 309 HG3 MET 41 3HG MET 41 9.807 -10.154 2.437 310 HE1 MET 41 1HE MET 41 11.468 -11.542 2.468 311 HE2 MET 41 2HE MET 41 13.018 -11.218 3.245 312 HE3 MET 41 3HE MET 41 11.885 -12.356 3.976 313 H ALA 42 H ALA 42 7.486 -7.155 1.724 314 HA ALA 42 HA ALA 42 7.566 -8.610 -0.633 315 HB1 ALA 42 1HB ALA 42 5.491 -7.790 0.312 316 HB2 ALA 42 2HB ALA 42 5.965 -6.126 -0.031 317 HB3 ALA 42 3HB ALA 42 5.652 -7.245 -1.357 318 H ASN 43 H ASN 43 8.845 -5.454 0.069 319 HA ASN 43 HA ASN 43 9.103 -4.543 -2.606 320 HB2 ASN 43 2HB ASN 43 10.166 -3.719 0.049 321 HB3 ASN 43 3HB ASN 43 11.020 -3.139 -1.378 322 HD21 ASN 43 1HD2 ASN 43 9.808 -1.392 0.333 323 HD22 ASN 43 2HD2 ASN 43 8.440 -0.674 -0.439 324 H VAL 44 H VAL 44 11.607 -5.700 -0.339 325 HA VAL 44 HA VAL 44 13.641 -5.927 -2.258 326 HB VAL 44 HB VAL 44 13.338 -7.465 0.325 327 HG11 VAL 44 1HG1 VAL 44 15.207 -8.526 -0.226 328 HG12 VAL 44 2HG1 VAL 44 15.266 -7.662 -1.764 329 HG13 VAL 44 3HG1 VAL 44 16.043 -6.978 -0.335 330 HG21 VAL 44 1HG2 VAL 44 14.219 -4.714 -0.320 331 HG22 VAL 44 2HG2 VAL 44 13.431 -5.342 1.127 332 HG23 VAL 44 3HG2 VAL 44 15.158 -5.594 0.885 333 H SER 45 H SER 45 11.154 -8.174 -1.207 334 HA SER 45 HA SER 45 12.203 -10.496 -2.419 335 HB2 SER 45 2HB SER 45 10.246 -10.204 -0.705 336 HB3 SER 45 3HB SER 45 9.248 -10.049 -2.150 337 HG SER 45 HG SER 45 11.051 -12.182 -1.987 338 H THR 46 H THR 46 10.483 -7.766 -3.674 339 HA THR 46 HA THR 46 9.948 -9.120 -6.211 340 HB THR 46 HB THR 46 8.766 -7.023 -6.834 341 HG1 THR 46 HG1 THR 46 10.038 -5.682 -5.349 342 HG21 THR 46 1HG2 THR 46 7.210 -7.300 -4.562 343 HG22 THR 46 2HG2 THR 46 8.037 -8.852 -4.693 344 HG23 THR 46 3HG2 THR 46 7.072 -8.250 -6.042 345 H GLY 47 H GLY 47 12.669 -8.302 -5.197 346 HA2 GLY 47 2HA GLY 47 14.596 -7.355 -6.019 347 HA3 GLY 47 3HA GLY 47 13.870 -7.636 -7.595 348 H ARG 48 H ARG 48 12.375 -5.524 -5.262 349 HA ARG 48 HA ARG 48 12.977 -3.252 -7.029 350 HB2 ARG 48 2HB ARG 48 10.713 -3.703 -5.080 351 HB3 ARG 48 3HB ARG 48 10.991 -2.186 -5.926 352 HG2 ARG 48 2HG ARG 48 10.905 -4.473 -7.719 353 HG3 ARG 48 3HG ARG 48 9.417 -4.262 -6.793 354 HD2 ARG 48 2HD ARG 48 9.261 -3.036 -8.866 355 HD3 ARG 48 3HD ARG 48 9.338 -1.905 -7.515 356 HE ARG 48 HE ARG 48 11.277 -1.083 -8.389 357 HH11 ARG 48 1HH1 ARG 48 10.721 -4.255 -9.710 358 HH12 ARG 48 2HH1 ARG 48 12.061 -4.176 -10.806 359 HH21 ARG 48 1HH2 ARG 48 13.044 -0.967 -9.828 360 HH22 ARG 48 2HH2 ARG 48 13.381 -2.306 -10.871 361 H GLU 49 H GLU 49 13.617 -1.260 -6.159 362 HA GLU 49 HA GLU 49 15.489 -1.303 -4.132 363 HB2 GLU 49 2HB GLU 49 13.959 0.851 -5.505 364 HB3 GLU 49 3HB GLU 49 14.823 1.280 -4.036 365 HG2 GLU 49 2HG GLU 49 16.873 0.259 -5.085 366 HG3 GLU 49 3HG GLU 49 15.956 0.177 -6.588 367 HA PRO 50 HA PRO 50 13.404 -1.148 -0.276 368 HB2 PRO 50 2HB PRO 50 14.917 0.606 1.141 369 HB3 PRO 50 3HB PRO 50 15.467 -1.023 0.728 370 HG2 PRO 50 2HG PRO 50 16.101 1.584 -0.600 371 HG3 PRO 50 3HG PRO 50 17.183 0.235 -0.210 372 HD2 PRO 50 2HD PRO 50 16.190 0.634 -2.698 373 HD3 PRO 50 3HD PRO 50 16.532 -0.986 -2.054 374 H GLY 51 H GLY 51 13.902 1.841 -2.000 375 HA2 GLY 51 2HA GLY 51 12.088 3.333 -0.286 376 HA3 GLY 51 3HA GLY 51 12.928 3.947 -1.703 377 H ASP 52 H ASP 52 10.699 1.210 -1.240 378 HA ASP 52 HA ASP 52 9.163 2.170 -3.542 379 HB2 ASP 52 2HB ASP 52 9.845 -0.438 -2.485 380 HB3 ASP 52 3HB ASP 52 8.103 -0.284 -2.702 381 H ILE 53 H ILE 53 7.619 3.571 -2.984 382 HA ILE 53 HA ILE 53 5.675 2.738 -0.964 383 HB ILE 53 HB ILE 53 6.773 5.546 -1.008 384 HG12 ILE 53 2HG1 ILE 53 7.365 3.321 0.956 385 HG13 ILE 53 3HG1 ILE 53 8.491 3.942 -0.245 386 HG21 ILE 53 1HG2 ILE 53 5.554 4.908 1.441 387 HG22 ILE 53 2HG2 ILE 53 4.969 6.011 0.197 388 HG23 ILE 53 3HG2 ILE 53 4.474 4.318 0.177 389 HD11 ILE 53 1HD1 ILE 53 7.462 5.267 2.228 390 HD12 ILE 53 2HD1 ILE 53 9.128 4.993 1.718 391 HD13 ILE 53 3HD1 ILE 53 8.144 6.208 0.902 392 HA PRO 54 HA PRO 54 3.756 4.335 -4.881 393 HB2 PRO 54 2HB PRO 54 2.000 2.280 -5.131 394 HB3 PRO 54 3HB PRO 54 3.646 2.222 -5.774 395 HG2 PRO 54 2HG PRO 54 2.562 1.063 -3.236 396 HG3 PRO 54 3HG PRO 54 3.676 0.339 -4.409 397 HD2 PRO 54 2HD PRO 54 4.521 1.439 -2.083 398 HD3 PRO 54 3HD PRO 54 5.499 1.470 -3.565 399 H GLU 55 H GLU 55 1.384 4.726 -5.279 400 HA GLU 55 HA GLU 55 -0.252 4.810 -2.866 401 HB2 GLU 55 2HB GLU 55 0.630 7.240 -4.413 402 HB3 GLU 55 3HB GLU 55 -0.821 7.242 -3.419 403 HG2 GLU 55 2HG GLU 55 0.471 7.847 -1.727 404 HG3 GLU 55 3HG GLU 55 1.125 6.209 -1.749 405 H THR 56 H THR 56 -0.544 3.196 -5.115 406 HA THR 56 HA THR 56 -3.137 4.129 -6.080 407 HB THR 56 HB THR 56 -2.700 3.724 -8.383 408 HG1 THR 56 HG1 THR 56 -0.674 2.916 -9.084 409 HG21 THR 56 1HG2 THR 56 -1.178 5.444 -8.915 410 HG22 THR 56 2HG2 THR 56 -0.221 5.159 -7.461 411 HG23 THR 56 3HG2 THR 56 -1.825 5.880 -7.334 412 H LEU 57 H LEU 57 -4.607 2.522 -6.318 413 HA LEU 57 HA LEU 57 -4.256 0.067 -5.092 414 HB2 LEU 57 2HB LEU 57 -6.438 1.059 -5.544 415 HB3 LEU 57 3HB LEU 57 -6.208 0.795 -7.272 416 HG LEU 57 HG LEU 57 -6.099 -1.690 -6.708 417 HD11 LEU 57 1HD1 LEU 57 -6.146 -2.286 -4.575 418 HD12 LEU 57 2HD1 LEU 57 -7.767 -1.607 -4.441 419 HD13 LEU 57 3HD1 LEU 57 -6.360 -0.607 -4.079 420 HD21 LEU 57 1HD2 LEU 57 -7.998 -0.928 -7.848 421 HD22 LEU 57 2HD2 LEU 57 -8.576 -0.012 -6.457 422 HD23 LEU 57 3HD2 LEU 57 -8.637 -1.776 -6.440 423 H ASP 58 H ASP 58 -3.628 1.016 -8.393 424 HA ASP 58 HA ASP 58 -3.403 -1.586 -9.493 425 HB2 ASP 58 2HB ASP 58 -1.888 0.804 -10.515 426 HB3 ASP 58 3HB ASP 58 -2.558 -0.546 -11.427 427 H GLN 59 H GLN 59 -1.072 0.634 -8.035 428 HA GLN 59 HA GLN 59 1.238 -0.884 -8.597 429 HB2 GLN 59 2HB GLN 59 0.545 1.439 -6.963 430 HB3 GLN 59 3HB GLN 59 1.822 0.458 -6.258 431 HG2 GLN 59 2HG GLN 59 3.261 1.474 -7.587 432 HG3 GLN 59 3HG GLN 59 2.473 0.704 -8.963 433 HE21 GLN 59 1HE2 GLN 59 2.727 3.599 -7.050 434 HE22 GLN 59 2HE2 GLN 59 1.938 4.651 -8.171 435 H LEU 60 H LEU 60 -0.998 -0.870 -5.864 436 HA LEU 60 HA LEU 60 0.486 -2.672 -4.252 437 HB2 LEU 60 2HB LEU 60 -2.276 -1.581 -4.255 438 HB3 LEU 60 3HB LEU 60 -1.965 -3.030 -3.301 439 HG LEU 60 HG LEU 60 -1.839 -1.030 -1.924 440 HD11 LEU 60 1HD1 LEU 60 -0.387 -2.272 -0.793 441 HD12 LEU 60 2HD1 LEU 60 0.900 -1.402 -1.626 442 HD13 LEU 60 3HD1 LEU 60 0.305 -2.930 -2.276 443 HD21 LEU 60 1HD2 LEU 60 -0.665 0.833 -2.423 444 HD22 LEU 60 2HD2 LEU 60 -0.863 0.248 -4.075 445 HD23 LEU 60 3HD2 LEU 60 0.639 -0.063 -3.202 446 H ARG 61 H ARG 61 -2.526 -3.189 -6.098 447 HA ARG 61 HA ARG 61 -2.666 -5.943 -5.800 448 HB2 ARG 61 2HB ARG 61 -4.208 -5.950 -7.615 449 HB3 ARG 61 3HB ARG 61 -4.432 -4.428 -6.763 450 HG2 ARG 61 2HG ARG 61 -3.004 -3.327 -8.471 451 HG3 ARG 61 3HG ARG 61 -2.965 -4.854 -9.355 452 HD2 ARG 61 2HD ARG 61 -5.576 -4.675 -9.139 453 HD3 ARG 61 3HD ARG 61 -5.227 -2.960 -8.923 454 HE ARG 61 HE ARG 61 -4.669 -2.821 -11.144 455 HH11 ARG 61 1HH1 ARG 61 -4.865 -6.168 -10.203 456 HH12 ARG 61 2HH1 ARG 61 -4.740 -6.765 -11.824 457 HH21 ARG 61 1HH2 ARG 61 -4.503 -3.597 -13.282 458 HH22 ARG 61 2HH2 ARG 61 -4.532 -5.302 -13.574 459 H LEU 62 H LEU 62 -0.631 -4.031 -7.858 460 HA LEU 62 HA LEU 62 0.072 -6.099 -9.688 461 HB2 LEU 62 2HB LEU 62 1.027 -3.369 -9.054 462 HB3 LEU 62 3HB LEU 62 2.166 -4.443 -9.864 463 HG LEU 62 HG LEU 62 -0.588 -3.918 -10.954 464 HD11 LEU 62 1HD1 LEU 62 0.111 -2.064 -12.109 465 HD12 LEU 62 2HD1 LEU 62 1.817 -2.492 -11.987 466 HD13 LEU 62 3HD1 LEU 62 0.968 -1.847 -10.583 467 HD21 LEU 62 1HD2 LEU 62 1.768 -5.438 -11.759 468 HD22 LEU 62 2HD2 LEU 62 1.164 -4.360 -13.017 469 HD23 LEU 62 3HD2 LEU 62 0.095 -5.566 -12.300 470 H VAL 63 H VAL 63 1.949 -4.565 -7.066 471 HA VAL 63 HA VAL 63 4.113 -6.285 -7.072 472 HB VAL 63 HB VAL 63 2.874 -4.948 -4.661 473 HG11 VAL 63 1HG1 VAL 63 5.437 -6.403 -5.099 474 HG12 VAL 63 2HG1 VAL 63 5.411 -5.025 -3.998 475 HG13 VAL 63 3HG1 VAL 63 4.361 -6.411 -3.703 476 HG21 VAL 63 1HG2 VAL 63 3.579 -3.020 -5.505 477 HG22 VAL 63 2HG2 VAL 63 5.224 -3.650 -5.594 478 HG23 VAL 63 3HG2 VAL 63 4.126 -3.853 -6.960 479 H ILE 64 H ILE 64 0.934 -6.722 -5.669 480 HA ILE 64 HA ILE 64 1.535 -8.942 -4.029 481 HB ILE 64 HB ILE 64 -1.083 -8.187 -5.332 482 HG12 ILE 64 2HG1 ILE 64 -0.424 -7.769 -2.442 483 HG13 ILE 64 3HG1 ILE 64 0.185 -6.624 -3.632 484 HG21 ILE 64 1HG2 ILE 64 -1.477 -9.582 -2.912 485 HG22 ILE 64 2HG2 ILE 64 -1.903 -10.092 -4.545 486 HG23 ILE 64 3HG2 ILE 64 -0.330 -10.519 -3.871 487 HD11 ILE 64 1HD1 ILE 64 -2.588 -7.103 -4.110 488 HD12 ILE 64 2HD1 ILE 64 -2.339 -6.679 -2.416 489 HD13 ILE 64 3HD1 ILE 64 -1.769 -5.599 -3.688 490 H CYS 65 H CYS 65 -0.061 -8.833 -7.221 491 HA CYS 65 HA CYS 65 -0.175 -11.571 -7.663 492 HB2 CYS 65 2HB CYS 65 -1.352 -9.913 -9.051 493 HB3 CYS 65 3HB CYS 65 0.185 -9.380 -9.718 494 HG CYS 65 HG CYS 65 -1.364 -12.381 -10.232 495 H ASP 66 H ASP 66 2.502 -9.376 -7.921 496 HA ASP 66 HA ASP 66 4.160 -11.121 -9.483 497 HB2 ASP 66 2HB ASP 66 5.056 -8.804 -7.764 498 HB3 ASP 66 3HB ASP 66 5.899 -9.506 -9.142 499 H LEU 67 H LEU 67 4.630 -9.899 -6.165 500 HA LEU 67 HA LEU 67 6.533 -11.742 -5.377 501 HB2 LEU 67 2HB LEU 67 6.042 -9.781 -4.069 502 HB3 LEU 67 3HB LEU 67 4.413 -10.365 -3.738 503 HG LEU 67 HG LEU 67 5.336 -12.179 -2.382 504 HD11 LEU 67 1HD1 LEU 67 7.410 -12.707 -3.260 505 HD12 LEU 67 2HD1 LEU 67 7.828 -11.869 -1.766 506 HD13 LEU 67 3HD1 LEU 67 7.933 -11.023 -3.309 507 HD21 LEU 67 1HD2 LEU 67 6.443 -10.657 -0.620 508 HD22 LEU 67 2HD2 LEU 67 4.772 -10.335 -1.086 509 HD23 LEU 67 3HD2 LEU 67 6.078 -9.349 -1.746 510 H GLN 68 H GLN 68 3.012 -11.992 -5.249 511 HA GLN 68 HA GLN 68 2.886 -14.415 -3.817 512 HB2 GLN 68 2HB GLN 68 0.988 -12.797 -4.251 513 HB3 GLN 68 3HB GLN 68 0.886 -13.474 -5.871 514 HG2 GLN 68 2HG GLN 68 0.722 -15.236 -3.461 515 HG3 GLN 68 3HG GLN 68 -0.691 -14.359 -4.046 516 HE21 GLN 68 1HE2 GLN 68 -0.459 -17.164 -3.924 517 HE22 GLN 68 2HE2 GLN 68 -0.527 -17.777 -5.538 518 H GLU 69 H GLU 69 2.544 -13.821 -7.319 519 HA GLU 69 HA GLU 69 2.426 -16.489 -8.112 520 HB2 GLU 69 2HB GLU 69 1.884 -14.584 -9.581 521 HB3 GLU 69 3HB GLU 69 3.588 -14.156 -9.644 522 HG2 GLU 69 2HG GLU 69 2.903 -15.340 -11.648 523 HG3 GLU 69 3HG GLU 69 4.095 -16.266 -10.737 524 H ARG 70 H ARG 70 5.124 -14.547 -7.139 525 HA ARG 70 HA ARG 70 7.165 -16.152 -8.314 526 HB2 ARG 70 2HB ARG 70 7.154 -14.073 -6.137 527 HB3 ARG 70 3HB ARG 70 8.616 -14.949 -6.570 528 HG2 ARG 70 2HG ARG 70 7.436 -13.963 -8.957 529 HG3 ARG 70 3HG ARG 70 7.513 -12.646 -7.785 530 HD2 ARG 70 2HD ARG 70 9.855 -12.895 -7.524 531 HD3 ARG 70 3HD ARG 70 9.857 -14.433 -8.385 532 HE ARG 70 HE ARG 70 8.903 -12.594 -10.186 533 HH11 ARG 70 1HH1 ARG 70 11.801 -12.978 -8.294 534 HH12 ARG 70 2HH1 ARG 70 12.814 -12.171 -9.445 535 HH21 ARG 70 1HH2 ARG 70 10.226 -11.530 -11.708 536 HH22 ARG 70 2HH2 ARG 70 11.918 -11.347 -11.386 537 H ARG 71 H ARG 71 6.311 -15.717 -4.874 538 HA ARG 71 HA ARG 71 7.739 -17.976 -3.990 539 HB2 ARG 71 2HB ARG 71 7.142 -16.183 -2.466 540 HB3 ARG 71 3HB ARG 71 5.430 -16.500 -2.715 541 HG2 ARG 71 2HG ARG 71 6.336 -17.373 -0.573 542 HG3 ARG 71 3HG ARG 71 5.580 -18.600 -1.593 543 HD2 ARG 71 2HD ARG 71 7.713 -19.340 -0.564 544 HD3 ARG 71 3HD ARG 71 7.725 -19.390 -2.327 545 HE ARG 71 HE ARG 71 8.793 -16.980 -1.819 546 HH11 ARG 71 1HH1 ARG 71 9.475 -20.150 -0.554 547 HH12 ARG 71 2HH1 ARG 71 11.152 -19.820 -0.273 548 HH21 ARG 71 1HH2 ARG 71 10.999 -16.532 -1.453 549 HH22 ARG 71 2HH2 ARG 71 12.018 -17.761 -0.783 550 H GLU 72 H GLU 72 4.646 -17.641 -5.455 551 HA GLU 72 HA GLU 72 3.454 -20.019 -4.451 552 HB2 GLU 72 2HB GLU 72 2.054 -18.289 -5.377 553 HB3 GLU 72 3HB GLU 72 2.887 -18.378 -6.923 554 HG2 GLU 72 2HG GLU 72 2.045 -20.678 -7.209 555 HG3 GLU 72 3HG GLU 72 1.147 -20.509 -5.700 556 H LYS 73 H LYS 73 4.693 -19.307 -7.723 557 HA LYS 73 HA LYS 73 4.699 -21.980 -8.587 558 HB2 LYS 73 2HB LYS 73 4.897 -19.763 -9.936 559 HB3 LYS 73 3HB LYS 73 6.625 -19.939 -9.657 560 HG2 LYS 73 2HG LYS 73 6.151 -22.374 -10.583 561 HG3 LYS 73 3HG LYS 73 4.799 -21.542 -11.355 562 HD2 LYS 73 2HD LYS 73 6.744 -19.805 -11.936 563 HD3 LYS 73 3HD LYS 73 7.716 -21.273 -11.813 564 HE2 LYS 73 2HE LYS 73 7.141 -21.612 -13.949 565 HE3 LYS 73 3HE LYS 73 5.582 -22.117 -13.300 566 HZ1 LYS 73 1HZ LYS 73 5.779 -20.261 -15.132 567 HZ2 LYS 73 2HZ LYS 73 5.998 -19.263 -13.785 568 HZ3 LYS 73 3HZ LYS 73 4.590 -20.189 -13.930 569 H PHE 74 H PHE 74 6.921 -20.188 -6.645 570 HA PHE 74 HA PHE 74 9.101 -22.059 -7.039 571 HB2 PHE 74 2HB PHE 74 9.356 -19.540 -6.628 572 HB3 PHE 74 3HB PHE 74 8.975 -19.895 -4.945 573 HD1 PHE 74 HD1 PHE 74 11.380 -20.565 -7.667 574 HD2 PHE 74 HD2 PHE 74 10.598 -20.779 -3.488 575 HE1 PHE 74 HE1 PHE 74 13.742 -21.118 -7.256 576 HE2 PHE 74 HE2 PHE 74 12.958 -21.332 -3.071 577 HZ PHE 74 HZ PHE 74 14.534 -21.502 -4.955 578 H GLY 75 H GLY 75 6.444 -21.592 -4.889 579 HA2 GLY 75 2HA GLY 75 6.249 -23.980 -3.740 580 HA3 GLY 75 3HA GLY 75 7.585 -23.302 -2.823 581 H SER 76 H SER 76 7.142 -22.052 -1.112 582 HA SER 76 HA SER 76 4.950 -20.337 -0.836 583 HB2 SER 76 2HB SER 76 3.887 -21.856 1.078 584 HB3 SER 76 3HB SER 76 3.358 -21.979 -0.600 585 HG SER 76 HG SER 76 5.426 -23.584 0.477 586 H SER 77 H SER 77 5.467 -18.920 0.700 587 HA SER 77 HA SER 77 7.217 -19.804 2.897 588 HB2 SER 77 2HB SER 77 8.815 -18.551 1.890 589 HB3 SER 77 3HB SER 77 7.644 -17.674 0.907 590 HG SER 77 HG SER 77 8.796 -16.978 3.277 591 H LYS 78 H LYS 78 6.571 -19.237 4.879 592 HA LYS 78 HA LYS 78 4.040 -18.179 5.376 593 HB2 LYS 78 2HB LYS 78 6.363 -18.979 6.955 594 HB3 LYS 78 3HB LYS 78 5.463 -17.660 7.692 595 HG2 LYS 78 2HG LYS 78 3.487 -19.416 6.922 596 HG3 LYS 78 3HG LYS 78 4.793 -20.475 7.458 597 HD2 LYS 78 2HD LYS 78 4.820 -18.632 9.430 598 HD3 LYS 78 3HD LYS 78 3.109 -18.606 8.997 599 HE2 LYS 78 2HE LYS 78 3.047 -20.299 10.508 600 HE3 LYS 78 3HE LYS 78 3.464 -21.244 9.080 601 HZ1 LYS 78 1HZ LYS 78 4.888 -21.843 10.902 602 HZ2 LYS 78 2HZ LYS 78 5.355 -20.234 11.135 603 HZ3 LYS 78 3HZ LYS 78 5.810 -21.050 9.725 604 H GLU 79 H GLU 79 7.189 -16.601 5.966 605 HA GLU 79 HA GLU 79 6.259 -14.103 6.679 606 HB2 GLU 79 2HB GLU 79 8.745 -14.698 5.063 607 HB3 GLU 79 3HB GLU 79 8.441 -13.236 5.991 608 HG2 GLU 79 2HG GLU 79 9.048 -14.186 7.915 609 HG3 GLU 79 3HG GLU 79 8.193 -15.684 7.556 610 H ILE 80 H ILE 80 7.427 -14.978 3.421 611 HA ILE 80 HA ILE 80 6.652 -12.688 2.094 612 HB ILE 80 HB ILE 80 6.662 -15.510 1.017 613 HG12 ILE 80 2HG1 ILE 80 8.771 -13.348 0.859 614 HG13 ILE 80 3HG1 ILE 80 8.814 -14.705 1.979 615 HG21 ILE 80 1HG2 ILE 80 5.785 -14.653 -0.836 616 HG22 ILE 80 2HG2 ILE 80 5.872 -13.016 -0.187 617 HG23 ILE 80 3HG2 ILE 80 7.262 -13.708 -1.026 618 HD11 ILE 80 1HD1 ILE 80 8.626 -15.167 -0.966 619 HD12 ILE 80 2HD1 ILE 80 10.177 -14.838 -0.193 620 HD13 ILE 80 3HD1 ILE 80 9.227 -16.240 0.298 621 H ASP 81 H ASP 81 4.729 -15.528 2.899 622 HA ASP 81 HA ASP 81 2.450 -14.899 1.377 623 HB2 ASP 81 2HB ASP 81 3.018 -16.650 3.722 624 HB3 ASP 81 3HB ASP 81 1.335 -16.281 3.360 625 H MET 82 H MET 82 3.336 -14.096 4.714 626 HA MET 82 HA MET 82 0.926 -12.790 5.378 627 HB2 MET 82 2HB MET 82 3.340 -13.408 6.671 628 HB3 MET 82 3HB MET 82 3.195 -11.657 6.758 629 HG2 MET 82 2HG MET 82 1.296 -11.738 8.042 630 HG3 MET 82 3HG MET 82 0.849 -13.344 7.470 631 HE1 MET 82 1HE MET 82 3.338 -12.013 10.914 632 HE2 MET 82 2HE MET 82 2.271 -11.141 9.812 633 HE3 MET 82 3HE MET 82 1.588 -12.169 11.073 634 H ALA 83 H ALA 83 4.031 -11.557 4.175 635 HA ALA 83 HA ALA 83 3.487 -8.840 4.231 636 HB1 ALA 83 1HB ALA 83 4.972 -9.752 1.865 637 HB2 ALA 83 2HB ALA 83 5.433 -8.610 3.128 638 HB3 ALA 83 3HB ALA 83 5.584 -10.344 3.409 639 H ILE 84 H ILE 84 2.703 -11.223 1.731 640 HA ILE 84 HA ILE 84 1.673 -9.421 -0.167 641 HB ILE 84 HB ILE 84 0.936 -12.315 0.281 642 HG12 ILE 84 2HG1 ILE 84 2.745 -11.329 -1.890 643 HG13 ILE 84 3HG1 ILE 84 3.390 -11.522 -0.263 644 HG21 ILE 84 1HG2 ILE 84 0.684 -11.558 -2.428 645 HG22 ILE 84 2HG2 ILE 84 -0.584 -12.066 -1.313 646 HG23 ILE 84 3HG2 ILE 84 -0.176 -10.356 -1.465 647 HD11 ILE 84 1HD1 ILE 84 3.734 -13.472 -1.773 648 HD12 ILE 84 2HD1 ILE 84 2.896 -13.847 -0.268 649 HD13 ILE 84 3HD1 ILE 84 1.987 -13.709 -1.772 650 H VAL 85 H VAL 85 -0.053 -11.479 2.182 651 HA VAL 85 HA VAL 85 -2.621 -10.518 1.661 652 HB VAL 85 HB VAL 85 -1.629 -11.468 4.348 653 HG11 VAL 85 1HG1 VAL 85 -4.360 -11.623 3.077 654 HG12 VAL 85 2HG1 VAL 85 -3.920 -12.180 4.693 655 HG13 VAL 85 3HG1 VAL 85 -3.877 -10.459 4.310 656 HG21 VAL 85 1HG2 VAL 85 -1.155 -13.415 3.383 657 HG22 VAL 85 2HG2 VAL 85 -2.873 -13.587 3.025 658 HG23 VAL 85 3HG2 VAL 85 -1.791 -12.868 1.832 659 H THR 86 H THR 86 -0.004 -9.112 3.426 660 HA THR 86 HA THR 86 -1.529 -7.315 5.021 661 HB THR 86 HB THR 86 1.358 -7.144 4.139 662 HG1 THR 86 HG1 THR 86 1.514 -7.793 6.502 663 HG21 THR 86 1HG2 THR 86 1.082 -5.007 4.860 664 HG22 THR 86 2HG2 THR 86 1.280 -5.768 6.439 665 HG23 THR 86 3HG2 THR 86 -0.335 -5.404 5.831 666 H LEU 87 H LEU 87 0.362 -6.842 2.034 667 HA LEU 87 HA LEU 87 -0.417 -4.155 1.656 668 HB2 LEU 87 2HB LEU 87 0.403 -6.079 -0.506 669 HB3 LEU 87 3HB LEU 87 0.564 -4.324 -0.506 670 HG LEU 87 HG LEU 87 2.041 -6.015 1.484 671 HD11 LEU 87 1HD1 LEU 87 2.359 -6.231 -1.287 672 HD12 LEU 87 2HD1 LEU 87 3.450 -6.811 -0.029 673 HD13 LEU 87 3HD1 LEU 87 3.683 -5.209 -0.728 674 HD21 LEU 87 1HD2 LEU 87 3.354 -4.145 1.816 675 HD22 LEU 87 2HD2 LEU 87 1.763 -3.432 1.546 676 HD23 LEU 87 3HD2 LEU 87 2.953 -3.453 0.244 677 H LYS 88 H LYS 88 -1.974 -7.156 0.983 678 HA LYS 88 HA LYS 88 -3.746 -6.228 -1.045 679 HB2 LYS 88 2HB LYS 88 -3.613 -8.639 0.721 680 HB3 LYS 88 3HB LYS 88 -5.095 -8.309 -0.167 681 HG2 LYS 88 2HG LYS 88 -3.648 -8.183 -2.247 682 HG3 LYS 88 3HG LYS 88 -2.359 -8.879 -1.261 683 HD2 LYS 88 2HD LYS 88 -5.052 -10.183 -1.364 684 HD3 LYS 88 3HD LYS 88 -3.887 -10.445 -2.664 685 HE2 LYS 88 2HE LYS 88 -2.353 -10.827 -0.436 686 HE3 LYS 88 3HE LYS 88 -3.914 -11.462 0.084 687 HZ1 LYS 88 1HZ LYS 88 -3.913 -12.807 -1.998 688 HZ2 LYS 88 2HZ LYS 88 -2.706 -13.233 -0.892 689 HZ3 LYS 88 3HZ LYS 88 -2.314 -12.320 -2.261 690 H VAL 89 H VAL 89 -4.435 -7.135 2.339 691 HA VAL 89 HA VAL 89 -6.993 -6.090 2.487 692 HB VAL 89 HB VAL 89 -6.130 -7.509 4.243 693 HG11 VAL 89 1HG1 VAL 89 -4.381 -5.234 5.149 694 HG12 VAL 89 2HG1 VAL 89 -4.406 -6.894 5.745 695 HG13 VAL 89 3HG1 VAL 89 -3.798 -6.546 4.126 696 HG21 VAL 89 1HG2 VAL 89 -6.471 -5.193 5.951 697 HG22 VAL 89 2HG2 VAL 89 -7.648 -5.220 4.638 698 HG23 VAL 89 3HG2 VAL 89 -7.517 -6.597 5.733 699 H PHE 90 H PHE 90 -3.893 -4.485 3.028 700 HA PHE 90 HA PHE 90 -4.956 -2.036 3.961 701 HB2 PHE 90 2HB PHE 90 -2.667 -2.464 4.423 702 HB3 PHE 90 3HB PHE 90 -2.309 -2.782 2.728 703 HD1 PHE 90 HD1 PHE 90 -2.022 -0.967 1.152 704 HD2 PHE 90 HD2 PHE 90 -2.853 -0.211 5.257 705 HE1 PHE 90 HE1 PHE 90 -1.346 1.380 0.853 706 HE2 PHE 90 HE2 PHE 90 -2.180 2.138 4.965 707 HZ PHE 90 HZ PHE 90 -1.427 2.937 2.760 708 H ALA 91 H ALA 91 -4.089 -3.215 0.748 709 HA ALA 91 HA ALA 91 -4.361 -0.831 -0.678 710 HB1 ALA 91 1HB ALA 91 -5.102 -2.569 -2.546 711 HB2 ALA 91 2HB ALA 91 -3.432 -2.436 -1.993 712 HB3 ALA 91 3HB ALA 91 -4.470 -3.714 -1.362 713 H VAL 92 H VAL 92 -6.783 -3.356 -0.022 714 HA VAL 92 HA VAL 92 -8.902 -1.923 -1.298 715 HB VAL 92 HB VAL 92 -10.386 -3.618 -0.277 716 HG11 VAL 92 1HG1 VAL 92 -8.029 -4.258 -1.930 717 HG12 VAL 92 2HG1 VAL 92 -8.894 -5.635 -1.248 718 HG13 VAL 92 3HG1 VAL 92 -9.746 -4.475 -2.266 719 HG21 VAL 92 1HG2 VAL 92 -9.386 -4.025 1.828 720 HG22 VAL 92 2HG2 VAL 92 -9.238 -5.529 0.919 721 HG23 VAL 92 3HG2 VAL 92 -7.843 -4.462 1.093 722 H ALA 93 H ALA 93 -7.876 -2.402 2.055 723 HA ALA 93 HA ALA 93 -10.055 -1.006 3.225 724 HB1 ALA 93 1HB ALA 93 -8.709 -2.613 4.480 725 HB2 ALA 93 2HB ALA 93 -7.310 -1.547 4.352 726 HB3 ALA 93 3HB ALA 93 -8.727 -1.037 5.270 727 H GLY 94 H GLY 94 -7.411 0.065 1.438 728 HA2 GLY 94 2HA GLY 94 -7.544 2.745 2.671 729 HA3 GLY 94 3HA GLY 94 -6.161 2.129 1.776 730 H LEU 95 H LEU 95 -6.743 1.470 -0.559 731 HA LEU 95 HA LEU 95 -7.589 3.782 -1.919 732 HB2 LEU 95 2HB LEU 95 -7.164 0.948 -2.831 733 HB3 LEU 95 3HB LEU 95 -7.598 2.252 -3.935 734 HG LEU 95 HG LEU 95 -5.266 1.974 -4.133 735 HD11 LEU 95 1HD1 LEU 95 -4.443 4.098 -3.595 736 HD12 LEU 95 2HD1 LEU 95 -5.473 4.234 -2.171 737 HD13 LEU 95 3HD1 LEU 95 -6.181 4.327 -3.783 738 HD21 LEU 95 1HD2 LEU 95 -4.991 2.190 -1.142 739 HD22 LEU 95 2HD2 LEU 95 -3.731 1.811 -2.316 740 HD23 LEU 95 3HD2 LEU 95 -5.033 0.658 -2.016 741 H LEU 96 H LEU 96 -9.314 1.020 -0.749 742 HA LEU 96 HA LEU 96 -11.743 1.946 -2.134 743 HB2 LEU 96 2HB LEU 96 -10.635 -0.553 -2.172 744 HB3 LEU 96 3HB LEU 96 -11.832 -0.701 -0.887 745 HG LEU 96 HG LEU 96 -12.899 0.549 -3.295 746 HD11 LEU 96 1HD1 LEU 96 -12.112 -2.344 -3.519 747 HD12 LEU 96 2HD1 LEU 96 -11.168 -1.035 -4.229 748 HD13 LEU 96 3HD1 LEU 96 -12.831 -1.307 -4.751 749 HD21 LEU 96 1HD2 LEU 96 -14.674 -1.075 -2.920 750 HD22 LEU 96 2HD2 LEU 96 -14.255 -0.247 -1.420 751 HD23 LEU 96 3HD2 LEU 96 -13.686 -1.892 -1.709 752 H ASN 97 H ASN 97 -10.235 2.199 0.725 753 HA ASN 97 HA ASN 97 -10.854 2.573 2.887 754 HB2 ASN 97 2HB ASN 97 -12.377 4.165 1.256 755 HB3 ASN 97 3HB ASN 97 -13.609 3.359 2.223 756 HD21 ASN 97 1HD2 ASN 97 -10.661 5.270 2.405 757 HD22 ASN 97 2HD2 ASN 97 -11.001 5.983 3.942 758 H MET 98 H MET 98 -11.374 -0.090 1.812 759 HA MET 98 HA MET 98 -13.875 -1.061 2.708 760 HB2 MET 98 2HB MET 98 -11.713 -2.099 1.312 761 HB3 MET 98 3HB MET 98 -11.720 -3.021 2.810 762 HG2 MET 98 2HG MET 98 -14.110 -3.546 2.411 763 HG3 MET 98 3HG MET 98 -13.984 -2.737 0.851 764 HE1 MET 98 1HE MET 98 -14.405 -6.460 0.140 765 HE2 MET 98 2HE MET 98 -14.122 -6.545 1.879 766 HE3 MET 98 3HE MET 98 -15.146 -5.271 1.213 767 H THR 99 H THR 99 -14.395 -2.266 4.564 768 HA THR 99 HA THR 99 -12.710 -1.627 6.888 769 HB THR 99 HB THR 99 -14.963 -0.732 7.054 770 HG1 THR 99 HG1 THR 99 -14.859 -2.997 8.764 771 HG21 THR 99 1HG2 THR 99 -16.768 -1.811 6.316 772 HG22 THR 99 2HG2 THR 99 -16.437 -3.184 7.374 773 HG23 THR 99 3HG2 THR 99 -15.708 -3.110 5.770 774 H VAL 100 H VAL 100 -11.702 -3.694 5.529 775 HA VAL 100 HA VAL 100 -12.651 -6.251 5.930 776 HB VAL 100 HB VAL 100 -9.766 -5.358 6.029 777 HG11 VAL 100 1HG1 VAL 100 -9.263 -7.669 5.333 778 HG12 VAL 100 2HG1 VAL 100 -10.010 -7.593 6.930 779 HG13 VAL 100 3HG1 VAL 100 -10.967 -8.080 5.530 780 HG21 VAL 100 1HG2 VAL 100 -9.681 -5.612 3.708 781 HG22 VAL 100 2HG2 VAL 100 -11.195 -6.513 3.657 782 HG23 VAL 100 3HG2 VAL 100 -11.211 -4.781 3.987 783 H SER 101 H SER 101 -12.476 -7.792 7.532 784 HA SER 101 HA SER 101 -11.968 -6.730 10.215 785 HB2 SER 101 2HB SER 101 -13.353 -9.289 9.376 786 HB3 SER 101 3HB SER 101 -13.231 -8.674 11.024 787 HG SER 101 HG SER 101 -15.056 -8.093 9.191 788 H THR 102 H THR 102 -10.846 -9.098 7.927 789 HA THR 102 HA THR 102 -8.549 -9.640 9.646 790 HB THR 102 HB THR 102 -8.678 -12.013 9.481 791 HG1 THR 102 HG1 THR 102 -9.889 -13.016 8.032 792 HG21 THR 102 1HG2 THR 102 -10.076 -10.993 11.241 793 HG22 THR 102 2HG2 THR 102 -10.737 -12.526 10.670 794 HG23 THR 102 3HG2 THR 102 -11.450 -11.004 10.134 795 H ALA 103 H ALA 103 -6.675 -10.033 8.541 796 HA ALA 103 HA ALA 103 -6.336 -9.080 5.978 797 HB1 ALA 103 1HB ALA 103 -4.616 -9.734 7.845 798 HB2 ALA 103 2HB ALA 103 -4.528 -11.244 6.939 799 HB3 ALA 103 3HB ALA 103 -4.139 -9.718 6.147 800 H ALA 104 H ALA 104 -7.130 -12.336 7.028 801 HA ALA 104 HA ALA 104 -6.671 -13.679 4.601 802 HB1 ALA 104 1HB ALA 104 -6.962 -15.202 6.251 803 HB2 ALA 104 2HB ALA 104 -8.182 -14.236 7.082 804 HB3 ALA 104 3HB ALA 104 -8.621 -15.171 5.653 805 H ALA 105 H ALA 105 -9.717 -12.407 5.956 806 HA ALA 105 HA ALA 105 -11.390 -13.019 3.834 807 HB1 ALA 105 1HB ALA 105 -11.629 -10.517 5.490 808 HB2 ALA 105 2HB ALA 105 -12.921 -11.441 4.723 809 HB3 ALA 105 3HB ALA 105 -12.046 -12.121 6.094 810 H ALA 106 H ALA 106 -9.270 -10.231 4.282 811 HA ALA 106 HA ALA 106 -10.157 -8.698 2.107 812 HB1 ALA 106 1HB ALA 106 -7.996 -8.624 3.993 813 HB2 ALA 106 2HB ALA 106 -7.404 -8.232 2.377 814 HB3 ALA 106 3HB ALA 106 -8.729 -7.305 3.080 815 H GLU 107 H GLU 107 -7.532 -11.090 2.325 816 HA GLU 107 HA GLU 107 -6.579 -10.880 -0.280 817 HB2 GLU 107 2HB GLU 107 -5.329 -12.133 1.326 818 HB3 GLU 107 3HB GLU 107 -6.672 -13.232 1.605 819 HG2 GLU 107 2HG GLU 107 -5.657 -13.088 -1.159 820 HG3 GLU 107 3HG GLU 107 -4.584 -13.811 0.039 821 H ASN 108 H ASN 108 -9.185 -12.898 1.020 822 HA ASN 108 HA ASN 108 -9.757 -14.362 -1.286 823 HB2 ASN 108 2HB ASN 108 -11.279 -13.605 1.163 824 HB3 ASN 108 3HB ASN 108 -12.189 -14.253 -0.198 825 HD21 ASN 108 1HD2 ASN 108 -9.158 -14.933 1.522 826 HD22 ASN 108 2HD2 ASN 108 -9.396 -16.642 1.611 827 H MET 109 H MET 109 -11.157 -11.292 -0.157 828 HA MET 109 HA MET 109 -12.862 -10.947 -2.391 829 HB2 MET 109 2HB MET 109 -11.819 -9.093 -0.267 830 HB3 MET 109 3HB MET 109 -12.809 -8.492 -1.590 831 HG2 MET 109 2HG MET 109 -13.832 -10.827 -0.091 832 HG3 MET 109 3HG MET 109 -13.825 -9.272 0.736 833 HE1 MET 109 1HE MET 109 -15.983 -9.105 1.192 834 HE2 MET 109 2HE MET 109 -16.267 -7.604 0.311 835 HE3 MET 109 3HE MET 109 -17.371 -8.966 0.113 836 H TYR 110 H TYR 110 -9.546 -10.028 -1.718 837 HA TYR 110 HA TYR 110 -9.140 -8.157 -3.740 838 HB2 TYR 110 2HB TYR 110 -7.575 -9.234 -1.805 839 HB3 TYR 110 3HB TYR 110 -6.904 -10.022 -3.229 840 HD1 TYR 110 HD1 TYR 110 -7.326 -6.855 -1.461 841 HD2 TYR 110 HD2 TYR 110 -5.806 -8.710 -4.976 842 HE1 TYR 110 HE1 TYR 110 -6.017 -4.833 -1.956 843 HE2 TYR 110 HE2 TYR 110 -4.492 -6.693 -5.480 844 HH TYR 110 HH TYR 110 -3.682 -4.470 -3.442 845 H SER 111 H SER 111 -8.746 -11.687 -3.819 846 HA SER 111 HA SER 111 -8.121 -11.661 -6.641 847 HB2 SER 111 2HB SER 111 -6.975 -13.372 -5.556 848 HB3 SER 111 3HB SER 111 -8.352 -13.786 -4.536 849 HG SER 111 HG SER 111 -7.869 -14.448 -7.228 850 H GLN 112 H GLN 112 -10.870 -12.389 -4.583 851 HA GLN 112 HA GLN 112 -12.497 -13.615 -6.530 852 HB2 GLN 112 2HB GLN 112 -13.030 -12.240 -3.921 853 HB3 GLN 112 3HB GLN 112 -14.373 -12.712 -4.952 854 HG2 GLN 112 2HG GLN 112 -12.340 -14.781 -4.408 855 HG3 GLN 112 3HG GLN 112 -13.353 -14.286 -3.052 856 HE21 GLN 112 1HE2 GLN 112 -13.335 -15.675 -6.259 857 HE22 GLN 112 2HE2 GLN 112 -14.897 -16.406 -6.161 858 H MET 113 H MET 113 -11.802 -10.279 -5.795 859 HA MET 113 HA MET 113 -13.983 -9.222 -7.341 860 HB2 MET 113 2HB MET 113 -11.617 -8.055 -5.926 861 HB3 MET 113 3HB MET 113 -12.501 -7.072 -7.086 862 HG2 MET 113 2HG MET 113 -14.486 -7.189 -5.822 863 HG3 MET 113 3HG MET 113 -13.849 -8.479 -4.806 864 HE1 MET 113 1HE MET 113 -14.831 -4.826 -4.199 865 HE2 MET 113 2HE MET 113 -13.295 -4.012 -4.499 866 HE3 MET 113 3HE MET 113 -14.058 -4.957 -5.779 867 H GLY 114 H GLY 114 -10.852 -10.410 -8.017 868 HA2 GLY 114 2HA GLY 114 -10.199 -10.883 -10.268 869 HA3 GLY 114 3HA GLY 114 -11.128 -9.488 -10.796 870 H LEU 115 H LEU 115 -9.091 -9.195 -8.014 871 HA LEU 115 HA LEU 115 -7.420 -7.301 -9.470 872 HB2 LEU 115 2HB LEU 115 -7.178 -7.888 -6.546 873 HB3 LEU 115 3HB LEU 115 -6.824 -6.396 -7.414 874 HG LEU 115 HG LEU 115 -9.613 -7.460 -6.996 875 HD11 LEU 115 1HD1 LEU 115 -8.966 -5.103 -5.480 876 HD12 LEU 115 2HD1 LEU 115 -7.906 -6.439 -5.038 877 HD13 LEU 115 3HD1 LEU 115 -9.655 -6.633 -4.938 878 HD21 LEU 115 1HD2 LEU 115 -8.725 -4.664 -7.654 879 HD22 LEU 115 2HD2 LEU 115 -10.349 -5.347 -7.741 880 HD23 LEU 115 3HD2 LEU 115 -9.114 -5.857 -8.894 881 H ASP 116 H ASP 116 -7.124 -10.269 -7.573 882 HA ASP 116 HA ASP 116 -4.377 -10.557 -8.603 883 HB2 ASP 116 2HB ASP 116 -4.772 -10.210 -6.042 884 HB3 ASP 116 3HB ASP 116 -5.277 -11.897 -6.075 885 H THR 117 H THR 117 -3.837 -12.446 -9.569 886 HA THR 117 HA THR 117 -5.983 -14.211 -10.319 887 HB THR 117 HB THR 117 -3.083 -14.702 -10.947 888 HG1 THR 117 HG1 THR 117 -3.705 -13.365 -12.904 889 HG21 THR 117 1HG2 THR 117 -4.972 -15.052 -13.091 890 HG22 THR 117 2HG2 THR 117 -5.493 -15.947 -11.663 891 HG23 THR 117 3HG2 THR 117 -3.894 -16.233 -12.350 892 H ARG 118 H ARG 118 -6.643 -15.792 -9.025 893 HA ARG 118 HA ARG 118 -4.626 -17.464 -7.707 894 HB2 ARG 118 2HB ARG 118 -5.634 -15.762 -6.111 895 HB3 ARG 118 3HB ARG 118 -7.161 -16.611 -6.315 896 HG2 ARG 118 2HG ARG 118 -6.581 -18.098 -4.786 897 HG3 ARG 118 3HG ARG 118 -5.118 -18.502 -5.687 898 HD2 ARG 118 2HD ARG 118 -3.928 -16.676 -4.621 899 HD3 ARG 118 3HD ARG 118 -5.394 -16.189 -3.772 900 HE ARG 118 HE ARG 118 -4.751 -18.886 -3.193 901 HH11 ARG 118 1HH1 ARG 118 -3.789 -15.616 -2.486 902 HH12 ARG 118 2HH1 ARG 118 -3.142 -16.005 -0.927 903 HH21 ARG 118 1HH2 ARG 118 -3.903 -19.411 -1.143 904 HH22 ARG 118 2HH2 ARG 118 -3.207 -18.165 -0.164 905 HA PRO 119 HA PRO 119 -7.855 -19.882 -10.048 906 HB2 PRO 119 2HB PRO 119 -6.076 -21.393 -11.434 907 HB3 PRO 119 3HB PRO 119 -6.642 -19.816 -11.999 908 HG2 PRO 119 2HG PRO 119 -4.095 -20.522 -10.593 909 HG3 PRO 119 3HG PRO 119 -4.348 -19.438 -11.972 910 HD2 PRO 119 2HD PRO 119 -4.034 -18.527 -9.442 911 HD3 PRO 119 3HD PRO 119 -5.053 -17.697 -10.637 912 H21 MYR 201 1H2 MYR 1 7.092 10.185 6.698 913 H22 MYR 201 2H2 MYR 1 7.776 9.366 5.307 914 H31 MYR 201 1H3 MYR 1 4.828 10.291 5.248 915 H32 MYR 201 2H3 MYR 1 5.263 8.822 6.123 916 H41 MYR 201 1H4 MYR 1 6.212 7.790 4.067 917 H42 MYR 201 2H4 MYR 1 6.032 9.297 3.164 918 H51 MYR 201 1H5 MYR 1 3.568 9.165 3.249 919 H52 MYR 201 2H5 MYR 1 3.613 7.852 4.429 920 H61 MYR 201 1H6 MYR 1 5.007 6.545 2.538 921 H62 MYR 201 2H6 MYR 1 4.334 7.756 1.444 922 H71 MYR 201 1H7 MYR 1 2.090 6.893 3.017 923 H72 MYR 201 2H7 MYR 1 3.006 5.414 2.714 924 H81 MYR 201 1H8 MYR 1 2.743 5.549 0.351 925 H82 MYR 201 2H8 MYR 1 2.553 7.304 0.354 926 H91 MYR 201 1H9 MYR 1 0.293 6.969 0.212 927 H92 MYR 201 2H9 MYR 1 0.331 6.446 1.897 928 H101 MYR 201 1H10 MYR 1 0.488 4.685 -0.622 929 H102 MYR 201 2H10 MYR 1 -0.785 4.679 0.588 930 H111 MYR 201 1H11 MYR 1 0.318 3.018 1.725 931 H112 MYR 201 2H11 MYR 1 1.663 4.112 2.008 932 H121 MYR 201 1H12 MYR 1 2.707 3.463 -0.203 933 H122 MYR 201 2H12 MYR 1 1.369 2.360 -0.521 934 H131 MYR 201 1H13 MYR 1 2.437 1.771 2.157 935 H132 MYR 201 2H13 MYR 1 3.784 1.845 1.018 936 H141 MYR 201 1H14 MYR 1 2.160 -0.414 1.383 937 H142 MYR 201 2H14 MYR 1 1.393 0.328 -0.040 938 H143 MYR 201 3H14 MYR 1 3.115 -0.112 -0.092 Start of MODEL 3 1 H GLY 2 H GLY 2 4.124 14.669 0.370 2 HA2 GLY 2 2HA GLY 2 3.200 16.969 -0.418 3 HA3 GLY 2 3HA GLY 2 1.771 16.427 0.448 4 H ASN 3 H ASN 3 5.287 16.699 0.982 5 HA ASN 3 HA ASN 3 6.495 17.332 2.805 6 HB2 ASN 3 2HB ASN 3 4.079 19.110 3.198 7 HB3 ASN 3 3HB ASN 3 5.601 19.289 4.066 8 HD21 ASN 3 1HD2 ASN 3 7.532 19.142 2.365 9 HD22 ASN 3 2HD2 ASN 3 7.379 20.269 1.065 10 H GLY 4 H GLY 4 5.232 14.954 3.213 11 HA2 GLY 4 2HA GLY 4 4.680 13.491 4.893 12 HA3 GLY 4 3HA GLY 4 5.233 14.724 6.017 13 H GLN 5 H GLN 5 2.466 14.166 3.836 14 HA GLN 5 HA GLN 5 0.603 14.338 6.006 15 HB2 GLN 5 2HB GLN 5 1.024 16.714 5.713 16 HB3 GLN 5 3HB GLN 5 0.706 16.586 3.989 17 HG2 GLN 5 2HG GLN 5 -1.489 15.610 5.632 18 HG3 GLN 5 3HG GLN 5 -1.104 17.307 5.913 19 HE21 GLN 5 1HE2 GLN 5 -1.372 18.790 4.253 20 HE22 GLN 5 2HE2 GLN 5 -2.288 18.431 2.833 21 H GLY 6 H GLY 6 -1.140 13.147 5.533 22 HA2 GLY 6 2HA GLY 6 -2.298 13.041 2.921 23 HA3 GLY 6 3HA GLY 6 -1.373 11.590 3.278 24 H ARG 7 H ARG 7 -4.381 12.527 3.094 25 HA ARG 7 HA ARG 7 -5.481 11.819 5.625 26 HB2 ARG 7 2HB ARG 7 -6.489 12.576 2.975 27 HB3 ARG 7 3HB ARG 7 -7.523 11.440 3.831 28 HG2 ARG 7 2HG ARG 7 -8.366 13.485 4.482 29 HG3 ARG 7 3HG ARG 7 -7.282 13.078 5.814 30 HD2 ARG 7 2HD ARG 7 -5.532 14.466 4.784 31 HD3 ARG 7 3HD ARG 7 -6.651 14.898 3.493 32 HE ARG 7 HE ARG 7 -7.985 15.625 5.727 33 HH11 ARG 7 1HH1 ARG 7 -4.779 16.283 4.541 34 HH12 ARG 7 2HH1 ARG 7 -4.677 17.838 5.298 35 HH21 ARG 7 1HH2 ARG 7 -7.863 17.669 6.730 36 HH22 ARG 7 2HH2 ARG 7 -6.431 18.625 6.545 37 H ASP 8 H ASP 8 -5.670 10.144 2.477 38 HA ASP 8 HA ASP 8 -6.692 7.742 3.453 39 HB2 ASP 8 2HB ASP 8 -5.314 8.606 0.973 40 HB3 ASP 8 3HB ASP 8 -5.322 6.876 1.301 41 H TRP 9 H TRP 9 -3.492 9.022 3.575 42 HA TRP 9 HA TRP 9 -2.128 6.541 3.953 43 HB2 TRP 9 2HB TRP 9 -0.843 8.387 3.148 44 HB3 TRP 9 3HB TRP 9 -1.351 9.408 4.491 45 HD1 TRP 9 HD1 TRP 9 0.241 9.508 6.507 46 HE1 TRP 9 HE1 TRP 9 2.317 8.190 7.266 47 HE3 TRP 9 HE3 TRP 9 0.175 5.796 2.992 48 HZ2 TRP 9 HZ2 TRP 9 3.739 5.882 6.479 49 HZ3 TRP 9 HZ3 TRP 9 1.929 4.072 3.064 50 HH2 TRP 9 HH2 TRP 9 3.674 4.116 4.772 51 H LYS 10 H LYS 10 -2.643 9.231 6.244 52 HA LYS 10 HA LYS 10 -2.017 7.731 8.535 53 HB2 LYS 10 2HB LYS 10 -2.919 10.395 7.927 54 HB3 LYS 10 3HB LYS 10 -3.821 9.764 9.299 55 HG2 LYS 10 2HG LYS 10 -0.869 9.437 9.294 56 HG3 LYS 10 3HG LYS 10 -1.537 11.040 9.606 57 HD2 LYS 10 2HD LYS 10 -2.876 10.140 11.433 58 HD3 LYS 10 3HD LYS 10 -2.255 8.521 11.106 59 HE2 LYS 10 2HE LYS 10 0.068 9.604 11.452 60 HE3 LYS 10 3HE LYS 10 -0.830 10.903 12.236 61 HZ1 LYS 10 1HZ LYS 10 0.061 8.819 13.561 62 HZ2 LYS 10 2HZ LYS 10 -1.423 8.168 13.072 63 HZ3 LYS 10 3HZ LYS 10 -1.383 9.593 13.984 64 H MET 11 H MET 11 -4.973 8.107 6.731 65 HA MET 11 HA MET 11 -6.713 7.091 8.754 66 HB2 MET 11 2HB MET 11 -7.002 7.502 5.785 67 HB3 MET 11 3HB MET 11 -8.275 6.765 6.748 68 HG2 MET 11 2HG MET 11 -7.109 9.485 7.286 69 HG3 MET 11 3HG MET 11 -8.565 9.196 6.338 70 HE1 MET 11 1HE MET 11 -7.624 10.794 8.819 71 HE2 MET 11 2HE MET 11 -9.154 10.951 9.680 72 HE3 MET 11 3HE MET 11 -7.834 10.020 10.390 73 H ALA 12 H ALA 12 -5.182 5.683 5.875 74 HA ALA 12 HA ALA 12 -6.293 3.131 6.040 75 HB1 ALA 12 1HB ALA 12 -5.082 3.898 4.081 76 HB2 ALA 12 2HB ALA 12 -3.578 3.933 5.003 77 HB3 ALA 12 3HB ALA 12 -4.383 2.396 4.688 78 H ILE 13 H ILE 13 -3.381 4.460 7.554 79 HA ILE 13 HA ILE 13 -2.475 2.045 8.700 80 HB ILE 13 HB ILE 13 -2.005 4.880 9.629 81 HG12 ILE 13 2HG1 ILE 13 -1.271 4.416 7.308 82 HG13 ILE 13 3HG1 ILE 13 0.082 4.740 8.386 83 HG21 ILE 13 1HG2 ILE 13 -0.794 2.259 10.432 84 HG22 ILE 13 2HG2 ILE 13 0.101 3.770 10.596 85 HG23 ILE 13 3HG2 ILE 13 -1.424 3.551 11.454 86 HD11 ILE 13 1HD1 ILE 13 -0.481 1.928 8.308 87 HD12 ILE 13 2HD1 ILE 13 -0.246 2.566 6.679 88 HD13 ILE 13 3HD1 ILE 13 1.002 2.791 7.904 89 H LYS 14 H LYS 14 -4.178 4.790 10.217 90 HA LYS 14 HA LYS 14 -4.578 3.626 12.713 91 HB2 LYS 14 2HB LYS 14 -4.966 5.974 12.407 92 HB3 LYS 14 3HB LYS 14 -6.218 5.668 11.211 93 HG2 LYS 14 2HG LYS 14 -7.794 5.225 12.770 94 HG3 LYS 14 3HG LYS 14 -6.638 4.506 13.894 95 HD2 LYS 14 2HD LYS 14 -7.230 6.471 14.971 96 HD3 LYS 14 3HD LYS 14 -5.745 6.929 14.134 97 HE2 LYS 14 2HE LYS 14 -6.855 8.572 13.135 98 HE3 LYS 14 3HE LYS 14 -7.860 7.369 12.328 99 HZ1 LYS 14 1HZ LYS 14 -9.501 7.547 13.937 100 HZ2 LYS 14 2HZ LYS 14 -8.998 9.150 13.740 101 HZ3 LYS 14 3HZ LYS 14 -8.471 8.257 15.075 102 H ARG 15 H ARG 15 -6.676 3.583 9.847 103 HA ARG 15 HA ARG 15 -8.780 2.121 11.014 104 HB2 ARG 15 2HB ARG 15 -7.908 2.408 8.137 105 HB3 ARG 15 3HB ARG 15 -9.383 1.584 8.627 106 HG2 ARG 15 2HG ARG 15 -9.229 4.196 9.827 107 HG3 ARG 15 3HG ARG 15 -9.062 4.293 8.073 108 HD2 ARG 15 2HD ARG 15 -11.149 3.359 7.694 109 HD3 ARG 15 3HD ARG 15 -11.211 2.605 9.287 110 HE ARG 15 HE ARG 15 -12.198 4.501 10.072 111 HH11 ARG 15 1HH1 ARG 15 -10.467 5.286 7.155 112 HH12 ARG 15 2HH1 ARG 15 -11.021 6.927 7.113 113 HH21 ARG 15 1HH2 ARG 15 -12.934 6.659 10.027 114 HH22 ARG 15 2HH2 ARG 15 -12.423 7.707 8.748 115 H CYS 16 H CYS 16 -6.103 1.043 8.923 116 HA CYS 16 HA CYS 16 -6.675 -1.659 8.858 117 HB2 CYS 16 2HB CYS 16 -4.894 -0.514 7.537 118 HB3 CYS 16 3HB CYS 16 -3.908 -0.446 8.992 119 HG CYS 16 HG CYS 16 -4.857 -3.545 8.563 120 H SER 17 H SER 17 -5.315 0.246 11.431 121 HA SER 17 HA SER 17 -4.082 -1.702 12.975 122 HB2 SER 17 2HB SER 17 -4.461 0.940 13.285 123 HB3 SER 17 3HB SER 17 -5.675 0.349 14.420 124 HG SER 17 HG SER 17 -2.912 -0.305 14.408 125 H ASN 18 H ASN 18 -7.451 -1.112 12.413 126 HA ASN 18 HA ASN 18 -8.359 -2.682 14.656 127 HB2 ASN 18 2HB ASN 18 -9.668 -1.236 12.390 128 HB3 ASN 18 3HB ASN 18 -10.584 -2.475 13.242 129 HD21 ASN 18 1HD2 ASN 18 -10.243 -2.257 15.742 130 HD22 ASN 18 2HD2 ASN 18 -10.513 -0.665 16.358 131 H VAL 19 H VAL 19 -7.593 -3.204 11.308 132 HA VAL 19 HA VAL 19 -9.007 -5.493 10.701 133 HB VAL 19 HB VAL 19 -6.153 -4.865 9.931 134 HG11 VAL 19 1HG1 VAL 19 -7.826 -7.146 9.390 135 HG12 VAL 19 2HG1 VAL 19 -7.411 -6.305 7.895 136 HG13 VAL 19 3HG1 VAL 19 -6.134 -6.872 8.973 137 HG21 VAL 19 1HG2 VAL 19 -8.658 -4.372 8.337 138 HG22 VAL 19 2HG2 VAL 19 -7.924 -3.151 9.377 139 HG23 VAL 19 3HG2 VAL 19 -7.025 -3.795 8.003 140 H ALA 20 H ALA 20 -8.963 -7.564 11.324 141 HA ALA 20 HA ALA 20 -7.137 -8.323 13.454 142 HB1 ALA 20 1HB ALA 20 -8.875 -9.489 14.182 143 HB2 ALA 20 2HB ALA 20 -9.802 -8.974 12.771 144 HB3 ALA 20 3HB ALA 20 -8.860 -10.464 12.713 145 H VAL 21 H VAL 21 -5.164 -8.618 12.426 146 HA VAL 21 HA VAL 21 -4.699 -9.978 10.043 147 HB VAL 21 HB VAL 21 -2.830 -9.972 12.413 148 HG11 VAL 21 1HG1 VAL 21 -2.495 -10.383 9.464 149 HG12 VAL 21 2HG1 VAL 21 -1.151 -9.832 10.466 150 HG13 VAL 21 3HG1 VAL 21 -1.923 -11.384 10.798 151 HG21 VAL 21 1HG2 VAL 21 -3.838 -7.769 10.832 152 HG22 VAL 21 2HG2 VAL 21 -2.837 -7.747 12.284 153 HG23 VAL 21 3HG2 VAL 21 -2.086 -7.917 10.697 154 H GLY 22 H GLY 22 -5.450 -11.191 13.200 155 HA2 GLY 22 2HA GLY 22 -4.772 -13.929 12.347 156 HA3 GLY 22 3HA GLY 22 -4.994 -13.413 14.013 157 H VAL 23 H VAL 23 -6.741 -13.820 10.949 158 HA VAL 23 HA VAL 23 -9.336 -13.564 11.859 159 HB VAL 23 HB VAL 23 -8.666 -13.851 9.474 160 HG11 VAL 23 1HG1 VAL 23 -7.372 -16.075 10.281 161 HG12 VAL 23 2HG1 VAL 23 -8.859 -16.785 9.652 162 HG13 VAL 23 3HG1 VAL 23 -7.857 -15.771 8.613 163 HG21 VAL 23 1HG2 VAL 23 -10.678 -15.916 9.606 164 HG22 VAL 23 2HG2 VAL 23 -11.012 -14.627 10.763 165 HG23 VAL 23 3HG2 VAL 23 -10.816 -14.247 9.052 166 H GLY 24 H GLY 24 -7.109 -16.229 12.253 167 HA2 GLY 24 2HA GLY 24 -9.128 -17.570 13.930 168 HA3 GLY 24 3HA GLY 24 -8.203 -18.490 12.753 169 H GLY 25 H GLY 25 -8.272 -18.991 15.555 170 HA2 GLY 25 2HA GLY 25 -6.670 -19.751 17.052 171 HA3 GLY 25 3HA GLY 25 -5.430 -19.003 16.056 172 H LYS 26 H LYS 26 -4.354 -17.455 17.059 173 HA LYS 26 HA LYS 26 -5.493 -16.163 19.393 174 HB2 LYS 26 2HB LYS 26 -2.779 -16.339 18.163 175 HB3 LYS 26 3HB LYS 26 -3.124 -14.989 19.236 176 HG2 LYS 26 2HG LYS 26 -4.036 -17.391 20.467 177 HG3 LYS 26 3HG LYS 26 -2.373 -17.619 19.918 178 HD2 LYS 26 2HD LYS 26 -1.554 -15.947 21.280 179 HD3 LYS 26 3HD LYS 26 -3.107 -15.111 21.364 180 HE2 LYS 26 2HE LYS 26 -2.572 -17.792 22.630 181 HE3 LYS 26 3HE LYS 26 -2.403 -16.257 23.479 182 HZ1 LYS 26 1HZ LYS 26 -4.822 -17.645 22.611 183 HZ2 LYS 26 2HZ LYS 26 -4.842 -15.955 22.557 184 HZ3 LYS 26 3HZ LYS 26 -4.535 -16.750 24.018 185 H SER 27 H SER 27 -5.914 -13.986 19.612 186 HA SER 27 HA SER 27 -6.718 -12.608 17.254 187 HB2 SER 27 2HB SER 27 -7.954 -12.288 19.316 188 HB3 SER 27 3HB SER 27 -6.512 -11.679 20.128 189 HG SER 27 HG SER 27 -7.751 -9.938 19.473 190 H LYS 28 H LYS 28 -5.884 -10.739 16.327 191 HA LYS 28 HA LYS 28 -3.507 -9.480 17.307 192 HB2 LYS 28 2HB LYS 28 -3.104 -11.772 15.773 193 HB3 LYS 28 3HB LYS 28 -2.874 -10.446 14.640 194 HG2 LYS 28 2HG LYS 28 -0.953 -9.787 15.598 195 HG3 LYS 28 3HG LYS 28 -1.532 -10.116 17.233 196 HD2 LYS 28 2HD LYS 28 -1.298 -12.593 16.609 197 HD3 LYS 28 3HD LYS 28 -0.337 -12.023 15.243 198 HE2 LYS 28 2HE LYS 28 0.247 -11.242 18.090 199 HE3 LYS 28 3HE LYS 28 0.941 -12.675 17.332 200 HZ1 LYS 28 1HZ LYS 28 2.555 -11.176 16.859 201 HZ2 LYS 28 2HZ LYS 28 1.502 -9.853 16.831 202 HZ3 LYS 28 3HZ LYS 28 1.575 -10.905 15.507 203 H LYS 29 H LYS 29 -3.369 -7.446 16.551 204 HA LYS 29 HA LYS 29 -5.141 -6.716 14.313 205 HB2 LYS 29 2HB LYS 29 -4.647 -5.511 16.941 206 HB3 LYS 29 3HB LYS 29 -4.591 -4.358 15.614 207 HG2 LYS 29 2HG LYS 29 -6.805 -4.280 16.214 208 HG3 LYS 29 3HG LYS 29 -6.833 -5.465 14.906 209 HD2 LYS 29 2HD LYS 29 -7.644 -7.018 16.276 210 HD3 LYS 29 3HD LYS 29 -6.297 -6.787 17.393 211 HE2 LYS 29 2HE LYS 29 -8.439 -6.405 18.499 212 HE3 LYS 29 3HE LYS 29 -7.476 -4.930 18.445 213 HZ1 LYS 29 1HZ LYS 29 -9.063 -3.905 17.312 214 HZ2 LYS 29 2HZ LYS 29 -10.066 -5.240 17.578 215 HZ3 LYS 29 3HZ LYS 29 -9.150 -5.140 16.160 216 H PHE 30 H PHE 30 -4.402 -5.293 12.736 217 HA PHE 30 HA PHE 30 -1.651 -5.466 12.103 218 HB2 PHE 30 2HB PHE 30 -4.066 -4.473 10.853 219 HB3 PHE 30 3HB PHE 30 -2.718 -3.373 10.578 220 HD1 PHE 30 HD1 PHE 30 -4.427 -5.795 9.022 221 HD2 PHE 30 HD2 PHE 30 -0.424 -4.977 10.213 222 HE1 PHE 30 HE1 PHE 30 -3.598 -7.269 7.236 223 HE2 PHE 30 HE2 PHE 30 0.412 -6.448 8.427 224 HZ PHE 30 HZ PHE 30 -1.175 -7.596 6.935 225 H GLY 31 H GLY 31 -0.660 -3.179 11.266 226 HA2 GLY 31 2HA GLY 31 -1.051 -0.899 12.870 227 HA3 GLY 31 3HA GLY 31 0.222 -1.876 13.586 228 H GLU 32 H GLU 32 0.837 0.631 12.786 229 HA GLU 32 HA GLU 32 1.670 1.001 10.156 230 HB2 GLU 32 2HB GLU 32 3.227 2.692 11.073 231 HB3 GLU 32 3HB GLU 32 1.603 2.841 11.728 232 HG2 GLU 32 2HG GLU 32 2.547 1.364 13.654 233 HG3 GLU 32 3HG GLU 32 4.107 1.932 13.061 234 H GLY 33 H GLY 33 3.351 -0.497 12.885 235 HA2 GLY 33 2HA GLY 33 5.849 -0.832 11.622 236 HA3 GLY 33 3HA GLY 33 5.259 -1.767 12.987 237 H ASN 34 H ASN 34 3.199 -3.177 12.067 238 HA ASN 34 HA ASN 34 4.375 -5.274 10.650 239 HB2 ASN 34 2HB ASN 34 1.424 -4.650 10.904 240 HB3 ASN 34 3HB ASN 34 2.120 -6.213 10.487 241 HD21 ASN 34 1HD2 ASN 34 0.433 -5.225 12.763 242 HD22 ASN 34 2HD2 ASN 34 1.268 -5.754 14.179 243 H PHE 35 H PHE 35 2.093 -2.788 9.523 244 HA PHE 35 HA PHE 35 1.803 -3.608 6.900 245 HB2 PHE 35 2HB PHE 35 0.438 -1.829 7.749 246 HB3 PHE 35 3HB PHE 35 1.847 -0.824 8.068 247 HD1 PHE 35 HD1 PHE 35 0.900 -2.791 5.054 248 HD2 PHE 35 HD2 PHE 35 1.643 1.048 6.736 249 HE1 PHE 35 HE1 PHE 35 0.672 -1.774 2.826 250 HE2 PHE 35 HE2 PHE 35 1.416 2.071 4.510 251 HZ PHE 35 HZ PHE 35 0.929 0.661 2.551 252 H ARG 36 H ARG 36 4.347 -1.608 8.329 253 HA ARG 36 HA ARG 36 5.674 -1.014 5.902 254 HB2 ARG 36 2HB ARG 36 6.677 -1.065 8.753 255 HB3 ARG 36 3HB ARG 36 7.608 -0.452 7.393 256 HG2 ARG 36 2HG ARG 36 4.900 0.673 7.783 257 HG3 ARG 36 3HG ARG 36 6.139 1.114 8.959 258 HD2 ARG 36 2HD ARG 36 7.443 1.384 6.552 259 HD3 ARG 36 3HD ARG 36 5.810 1.937 6.181 260 HE ARG 36 HE ARG 36 6.162 3.780 7.505 261 HH11 ARG 36 1HH1 ARG 36 8.680 1.442 8.069 262 HH12 ARG 36 2HH1 ARG 36 9.646 2.520 9.021 263 HH21 ARG 36 1HH2 ARG 36 7.425 5.207 8.757 264 HH22 ARG 36 2HH2 ARG 36 8.932 4.660 9.412 265 H TRP 37 H TRP 37 6.104 -3.565 8.318 266 HA TRP 37 HA TRP 37 8.429 -4.719 7.291 267 HB2 TRP 37 2HB TRP 37 7.665 -5.391 9.453 268 HB3 TRP 37 3HB TRP 37 6.112 -5.921 8.809 269 HD1 TRP 37 HD1 TRP 37 9.628 -7.112 9.448 270 HE1 TRP 37 HE1 TRP 37 9.832 -9.588 8.775 271 HE3 TRP 37 HE3 TRP 37 5.162 -7.663 7.022 272 HZ2 TRP 37 HZ2 TRP 37 8.302 -11.519 7.396 273 HZ3 TRP 37 HZ3 TRP 37 4.609 -9.856 6.053 274 HH2 TRP 37 HH2 TRP 37 6.148 -11.743 6.237 275 H ALA 38 H ALA 38 5.092 -5.005 6.285 276 HA ALA 38 HA ALA 38 5.488 -7.265 4.581 277 HB1 ALA 38 1HB ALA 38 3.283 -7.137 5.089 278 HB2 ALA 38 2HB ALA 38 3.283 -5.374 5.146 279 HB3 ALA 38 3HB ALA 38 3.248 -6.206 3.592 280 H ILE 39 H ILE 39 4.892 -3.818 3.869 281 HA ILE 39 HA ILE 39 5.360 -3.981 1.115 282 HB ILE 39 HB ILE 39 4.271 -2.044 2.074 283 HG12 ILE 39 2HG1 ILE 39 6.924 -1.295 0.822 284 HG13 ILE 39 3HG1 ILE 39 5.472 -1.760 -0.059 285 HG21 ILE 39 1HG2 ILE 39 6.924 -1.303 3.296 286 HG22 ILE 39 2HG2 ILE 39 5.397 -0.436 3.452 287 HG23 ILE 39 3HG2 ILE 39 5.585 -2.029 4.185 288 HD11 ILE 39 1HD1 ILE 39 4.645 0.317 1.574 289 HD12 ILE 39 2HD1 ILE 39 6.242 0.805 1.004 290 HD13 ILE 39 3HD1 ILE 39 4.978 0.394 -0.155 291 H ARG 40 H ARG 40 7.567 -3.397 3.807 292 HA ARG 40 HA ARG 40 9.834 -2.709 2.290 293 HB2 ARG 40 2HB ARG 40 9.579 -2.375 4.753 294 HB3 ARG 40 3HB ARG 40 9.784 -4.108 4.967 295 HG2 ARG 40 2HG ARG 40 12.009 -3.792 3.723 296 HG3 ARG 40 3HG ARG 40 11.789 -2.075 4.070 297 HD2 ARG 40 2HD ARG 40 11.330 -3.760 6.395 298 HD3 ARG 40 3HD ARG 40 12.954 -3.945 5.734 299 HE ARG 40 HE ARG 40 12.357 -1.212 5.917 300 HH11 ARG 40 1HH1 ARG 40 12.976 -3.955 7.969 301 HH12 ARG 40 2HH1 ARG 40 13.633 -3.006 9.260 302 HH21 ARG 40 1HH2 ARG 40 13.219 0.049 7.611 303 HH22 ARG 40 2HH2 ARG 40 13.770 -0.728 9.056 304 H MET 41 H MET 41 8.934 -5.835 3.755 305 HA MET 41 HA MET 41 11.057 -7.296 2.626 306 HB2 MET 41 2HB MET 41 9.644 -8.032 4.554 307 HB3 MET 41 3HB MET 41 8.338 -8.353 3.418 308 HG2 MET 41 2HG MET 41 9.201 -10.435 3.537 309 HG3 MET 41 3HG MET 41 10.227 -9.802 2.251 310 HE1 MET 41 1HE MET 41 9.934 -10.258 6.133 311 HE2 MET 41 2HE MET 41 10.238 -11.818 5.368 312 HE3 MET 41 3HE MET 41 11.453 -11.103 6.430 313 H ALA 42 H ALA 42 7.633 -7.114 1.639 314 HA ALA 42 HA ALA 42 7.750 -8.694 -0.619 315 HB1 ALA 42 1HB ALA 42 6.048 -6.343 0.111 316 HB2 ALA 42 2HB ALA 42 5.876 -7.127 -1.459 317 HB3 ALA 42 3HB ALA 42 5.616 -8.051 0.019 318 H ASN 43 H ASN 43 8.854 -5.411 -0.169 319 HA ASN 43 HA ASN 43 9.131 -4.751 -2.918 320 HB2 ASN 43 2HB ASN 43 10.114 -3.602 -0.340 321 HB3 ASN 43 3HB ASN 43 10.874 -3.073 -1.837 322 HD21 ASN 43 1HD2 ASN 43 9.403 -1.424 -0.096 323 HD22 ASN 43 2HD2 ASN 43 8.004 -0.866 -0.943 324 H VAL 44 H VAL 44 11.601 -5.567 -0.472 325 HA VAL 44 HA VAL 44 13.732 -5.801 -2.284 326 HB VAL 44 HB VAL 44 14.157 -5.553 0.084 327 HG11 VAL 44 1HG1 VAL 44 12.929 -8.292 0.389 328 HG12 VAL 44 2HG1 VAL 44 13.724 -7.373 1.668 329 HG13 VAL 44 3HG1 VAL 44 12.232 -6.770 0.946 330 HG21 VAL 44 1HG2 VAL 44 15.487 -7.282 -1.600 331 HG22 VAL 44 2HG2 VAL 44 16.087 -6.670 -0.058 332 HG23 VAL 44 3HG2 VAL 44 15.272 -8.232 -0.129 333 H SER 45 H SER 45 11.317 -8.103 -1.202 334 HA SER 45 HA SER 45 12.550 -10.445 -2.172 335 HB2 SER 45 2HB SER 45 9.933 -9.684 -1.119 336 HB3 SER 45 3HB SER 45 9.833 -10.939 -2.354 337 HG SER 45 HG SER 45 10.988 -12.279 -1.115 338 H THR 46 H THR 46 10.773 -7.914 -3.728 339 HA THR 46 HA THR 46 10.484 -9.476 -6.186 340 HB THR 46 HB THR 46 9.362 -7.263 -6.970 341 HG1 THR 46 HG1 THR 46 8.799 -5.866 -5.403 342 HG21 THR 46 1HG2 THR 46 8.346 -9.390 -5.181 343 HG22 THR 46 2HG2 THR 46 7.811 -8.914 -6.792 344 HG23 THR 46 3HG2 THR 46 7.314 -7.975 -5.384 345 H GLY 47 H GLY 47 13.078 -8.416 -5.081 346 HA2 GLY 47 2HA GLY 47 14.988 -7.399 -5.852 347 HA3 GLY 47 3HA GLY 47 14.379 -7.821 -7.446 348 H ARG 48 H ARG 48 12.617 -5.674 -5.343 349 HA ARG 48 HA ARG 48 13.198 -3.476 -7.208 350 HB2 ARG 48 2HB ARG 48 10.765 -4.489 -6.126 351 HB3 ARG 48 3HB ARG 48 10.997 -2.858 -5.507 352 HG2 ARG 48 2HG ARG 48 11.389 -2.137 -7.892 353 HG3 ARG 48 3HG ARG 48 10.827 -3.740 -8.372 354 HD2 ARG 48 2HD ARG 48 8.678 -3.253 -7.927 355 HD3 ARG 48 3HD ARG 48 9.083 -2.361 -6.462 356 HE ARG 48 HE ARG 48 9.024 -0.425 -7.675 357 HH11 ARG 48 1HH1 ARG 48 9.286 -3.121 -9.862 358 HH12 ARG 48 2HH1 ARG 48 9.074 -2.156 -11.285 359 HH21 ARG 48 1HH2 ARG 48 8.743 0.856 -9.541 360 HH22 ARG 48 2HH2 ARG 48 8.765 0.107 -11.101 361 H GLU 49 H GLU 49 13.699 -1.420 -6.435 362 HA GLU 49 HA GLU 49 15.384 -1.226 -4.260 363 HB2 GLU 49 2HB GLU 49 14.864 1.281 -4.394 364 HB3 GLU 49 3HB GLU 49 15.517 0.508 -5.833 365 HG2 GLU 49 2HG GLU 49 13.592 0.743 -7.011 366 HG3 GLU 49 3HG GLU 49 12.570 0.646 -5.577 367 HA PRO 50 HA PRO 50 12.938 -0.980 -0.625 368 HB2 PRO 50 2HB PRO 50 14.334 0.815 0.858 369 HB3 PRO 50 3HB PRO 50 14.904 -0.831 0.554 370 HG2 PRO 50 2HG PRO 50 15.678 1.722 -0.804 371 HG3 PRO 50 3HG PRO 50 16.709 0.381 -0.271 372 HD2 PRO 50 2HD PRO 50 15.946 0.696 -2.850 373 HD3 PRO 50 3HD PRO 50 16.214 -0.901 -2.120 374 H GLY 51 H GLY 51 13.455 1.816 -2.562 375 HA2 GLY 51 2HA GLY 51 11.664 3.501 -1.009 376 HA3 GLY 51 3HA GLY 51 12.488 3.945 -2.497 377 H ASP 52 H ASP 52 10.259 1.287 -1.696 378 HA ASP 52 HA ASP 52 8.640 2.078 -4.019 379 HB2 ASP 52 2HB ASP 52 9.479 -0.482 -2.925 380 HB3 ASP 52 3HB ASP 52 7.732 -0.409 -3.148 381 H ILE 53 H ILE 53 7.477 3.719 -2.945 382 HA ILE 53 HA ILE 53 5.499 2.705 -1.009 383 HB ILE 53 HB ILE 53 5.399 5.172 -0.252 384 HG12 ILE 53 2HG1 ILE 53 8.247 5.174 -1.238 385 HG13 ILE 53 3HG1 ILE 53 6.934 5.851 -2.195 386 HG21 ILE 53 1HG2 ILE 53 7.979 4.089 0.642 387 HG22 ILE 53 2HG2 ILE 53 6.550 4.532 1.571 388 HG23 ILE 53 3HG2 ILE 53 6.618 2.973 0.750 389 HD11 ILE 53 1HD1 ILE 53 7.875 6.754 0.511 390 HD12 ILE 53 2HD1 ILE 53 7.985 7.626 -1.018 391 HD13 ILE 53 3HD1 ILE 53 6.411 7.348 -0.273 392 HA PRO 54 HA PRO 54 3.303 4.260 -4.788 393 HB2 PRO 54 2HB PRO 54 1.566 2.177 -4.914 394 HB3 PRO 54 3HB PRO 54 3.168 2.140 -5.662 395 HG2 PRO 54 2HG PRO 54 2.267 0.980 -3.053 396 HG3 PRO 54 3HG PRO 54 3.315 0.266 -4.293 397 HD2 PRO 54 2HD PRO 54 4.292 1.392 -2.032 398 HD3 PRO 54 3HD PRO 54 5.170 1.430 -3.574 399 H GLU 55 H GLU 55 0.677 4.040 -4.980 400 HA GLU 55 HA GLU 55 -0.745 4.250 -2.521 401 HB2 GLU 55 2HB GLU 55 0.606 6.581 -3.343 402 HB3 GLU 55 3HB GLU 55 -1.090 6.843 -3.725 403 HG2 GLU 55 2HG GLU 55 -0.288 5.824 -1.035 404 HG3 GLU 55 3HG GLU 55 -0.183 7.542 -1.412 405 H THR 56 H THR 56 -0.879 2.971 -5.166 406 HA THR 56 HA THR 56 -3.591 3.853 -5.894 407 HB THR 56 HB THR 56 -3.194 3.561 -8.216 408 HG1 THR 56 HG1 THR 56 -1.434 2.543 -9.025 409 HG21 THR 56 1HG2 THR 56 -2.035 5.463 -8.544 410 HG22 THR 56 2HG2 THR 56 -0.602 4.844 -7.725 411 HG23 THR 56 3HG2 THR 56 -1.935 5.515 -6.785 412 H LEU 57 H LEU 57 -5.074 2.266 -6.146 413 HA LEU 57 HA LEU 57 -4.712 -0.242 -5.044 414 HB2 LEU 57 2HB LEU 57 -6.848 1.116 -5.856 415 HB3 LEU 57 3HB LEU 57 -6.694 0.033 -7.237 416 HG LEU 57 HG LEU 57 -8.300 -0.803 -5.591 417 HD11 LEU 57 1HD1 LEU 57 -5.868 -2.564 -5.518 418 HD12 LEU 57 2HD1 LEU 57 -6.804 -2.309 -6.991 419 HD13 LEU 57 3HD1 LEU 57 -7.568 -3.033 -5.577 420 HD21 LEU 57 1HD2 LEU 57 -6.324 0.035 -3.741 421 HD22 LEU 57 2HD2 LEU 57 -6.533 -1.706 -3.556 422 HD23 LEU 57 3HD2 LEU 57 -7.924 -0.631 -3.413 423 H ASP 58 H ASP 58 -4.138 0.847 -8.311 424 HA ASP 58 HA ASP 58 -3.946 -1.714 -9.518 425 HB2 ASP 58 2HB ASP 58 -2.610 0.852 -10.401 426 HB3 ASP 58 3HB ASP 58 -2.945 -0.561 -11.399 427 H GLN 59 H GLN 59 -1.640 0.398 -7.907 428 HA GLN 59 HA GLN 59 0.691 -1.039 -8.631 429 HB2 GLN 59 2HB GLN 59 0.002 1.188 -6.889 430 HB3 GLN 59 3HB GLN 59 1.244 0.161 -6.185 431 HG2 GLN 59 2HG GLN 59 2.720 1.270 -7.404 432 HG3 GLN 59 3HG GLN 59 2.032 0.484 -8.824 433 HE21 GLN 59 1HE2 GLN 59 2.202 3.391 -6.953 434 HE22 GLN 59 2HE2 GLN 59 1.417 4.422 -8.095 435 H LEU 60 H LEU 60 -1.344 -1.097 -5.717 436 HA LEU 60 HA LEU 60 0.126 -3.017 -4.302 437 HB2 LEU 60 2HB LEU 60 -2.773 -2.231 -4.231 438 HB3 LEU 60 3HB LEU 60 -2.101 -3.447 -3.148 439 HG LEU 60 HG LEU 60 -0.618 -0.931 -3.123 440 HD11 LEU 60 1HD1 LEU 60 -2.412 0.414 -3.188 441 HD12 LEU 60 2HD1 LEU 60 -2.668 -0.144 -1.535 442 HD13 LEU 60 3HD1 LEU 60 -3.541 -0.903 -2.867 443 HD21 LEU 60 1HD2 LEU 60 -0.970 -3.125 -1.495 444 HD22 LEU 60 2HD2 LEU 60 -1.880 -1.859 -0.672 445 HD23 LEU 60 3HD2 LEU 60 -0.173 -1.616 -1.046 446 H ARG 61 H ARG 61 -2.473 -3.347 -6.665 447 HA ARG 61 HA ARG 61 -2.876 -6.122 -6.361 448 HB2 ARG 61 2HB ARG 61 -4.546 -4.834 -7.488 449 HB3 ARG 61 3HB ARG 61 -3.384 -4.248 -8.671 450 HG2 ARG 61 2HG ARG 61 -3.482 -7.124 -8.685 451 HG3 ARG 61 3HG ARG 61 -5.091 -6.436 -8.912 452 HD2 ARG 61 2HD ARG 61 -4.450 -6.346 -11.073 453 HD3 ARG 61 3HD ARG 61 -3.667 -4.853 -10.558 454 HE ARG 61 HE ARG 61 -1.863 -6.923 -10.132 455 HH11 ARG 61 1HH1 ARG 61 -3.484 -5.393 -12.806 456 HH12 ARG 61 2HH1 ARG 61 -2.215 -5.728 -13.936 457 HH21 ARG 61 1HH2 ARG 61 -0.184 -7.370 -11.611 458 HH22 ARG 61 2HH2 ARG 61 -0.339 -6.853 -13.255 459 H LEU 62 H LEU 62 -0.736 -4.243 -8.457 460 HA LEU 62 HA LEU 62 0.242 -6.454 -9.940 461 HB2 LEU 62 2HB LEU 62 0.376 -3.856 -10.347 462 HB3 LEU 62 3HB LEU 62 1.905 -4.023 -9.487 463 HG LEU 62 HG LEU 62 1.630 -5.970 -11.627 464 HD11 LEU 62 1HD1 LEU 62 0.540 -4.587 -13.046 465 HD12 LEU 62 2HD1 LEU 62 2.161 -3.931 -13.271 466 HD13 LEU 62 3HD1 LEU 62 1.028 -3.129 -12.183 467 HD21 LEU 62 1HD2 LEU 62 3.617 -3.948 -10.676 468 HD22 LEU 62 2HD2 LEU 62 3.818 -4.713 -12.253 469 HD23 LEU 62 3HD2 LEU 62 3.767 -5.702 -10.792 470 H VAL 63 H VAL 63 1.448 -4.726 -7.089 471 HA VAL 63 HA VAL 63 3.889 -6.029 -6.792 472 HB VAL 63 HB VAL 63 2.063 -5.014 -4.608 473 HG11 VAL 63 1HG1 VAL 63 4.220 -4.791 -3.339 474 HG12 VAL 63 2HG1 VAL 63 3.683 -6.449 -3.618 475 HG13 VAL 63 3HG1 VAL 63 4.981 -5.763 -4.597 476 HG21 VAL 63 1HG2 VAL 63 4.326 -3.350 -5.151 477 HG22 VAL 63 2HG2 VAL 63 3.432 -3.630 -6.646 478 HG23 VAL 63 3HG2 VAL 63 2.610 -2.955 -5.240 479 H ILE 64 H ILE 64 0.674 -6.944 -5.627 480 HA ILE 64 HA ILE 64 1.463 -9.176 -4.110 481 HB ILE 64 HB ILE 64 -1.158 -8.691 -5.531 482 HG12 ILE 64 2HG1 ILE 64 -0.748 -8.356 -2.591 483 HG13 ILE 64 3HG1 ILE 64 -0.179 -7.086 -3.668 484 HG21 ILE 64 1HG2 ILE 64 -0.172 -10.947 -4.021 485 HG22 ILE 64 2HG2 ILE 64 -1.598 -10.238 -3.264 486 HG23 ILE 64 3HG2 ILE 64 -1.666 -10.775 -4.943 487 HD11 ILE 64 1HD1 ILE 64 -2.442 -6.688 -2.766 488 HD12 ILE 64 2HD1 ILE 64 -2.393 -6.755 -4.528 489 HD13 ILE 64 3HD1 ILE 64 -2.997 -8.135 -3.610 490 H CYS 65 H CYS 65 0.128 -9.034 -7.415 491 HA CYS 65 HA CYS 65 0.272 -11.716 -8.046 492 HB2 CYS 65 2HB CYS 65 -0.291 -9.358 -9.420 493 HB3 CYS 65 3HB CYS 65 1.062 -10.059 -10.300 494 HG CYS 65 HG CYS 65 -1.579 -12.050 -9.545 495 H ASP 66 H ASP 66 2.827 -9.327 -7.965 496 HA ASP 66 HA ASP 66 4.780 -10.829 -9.360 497 HB2 ASP 66 2HB ASP 66 5.194 -8.690 -7.260 498 HB3 ASP 66 3HB ASP 66 6.393 -9.250 -8.423 499 H LEU 67 H LEU 67 4.305 -10.288 -5.867 500 HA LEU 67 HA LEU 67 6.322 -11.987 -4.969 501 HB2 LEU 67 2HB LEU 67 4.115 -10.545 -3.842 502 HB3 LEU 67 3HB LEU 67 4.213 -12.148 -3.113 503 HG LEU 67 HG LEU 67 5.420 -10.612 -1.736 504 HD11 LEU 67 1HD1 LEU 67 6.516 -12.911 -2.817 505 HD12 LEU 67 2HD1 LEU 67 7.062 -12.065 -1.369 506 HD13 LEU 67 3HD1 LEU 67 7.815 -11.724 -2.927 507 HD21 LEU 67 1HD2 LEU 67 6.250 -9.518 -4.290 508 HD22 LEU 67 2HD2 LEU 67 7.611 -9.751 -3.193 509 HD23 LEU 67 3HD2 LEU 67 6.232 -8.772 -2.693 510 H GLN 68 H GLN 68 2.900 -12.665 -5.611 511 HA GLN 68 HA GLN 68 2.867 -15.325 -4.754 512 HB2 GLN 68 2HB GLN 68 1.101 -13.545 -6.097 513 HB3 GLN 68 3HB GLN 68 1.145 -15.046 -7.010 514 HG2 GLN 68 2HG GLN 68 0.828 -16.133 -4.650 515 HG3 GLN 68 3HG GLN 68 0.195 -14.539 -4.238 516 HE21 GLN 68 1HE2 GLN 68 -1.722 -15.984 -3.863 517 HE22 GLN 68 2HE2 GLN 68 -2.797 -16.218 -5.194 518 H GLU 69 H GLU 69 3.668 -13.927 -7.903 519 HA GLU 69 HA GLU 69 3.906 -16.292 -9.363 520 HB2 GLU 69 2HB GLU 69 3.928 -13.987 -10.316 521 HB3 GLU 69 3HB GLU 69 5.566 -13.791 -9.707 522 HG2 GLU 69 2HG GLU 69 6.452 -14.923 -11.404 523 HG3 GLU 69 3HG GLU 69 5.234 -16.193 -11.310 524 H ARG 70 H ARG 70 6.387 -14.498 -7.553 525 HA ARG 70 HA ARG 70 8.471 -16.346 -8.093 526 HB2 ARG 70 2HB ARG 70 8.595 -13.879 -7.276 527 HB3 ARG 70 3HB ARG 70 8.427 -14.576 -5.670 528 HG2 ARG 70 2HG ARG 70 10.599 -14.978 -5.625 529 HG3 ARG 70 3HG ARG 70 10.431 -16.042 -7.024 530 HD2 ARG 70 2HD ARG 70 10.734 -14.171 -8.526 531 HD3 ARG 70 3HD ARG 70 10.778 -13.050 -7.166 532 HE ARG 70 HE ARG 70 12.788 -15.072 -6.976 533 HH11 ARG 70 1HH1 ARG 70 11.986 -12.027 -8.463 534 HH12 ARG 70 2HH1 ARG 70 13.637 -11.549 -8.675 535 HH21 ARG 70 1HH2 ARG 70 14.965 -14.453 -7.252 536 HH22 ARG 70 2HH2 ARG 70 15.331 -12.929 -7.987 537 H ARG 71 H ARG 71 6.548 -15.754 -5.148 538 HA ARG 71 HA ARG 71 7.581 -17.802 -3.590 539 HB2 ARG 71 2HB ARG 71 6.124 -16.082 -2.674 540 HB3 ARG 71 3HB ARG 71 4.774 -16.682 -3.627 541 HG2 ARG 71 2HG ARG 71 5.029 -18.864 -2.375 542 HG3 ARG 71 3HG ARG 71 6.125 -18.001 -1.294 543 HD2 ARG 71 2HD ARG 71 4.450 -16.888 -0.287 544 HD3 ARG 71 3HD ARG 71 3.578 -16.636 -1.799 545 HE ARG 71 HE ARG 71 3.209 -18.783 0.086 546 HH11 ARG 71 1HH1 ARG 71 2.766 -17.726 -3.202 547 HH12 ARG 71 2HH1 ARG 71 1.467 -18.827 -3.519 548 HH21 ARG 71 1HH2 ARG 71 1.499 -20.238 -0.320 549 HH22 ARG 71 2HH2 ARG 71 0.746 -20.255 -1.879 550 H GLU 72 H GLU 72 5.348 -17.936 -6.241 551 HA GLU 72 HA GLU 72 4.305 -20.533 -5.666 552 HB2 GLU 72 2HB GLU 72 3.054 -18.971 -7.057 553 HB3 GLU 72 3HB GLU 72 4.356 -18.946 -8.238 554 HG2 GLU 72 2HG GLU 72 3.290 -21.609 -7.629 555 HG3 GLU 72 3HG GLU 72 2.154 -20.506 -8.402 556 H LYS 73 H LYS 73 6.608 -19.359 -8.121 557 HA LYS 73 HA LYS 73 7.343 -21.792 -9.202 558 HB2 LYS 73 2HB LYS 73 8.570 -19.115 -9.011 559 HB3 LYS 73 3HB LYS 73 9.694 -20.431 -9.321 560 HG2 LYS 73 2HG LYS 73 8.172 -21.113 -11.219 561 HG3 LYS 73 3HG LYS 73 7.344 -19.573 -10.982 562 HD2 LYS 73 2HD LYS 73 10.285 -19.441 -11.190 563 HD3 LYS 73 3HD LYS 73 9.428 -19.914 -12.659 564 HE2 LYS 73 2HE LYS 73 8.209 -17.652 -11.271 565 HE3 LYS 73 3HE LYS 73 9.859 -17.339 -11.806 566 HZ1 LYS 73 1HZ LYS 73 8.010 -16.809 -13.425 567 HZ2 LYS 73 2HZ LYS 73 7.816 -18.479 -13.615 568 HZ3 LYS 73 3HZ LYS 73 9.286 -17.748 -14.023 569 H PHE 74 H PHE 74 8.382 -20.290 -6.213 570 HA PHE 74 HA PHE 74 10.405 -22.320 -5.742 571 HB2 PHE 74 2HB PHE 74 9.986 -19.671 -4.854 572 HB3 PHE 74 3HB PHE 74 9.869 -20.699 -3.430 573 HD1 PHE 74 HD1 PHE 74 11.819 -20.740 -2.238 574 HD2 PHE 74 HD2 PHE 74 12.011 -20.689 -6.489 575 HE1 PHE 74 HE1 PHE 74 14.274 -20.864 -2.125 576 HE2 PHE 74 HE2 PHE 74 14.466 -20.814 -6.384 577 HZ PHE 74 HZ PHE 74 15.600 -20.903 -4.199 578 H GLY 75 H GLY 75 7.120 -21.623 -4.877 579 HA2 GLY 75 2HA GLY 75 5.963 -23.785 -4.206 580 HA3 GLY 75 3HA GLY 75 7.163 -23.835 -2.923 581 H SER 76 H SER 76 6.902 -22.587 -1.114 582 HA SER 76 HA SER 76 4.757 -20.624 -1.023 583 HB2 SER 76 2HB SER 76 3.820 -21.731 1.064 584 HB3 SER 76 3HB SER 76 3.488 -22.562 -0.456 585 HG SER 76 HG SER 76 4.220 -23.976 1.218 586 H SER 77 H SER 77 4.606 -19.843 1.422 587 HA SER 77 HA SER 77 6.862 -19.972 3.075 588 HB2 SER 77 2HB SER 77 8.187 -18.845 1.489 589 HB3 SER 77 3HB SER 77 6.873 -17.761 1.029 590 HG SER 77 HG SER 77 8.674 -17.578 3.107 591 H LYS 78 H LYS 78 6.350 -19.159 5.020 592 HA LYS 78 HA LYS 78 3.755 -18.108 5.472 593 HB2 LYS 78 2HB LYS 78 5.855 -19.190 7.034 594 HB3 LYS 78 3HB LYS 78 5.491 -17.603 7.699 595 HG2 LYS 78 2HG LYS 78 3.616 -18.335 8.631 596 HG3 LYS 78 3HG LYS 78 3.076 -19.079 7.124 597 HD2 LYS 78 2HD LYS 78 4.687 -20.968 7.646 598 HD3 LYS 78 3HD LYS 78 4.843 -20.261 9.256 599 HE2 LYS 78 2HE LYS 78 3.188 -21.935 9.437 600 HE3 LYS 78 3HE LYS 78 2.324 -20.399 9.419 601 HZ1 LYS 78 1HZ LYS 78 1.297 -22.092 7.992 602 HZ2 LYS 78 2HZ LYS 78 2.701 -22.154 7.053 603 HZ3 LYS 78 3HZ LYS 78 1.787 -20.732 7.113 604 H GLU 79 H GLU 79 6.996 -16.655 5.672 605 HA GLU 79 HA GLU 79 6.187 -14.090 6.440 606 HB2 GLU 79 2HB GLU 79 8.607 -15.146 5.011 607 HB3 GLU 79 3HB GLU 79 8.396 -13.418 5.252 608 HG2 GLU 79 2HG GLU 79 9.699 -14.058 7.052 609 HG3 GLU 79 3HG GLU 79 8.073 -14.003 7.727 610 H ILE 80 H ILE 80 6.851 -15.386 3.194 611 HA ILE 80 HA ILE 80 6.288 -13.060 1.751 612 HB ILE 80 HB ILE 80 5.882 -15.924 0.874 613 HG12 ILE 80 2HG1 ILE 80 8.256 -14.100 0.442 614 HG13 ILE 80 3HG1 ILE 80 8.182 -15.347 1.680 615 HG21 ILE 80 1HG2 ILE 80 6.528 -14.551 -1.364 616 HG22 ILE 80 2HG2 ILE 80 4.876 -14.906 -0.862 617 HG23 ILE 80 3HG2 ILE 80 5.592 -13.337 -0.493 618 HD11 ILE 80 1HD1 ILE 80 8.901 -15.571 -1.073 619 HD12 ILE 80 2HD1 ILE 80 8.986 -16.782 0.207 620 HD13 ILE 80 3HD1 ILE 80 7.508 -16.599 -0.737 621 H ASP 81 H ASP 81 4.157 -15.800 2.546 622 HA ASP 81 HA ASP 81 1.850 -14.928 1.286 623 HB2 ASP 81 2HB ASP 81 2.007 -17.147 2.251 624 HB3 ASP 81 3HB ASP 81 2.137 -16.470 3.872 625 H MET 82 H MET 82 3.190 -13.991 4.400 626 HA MET 82 HA MET 82 0.949 -12.571 5.356 627 HB2 MET 82 2HB MET 82 3.892 -12.230 5.957 628 HB3 MET 82 3HB MET 82 2.601 -11.438 6.849 629 HG2 MET 82 2HG MET 82 2.359 -14.356 6.611 630 HG3 MET 82 3HG MET 82 3.732 -13.781 7.554 631 HE1 MET 82 1HE MET 82 0.782 -15.293 9.421 632 HE2 MET 82 2HE MET 82 2.462 -15.459 8.910 633 HE3 MET 82 3HE MET 82 2.079 -14.677 10.444 634 H ALA 83 H ALA 83 3.934 -11.372 3.810 635 HA ALA 83 HA ALA 83 3.293 -8.693 3.660 636 HB1 ALA 83 1HB ALA 83 5.102 -8.474 2.309 637 HB2 ALA 83 2HB ALA 83 5.409 -10.113 2.884 638 HB3 ALA 83 3HB ALA 83 4.662 -9.857 1.307 639 H ILE 84 H ILE 84 2.297 -11.324 1.539 640 HA ILE 84 HA ILE 84 1.161 -9.765 -0.508 641 HB ILE 84 HB ILE 84 0.374 -12.535 0.404 642 HG12 ILE 84 2HG1 ILE 84 2.090 -11.865 -1.971 643 HG13 ILE 84 3HG1 ILE 84 2.800 -12.015 -0.368 644 HG21 ILE 84 1HG2 ILE 84 -0.054 -12.139 -2.365 645 HG22 ILE 84 2HG2 ILE 84 -1.246 -12.460 -1.107 646 HG23 ILE 84 3HG2 ILE 84 -0.814 -10.798 -1.509 647 HD11 ILE 84 1HD1 ILE 84 1.138 -14.271 -0.827 648 HD12 ILE 84 2HD1 ILE 84 2.197 -14.052 -2.221 649 HD13 ILE 84 3HD1 ILE 84 2.886 -14.207 -0.605 650 H VAL 85 H VAL 85 -0.425 -11.413 2.231 651 HA VAL 85 HA VAL 85 -2.993 -10.394 1.776 652 HB VAL 85 HB VAL 85 -1.750 -11.221 4.403 653 HG11 VAL 85 1HG1 VAL 85 -3.633 -10.257 5.198 654 HG12 VAL 85 2HG1 VAL 85 -4.463 -10.341 3.643 655 HG13 VAL 85 3HG1 VAL 85 -4.367 -11.771 4.672 656 HG21 VAL 85 1HG2 VAL 85 -3.302 -13.279 3.770 657 HG22 VAL 85 2HG2 VAL 85 -2.952 -12.716 2.136 658 HG23 VAL 85 3HG2 VAL 85 -1.631 -13.164 3.216 659 H THR 86 H THR 86 -0.361 -9.190 3.828 660 HA THR 86 HA THR 86 -1.666 -7.085 5.066 661 HB THR 86 HB THR 86 1.200 -7.007 4.110 662 HG1 THR 86 HG1 THR 86 1.525 -8.577 5.477 663 HG21 THR 86 1HG2 THR 86 1.161 -5.822 6.540 664 HG22 THR 86 2HG2 THR 86 -0.440 -5.379 5.943 665 HG23 THR 86 3HG2 THR 86 0.998 -4.945 5.018 666 H LEU 87 H LEU 87 -0.126 -7.191 1.882 667 HA LEU 87 HA LEU 87 -0.433 -4.446 1.284 668 HB2 LEU 87 2HB LEU 87 -0.036 -6.900 -0.395 669 HB3 LEU 87 3HB LEU 87 -0.256 -5.313 -1.127 670 HG LEU 87 HG LEU 87 1.976 -6.093 0.749 671 HD11 LEU 87 1HD1 LEU 87 1.906 -5.676 -2.233 672 HD12 LEU 87 2HD1 LEU 87 2.274 -7.169 -1.370 673 HD13 LEU 87 3HD1 LEU 87 3.383 -5.800 -1.277 674 HD21 LEU 87 1HD2 LEU 87 1.623 -3.806 1.090 675 HD22 LEU 87 2HD2 LEU 87 1.240 -3.519 -0.609 676 HD23 LEU 87 3HD2 LEU 87 2.900 -3.873 -0.126 677 H LYS 88 H LYS 88 -2.419 -7.287 0.527 678 HA LYS 88 HA LYS 88 -4.367 -5.951 -0.995 679 HB2 LYS 88 2HB LYS 88 -4.706 -8.425 0.710 680 HB3 LYS 88 3HB LYS 88 -5.775 -7.910 -0.589 681 HG2 LYS 88 2HG LYS 88 -4.356 -8.603 -2.220 682 HG3 LYS 88 3HG LYS 88 -2.913 -8.296 -1.251 683 HD2 LYS 88 2HD LYS 88 -2.821 -10.441 -0.677 684 HD3 LYS 88 3HD LYS 88 -4.444 -10.344 0.010 685 HE2 LYS 88 2HE LYS 88 -5.405 -11.300 -1.794 686 HE3 LYS 88 3HE LYS 88 -4.318 -10.499 -2.927 687 HZ1 LYS 88 1HZ LYS 88 -3.193 -12.584 -1.215 688 HZ2 LYS 88 2HZ LYS 88 -2.810 -12.172 -2.811 689 HZ3 LYS 88 3HZ LYS 88 -4.201 -13.076 -2.482 690 H VAL 89 H VAL 89 -4.217 -6.704 2.468 691 HA VAL 89 HA VAL 89 -6.738 -5.725 3.187 692 HB VAL 89 HB VAL 89 -4.208 -5.754 4.839 693 HG11 VAL 89 1HG1 VAL 89 -7.097 -5.383 5.597 694 HG12 VAL 89 2HG1 VAL 89 -5.841 -5.829 6.754 695 HG13 VAL 89 3HG1 VAL 89 -5.746 -4.290 5.897 696 HG21 VAL 89 1HG2 VAL 89 -5.234 -7.926 3.784 697 HG22 VAL 89 2HG2 VAL 89 -4.685 -7.915 5.460 698 HG23 VAL 89 3HG2 VAL 89 -6.403 -7.757 5.095 699 H PHE 90 H PHE 90 -3.577 -4.087 3.426 700 HA PHE 90 HA PHE 90 -4.627 -1.587 4.185 701 HB2 PHE 90 2HB PHE 90 -2.312 -2.049 4.602 702 HB3 PHE 90 3HB PHE 90 -2.005 -2.351 2.895 703 HD1 PHE 90 HD1 PHE 90 -2.423 0.176 5.475 704 HD2 PHE 90 HD2 PHE 90 -1.878 -0.500 1.309 705 HE1 PHE 90 HE1 PHE 90 -1.794 2.536 5.177 706 HE2 PHE 90 HE2 PHE 90 -1.246 1.858 1.004 707 HZ PHE 90 HZ PHE 90 -1.203 3.380 2.940 708 H ALA 91 H ALA 91 -4.154 -3.099 1.082 709 HA ALA 91 HA ALA 91 -4.277 -0.826 -0.562 710 HB1 ALA 91 1HB ALA 91 -5.111 -3.670 -1.113 711 HB2 ALA 91 2HB ALA 91 -4.971 -2.410 -2.341 712 HB3 ALA 91 3HB ALA 91 -3.543 -2.936 -1.449 713 H VAL 92 H VAL 92 -6.878 -3.135 0.248 714 HA VAL 92 HA VAL 92 -8.919 -1.484 -0.873 715 HB VAL 92 HB VAL 92 -9.214 -3.898 -0.765 716 HG11 VAL 92 1HG1 VAL 92 -9.698 -3.858 2.164 717 HG12 VAL 92 2HG1 VAL 92 -9.130 -5.168 1.126 718 HG13 VAL 92 3HG1 VAL 92 -8.026 -3.879 1.605 719 HG21 VAL 92 1HG2 VAL 92 -11.359 -3.308 1.069 720 HG22 VAL 92 2HG2 VAL 92 -11.109 -1.973 -0.057 721 HG23 VAL 92 3HG2 VAL 92 -11.417 -3.598 -0.669 722 H ALA 93 H ALA 93 -7.774 -2.131 2.412 723 HA ALA 93 HA ALA 93 -9.763 -0.587 3.722 724 HB1 ALA 93 1HB ALA 93 -8.471 -2.340 4.856 725 HB2 ALA 93 2HB ALA 93 -7.018 -1.352 4.706 726 HB3 ALA 93 3HB ALA 93 -8.365 -0.793 5.697 727 H GLY 94 H GLY 94 -7.068 0.284 1.867 728 HA2 GLY 94 2HA GLY 94 -6.908 2.931 3.154 729 HA3 GLY 94 3HA GLY 94 -5.663 2.230 2.132 730 H LEU 95 H LEU 95 -6.496 1.703 -0.167 731 HA LEU 95 HA LEU 95 -7.175 4.116 -1.412 732 HB2 LEU 95 2HB LEU 95 -7.185 1.265 -2.354 733 HB3 LEU 95 3HB LEU 95 -7.649 2.595 -3.414 734 HG LEU 95 HG LEU 95 -5.381 2.041 -3.884 735 HD11 LEU 95 1HD1 LEU 95 -6.201 4.558 -3.173 736 HD12 LEU 95 2HD1 LEU 95 -4.690 4.161 -3.992 737 HD13 LEU 95 3HD1 LEU 95 -4.718 4.356 -2.239 738 HD21 LEU 95 1HD2 LEU 95 -3.642 1.942 -2.236 739 HD22 LEU 95 2HD2 LEU 95 -4.951 0.874 -1.730 740 HD23 LEU 95 3HD2 LEU 95 -4.753 2.451 -0.965 741 H LEU 96 H LEU 96 -9.149 1.470 -0.265 742 HA LEU 96 HA LEU 96 -11.547 2.782 -1.346 743 HB2 LEU 96 2HB LEU 96 -10.741 0.063 -1.158 744 HB3 LEU 96 3HB LEU 96 -12.162 0.284 -0.140 745 HG LEU 96 HG LEU 96 -12.725 1.548 -2.597 746 HD11 LEU 96 1HD1 LEU 96 -11.057 0.395 -3.776 747 HD12 LEU 96 2HD1 LEU 96 -12.537 -0.520 -4.067 748 HD13 LEU 96 3HD1 LEU 96 -11.354 -1.106 -2.898 749 HD21 LEU 96 1HD2 LEU 96 -13.653 -1.092 -1.470 750 HD22 LEU 96 2HD2 LEU 96 -14.462 -0.165 -2.733 751 HD23 LEU 96 3HD2 LEU 96 -14.337 0.492 -1.100 752 H ASN 97 H ASN 97 -9.756 2.697 1.399 753 HA ASN 97 HA ASN 97 -10.128 3.128 3.606 754 HB2 ASN 97 2HB ASN 97 -11.307 5.077 2.195 755 HB3 ASN 97 3HB ASN 97 -12.731 4.435 3.008 756 HD21 ASN 97 1HD2 ASN 97 -9.358 4.935 3.986 757 HD22 ASN 97 2HD2 ASN 97 -9.727 5.865 5.395 758 H MET 98 H MET 98 -11.226 0.642 2.540 759 HA MET 98 HA MET 98 -13.581 0.272 4.259 760 HB2 MET 98 2HB MET 98 -12.561 -1.161 1.831 761 HB3 MET 98 3HB MET 98 -13.633 -1.989 2.952 762 HG2 MET 98 2HG MET 98 -15.008 0.290 2.599 763 HG3 MET 98 3HG MET 98 -14.192 0.178 1.041 764 HE1 MET 98 1HE MET 98 -17.829 -0.719 2.117 765 HE2 MET 98 2HE MET 98 -17.470 -2.287 2.842 766 HE3 MET 98 3HE MET 98 -16.647 -0.839 3.422 767 H THR 99 H THR 99 -12.529 0.055 6.237 768 HA THR 99 HA THR 99 -10.304 -1.593 6.720 769 HB THR 99 HB THR 99 -12.373 -1.138 8.839 770 HG1 THR 99 HG1 THR 99 -12.247 0.943 8.521 771 HG21 THR 99 1HG2 THR 99 -10.412 -0.849 10.252 772 HG22 THR 99 2HG2 THR 99 -9.357 -0.979 8.845 773 HG23 THR 99 3HG2 THR 99 -10.307 -2.370 9.367 774 H VAL 100 H VAL 100 -10.531 -3.624 5.832 775 HA VAL 100 HA VAL 100 -12.729 -5.297 5.917 776 HB VAL 100 HB VAL 100 -11.225 -7.156 5.545 777 HG11 VAL 100 1HG1 VAL 100 -10.711 -6.481 3.474 778 HG12 VAL 100 2HG1 VAL 100 -11.425 -4.939 3.949 779 HG13 VAL 100 3HG1 VAL 100 -9.680 -5.175 4.056 780 HG21 VAL 100 1HG2 VAL 100 -9.567 -6.747 7.234 781 HG22 VAL 100 2HG2 VAL 100 -8.764 -6.818 5.665 782 HG23 VAL 100 3HG2 VAL 100 -9.056 -5.260 6.436 783 H SER 101 H SER 101 -12.753 -7.459 7.144 784 HA SER 101 HA SER 101 -12.771 -6.818 9.974 785 HB2 SER 101 2HB SER 101 -13.807 -9.157 8.372 786 HB3 SER 101 3HB SER 101 -13.831 -9.137 10.135 787 HG SER 101 HG SER 101 -15.606 -8.047 9.945 788 H THR 102 H THR 102 -11.213 -9.124 7.792 789 HA THR 102 HA THR 102 -9.085 -9.487 9.760 790 HB THR 102 HB THR 102 -9.113 -11.860 9.722 791 HG1 THR 102 HG1 THR 102 -11.079 -11.569 7.686 792 HG21 THR 102 1HG2 THR 102 -12.024 -11.108 9.931 793 HG22 THR 102 2HG2 THR 102 -10.833 -10.694 11.165 794 HG23 THR 102 3HG2 THR 102 -11.168 -12.386 10.793 795 H ALA 103 H ALA 103 -7.120 -10.307 8.863 796 HA ALA 103 HA ALA 103 -6.375 -9.242 6.429 797 HB1 ALA 103 1HB ALA 103 -4.439 -9.759 7.397 798 HB2 ALA 103 2HB ALA 103 -5.188 -11.003 8.398 799 HB3 ALA 103 3HB ALA 103 -4.657 -11.389 6.761 800 H ALA 104 H ALA 104 -7.561 -12.490 7.148 801 HA ALA 104 HA ALA 104 -7.104 -13.606 4.597 802 HB1 ALA 104 1HB ALA 104 -7.941 -15.471 5.500 803 HB2 ALA 104 2HB ALA 104 -7.985 -14.559 7.009 804 HB3 ALA 104 3HB ALA 104 -9.429 -14.669 6.003 805 H ALA 105 H ALA 105 -9.893 -11.938 6.000 806 HA ALA 105 HA ALA 105 -11.713 -12.350 3.921 807 HB1 ALA 105 1HB ALA 105 -12.530 -11.496 5.970 808 HB2 ALA 105 2HB ALA 105 -11.441 -10.109 5.910 809 HB3 ALA 105 3HB ALA 105 -12.782 -10.227 4.772 810 H ALA 106 H ALA 106 -9.244 -9.858 4.358 811 HA ALA 106 HA ALA 106 -9.964 -8.257 2.151 812 HB1 ALA 106 1HB ALA 106 -8.154 -8.043 4.177 813 HB2 ALA 106 2HB ALA 106 -7.107 -8.320 2.785 814 HB3 ALA 106 3HB ALA 106 -8.242 -6.969 2.780 815 H GLU 107 H GLU 107 -7.424 -10.742 2.471 816 HA GLU 107 HA GLU 107 -6.522 -10.670 -0.166 817 HB2 GLU 107 2HB GLU 107 -5.234 -11.823 1.488 818 HB3 GLU 107 3HB GLU 107 -6.564 -12.913 1.851 819 HG2 GLU 107 2HG GLU 107 -5.872 -13.059 -0.936 820 HG3 GLU 107 3HG GLU 107 -4.455 -13.334 0.077 821 H ASN 108 H ASN 108 -9.182 -12.460 1.298 822 HA ASN 108 HA ASN 108 -9.780 -14.105 -0.909 823 HB2 ASN 108 2HB ASN 108 -10.687 -13.970 1.635 824 HB3 ASN 108 3HB ASN 108 -12.037 -13.219 0.789 825 HD21 ASN 108 1HD2 ASN 108 -13.076 -14.426 -0.892 826 HD22 ASN 108 2HD2 ASN 108 -13.067 -16.153 -0.846 827 H MET 109 H MET 109 -11.138 -10.981 0.113 828 HA MET 109 HA MET 109 -12.921 -10.740 -2.074 829 HB2 MET 109 2HB MET 109 -11.977 -9.027 0.129 830 HB3 MET 109 3HB MET 109 -12.481 -8.160 -1.315 831 HG2 MET 109 2HG MET 109 -14.394 -10.196 -0.673 832 HG3 MET 109 3HG MET 109 -14.093 -9.176 0.731 833 HE1 MET 109 1HE MET 109 -16.602 -6.667 0.271 834 HE2 MET 109 2HE MET 109 -15.676 -7.801 1.254 835 HE3 MET 109 3HE MET 109 -14.921 -6.317 0.671 836 H TYR 110 H TYR 110 -9.609 -9.663 -1.522 837 HA TYR 110 HA TYR 110 -9.294 -7.967 -3.700 838 HB2 TYR 110 2HB TYR 110 -7.656 -8.921 -1.716 839 HB3 TYR 110 3HB TYR 110 -6.962 -9.664 -3.153 840 HD1 TYR 110 HD1 TYR 110 -5.612 -8.414 -4.617 841 HD2 TYR 110 HD2 TYR 110 -7.943 -6.399 -1.683 842 HE1 TYR 110 HE1 TYR 110 -4.451 -6.311 -5.147 843 HE2 TYR 110 HE2 TYR 110 -6.789 -4.291 -2.205 844 HH TYR 110 HH TYR 110 -4.487 -4.067 -4.865 845 H SER 111 H SER 111 -8.777 -11.477 -3.507 846 HA SER 111 HA SER 111 -8.148 -11.678 -6.309 847 HB2 SER 111 2HB SER 111 -7.075 -13.246 -4.845 848 HB3 SER 111 3HB SER 111 -8.620 -13.755 -4.163 849 HG SER 111 HG SER 111 -7.352 -14.642 -6.378 850 H GLN 112 H GLN 112 -10.929 -12.331 -4.245 851 HA GLN 112 HA GLN 112 -12.534 -13.651 -6.123 852 HB2 GLN 112 2HB GLN 112 -13.112 -13.658 -3.777 853 HB3 GLN 112 3HB GLN 112 -13.297 -11.909 -3.776 854 HG2 GLN 112 2HG GLN 112 -15.327 -11.979 -4.815 855 HG3 GLN 112 3HG GLN 112 -14.977 -13.498 -5.637 856 HE21 GLN 112 1HE2 GLN 112 -16.219 -12.001 -2.798 857 HE22 GLN 112 2HE2 GLN 112 -16.790 -13.437 -2.026 858 H MET 113 H MET 113 -11.922 -10.244 -5.571 859 HA MET 113 HA MET 113 -14.027 -9.327 -7.287 860 HB2 MET 113 2HB MET 113 -12.743 -8.097 -5.345 861 HB3 MET 113 3HB MET 113 -11.638 -7.649 -6.637 862 HG2 MET 113 2HG MET 113 -13.044 -6.139 -7.471 863 HG3 MET 113 3HG MET 113 -14.433 -7.212 -7.317 864 HE1 MET 113 1HE MET 113 -11.926 -5.933 -4.547 865 HE2 MET 113 2HE MET 113 -12.181 -4.531 -5.587 866 HE3 MET 113 3HE MET 113 -12.803 -4.529 -3.935 867 H GLY 114 H GLY 114 -10.781 -10.408 -7.728 868 HA2 GLY 114 2HA GLY 114 -10.115 -11.093 -9.954 869 HA3 GLY 114 3HA GLY 114 -10.986 -9.703 -10.585 870 H LEU 115 H LEU 115 -9.085 -9.263 -7.743 871 HA LEU 115 HA LEU 115 -7.269 -7.549 -9.251 872 HB2 LEU 115 2HB LEU 115 -7.225 -7.852 -6.279 873 HB3 LEU 115 3HB LEU 115 -6.794 -6.455 -7.262 874 HG LEU 115 HG LEU 115 -9.619 -7.441 -6.893 875 HD11 LEU 115 1HD1 LEU 115 -9.088 -4.942 -5.617 876 HD12 LEU 115 2HD1 LEU 115 -7.972 -6.160 -5.003 877 HD13 LEU 115 3HD1 LEU 115 -9.711 -6.438 -4.920 878 HD21 LEU 115 1HD2 LEU 115 -10.171 -5.177 -7.719 879 HD22 LEU 115 2HD2 LEU 115 -9.315 -6.156 -8.911 880 HD23 LEU 115 3HD2 LEU 115 -8.456 -4.898 -8.022 881 H ASP 116 H ASP 116 -7.075 -10.127 -6.804 882 HA ASP 116 HA ASP 116 -4.254 -10.524 -7.472 883 HB2 ASP 116 2HB ASP 116 -4.533 -10.458 -5.140 884 HB3 ASP 116 3HB ASP 116 -6.000 -11.432 -5.198 885 H THR 117 H THR 117 -4.056 -11.721 -9.272 886 HA THR 117 HA THR 117 -5.863 -13.794 -10.009 887 HB THR 117 HB THR 117 -3.085 -13.674 -11.118 888 HG1 THR 117 HG1 THR 117 -3.455 -11.796 -12.111 889 HG21 THR 117 1HG2 THR 117 -5.838 -14.262 -12.184 890 HG22 THR 117 2HG2 THR 117 -4.438 -15.333 -12.109 891 HG23 THR 117 3HG2 THR 117 -4.458 -13.986 -13.246 892 H ARG 118 H ARG 118 -5.638 -16.008 -9.913 893 HA ARG 118 HA ARG 118 -4.149 -17.039 -7.713 894 HB2 ARG 118 2HB ARG 118 -6.110 -18.057 -9.654 895 HB3 ARG 118 3HB ARG 118 -4.945 -19.255 -9.105 896 HG2 ARG 118 2HG ARG 118 -6.640 -19.508 -7.577 897 HG3 ARG 118 3HG ARG 118 -5.568 -18.386 -6.736 898 HD2 ARG 118 2HD ARG 118 -6.943 -16.530 -7.280 899 HD3 ARG 118 3HD ARG 118 -7.889 -17.482 -8.424 900 HE ARG 118 HE ARG 118 -9.147 -18.268 -6.678 901 HH11 ARG 118 1HH1 ARG 118 -6.250 -16.793 -5.431 902 HH12 ARG 118 2HH1 ARG 118 -6.761 -16.880 -3.778 903 HH21 ARG 118 1HH2 ARG 118 -9.831 -18.388 -4.505 904 HH22 ARG 118 2HH2 ARG 118 -8.798 -17.788 -3.253 905 HA PRO 119 HA PRO 119 -0.382 -18.329 -9.553 906 HB2 PRO 119 2HB PRO 119 0.047 -20.743 -8.388 907 HB3 PRO 119 3HB PRO 119 0.203 -19.213 -7.516 908 HG2 PRO 119 2HG PRO 119 -2.081 -21.148 -7.552 909 HG3 PRO 119 3HG PRO 119 -1.369 -20.285 -6.177 910 HD2 PRO 119 2HD PRO 119 -3.659 -19.478 -7.376 911 HD3 PRO 119 3HD PRO 119 -2.509 -18.338 -6.648 912 H21 MYR 201 1H2 MYR 1 3.235 12.634 -1.618 913 H22 MYR 201 2H2 MYR 1 1.897 12.022 -0.666 914 H31 MYR 201 1H3 MYR 1 3.474 12.415 1.453 915 H32 MYR 201 2H3 MYR 1 4.778 12.634 0.284 916 H41 MYR 201 1H4 MYR 1 5.029 10.342 0.503 917 H42 MYR 201 2H4 MYR 1 3.735 10.270 -0.696 918 H51 MYR 201 1H5 MYR 1 2.271 9.323 0.802 919 H52 MYR 201 2H5 MYR 1 2.559 10.591 1.996 920 H61 MYR 201 1H6 MYR 1 3.982 9.267 3.232 921 H62 MYR 201 2H6 MYR 1 4.912 8.783 1.812 922 H71 MYR 201 1H7 MYR 1 2.120 7.581 2.238 923 H72 MYR 201 2H7 MYR 1 3.465 6.980 3.210 924 H81 MYR 201 1H8 MYR 1 4.580 6.017 1.365 925 H82 MYR 201 2H8 MYR 1 3.973 7.215 0.219 926 H91 MYR 201 1H9 MYR 1 2.249 5.842 -0.396 927 H92 MYR 201 2H9 MYR 1 1.666 5.745 1.266 928 H101 MYR 201 1H10 MYR 1 3.479 3.951 1.710 929 H102 MYR 201 2H10 MYR 1 3.845 3.945 -0.008 930 H111 MYR 201 1H11 MYR 1 1.000 3.607 0.097 931 H112 MYR 201 2H11 MYR 1 1.586 2.717 1.494 932 H121 MYR 201 1H12 MYR 1 3.362 1.671 -0.253 933 H122 MYR 201 2H12 MYR 1 2.183 2.185 -1.459 934 H131 MYR 201 1H13 MYR 1 0.989 0.275 -1.038 935 H132 MYR 201 2H13 MYR 1 0.585 0.921 0.554 936 H141 MYR 201 1H14 MYR 1 3.127 -0.755 -0.065 937 H142 MYR 201 2H14 MYR 1 2.672 -0.127 1.536 938 H143 MYR 201 3H14 MYR 1 1.662 -1.361 0.750 Start of MODEL 4 1 H GLY 2 H GLY 2 8.630 12.761 0.637 2 HA2 GLY 2 2HA GLY 2 8.519 14.718 -0.742 3 HA3 GLY 2 3HA GLY 2 6.905 14.231 -1.240 4 H ASN 3 H ASN 3 5.226 14.242 0.501 5 HA ASN 3 HA ASN 3 5.418 16.747 1.944 6 HB2 ASN 3 2HB ASN 3 3.333 15.307 0.731 7 HB3 ASN 3 3HB ASN 3 2.987 15.272 2.457 8 HD21 ASN 3 1HD2 ASN 3 3.988 17.514 -0.096 9 HD22 ASN 3 2HD2 ASN 3 3.061 18.854 0.479 10 H GLY 4 H GLY 4 5.447 13.326 2.616 11 HA2 GLY 4 2HA GLY 4 6.548 12.560 4.628 12 HA3 GLY 4 3HA GLY 4 5.894 13.964 5.461 13 H GLN 5 H GLN 5 3.253 13.897 4.774 14 HA GLN 5 HA GLN 5 2.192 11.250 5.254 15 HB2 GLN 5 2HB GLN 5 1.061 11.799 7.326 16 HB3 GLN 5 3HB GLN 5 2.794 12.026 7.521 17 HG2 GLN 5 2HG GLN 5 2.108 14.510 6.806 18 HG3 GLN 5 3HG GLN 5 0.602 13.999 7.565 19 HE21 GLN 5 1HE2 GLN 5 0.451 14.285 9.667 20 HE22 GLN 5 2HE2 GLN 5 1.770 14.479 10.766 21 H GLY 6 H GLY 6 -0.312 11.491 5.643 22 HA2 GLY 6 2HA GLY 6 -1.547 13.802 4.474 23 HA3 GLY 6 3HA GLY 6 -1.489 12.442 3.363 24 H ARG 7 H ARG 7 -3.913 13.030 3.684 25 HA ARG 7 HA ARG 7 -5.181 12.130 6.071 26 HB2 ARG 7 2HB ARG 7 -6.248 12.678 3.299 27 HB3 ARG 7 3HB ARG 7 -7.268 12.239 4.665 28 HG2 ARG 7 2HG ARG 7 -5.763 14.338 5.634 29 HG3 ARG 7 3HG ARG 7 -6.095 14.796 3.962 30 HD2 ARG 7 2HD ARG 7 -8.517 13.831 4.813 31 HD3 ARG 7 3HD ARG 7 -7.891 14.623 6.260 32 HE ARG 7 HE ARG 7 -7.632 16.259 3.935 33 HH11 ARG 7 1HH1 ARG 7 -9.864 15.186 6.382 34 HH12 ARG 7 2HH1 ARG 7 -10.874 16.590 6.260 35 HH21 ARG 7 1HH2 ARG 7 -8.954 18.110 3.766 36 HH22 ARG 7 2HH2 ARG 7 -10.356 18.252 4.772 37 H ASP 8 H ASP 8 -5.172 10.763 2.773 38 HA ASP 8 HA ASP 8 -6.383 8.335 3.436 39 HB2 ASP 8 2HB ASP 8 -4.387 8.843 1.219 40 HB3 ASP 8 3HB ASP 8 -5.537 7.510 1.299 41 H TRP 9 H TRP 9 -3.134 9.436 3.868 42 HA TRP 9 HA TRP 9 -1.905 6.878 4.109 43 HB2 TRP 9 2HB TRP 9 -0.534 8.793 3.597 44 HB3 TRP 9 3HB TRP 9 -1.055 9.616 5.064 45 HD1 TRP 9 HD1 TRP 9 0.714 9.550 6.897 46 HE1 TRP 9 HE1 TRP 9 2.598 7.943 7.600 47 HE3 TRP 9 HE3 TRP 9 0.020 5.900 3.386 48 HZ2 TRP 9 HZ2 TRP 9 3.652 5.458 6.774 49 HZ3 TRP 9 HZ3 TRP 9 1.509 3.941 3.410 50 HH2 TRP 9 HH2 TRP 9 3.287 3.727 5.070 51 H LYS 10 H LYS 10 -2.567 9.337 6.611 52 HA LYS 10 HA LYS 10 -2.156 7.589 8.781 53 HB2 LYS 10 2HB LYS 10 -2.197 10.160 8.755 54 HB3 LYS 10 3HB LYS 10 -3.945 10.007 8.883 55 HG2 LYS 10 2HG LYS 10 -3.794 8.966 10.999 56 HG3 LYS 10 3HG LYS 10 -2.053 8.726 10.834 57 HD2 LYS 10 2HD LYS 10 -1.585 10.810 11.529 58 HD3 LYS 10 3HD LYS 10 -2.900 11.518 10.590 59 HE2 LYS 10 2HE LYS 10 -3.517 9.919 13.037 60 HE3 LYS 10 3HE LYS 10 -2.959 11.584 13.201 61 HZ1 LYS 10 1HZ LYS 10 -4.806 12.100 11.524 62 HZ2 LYS 10 2HZ LYS 10 -5.252 11.774 13.123 63 HZ3 LYS 10 3HZ LYS 10 -5.429 10.582 11.937 64 H MET 11 H MET 11 -4.978 8.338 6.854 65 HA MET 11 HA MET 11 -6.911 7.202 8.585 66 HB2 MET 11 2HB MET 11 -6.875 7.849 5.649 67 HB3 MET 11 3HB MET 11 -8.251 7.038 6.384 68 HG2 MET 11 2HG MET 11 -7.369 9.432 7.811 69 HG3 MET 11 3HG MET 11 -7.941 9.730 6.171 70 HE1 MET 11 1HE MET 11 -9.423 11.252 8.072 71 HE2 MET 11 2HE MET 11 -10.243 10.997 6.532 72 HE3 MET 11 3HE MET 11 -11.122 10.778 8.047 73 H ALA 12 H ALA 12 -5.047 5.911 5.867 74 HA ALA 12 HA ALA 12 -6.283 3.387 5.750 75 HB1 ALA 12 1HB ALA 12 -3.428 4.021 5.027 76 HB2 ALA 12 2HB ALA 12 -4.417 2.695 4.416 77 HB3 ALA 12 3HB ALA 12 -4.814 4.359 3.991 78 H ILE 13 H ILE 13 -3.351 4.468 7.446 79 HA ILE 13 HA ILE 13 -2.612 2.013 8.544 80 HB ILE 13 HB ILE 13 -2.234 4.763 9.735 81 HG12 ILE 13 2HG1 ILE 13 -1.308 4.496 7.452 82 HG13 ILE 13 3HG1 ILE 13 -0.050 4.721 8.663 83 HG21 ILE 13 1HG2 ILE 13 -1.741 3.374 11.502 84 HG22 ILE 13 2HG2 ILE 13 -1.178 2.069 10.459 85 HG23 ILE 13 3HG2 ILE 13 -0.170 3.494 10.711 86 HD11 ILE 13 1HD1 ILE 13 -0.634 1.925 8.250 87 HD12 ILE 13 2HD1 ILE 13 -0.181 2.732 6.748 88 HD13 ILE 13 3HD1 ILE 13 0.899 2.790 8.140 89 H LYS 14 H LYS 14 -4.748 4.533 9.837 90 HA LYS 14 HA LYS 14 -5.267 3.259 12.304 91 HB2 LYS 14 2HB LYS 14 -5.740 5.710 11.482 92 HB3 LYS 14 3HB LYS 14 -7.290 5.036 10.994 93 HG2 LYS 14 2HG LYS 14 -7.766 4.373 13.259 94 HG3 LYS 14 3HG LYS 14 -6.162 4.890 13.783 95 HD2 LYS 14 2HD LYS 14 -6.711 7.097 13.742 96 HD3 LYS 14 3HD LYS 14 -7.841 6.902 12.399 97 HE2 LYS 14 2HE LYS 14 -8.495 5.700 15.052 98 HE3 LYS 14 3HE LYS 14 -8.709 7.435 14.816 99 HZ1 LYS 14 1HZ LYS 14 -10.627 5.759 14.295 100 HZ2 LYS 14 2HZ LYS 14 -9.822 5.604 12.815 101 HZ3 LYS 14 3HZ LYS 14 -10.382 7.118 13.319 102 H ARG 15 H ARG 15 -7.006 3.264 9.212 103 HA ARG 15 HA ARG 15 -9.204 1.727 10.027 104 HB2 ARG 15 2HB ARG 15 -7.893 2.029 7.323 105 HB3 ARG 15 3HB ARG 15 -9.408 1.172 7.577 106 HG2 ARG 15 2HG ARG 15 -9.214 3.943 8.608 107 HG3 ARG 15 3HG ARG 15 -9.321 3.719 6.861 108 HD2 ARG 15 2HD ARG 15 -11.479 3.134 6.962 109 HD3 ARG 15 3HD ARG 15 -11.215 2.076 8.347 110 HE ARG 15 HE ARG 15 -11.072 4.609 9.367 111 HH11 ARG 15 1HH1 ARG 15 -13.430 2.797 7.556 112 HH12 ARG 15 2HH1 ARG 15 -14.786 3.628 8.240 113 HH21 ARG 15 1HH2 ARG 15 -12.851 5.712 10.275 114 HH22 ARG 15 2HH2 ARG 15 -14.456 5.287 9.785 115 H CYS 16 H CYS 16 -6.204 0.708 8.398 116 HA CYS 16 HA CYS 16 -6.781 -2.046 8.420 117 HB2 CYS 16 2HB CYS 16 -5.027 -0.891 7.023 118 HB3 CYS 16 3HB CYS 16 -4.028 -0.804 8.469 119 HG CYS 16 HG CYS 16 -2.910 -3.067 8.059 120 H SER 17 H SER 17 -5.567 0.095 10.852 121 HA SER 17 HA SER 17 -4.217 -1.667 12.529 122 HB2 SER 17 2HB SER 17 -4.403 0.859 12.753 123 HB3 SER 17 3HB SER 17 -5.974 0.587 13.507 124 HG SER 17 HG SER 17 -4.713 0.522 15.226 125 H ASN 18 H ASN 18 -7.598 -1.347 11.885 126 HA ASN 18 HA ASN 18 -8.317 -2.988 14.194 127 HB2 ASN 18 2HB ASN 18 -9.621 -0.894 13.397 128 HB3 ASN 18 3HB ASN 18 -10.258 -1.954 12.143 129 HD21 ASN 18 1HD2 ASN 18 -9.575 -2.321 15.608 130 HD22 ASN 18 2HD2 ASN 18 -11.145 -2.909 16.027 131 H VAL 19 H VAL 19 -6.784 -4.028 11.895 132 HA VAL 19 HA VAL 19 -8.690 -6.071 10.953 133 HB VAL 19 HB VAL 19 -6.125 -5.226 9.599 134 HG11 VAL 19 1HG1 VAL 19 -6.407 -6.923 8.175 135 HG12 VAL 19 2HG1 VAL 19 -7.528 -7.585 9.367 136 HG13 VAL 19 3HG1 VAL 19 -8.138 -6.618 8.024 137 HG21 VAL 19 1HG2 VAL 19 -8.978 -4.568 8.869 138 HG22 VAL 19 2HG2 VAL 19 -7.801 -3.438 9.540 139 HG23 VAL 19 3HG2 VAL 19 -7.541 -4.136 7.941 140 H ALA 20 H ALA 20 -8.310 -8.133 11.473 141 HA ALA 20 HA ALA 20 -5.969 -8.745 13.087 142 HB1 ALA 20 1HB ALA 20 -7.260 -11.049 13.131 143 HB2 ALA 20 2HB ALA 20 -7.773 -9.683 14.124 144 HB3 ALA 20 3HB ALA 20 -8.604 -10.034 12.608 145 H VAL 21 H VAL 21 -4.174 -9.234 11.992 146 HA VAL 21 HA VAL 21 -4.009 -10.158 9.372 147 HB VAL 21 HB VAL 21 -1.973 -10.723 11.526 148 HG11 VAL 21 1HG1 VAL 21 -0.470 -10.287 9.443 149 HG12 VAL 21 2HG1 VAL 21 -1.249 -11.857 9.651 150 HG13 VAL 21 3HG1 VAL 21 -1.935 -10.671 8.540 151 HG21 VAL 21 1HG2 VAL 21 -2.909 -8.200 10.476 152 HG22 VAL 21 2HG2 VAL 21 -1.783 -8.520 11.795 153 HG23 VAL 21 3HG2 VAL 21 -1.196 -8.441 10.134 154 H GLY 22 H GLY 22 -4.537 -11.889 12.343 155 HA2 GLY 22 2HA GLY 22 -4.291 -14.447 10.893 156 HA3 GLY 22 3HA GLY 22 -4.147 -14.267 12.635 157 H VAL 23 H VAL 23 -6.118 -15.370 10.274 158 HA VAL 23 HA VAL 23 -8.676 -14.493 10.873 159 HB VAL 23 HB VAL 23 -9.461 -16.721 10.064 160 HG11 VAL 23 1HG1 VAL 23 -7.428 -15.162 8.498 161 HG12 VAL 23 2HG1 VAL 23 -8.332 -16.500 7.787 162 HG13 VAL 23 3HG1 VAL 23 -9.187 -15.085 8.404 163 HG21 VAL 23 1HG2 VAL 23 -6.661 -17.455 9.392 164 HG22 VAL 23 2HG2 VAL 23 -7.232 -17.769 11.030 165 HG23 VAL 23 3HG2 VAL 23 -8.069 -18.485 9.652 166 H GLY 24 H GLY 24 -10.376 -15.433 12.138 167 HA2 GLY 24 2HA GLY 24 -11.255 -16.673 13.912 168 HA3 GLY 24 3HA GLY 24 -9.650 -17.315 14.229 169 H GLY 25 H GLY 25 -11.966 -14.900 15.022 170 HA2 GLY 25 2HA GLY 25 -12.076 -13.502 16.849 171 HA3 GLY 25 3HA GLY 25 -10.596 -14.244 17.436 172 H LYS 26 H LYS 26 -10.557 -11.780 18.037 173 HA LYS 26 HA LYS 26 -8.925 -10.461 15.975 174 HB2 LYS 26 2HB LYS 26 -10.848 -9.051 17.830 175 HB3 LYS 26 3HB LYS 26 -9.865 -8.306 16.577 176 HG2 LYS 26 2HG LYS 26 -11.498 -8.605 15.119 177 HG3 LYS 26 3HG LYS 26 -11.406 -10.350 15.363 178 HD2 LYS 26 2HD LYS 26 -12.827 -8.791 17.439 179 HD3 LYS 26 3HD LYS 26 -13.614 -8.913 15.863 180 HE2 LYS 26 2HE LYS 26 -14.253 -10.996 16.297 181 HE3 LYS 26 3HE LYS 26 -12.590 -11.476 16.630 182 HZ1 LYS 26 1HZ LYS 26 -14.159 -11.821 18.505 183 HZ2 LYS 26 2HZ LYS 26 -14.345 -10.144 18.615 184 HZ3 LYS 26 3HZ LYS 26 -12.832 -10.846 18.896 185 H SER 27 H SER 27 -7.060 -11.242 17.041 186 HA SER 27 HA SER 27 -6.509 -9.918 19.616 187 HB2 SER 27 2HB SER 27 -4.761 -12.169 19.056 188 HB3 SER 27 3HB SER 27 -5.759 -11.854 20.476 189 HG SER 27 HG SER 27 -6.317 -13.351 18.197 190 H LYS 28 H LYS 28 -4.858 -11.290 16.768 191 HA LYS 28 HA LYS 28 -2.643 -9.443 17.127 192 HB2 LYS 28 2HB LYS 28 -3.161 -11.716 15.215 193 HB3 LYS 28 3HB LYS 28 -1.773 -10.649 15.047 194 HG2 LYS 28 2HG LYS 28 -0.655 -11.663 16.687 195 HG3 LYS 28 3HG LYS 28 -2.071 -11.724 17.738 196 HD2 LYS 28 2HD LYS 28 -2.874 -13.602 16.151 197 HD3 LYS 28 3HD LYS 28 -1.187 -13.674 15.640 198 HE2 LYS 28 2HE LYS 28 -1.072 -13.624 18.415 199 HE3 LYS 28 3HE LYS 28 -2.438 -14.677 18.051 200 HZ1 LYS 28 1HZ LYS 28 0.150 -15.020 16.674 201 HZ2 LYS 28 2HZ LYS 28 -1.096 -16.144 16.883 202 HZ3 LYS 28 3HZ LYS 28 -0.121 -15.709 18.195 203 H LYS 29 H LYS 29 -3.811 -7.487 16.724 204 HA LYS 29 HA LYS 29 -5.038 -7.043 14.161 205 HB2 LYS 29 2HB LYS 29 -5.517 -4.851 14.937 206 HB3 LYS 29 3HB LYS 29 -5.716 -5.916 16.322 207 HG2 LYS 29 2HG LYS 29 -3.117 -5.203 16.593 208 HG3 LYS 29 3HG LYS 29 -3.798 -3.745 15.866 209 HD2 LYS 29 2HD LYS 29 -5.136 -3.307 17.667 210 HD3 LYS 29 3HD LYS 29 -5.284 -5.010 18.109 211 HE2 LYS 29 2HE LYS 29 -2.957 -4.983 18.905 212 HE3 LYS 29 3HE LYS 29 -2.849 -3.271 18.501 213 HZ1 LYS 29 1HZ LYS 29 -4.669 -2.863 20.080 214 HZ2 LYS 29 2HZ LYS 29 -3.303 -3.520 20.828 215 HZ3 LYS 29 3HZ LYS 29 -4.649 -4.497 20.519 216 H PHE 30 H PHE 30 -4.342 -5.056 12.872 217 HA PHE 30 HA PHE 30 -1.542 -5.399 12.199 218 HB2 PHE 30 2HB PHE 30 -3.944 -4.512 10.827 219 HB3 PHE 30 3HB PHE 30 -2.597 -3.416 10.544 220 HD1 PHE 30 HD1 PHE 30 -0.278 -4.972 10.295 221 HD2 PHE 30 HD2 PHE 30 -4.237 -5.966 9.088 222 HE1 PHE 30 HE1 PHE 30 0.628 -6.519 8.610 223 HE2 PHE 30 HE2 PHE 30 -3.336 -7.516 7.402 224 HZ PHE 30 HZ PHE 30 -0.901 -7.794 7.161 225 H GLY 31 H GLY 31 -0.381 -3.283 11.496 226 HA2 GLY 31 2HA GLY 31 -0.995 -0.915 12.990 227 HA3 GLY 31 3HA GLY 31 0.324 -1.827 13.708 228 H GLU 32 H GLU 32 0.822 0.700 12.889 229 HA GLU 32 HA GLU 32 1.617 1.111 10.261 230 HB2 GLU 32 2HB GLU 32 1.639 2.626 12.498 231 HB3 GLU 32 3HB GLU 32 3.355 2.274 12.356 232 HG2 GLU 32 2HG GLU 32 2.411 3.011 9.791 233 HG3 GLU 32 3HG GLU 32 1.811 4.193 10.953 234 H GLY 33 H GLY 33 3.431 -0.293 12.965 235 HA2 GLY 33 2HA GLY 33 5.896 -0.567 11.632 236 HA3 GLY 33 3HA GLY 33 5.377 -1.509 13.022 237 H ASN 34 H ASN 34 3.317 -2.975 12.145 238 HA ASN 34 HA ASN 34 4.530 -5.055 10.727 239 HB2 ASN 34 2HB ASN 34 1.557 -4.557 10.972 240 HB3 ASN 34 3HB ASN 34 2.351 -6.102 10.683 241 HD21 ASN 34 1HD2 ASN 34 1.745 -3.586 13.024 242 HD22 ASN 34 2HD2 ASN 34 2.131 -4.523 14.422 243 H PHE 35 H PHE 35 2.175 -2.626 9.636 244 HA PHE 35 HA PHE 35 1.824 -3.482 7.031 245 HB2 PHE 35 2HB PHE 35 0.453 -1.715 7.896 246 HB3 PHE 35 3HB PHE 35 1.854 -0.685 8.172 247 HD1 PHE 35 HD1 PHE 35 1.792 1.139 6.787 248 HD2 PHE 35 HD2 PHE 35 0.657 -2.660 5.240 249 HE1 PHE 35 HE1 PHE 35 1.494 2.139 4.558 250 HE2 PHE 35 HE2 PHE 35 0.357 -1.667 3.009 251 HZ PHE 35 HZ PHE 35 0.776 0.735 2.666 252 H ARG 36 H ARG 36 4.374 -1.427 8.369 253 HA ARG 36 HA ARG 36 5.625 -0.831 5.905 254 HB2 ARG 36 2HB ARG 36 6.764 -0.884 8.706 255 HB3 ARG 36 3HB ARG 36 7.571 -0.191 7.306 256 HG2 ARG 36 2HG ARG 36 4.869 0.833 7.735 257 HG3 ARG 36 3HG ARG 36 5.990 1.174 9.055 258 HD2 ARG 36 2HD ARG 36 7.002 1.625 6.316 259 HD3 ARG 36 3HD ARG 36 5.744 2.725 6.876 260 HE ARG 36 HE ARG 36 7.524 2.695 8.924 261 HH11 ARG 36 1HH1 ARG 36 7.786 3.286 5.502 262 HH12 ARG 36 2HH1 ARG 36 9.118 4.381 5.662 263 HH21 ARG 36 1HH2 ARG 36 9.278 4.136 9.146 264 HH22 ARG 36 2HH2 ARG 36 9.968 4.863 7.734 265 H TRP 37 H TRP 37 6.244 -3.320 8.358 266 HA TRP 37 HA TRP 37 8.520 -4.459 7.242 267 HB2 TRP 37 2HB TRP 37 7.827 -5.108 9.444 268 HB3 TRP 37 3HB TRP 37 6.283 -5.708 8.844 269 HD1 TRP 37 HD1 TRP 37 9.847 -6.757 9.438 270 HE1 TRP 37 HE1 TRP 37 10.137 -9.230 8.786 271 HE3 TRP 37 HE3 TRP 37 5.376 -7.502 7.073 272 HZ2 TRP 37 HZ2 TRP 37 8.666 -11.232 7.445 273 HZ3 TRP 37 HZ3 TRP 37 4.895 -9.724 6.133 274 HH2 TRP 37 HH2 TRP 37 6.507 -11.548 6.316 275 H ALA 38 H ALA 38 5.154 -4.819 6.367 276 HA ALA 38 HA ALA 38 5.523 -7.092 4.675 277 HB1 ALA 38 1HB ALA 38 3.337 -6.968 5.296 278 HB2 ALA 38 2HB ALA 38 3.310 -5.205 5.261 279 HB3 ALA 38 3HB ALA 38 3.235 -6.118 3.754 280 H ILE 39 H ILE 39 4.812 -3.673 3.923 281 HA ILE 39 HA ILE 39 5.189 -3.858 1.166 282 HB ILE 39 HB ILE 39 4.123 -1.919 2.139 283 HG12 ILE 39 2HG1 ILE 39 6.714 -1.003 0.883 284 HG13 ILE 39 3HG1 ILE 39 5.404 -1.736 -0.035 285 HG21 ILE 39 1HG2 ILE 39 5.280 -0.289 3.465 286 HG22 ILE 39 2HG2 ILE 39 5.504 -1.874 4.205 287 HG23 ILE 39 3HG2 ILE 39 6.808 -1.146 3.266 288 HD11 ILE 39 1HD1 ILE 39 4.531 0.478 1.638 289 HD12 ILE 39 2HD1 ILE 39 5.733 0.935 0.431 290 HD13 ILE 39 3HD1 ILE 39 4.232 0.154 -0.068 291 H ARG 40 H ARG 40 7.501 -3.216 3.756 292 HA ARG 40 HA ARG 40 9.696 -2.519 2.149 293 HB2 ARG 40 2HB ARG 40 9.640 -2.123 4.565 294 HB3 ARG 40 3HB ARG 40 9.662 -3.857 4.859 295 HG2 ARG 40 2HG ARG 40 11.878 -3.987 3.802 296 HG3 ARG 40 3HG ARG 40 11.856 -2.237 3.583 297 HD2 ARG 40 2HD ARG 40 11.307 -2.392 6.214 298 HD3 ARG 40 3HD ARG 40 12.289 -3.844 6.019 299 HE ARG 40 HE ARG 40 13.196 -1.138 5.963 300 HH11 ARG 40 1HH1 ARG 40 13.794 -4.327 4.702 301 HH12 ARG 40 2HH1 ARG 40 15.480 -4.043 4.421 302 HH21 ARG 40 1HH2 ARG 40 15.415 -0.751 5.598 303 HH22 ARG 40 2HH2 ARG 40 16.400 -2.008 4.933 304 H MET 41 H MET 41 8.875 -5.655 3.636 305 HA MET 41 HA MET 41 10.966 -7.098 2.427 306 HB2 MET 41 2HB MET 41 8.343 -7.891 3.657 307 HB3 MET 41 3HB MET 41 9.378 -9.092 2.897 308 HG2 MET 41 2HG MET 41 10.501 -7.258 4.964 309 HG3 MET 41 3HG MET 41 9.541 -8.655 5.448 310 HE1 MET 41 1HE MET 41 11.241 -11.643 4.273 311 HE2 MET 41 2HE MET 41 11.330 -11.148 5.963 312 HE3 MET 41 3HE MET 41 9.871 -10.825 5.025 313 H ALA 42 H ALA 42 7.601 -6.568 1.457 314 HA ALA 42 HA ALA 42 7.543 -8.269 -0.758 315 HB1 ALA 42 1HB ALA 42 6.060 -5.662 -0.455 316 HB2 ALA 42 2HB ALA 42 5.621 -7.017 -1.494 317 HB3 ALA 42 3HB ALA 42 5.558 -7.195 0.259 318 H ASN 43 H ASN 43 8.557 -4.891 -0.475 319 HA ASN 43 HA ASN 43 8.939 -4.383 -3.210 320 HB2 ASN 43 2HB ASN 43 10.232 -3.191 -0.753 321 HB3 ASN 43 3HB ASN 43 10.524 -2.588 -2.382 322 HD21 ASN 43 1HD2 ASN 43 9.412 -1.103 -0.257 323 HD22 ASN 43 2HD2 ASN 43 7.799 -0.669 -0.701 324 H VAL 44 H VAL 44 11.314 -5.326 -0.723 325 HA VAL 44 HA VAL 44 13.519 -5.555 -2.426 326 HB VAL 44 HB VAL 44 12.964 -7.099 0.111 327 HG11 VAL 44 1HG1 VAL 44 14.756 -8.254 -0.665 328 HG12 VAL 44 2HG1 VAL 44 15.310 -6.926 -1.687 329 HG13 VAL 44 3HG1 VAL 44 15.623 -6.895 0.049 330 HG21 VAL 44 1HG2 VAL 44 14.502 -4.535 -0.294 331 HG22 VAL 44 2HG2 VAL 44 12.873 -4.647 0.376 332 HG23 VAL 44 3HG2 VAL 44 14.233 -5.371 1.237 333 H SER 45 H SER 45 11.145 -7.984 -1.404 334 HA SER 45 HA SER 45 12.282 -10.223 -2.599 335 HB2 SER 45 2HB SER 45 10.238 -10.077 -1.045 336 HB3 SER 45 3HB SER 45 9.303 -9.765 -2.507 337 HG SER 45 HG SER 45 10.983 -12.022 -2.126 338 H THR 46 H THR 46 10.624 -7.537 -4.014 339 HA THR 46 HA THR 46 10.372 -8.915 -6.587 340 HB THR 46 HB THR 46 9.358 -6.527 -7.165 341 HG1 THR 46 HG1 THR 46 9.630 -5.471 -5.258 342 HG21 THR 46 1HG2 THR 46 8.090 -8.838 -5.734 343 HG22 THR 46 2HG2 THR 46 7.971 -8.382 -7.433 344 HG23 THR 46 3HG2 THR 46 7.133 -7.434 -6.205 345 H GLY 47 H GLY 47 12.328 -6.616 -4.931 346 HA2 GLY 47 2HA GLY 47 14.369 -5.737 -5.591 347 HA3 GLY 47 3HA GLY 47 14.137 -6.472 -7.171 348 H ARG 48 H ARG 48 11.861 -4.294 -5.603 349 HA ARG 48 HA ARG 48 12.171 -2.456 -7.861 350 HB2 ARG 48 2HB ARG 48 10.013 -2.608 -5.749 351 HB3 ARG 48 3HB ARG 48 10.022 -1.509 -7.122 352 HG2 ARG 48 2HG ARG 48 10.207 -3.720 -8.507 353 HG3 ARG 48 3HG ARG 48 9.534 -4.444 -7.045 354 HD2 ARG 48 2HD ARG 48 7.570 -3.924 -8.029 355 HD3 ARG 48 3HD ARG 48 7.884 -2.341 -7.320 356 HE ARG 48 HE ARG 48 9.097 -2.298 -9.786 357 HH11 ARG 48 1HH1 ARG 48 5.872 -2.800 -8.575 358 HH12 ARG 48 2HH1 ARG 48 5.101 -2.159 -9.988 359 HH21 ARG 48 1HH2 ARG 48 8.094 -1.451 -11.652 360 HH22 ARG 48 2HH2 ARG 48 6.366 -1.392 -11.737 361 H GLU 49 H GLU 49 14.280 -2.302 -6.155 362 HA GLU 49 HA GLU 49 15.539 -0.813 -4.984 363 HB2 GLU 49 2HB GLU 49 13.492 0.820 -6.297 364 HB3 GLU 49 3HB GLU 49 14.151 1.560 -4.845 365 HG2 GLU 49 2HG GLU 49 15.843 2.276 -6.073 366 HG3 GLU 49 3HG GLU 49 16.369 0.600 -6.218 367 HA PRO 50 HA PRO 50 14.173 -0.820 -0.816 368 HB2 PRO 50 2HB PRO 50 15.516 1.288 0.243 369 HB3 PRO 50 3HB PRO 50 16.309 -0.224 -0.215 370 HG2 PRO 50 2HG PRO 50 16.149 2.363 -1.714 371 HG3 PRO 50 3HG PRO 50 17.538 1.284 -1.491 372 HD2 PRO 50 2HD PRO 50 16.065 1.311 -3.763 373 HD3 PRO 50 3HD PRO 50 16.840 -0.162 -3.146 374 H GLY 51 H GLY 51 14.246 2.514 -2.101 375 HA2 GLY 51 2HA GLY 51 12.089 3.328 -0.358 376 HA3 GLY 51 3HA GLY 51 12.884 4.319 -1.573 377 H ASP 52 H ASP 52 10.530 1.713 -1.146 378 HA ASP 52 HA ASP 52 9.245 2.584 -3.652 379 HB2 ASP 52 2HB ASP 52 10.062 -0.013 -2.807 380 HB3 ASP 52 3HB ASP 52 8.302 0.010 -2.871 381 H ILE 53 H ILE 53 7.824 4.072 -2.843 382 HA ILE 53 HA ILE 53 5.902 3.107 -0.828 383 HB ILE 53 HB ILE 53 6.510 5.986 -1.499 384 HG12 ILE 53 2HG1 ILE 53 7.481 4.309 0.825 385 HG13 ILE 53 3HG1 ILE 53 8.475 4.900 -0.503 386 HG21 ILE 53 1HG2 ILE 53 5.388 5.477 1.102 387 HG22 ILE 53 2HG2 ILE 53 4.796 6.519 -0.190 388 HG23 ILE 53 3HG2 ILE 53 4.358 4.811 -0.164 389 HD11 ILE 53 1HD1 ILE 53 7.057 6.592 1.542 390 HD12 ILE 53 2HD1 ILE 53 8.787 6.254 1.475 391 HD13 ILE 53 3HD1 ILE 53 8.023 7.200 0.197 392 HA PRO 54 HA PRO 54 3.595 3.519 -4.838 393 HB2 PRO 54 2HB PRO 54 2.231 1.189 -4.559 394 HB3 PRO 54 3HB PRO 54 3.837 1.280 -5.291 395 HG2 PRO 54 2HG PRO 54 3.065 0.499 -2.506 396 HG3 PRO 54 3HG PRO 54 4.252 -0.250 -3.590 397 HD2 PRO 54 2HD PRO 54 4.964 1.430 -1.589 398 HD3 PRO 54 3HD PRO 54 5.868 1.322 -3.113 399 H GLU 55 H GLU 55 1.859 4.788 -4.755 400 HA GLU 55 HA GLU 55 -0.075 4.388 -2.567 401 HB2 GLU 55 2HB GLU 55 0.381 7.001 -3.994 402 HB3 GLU 55 3HB GLU 55 -0.480 6.724 -2.486 403 HG2 GLU 55 2HG GLU 55 1.418 7.454 -1.554 404 HG3 GLU 55 3HG GLU 55 1.965 5.801 -1.825 405 H THR 56 H THR 56 -0.486 2.845 -4.697 406 HA THR 56 HA THR 56 -2.921 3.963 -5.830 407 HB THR 56 HB THR 56 -2.378 3.378 -8.123 408 HG1 THR 56 HG1 THR 56 -0.581 2.324 -8.647 409 HG21 THR 56 1HG2 THR 56 -0.794 5.119 -8.620 410 HG22 THR 56 2HG2 THR 56 -0.141 5.053 -6.983 411 HG23 THR 56 3HG2 THR 56 -1.781 5.640 -7.254 412 H LEU 57 H LEU 57 -4.491 2.469 -6.046 413 HA LEU 57 HA LEU 57 -4.349 -0.007 -4.839 414 HB2 LEU 57 2HB LEU 57 -6.365 1.412 -5.724 415 HB3 LEU 57 3HB LEU 57 -6.193 0.393 -7.151 416 HG LEU 57 HG LEU 57 -6.367 -0.993 -4.541 417 HD11 LEU 57 1HD1 LEU 57 -8.315 -0.159 -3.899 418 HD12 LEU 57 2HD1 LEU 57 -9.020 -0.572 -5.462 419 HD13 LEU 57 3HD1 LEU 57 -8.259 1.001 -5.227 420 HD21 LEU 57 1HD2 LEU 57 -7.746 -2.523 -5.895 421 HD22 LEU 57 2HD2 LEU 57 -6.148 -2.255 -6.592 422 HD23 LEU 57 3HD2 LEU 57 -7.557 -1.442 -7.276 423 H ASP 58 H ASP 58 -3.569 0.891 -8.125 424 HA ASP 58 HA ASP 58 -3.479 -1.731 -9.204 425 HB2 ASP 58 2HB ASP 58 -3.572 0.500 -10.467 426 HB3 ASP 58 3HB ASP 58 -1.834 0.591 -10.194 427 H GLN 59 H GLN 59 -0.951 0.430 -7.944 428 HA GLN 59 HA GLN 59 1.245 -1.215 -8.382 429 HB2 GLN 59 2HB GLN 59 0.637 0.949 -6.408 430 HB3 GLN 59 3HB GLN 59 2.112 0.010 -6.221 431 HG2 GLN 59 2HG GLN 59 2.801 0.642 -8.478 432 HG3 GLN 59 3HG GLN 59 1.324 1.586 -8.662 433 HE21 GLN 59 1HE2 GLN 59 0.992 3.292 -6.989 434 HE22 GLN 59 2HE2 GLN 59 2.380 4.186 -6.480 435 H LEU 60 H LEU 60 -1.030 -1.152 -5.681 436 HA LEU 60 HA LEU 60 0.319 -2.982 -4.024 437 HB2 LEU 60 2HB LEU 60 -2.560 -2.167 -4.264 438 HB3 LEU 60 3HB LEU 60 -2.035 -3.376 -3.095 439 HG LEU 60 HG LEU 60 -0.536 -0.854 -2.992 440 HD11 LEU 60 1HD1 LEU 60 -2.760 -0.173 -1.529 441 HD12 LEU 60 2HD1 LEU 60 -3.445 -0.834 -3.013 442 HD13 LEU 60 3HD1 LEU 60 -2.300 0.505 -3.090 443 HD21 LEU 60 1HD2 LEU 60 -1.899 -1.728 -0.599 444 HD22 LEU 60 2HD2 LEU 60 -0.171 -1.575 -0.920 445 HD23 LEU 60 3HD2 LEU 60 -1.025 -3.054 -1.365 446 H ARG 61 H ARG 61 -2.432 -3.512 -6.233 447 HA ARG 61 HA ARG 61 -2.592 -6.278 -5.934 448 HB2 ARG 61 2HB ARG 61 -4.363 -5.043 -7.014 449 HB3 ARG 61 3HB ARG 61 -3.280 -4.535 -8.303 450 HG2 ARG 61 2HG ARG 61 -3.039 -6.935 -8.943 451 HG3 ARG 61 3HG ARG 61 -4.297 -7.313 -7.764 452 HD2 ARG 61 2HD ARG 61 -5.928 -6.595 -9.117 453 HD3 ARG 61 3HD ARG 61 -5.031 -5.145 -9.565 454 HE ARG 61 HE ARG 61 -5.182 -7.605 -11.029 455 HH11 ARG 61 1HH1 ARG 61 -3.244 -4.781 -10.401 456 HH12 ARG 61 2HH1 ARG 61 -2.407 -4.858 -11.916 457 HH21 ARG 61 1HH2 ARG 61 -4.087 -7.718 -13.027 458 HH22 ARG 61 2HH2 ARG 61 -2.889 -6.528 -13.410 459 H LEU 62 H LEU 62 -0.313 -4.343 -7.650 460 HA LEU 62 HA LEU 62 0.596 -6.388 -9.435 461 HB2 LEU 62 2HB LEU 62 1.270 -3.617 -8.812 462 HB3 LEU 62 3HB LEU 62 2.675 -4.606 -9.205 463 HG LEU 62 HG LEU 62 0.251 -4.264 -10.971 464 HD11 LEU 62 1HD1 LEU 62 1.449 -2.721 -12.241 465 HD12 LEU 62 2HD1 LEU 62 2.984 -3.142 -11.481 466 HD13 LEU 62 3HD1 LEU 62 1.772 -2.236 -10.575 467 HD21 LEU 62 1HD2 LEU 62 2.109 -6.298 -10.946 468 HD22 LEU 62 2HD2 LEU 62 2.742 -5.184 -12.159 469 HD23 LEU 62 3HD2 LEU 62 1.106 -5.823 -12.318 470 H VAL 63 H VAL 63 2.202 -4.802 -6.668 471 HA VAL 63 HA VAL 63 4.356 -6.504 -6.422 472 HB VAL 63 HB VAL 63 4.226 -4.462 -5.131 473 HG11 VAL 63 1HG1 VAL 63 1.966 -5.826 -3.676 474 HG12 VAL 63 2HG1 VAL 63 2.760 -4.353 -3.117 475 HG13 VAL 63 3HG1 VAL 63 1.881 -4.356 -4.646 476 HG21 VAL 63 1HG2 VAL 63 5.540 -5.272 -3.512 477 HG22 VAL 63 2HG2 VAL 63 4.257 -6.286 -2.852 478 HG23 VAL 63 3HG2 VAL 63 5.213 -6.855 -4.220 479 H ILE 64 H ILE 64 1.048 -6.995 -5.430 480 HA ILE 64 HA ILE 64 1.524 -9.206 -3.705 481 HB ILE 64 HB ILE 64 -0.984 -8.414 -5.191 482 HG12 ILE 64 2HG1 ILE 64 -0.543 -8.074 -2.249 483 HG13 ILE 64 3HG1 ILE 64 0.155 -6.902 -3.361 484 HG21 ILE 64 1HG2 ILE 64 -1.605 -9.856 -2.863 485 HG22 ILE 64 2HG2 ILE 64 -1.848 -10.350 -4.538 486 HG23 ILE 64 3HG2 ILE 64 -0.356 -10.778 -3.700 487 HD11 ILE 64 1HD1 ILE 64 -2.536 -7.135 -2.413 488 HD12 ILE 64 2HD1 ILE 64 -1.781 -5.841 -3.345 489 HD13 ILE 64 3HD1 ILE 64 -2.497 -7.223 -4.173 490 H CYS 65 H CYS 65 0.110 -9.093 -6.982 491 HA CYS 65 HA CYS 65 0.105 -11.843 -7.431 492 HB2 CYS 65 2HB CYS 65 -1.135 -10.292 -8.847 493 HB3 CYS 65 3HB CYS 65 0.369 -9.589 -9.430 494 HG CYS 65 HG CYS 65 1.046 -11.502 -11.125 495 H ASP 66 H ASP 66 2.678 -9.516 -7.651 496 HA ASP 66 HA ASP 66 4.446 -11.202 -9.160 497 HB2 ASP 66 2HB ASP 66 5.102 -8.755 -7.507 498 HB3 ASP 66 3HB ASP 66 6.127 -9.494 -8.734 499 H LEU 67 H LEU 67 4.726 -9.914 -5.843 500 HA LEU 67 HA LEU 67 6.749 -11.573 -4.966 501 HB2 LEU 67 2HB LEU 67 6.132 -9.746 -3.613 502 HB3 LEU 67 3HB LEU 67 4.458 -10.287 -3.510 503 HG LEU 67 HG LEU 67 5.144 -12.144 -2.075 504 HD11 LEU 67 1HD1 LEU 67 7.607 -11.719 -1.147 505 HD12 LEU 67 2HD1 LEU 67 7.837 -11.164 -2.804 506 HD13 LEU 67 3HD1 LEU 67 7.268 -12.805 -2.495 507 HD21 LEU 67 1HD2 LEU 67 6.185 -10.570 -0.214 508 HD22 LEU 67 2HD2 LEU 67 4.499 -10.436 -0.714 509 HD23 LEU 67 3HD2 LEU 67 5.701 -9.318 -1.360 510 H GLN 68 H GLN 68 3.277 -12.181 -5.066 511 HA GLN 68 HA GLN 68 3.365 -14.639 -3.644 512 HB2 GLN 68 2HB GLN 68 1.338 -13.126 -4.096 513 HB3 GLN 68 3HB GLN 68 1.266 -13.904 -5.671 514 HG2 GLN 68 2HG GLN 68 1.476 -15.943 -3.724 515 HG3 GLN 68 3HG GLN 68 0.240 -14.809 -3.183 516 HE21 GLN 68 1HE2 GLN 68 1.253 -16.858 -5.850 517 HE22 GLN 68 2HE2 GLN 68 -0.320 -17.067 -6.532 518 H GLU 69 H GLU 69 3.309 -13.830 -7.099 519 HA GLU 69 HA GLU 69 3.158 -16.381 -8.162 520 HB2 GLU 69 2HB GLU 69 4.174 -13.767 -9.094 521 HB3 GLU 69 3HB GLU 69 4.791 -15.170 -9.954 522 HG2 GLU 69 2HG GLU 69 2.617 -15.841 -10.606 523 HG3 GLU 69 3HG GLU 69 1.861 -14.681 -9.516 524 H ARG 70 H ARG 70 6.002 -14.594 -7.050 525 HA ARG 70 HA ARG 70 7.905 -16.533 -7.859 526 HB2 ARG 70 2HB ARG 70 7.984 -13.971 -6.772 527 HB3 ARG 70 3HB ARG 70 8.709 -14.988 -5.533 528 HG2 ARG 70 2HG ARG 70 10.421 -15.706 -6.968 529 HG3 ARG 70 3HG ARG 70 9.578 -15.113 -8.400 530 HD2 ARG 70 2HD ARG 70 10.261 -12.978 -8.085 531 HD3 ARG 70 3HD ARG 70 10.198 -13.106 -6.328 532 HE ARG 70 HE ARG 70 12.475 -13.532 -8.003 533 HH11 ARG 70 1HH1 ARG 70 10.971 -14.452 -4.999 534 HH12 ARG 70 2HH1 ARG 70 12.464 -14.891 -4.236 535 HH21 ARG 70 1HH2 ARG 70 14.445 -14.108 -7.009 536 HH22 ARG 70 2HH2 ARG 70 14.439 -14.694 -5.380 537 H ARG 71 H ARG 71 6.351 -15.854 -4.735 538 HA ARG 71 HA ARG 71 7.652 -17.861 -3.266 539 HB2 ARG 71 2HB ARG 71 6.492 -16.131 -2.092 540 HB3 ARG 71 3HB ARG 71 4.976 -16.518 -2.894 541 HG2 ARG 71 2HG ARG 71 6.204 -18.697 -1.335 542 HG3 ARG 71 3HG ARG 71 5.601 -17.319 -0.412 543 HD2 ARG 71 2HD ARG 71 3.909 -18.587 -2.530 544 HD3 ARG 71 3HD ARG 71 4.015 -19.306 -0.923 545 HE ARG 71 HE ARG 71 3.440 -16.617 -0.571 546 HH11 ARG 71 1HH1 ARG 71 1.952 -19.412 -2.019 547 HH12 ARG 71 2HH1 ARG 71 0.335 -18.859 -1.737 548 HH21 ARG 71 1HH2 ARG 71 1.314 -15.879 -0.193 549 HH22 ARG 71 2HH2 ARG 71 -0.027 -16.849 -0.699 550 H GLU 72 H GLU 72 4.818 -17.933 -5.329 551 HA GLU 72 HA GLU 72 3.840 -20.463 -4.541 552 HB2 GLU 72 2HB GLU 72 3.102 -18.462 -6.372 553 HB3 GLU 72 3HB GLU 72 3.330 -19.919 -7.329 554 HG2 GLU 72 2HG GLU 72 1.856 -21.059 -5.560 555 HG3 GLU 72 3HG GLU 72 1.406 -19.420 -5.093 556 H LYS 73 H LYS 73 5.776 -19.526 -7.386 557 HA LYS 73 HA LYS 73 6.202 -22.053 -8.433 558 HB2 LYS 73 2HB LYS 73 7.374 -19.416 -8.733 559 HB3 LYS 73 3HB LYS 73 8.590 -20.678 -8.889 560 HG2 LYS 73 2HG LYS 73 6.607 -21.684 -10.436 561 HG3 LYS 73 3HG LYS 73 6.379 -19.950 -10.673 562 HD2 LYS 73 2HD LYS 73 8.455 -19.675 -11.643 563 HD3 LYS 73 3HD LYS 73 9.127 -21.103 -10.854 564 HE2 LYS 73 2HE LYS 73 7.614 -22.491 -12.296 565 HE3 LYS 73 3HE LYS 73 7.205 -21.017 -13.172 566 HZ1 LYS 73 1HZ LYS 73 9.475 -20.766 -13.834 567 HZ2 LYS 73 2HZ LYS 73 8.982 -22.334 -14.231 568 HZ3 LYS 73 3HZ LYS 73 9.963 -22.073 -12.878 569 H PHE 74 H PHE 74 7.973 -20.360 -5.892 570 HA PHE 74 HA PHE 74 9.960 -22.410 -5.619 571 HB2 PHE 74 2HB PHE 74 9.640 -19.766 -4.716 572 HB3 PHE 74 3HB PHE 74 9.693 -20.762 -3.265 573 HD1 PHE 74 HD1 PHE 74 11.607 -19.106 -5.722 574 HD2 PHE 74 HD2 PHE 74 11.627 -22.486 -3.135 575 HE1 PHE 74 HE1 PHE 74 14.058 -19.221 -5.898 576 HE2 PHE 74 HE2 PHE 74 14.079 -22.606 -3.307 577 HZ PHE 74 HZ PHE 74 15.298 -20.972 -4.688 578 H GLY 75 H GLY 75 6.819 -21.786 -4.288 579 HA2 GLY 75 2HA GLY 75 5.886 -24.029 -3.454 580 HA3 GLY 75 3HA GLY 75 7.204 -23.922 -2.298 581 H SER 76 H SER 76 6.752 -23.043 -0.394 582 HA SER 76 HA SER 76 4.548 -21.104 -0.224 583 HB2 SER 76 2HB SER 76 4.712 -23.740 1.011 584 HB3 SER 76 3HB SER 76 4.467 -22.459 2.200 585 HG SER 76 HG SER 76 2.457 -22.634 1.594 586 H SER 77 H SER 77 4.578 -19.893 1.877 587 HA SER 77 HA SER 77 6.907 -19.798 3.477 588 HB2 SER 77 2HB SER 77 8.066 -18.857 1.627 589 HB3 SER 77 3HB SER 77 6.712 -17.804 1.218 590 HG SER 77 HG SER 77 8.685 -17.501 3.137 591 H LYS 78 H LYS 78 6.195 -19.074 5.360 592 HA LYS 78 HA LYS 78 3.674 -17.829 5.675 593 HB2 LYS 78 2HB LYS 78 4.341 -17.592 8.052 594 HB3 LYS 78 3HB LYS 78 4.575 -19.221 7.433 595 HG2 LYS 78 2HG LYS 78 6.975 -18.700 7.107 596 HG3 LYS 78 3HG LYS 78 6.699 -17.133 7.871 597 HD2 LYS 78 2HD LYS 78 5.839 -18.362 9.878 598 HD3 LYS 78 3HD LYS 78 6.365 -19.863 9.110 599 HE2 LYS 78 2HE LYS 78 8.361 -19.533 10.036 600 HE3 LYS 78 3HE LYS 78 8.566 -18.162 8.946 601 HZ1 LYS 78 1HZ LYS 78 7.636 -16.711 10.607 602 HZ2 LYS 78 2HZ LYS 78 8.924 -17.573 11.283 603 HZ3 LYS 78 3HZ LYS 78 7.329 -18.013 11.643 604 H GLU 79 H GLU 79 6.993 -16.602 5.788 605 HA GLU 79 HA GLU 79 6.391 -13.982 6.591 606 HB2 GLU 79 2HB GLU 79 8.682 -15.125 4.997 607 HB3 GLU 79 3HB GLU 79 8.602 -13.428 5.452 608 HG2 GLU 79 2HG GLU 79 8.129 -14.854 7.806 609 HG3 GLU 79 3HG GLU 79 9.446 -15.697 6.993 610 H ILE 80 H ILE 80 6.876 -15.327 3.331 611 HA ILE 80 HA ILE 80 6.371 -12.943 1.929 612 HB ILE 80 HB ILE 80 5.938 -15.785 1.003 613 HG12 ILE 80 2HG1 ILE 80 8.319 -13.973 0.575 614 HG13 ILE 80 3HG1 ILE 80 8.248 -15.229 1.806 615 HG21 ILE 80 1HG2 ILE 80 5.030 -14.840 -0.798 616 HG22 ILE 80 2HG2 ILE 80 5.492 -13.222 -0.270 617 HG23 ILE 80 3HG2 ILE 80 6.637 -14.217 -1.169 618 HD11 ILE 80 1HD1 ILE 80 7.707 -16.779 -0.214 619 HD12 ILE 80 2HD1 ILE 80 8.451 -15.484 -1.151 620 HD13 ILE 80 3HD1 ILE 80 9.369 -16.293 0.118 621 H ASP 81 H ASP 81 4.218 -15.721 2.535 622 HA ASP 81 HA ASP 81 1.920 -14.743 1.358 623 HB2 ASP 81 2HB ASP 81 1.952 -17.004 2.113 624 HB3 ASP 81 3HB ASP 81 2.281 -16.516 3.773 625 H MET 82 H MET 82 3.348 -13.916 4.439 626 HA MET 82 HA MET 82 1.096 -12.594 5.541 627 HB2 MET 82 2HB MET 82 3.805 -13.116 6.294 628 HB3 MET 82 3HB MET 82 3.477 -11.406 6.532 629 HG2 MET 82 2HG MET 82 2.470 -11.887 8.434 630 HG3 MET 82 3HG MET 82 1.254 -12.797 7.541 631 HE1 MET 82 1HE MET 82 1.956 -16.173 7.505 632 HE2 MET 82 2HE MET 82 1.113 -15.726 8.988 633 HE3 MET 82 3HE MET 82 0.821 -14.822 7.501 634 H ALA 83 H ALA 83 4.075 -11.256 4.100 635 HA ALA 83 HA ALA 83 3.368 -8.591 4.076 636 HB1 ALA 83 1HB ALA 83 5.503 -10.018 3.181 637 HB2 ALA 83 2HB ALA 83 4.798 -9.450 1.666 638 HB3 ALA 83 3HB ALA 83 5.262 -8.291 2.911 639 H ILE 84 H ILE 84 2.331 -11.158 1.944 640 HA ILE 84 HA ILE 84 1.254 -9.518 -0.105 641 HB ILE 84 HB ILE 84 0.507 -12.339 0.672 642 HG12 ILE 84 2HG1 ILE 84 2.226 -11.550 -1.660 643 HG13 ILE 84 3HG1 ILE 84 2.932 -11.723 -0.056 644 HG21 ILE 84 1HG2 ILE 84 -1.148 -12.135 -0.796 645 HG22 ILE 84 2HG2 ILE 84 -0.612 -10.520 -1.256 646 HG23 ILE 84 3HG2 ILE 84 0.070 -11.937 -2.055 647 HD11 ILE 84 1HD1 ILE 84 1.276 -13.988 -0.769 648 HD12 ILE 84 2HD1 ILE 84 2.584 -13.717 -1.921 649 HD13 ILE 84 3HD1 ILE 84 2.947 -13.934 -0.208 650 H VAL 85 H VAL 85 -0.417 -11.413 2.419 651 HA VAL 85 HA VAL 85 -2.959 -10.342 2.000 652 HB VAL 85 HB VAL 85 -3.514 -11.126 4.259 653 HG11 VAL 85 1HG1 VAL 85 -3.041 -12.647 2.161 654 HG12 VAL 85 2HG1 VAL 85 -1.735 -13.255 3.182 655 HG13 VAL 85 3HG1 VAL 85 -3.408 -13.352 3.735 656 HG21 VAL 85 1HG2 VAL 85 -0.603 -11.841 4.557 657 HG22 VAL 85 2HG2 VAL 85 -1.333 -10.404 5.274 658 HG23 VAL 85 3HG2 VAL 85 -1.884 -12.008 5.758 659 H THR 86 H THR 86 -0.199 -9.005 3.576 660 HA THR 86 HA THR 86 -1.558 -7.116 5.218 661 HB THR 86 HB THR 86 1.263 -6.911 4.150 662 HG1 THR 86 HG1 THR 86 0.500 -8.893 5.445 663 HG21 THR 86 1HG2 THR 86 1.233 -5.882 6.684 664 HG22 THR 86 2HG2 THR 86 -0.342 -5.381 6.067 665 HG23 THR 86 3HG2 THR 86 1.127 -4.929 5.204 666 H LEU 87 H LEU 87 0.234 -6.736 2.154 667 HA LEU 87 HA LEU 87 -0.515 -4.045 1.755 668 HB2 LEU 87 2HB LEU 87 0.494 -6.183 -0.098 669 HB3 LEU 87 3HB LEU 87 0.133 -4.552 -0.656 670 HG LEU 87 HG LEU 87 2.130 -5.162 1.517 671 HD11 LEU 87 1HD1 LEU 87 3.429 -5.993 -0.091 672 HD12 LEU 87 2HD1 LEU 87 3.537 -4.342 -0.701 673 HD13 LEU 87 3HD1 LEU 87 2.341 -5.452 -1.369 674 HD21 LEU 87 1HD2 LEU 87 1.165 -2.729 0.130 675 HD22 LEU 87 2HD2 LEU 87 2.894 -2.832 0.467 676 HD23 LEU 87 3HD2 LEU 87 1.729 -2.945 1.787 677 H LYS 88 H LYS 88 -2.168 -7.011 1.234 678 HA LYS 88 HA LYS 88 -3.974 -6.105 -0.780 679 HB2 LYS 88 2HB LYS 88 -3.399 -8.542 0.507 680 HB3 LYS 88 3HB LYS 88 -5.087 -8.199 0.860 681 HG2 LYS 88 2HG LYS 88 -5.731 -8.640 -1.228 682 HG3 LYS 88 3HG LYS 88 -4.375 -7.756 -1.933 683 HD2 LYS 88 2HD LYS 88 -2.915 -9.705 -1.359 684 HD3 LYS 88 3HD LYS 88 -4.371 -10.583 -0.884 685 HE2 LYS 88 2HE LYS 88 -5.262 -10.150 -3.191 686 HE3 LYS 88 3HE LYS 88 -3.671 -9.521 -3.616 687 HZ1 LYS 88 1HZ LYS 88 -4.515 -12.268 -3.139 688 HZ2 LYS 88 2HZ LYS 88 -2.970 -11.848 -2.595 689 HZ3 LYS 88 3HZ LYS 88 -3.371 -11.660 -4.228 690 H VAL 89 H VAL 89 -4.590 -6.905 2.644 691 HA VAL 89 HA VAL 89 -7.113 -5.788 2.836 692 HB VAL 89 HB VAL 89 -6.235 -7.177 4.609 693 HG11 VAL 89 1HG1 VAL 89 -4.454 -6.565 6.043 694 HG12 VAL 89 2HG1 VAL 89 -3.884 -6.282 4.397 695 HG13 VAL 89 3HG1 VAL 89 -4.403 -4.924 5.396 696 HG21 VAL 89 1HG2 VAL 89 -6.479 -4.726 6.185 697 HG22 VAL 89 2HG2 VAL 89 -7.746 -4.928 4.976 698 HG23 VAL 89 3HG2 VAL 89 -7.476 -6.180 6.187 699 H PHE 90 H PHE 90 -3.960 -4.247 3.256 700 HA PHE 90 HA PHE 90 -4.942 -1.746 4.138 701 HB2 PHE 90 2HB PHE 90 -2.650 -2.237 4.558 702 HB3 PHE 90 3HB PHE 90 -2.341 -2.581 2.859 703 HD1 PHE 90 HD1 PHE 90 -2.748 0.022 5.378 704 HD2 PHE 90 HD2 PHE 90 -2.072 -0.781 1.254 705 HE1 PHE 90 HE1 PHE 90 -2.031 2.352 5.045 706 HE2 PHE 90 HE2 PHE 90 -1.354 1.546 0.914 707 HZ PHE 90 HZ PHE 90 -1.332 3.117 2.810 708 H ALA 91 H ALA 91 -4.245 -3.073 0.950 709 HA ALA 91 HA ALA 91 -4.461 -0.718 -0.549 710 HB1 ALA 91 1HB ALA 91 -4.873 -2.172 -2.465 711 HB2 ALA 91 2HB ALA 91 -3.565 -2.799 -1.460 712 HB3 ALA 91 3HB ALA 91 -5.167 -3.530 -1.378 713 H VAL 92 H VAL 92 -6.940 -3.153 0.230 714 HA VAL 92 HA VAL 92 -9.048 -1.683 -1.020 715 HB VAL 92 HB VAL 92 -9.198 -4.105 -0.803 716 HG11 VAL 92 1HG1 VAL 92 -9.525 -3.703 2.164 717 HG12 VAL 92 2HG1 VAL 92 -9.429 -5.230 1.281 718 HG13 VAL 92 3HG1 VAL 92 -8.008 -4.191 1.408 719 HG21 VAL 92 1HG2 VAL 92 -11.401 -3.844 -0.861 720 HG22 VAL 92 2HG2 VAL 92 -11.444 -3.667 0.893 721 HG23 VAL 92 3HG2 VAL 92 -11.224 -2.248 -0.131 722 H ALA 93 H ALA 93 -7.962 -2.129 2.319 723 HA ALA 93 HA ALA 93 -10.063 -0.618 3.495 724 HB1 ALA 93 1HB ALA 93 -8.644 -0.636 5.515 725 HB2 ALA 93 2HB ALA 93 -8.844 -2.238 4.805 726 HB3 ALA 93 3HB ALA 93 -7.340 -1.349 4.565 727 H GLY 94 H GLY 94 -7.407 0.298 1.647 728 HA2 GLY 94 2HA GLY 94 -7.365 2.991 2.854 729 HA3 GLY 94 3HA GLY 94 -6.051 2.298 1.915 730 H LEU 95 H LEU 95 -6.771 1.639 -0.391 731 HA LEU 95 HA LEU 95 -7.530 3.986 -1.744 732 HB2 LEU 95 2HB LEU 95 -7.290 1.124 -2.631 733 HB3 LEU 95 3HB LEU 95 -7.715 2.429 -3.737 734 HG LEU 95 HG LEU 95 -5.407 2.025 -4.029 735 HD11 LEU 95 1HD1 LEU 95 -4.413 4.122 -3.458 736 HD12 LEU 95 2HD1 LEU 95 -5.575 4.378 -2.158 737 HD13 LEU 95 3HD1 LEU 95 -6.111 4.407 -3.837 738 HD21 LEU 95 1HD2 LEU 95 -5.004 2.315 -1.058 739 HD22 LEU 95 2HD2 LEU 95 -3.802 1.863 -2.267 740 HD23 LEU 95 3HD2 LEU 95 -5.129 0.764 -1.889 741 H LEU 96 H LEU 96 -9.354 1.279 -0.549 742 HA LEU 96 HA LEU 96 -11.779 2.332 -1.844 743 HB2 LEU 96 2HB LEU 96 -10.774 -0.322 -1.452 744 HB3 LEU 96 3HB LEU 96 -12.325 -0.151 -0.632 745 HG LEU 96 HG LEU 96 -13.146 0.795 -2.900 746 HD11 LEU 96 1HD1 LEU 96 -11.967 0.278 -4.822 747 HD12 LEU 96 2HD1 LEU 96 -10.958 -0.917 -4.007 748 HD13 LEU 96 3HD1 LEU 96 -10.692 0.804 -3.721 749 HD21 LEU 96 1HD2 LEU 96 -13.109 -1.750 -1.739 750 HD22 LEU 96 2HD2 LEU 96 -12.723 -1.997 -3.442 751 HD23 LEU 96 3HD2 LEU 96 -14.204 -1.155 -2.986 752 H ASN 97 H ASN 97 -10.175 2.637 0.941 753 HA ASN 97 HA ASN 97 -10.700 3.128 3.106 754 HB2 ASN 97 2HB ASN 97 -13.245 4.059 1.758 755 HB3 ASN 97 3HB ASN 97 -12.770 4.474 3.403 756 HD21 ASN 97 1HD2 ASN 97 -12.694 5.422 0.224 757 HD22 ASN 97 2HD2 ASN 97 -11.450 6.617 0.327 758 H MET 98 H MET 98 -11.344 0.440 2.169 759 HA MET 98 HA MET 98 -13.837 -0.341 3.344 760 HB2 MET 98 2HB MET 98 -11.553 -1.710 2.035 761 HB3 MET 98 3HB MET 98 -12.523 -2.675 3.140 762 HG2 MET 98 2HG MET 98 -14.378 -1.332 1.572 763 HG3 MET 98 3HG MET 98 -13.101 -1.806 0.454 764 HE1 MET 98 1HE MET 98 -15.327 -2.818 -0.524 765 HE2 MET 98 2HE MET 98 -15.838 -4.467 -0.169 766 HE3 MET 98 3HE MET 98 -16.444 -3.128 0.806 767 H THR 99 H THR 99 -13.769 -2.221 4.997 768 HA THR 99 HA THR 99 -11.675 -1.922 6.997 769 HB THR 99 HB THR 99 -13.448 -1.665 8.810 770 HG1 THR 99 HG1 THR 99 -14.964 -1.009 6.496 771 HG21 THR 99 1HG2 THR 99 -11.917 0.166 7.586 772 HG22 THR 99 2HG2 THR 99 -13.045 0.571 8.880 773 HG23 THR 99 3HG2 THR 99 -13.508 0.816 7.196 774 H VAL 100 H VAL 100 -11.581 -4.139 5.862 775 HA VAL 100 HA VAL 100 -13.471 -6.137 6.360 776 HB VAL 100 HB VAL 100 -11.732 -7.747 5.875 777 HG11 VAL 100 1HG1 VAL 100 -11.767 -7.200 3.717 778 HG12 VAL 100 2HG1 VAL 100 -12.504 -5.671 4.200 779 HG13 VAL 100 3HG1 VAL 100 -10.755 -5.782 3.990 780 HG21 VAL 100 1HG2 VAL 100 -9.985 -5.571 6.798 781 HG22 VAL 100 2HG2 VAL 100 -9.765 -7.319 6.884 782 HG23 VAL 100 3HG2 VAL 100 -9.398 -6.456 5.390 783 H SER 101 H SER 101 -12.418 -8.225 7.637 784 HA SER 101 HA SER 101 -12.176 -7.271 10.409 785 HB2 SER 101 2HB SER 101 -13.169 -9.931 9.357 786 HB3 SER 101 3HB SER 101 -13.057 -9.491 11.061 787 HG SER 101 HG SER 101 -15.163 -9.194 9.963 788 H THR 102 H THR 102 -10.787 -9.389 7.991 789 HA THR 102 HA THR 102 -8.353 -9.574 9.594 790 HB THR 102 HB THR 102 -8.123 -11.934 9.419 791 HG1 THR 102 HG1 THR 102 -10.038 -13.078 8.385 792 HG21 THR 102 1HG2 THR 102 -9.707 -11.027 11.175 793 HG22 THR 102 2HG2 THR 102 -9.897 -12.733 10.775 794 HG23 THR 102 3HG2 THR 102 -11.024 -11.545 10.125 795 H ALA 103 H ALA 103 -6.469 -10.021 8.381 796 HA ALA 103 HA ALA 103 -6.278 -8.830 5.898 797 HB1 ALA 103 1HB ALA 103 -4.387 -9.354 7.441 798 HB2 ALA 103 2HB ALA 103 -4.462 -11.024 6.879 799 HB3 ALA 103 3HB ALA 103 -4.070 -9.730 5.747 800 H ALA 104 H ALA 104 -6.867 -12.216 6.689 801 HA ALA 104 HA ALA 104 -6.587 -13.277 4.100 802 HB1 ALA 104 1HB ALA 104 -6.829 -14.454 6.413 803 HB2 ALA 104 2HB ALA 104 -8.551 -14.423 6.034 804 HB3 ALA 104 3HB ALA 104 -7.424 -15.246 4.954 805 H ALA 105 H ALA 105 -9.540 -12.328 5.862 806 HA ALA 105 HA ALA 105 -11.397 -12.823 3.878 807 HB1 ALA 105 1HB ALA 105 -12.114 -10.414 5.251 808 HB2 ALA 105 2HB ALA 105 -12.782 -12.037 5.421 809 HB3 ALA 105 3HB ALA 105 -11.384 -11.553 6.383 810 H ALA 106 H ALA 106 -9.278 -10.044 4.291 811 HA ALA 106 HA ALA 106 -10.463 -8.359 2.372 812 HB1 ALA 106 1HB ALA 106 -8.885 -6.937 3.033 813 HB2 ALA 106 2HB ALA 106 -8.319 -8.198 4.129 814 HB3 ALA 106 3HB ALA 106 -7.595 -8.029 2.531 815 H GLU 107 H GLU 107 -7.603 -10.477 2.090 816 HA GLU 107 HA GLU 107 -7.047 -10.076 -0.584 817 HB2 GLU 107 2HB GLU 107 -5.519 -11.325 0.763 818 HB3 GLU 107 3HB GLU 107 -6.734 -12.544 1.122 819 HG2 GLU 107 2HG GLU 107 -6.240 -12.228 -1.728 820 HG3 GLU 107 3HG GLU 107 -4.810 -12.711 -0.819 821 H ASN 108 H ASN 108 -9.437 -12.206 0.887 822 HA ASN 108 HA ASN 108 -10.159 -13.636 -1.422 823 HB2 ASN 108 2HB ASN 108 -10.788 -14.273 0.903 824 HB3 ASN 108 3HB ASN 108 -11.929 -12.930 0.928 825 HD21 ASN 108 1HD2 ASN 108 -11.090 -15.827 -0.922 826 HD22 ASN 108 2HD2 ASN 108 -12.713 -16.235 -1.349 827 H MET 109 H MET 109 -11.644 -10.757 0.060 828 HA MET 109 HA MET 109 -13.636 -10.372 -1.868 829 HB2 MET 109 2HB MET 109 -12.228 -8.388 -0.077 830 HB3 MET 109 3HB MET 109 -13.639 -7.996 -1.051 831 HG2 MET 109 2HG MET 109 -13.739 -10.281 0.864 832 HG3 MET 109 3HG MET 109 -13.920 -8.627 1.445 833 HE1 MET 109 1HE MET 109 -17.462 -8.822 1.721 834 HE2 MET 109 2HE MET 109 -16.820 -10.453 1.914 835 HE3 MET 109 3HE MET 109 -15.888 -9.065 2.479 836 H TYR 110 H TYR 110 -10.254 -9.505 -1.835 837 HA TYR 110 HA TYR 110 -10.305 -7.618 -3.936 838 HB2 TYR 110 2HB TYR 110 -8.367 -8.712 -2.233 839 HB3 TYR 110 3HB TYR 110 -7.837 -9.125 -3.859 840 HD1 TYR 110 HD1 TYR 110 -9.506 -6.106 -2.414 841 HD2 TYR 110 HD2 TYR 110 -6.169 -7.682 -4.531 842 HE1 TYR 110 HE1 TYR 110 -8.618 -3.829 -2.696 843 HE2 TYR 110 HE2 TYR 110 -5.271 -5.410 -4.818 844 HH TYR 110 HH TYR 110 -5.691 -3.223 -4.591 845 H SER 111 H SER 111 -9.289 -11.038 -3.971 846 HA SER 111 HA SER 111 -9.067 -11.202 -6.779 847 HB2 SER 111 2HB SER 111 -9.601 -13.491 -4.875 848 HB3 SER 111 3HB SER 111 -8.845 -13.583 -6.465 849 HG SER 111 HG SER 111 -7.713 -13.075 -4.083 850 H GLN 112 H GLN 112 -11.690 -12.008 -4.546 851 HA GLN 112 HA GLN 112 -13.421 -13.158 -6.444 852 HB2 GLN 112 2HB GLN 112 -13.780 -13.494 -4.076 853 HB3 GLN 112 3HB GLN 112 -14.016 -11.769 -3.829 854 HG2 GLN 112 2HG GLN 112 -16.146 -11.820 -4.535 855 HG3 GLN 112 3HG GLN 112 -15.815 -13.016 -5.787 856 HE21 GLN 112 1HE2 GLN 112 -17.380 -14.466 -5.394 857 HE22 GLN 112 2HE2 GLN 112 -17.569 -15.332 -3.911 858 H MET 113 H MET 113 -12.670 -9.865 -5.655 859 HA MET 113 HA MET 113 -14.993 -8.712 -6.866 860 HB2 MET 113 2HB MET 113 -12.465 -7.717 -5.682 861 HB3 MET 113 3HB MET 113 -13.235 -6.671 -6.867 862 HG2 MET 113 2HG MET 113 -15.223 -6.534 -5.575 863 HG3 MET 113 3HG MET 113 -14.671 -7.802 -4.483 864 HE1 MET 113 1HE MET 113 -15.506 -4.399 -3.426 865 HE2 MET 113 2HE MET 113 -15.715 -6.089 -2.965 866 HE3 MET 113 3HE MET 113 -14.676 -5.034 -2.006 867 H GLY 114 H GLY 114 -11.938 -9.853 -8.005 868 HA2 GLY 114 2HA GLY 114 -11.841 -10.364 -10.403 869 HA3 GLY 114 3HA GLY 114 -12.597 -8.804 -10.686 870 H LEU 115 H LEU 115 -10.197 -8.967 -8.228 871 HA LEU 115 HA LEU 115 -8.438 -7.310 -9.860 872 HB2 LEU 115 2HB LEU 115 -8.547 -7.945 -6.925 873 HB3 LEU 115 3HB LEU 115 -7.198 -7.073 -7.651 874 HG LEU 115 HG LEU 115 -9.195 -5.530 -8.519 875 HD11 LEU 115 1HD1 LEU 115 -10.203 -6.625 -5.896 876 HD12 LEU 115 2HD1 LEU 115 -10.932 -6.906 -7.477 877 HD13 LEU 115 3HD1 LEU 115 -10.894 -5.278 -6.802 878 HD21 LEU 115 1HD2 LEU 115 -8.265 -3.999 -7.171 879 HD22 LEU 115 2HD2 LEU 115 -7.149 -5.295 -6.739 880 HD23 LEU 115 3HD2 LEU 115 -8.548 -4.960 -5.718 881 H ASP 116 H ASP 116 -8.634 -10.496 -8.542 882 HA ASP 116 HA ASP 116 -5.974 -11.082 -9.653 883 HB2 ASP 116 2HB ASP 116 -6.619 -11.166 -6.935 884 HB3 ASP 116 3HB ASP 116 -6.664 -12.848 -7.457 885 H THR 117 H THR 117 -9.031 -12.509 -8.526 886 HA THR 117 HA THR 117 -10.300 -14.223 -9.321 887 HB THR 117 HB THR 117 -9.057 -14.408 -11.973 888 HG1 THR 117 HG1 THR 117 -9.710 -12.295 -12.581 889 HG21 THR 117 1HG2 THR 117 -11.211 -14.649 -12.657 890 HG22 THR 117 2HG2 THR 117 -11.813 -13.405 -11.562 891 HG23 THR 117 3HG2 THR 117 -11.461 -15.022 -10.952 892 H ARG 118 H ARG 118 -10.037 -16.404 -10.707 893 HA ARG 118 HA ARG 118 -7.524 -17.652 -9.803 894 HB2 ARG 118 2HB ARG 118 -8.986 -19.780 -9.709 895 HB3 ARG 118 3HB ARG 118 -9.136 -18.603 -8.412 896 HG2 ARG 118 2HG ARG 118 -10.968 -18.245 -10.691 897 HG3 ARG 118 3HG ARG 118 -11.226 -19.684 -9.701 898 HD2 ARG 118 2HD ARG 118 -10.839 -17.035 -8.379 899 HD3 ARG 118 3HD ARG 118 -12.401 -17.424 -9.098 900 HE ARG 118 HE ARG 118 -11.295 -18.502 -6.685 901 HH11 ARG 118 1HH1 ARG 118 -13.466 -19.119 -9.337 902 HH12 ARG 118 2HH1 ARG 118 -14.431 -20.253 -8.453 903 HH21 ARG 118 1HH2 ARG 118 -12.559 -19.994 -5.511 904 HH22 ARG 118 2HH2 ARG 118 -13.915 -20.750 -6.277 905 HA PRO 119 HA PRO 119 -6.789 -19.069 -13.890 906 HB2 PRO 119 2HB PRO 119 -5.677 -21.505 -13.446 907 HB3 PRO 119 3HB PRO 119 -4.836 -19.989 -13.106 908 HG2 PRO 119 2HG PRO 119 -6.293 -21.809 -11.227 909 HG3 PRO 119 3HG PRO 119 -4.737 -20.987 -11.007 910 HD2 PRO 119 2HD PRO 119 -7.040 -20.064 -9.921 911 HD3 PRO 119 3HD PRO 119 -5.731 -18.984 -10.448 912 H21 MYR 201 1H2 MYR 1 8.355 10.272 -0.059 913 H22 MYR 201 2H2 MYR 1 6.672 9.797 -0.178 914 H31 MYR 201 1H3 MYR 1 7.781 11.293 2.303 915 H32 MYR 201 2H3 MYR 1 7.879 9.536 2.161 916 H41 MYR 201 1H4 MYR 1 5.132 10.567 1.552 917 H42 MYR 201 2H4 MYR 1 5.673 11.031 3.168 918 H51 MYR 201 1H5 MYR 1 6.188 8.632 3.725 919 H52 MYR 201 2H5 MYR 1 5.772 8.134 2.083 920 H61 MYR 201 1H6 MYR 1 3.468 9.587 2.917 921 H62 MYR 201 2H6 MYR 1 3.973 8.761 4.392 922 H71 MYR 201 1H7 MYR 1 3.173 6.757 3.620 923 H72 MYR 201 2H7 MYR 1 4.187 6.851 2.178 924 H81 MYR 201 1H8 MYR 1 2.376 8.499 1.200 925 H82 MYR 201 2H8 MYR 1 1.347 8.003 2.547 926 H91 MYR 201 1H9 MYR 1 2.029 5.503 1.691 927 H92 MYR 201 2H9 MYR 1 2.332 6.347 0.172 928 H101 MYR 201 1H10 MYR 1 0.085 6.839 -0.198 929 H102 MYR 201 2H10 MYR 1 -0.293 7.074 1.502 930 H111 MYR 201 1H11 MYR 1 -1.437 5.055 0.450 931 H112 MYR 201 2H11 MYR 1 -0.499 4.680 1.887 932 H121 MYR 201 1H12 MYR 1 1.072 4.407 -0.668 933 H122 MYR 201 2H12 MYR 1 -0.298 3.303 -0.542 934 H131 MYR 201 1H13 MYR 1 0.628 2.804 1.922 935 H132 MYR 201 2H13 MYR 1 2.124 3.537 1.338 936 H141 MYR 201 1H14 MYR 1 1.947 0.941 1.058 937 H142 MYR 201 2H14 MYR 1 0.730 1.243 -0.204 938 H143 MYR 201 3H14 MYR 1 2.395 1.827 -0.423 Start of MODEL 5 1 H GLY 2 H GLY 2 5.119 13.524 7.121 2 HA2 GLY 2 2HA GLY 2 6.976 14.613 8.647 3 HA3 GLY 2 3HA GLY 2 7.883 14.478 7.148 4 H ASN 3 H ASN 3 6.666 15.405 5.186 5 HA ASN 3 HA ASN 3 5.429 17.954 5.996 6 HB2 ASN 3 2HB ASN 3 7.749 17.476 4.432 7 HB3 ASN 3 3HB ASN 3 6.511 18.106 3.349 8 HD21 ASN 3 1HD2 ASN 3 7.500 20.066 3.050 9 HD22 ASN 3 2HD2 ASN 3 7.616 21.262 4.292 10 H GLY 4 H GLY 4 5.577 15.554 3.371 11 HA2 GLY 4 2HA GLY 4 3.157 16.538 2.155 12 HA3 GLY 4 3HA GLY 4 4.059 15.107 1.679 13 H GLN 5 H GLN 5 1.548 16.371 3.742 14 HA GLN 5 HA GLN 5 0.994 13.996 5.171 15 HB2 GLN 5 2HB GLN 5 0.052 16.614 5.184 16 HB3 GLN 5 3HB GLN 5 -1.345 15.659 4.704 17 HG2 GLN 5 2HG GLN 5 -1.315 14.415 6.690 18 HG3 GLN 5 3HG GLN 5 0.317 14.946 7.095 19 HE21 GLN 5 1HE2 GLN 5 -2.469 15.136 8.366 20 HE22 GLN 5 2HE2 GLN 5 -2.568 16.787 8.861 21 H GLY 6 H GLY 6 -0.854 12.588 4.934 22 HA2 GLY 6 2HA GLY 6 -2.044 12.486 2.259 23 HA3 GLY 6 3HA GLY 6 -1.122 11.090 2.798 24 H ARG 7 H ARG 7 -4.148 12.118 2.404 25 HA ARG 7 HA ARG 7 -5.407 11.489 4.861 26 HB2 ARG 7 2HB ARG 7 -6.608 11.335 2.093 27 HB3 ARG 7 3HB ARG 7 -7.476 11.508 3.613 28 HG2 ARG 7 2HG ARG 7 -5.939 13.675 3.781 29 HG3 ARG 7 3HG ARG 7 -6.005 13.522 2.025 30 HD2 ARG 7 2HD ARG 7 -8.173 14.110 1.933 31 HD3 ARG 7 3HD ARG 7 -8.585 13.190 3.379 32 HE ARG 7 HE ARG 7 -7.158 15.347 4.284 33 HH11 ARG 7 1HH1 ARG 7 -10.054 14.877 2.410 34 HH12 ARG 7 2HH1 ARG 7 -10.800 16.345 2.952 35 HH21 ARG 7 1HH2 ARG 7 -8.129 17.282 5.005 36 HH22 ARG 7 2HH2 ARG 7 -9.703 17.712 4.427 37 H ASP 8 H ASP 8 -5.187 9.630 1.824 38 HA ASP 8 HA ASP 8 -6.352 7.282 2.807 39 HB2 ASP 8 2HB ASP 8 -6.195 7.442 0.469 40 HB3 ASP 8 3HB ASP 8 -4.482 7.848 0.521 41 H TRP 9 H TRP 9 -3.165 8.577 3.180 42 HA TRP 9 HA TRP 9 -1.839 6.156 3.855 43 HB2 TRP 9 2HB TRP 9 -0.516 8.034 3.157 44 HB3 TRP 9 3HB TRP 9 -1.187 9.051 4.429 45 HD1 TRP 9 HD1 TRP 9 0.236 9.244 6.550 46 HE1 TRP 9 HE1 TRP 9 2.214 7.945 7.564 47 HE3 TRP 9 HE3 TRP 9 0.469 5.382 3.209 48 HZ2 TRP 9 HZ2 TRP 9 3.679 5.594 7.019 49 HZ3 TRP 9 HZ3 TRP 9 2.188 3.650 3.526 50 HH2 TRP 9 HH2 TRP 9 3.759 3.755 5.391 51 H LYS 10 H LYS 10 -2.813 8.884 5.942 52 HA LYS 10 HA LYS 10 -2.432 7.457 8.354 53 HB2 LYS 10 2HB LYS 10 -3.110 10.099 7.592 54 HB3 LYS 10 3HB LYS 10 -4.374 9.542 8.681 55 HG2 LYS 10 2HG LYS 10 -2.727 9.013 10.374 56 HG3 LYS 10 3HG LYS 10 -1.423 9.473 9.278 57 HD2 LYS 10 2HD LYS 10 -2.941 11.711 9.215 58 HD3 LYS 10 3HD LYS 10 -3.254 11.154 10.860 59 HE2 LYS 10 2HE LYS 10 -1.266 11.889 11.524 60 HE3 LYS 10 3HE LYS 10 -0.461 10.913 10.295 61 HZ1 LYS 10 1HZ LYS 10 -0.907 13.725 10.355 62 HZ2 LYS 10 2HZ LYS 10 -1.516 13.045 8.931 63 HZ3 LYS 10 3HZ LYS 10 0.109 12.822 9.348 64 H MET 11 H MET 11 -5.153 7.823 6.192 65 HA MET 11 HA MET 11 -7.127 6.822 7.983 66 HB2 MET 11 2HB MET 11 -7.573 8.208 5.927 67 HB3 MET 11 3HB MET 11 -7.212 6.781 4.964 68 HG2 MET 11 2HG MET 11 -9.296 6.091 5.180 69 HG3 MET 11 3HG MET 11 -9.114 6.050 6.933 70 HE1 MET 11 1HE MET 11 -11.457 7.595 4.243 71 HE2 MET 11 2HE MET 11 -10.998 9.295 4.348 72 HE3 MET 11 3HE MET 11 -9.809 8.088 3.854 73 H ALA 12 H ALA 12 -4.911 5.367 5.697 74 HA ALA 12 HA ALA 12 -6.129 2.793 5.658 75 HB1 ALA 12 1HB ALA 12 -4.012 2.052 4.636 76 HB2 ALA 12 2HB ALA 12 -4.677 3.486 3.855 77 HB3 ALA 12 3HB ALA 12 -3.319 3.638 4.969 78 H ILE 13 H ILE 13 -3.315 4.121 7.386 79 HA ILE 13 HA ILE 13 -2.749 1.742 8.820 80 HB ILE 13 HB ILE 13 -2.022 4.579 9.563 81 HG12 ILE 13 2HG1 ILE 13 -1.272 3.948 7.289 82 HG13 ILE 13 3HG1 ILE 13 0.077 4.176 8.397 83 HG21 ILE 13 1HG2 ILE 13 -0.136 3.464 10.750 84 HG22 ILE 13 2HG2 ILE 13 -1.724 3.122 11.435 85 HG23 ILE 13 3HG2 ILE 13 -0.918 1.915 10.433 86 HD11 ILE 13 1HD1 ILE 13 -1.075 1.554 7.479 87 HD12 ILE 13 2HD1 ILE 13 0.479 2.253 7.024 88 HD13 ILE 13 3HD1 ILE 13 0.200 1.730 8.685 89 H LYS 14 H LYS 14 -4.389 4.757 9.768 90 HA LYS 14 HA LYS 14 -4.998 4.088 12.392 91 HB2 LYS 14 2HB LYS 14 -5.321 6.327 11.293 92 HB3 LYS 14 3HB LYS 14 -6.775 5.685 10.542 93 HG2 LYS 14 2HG LYS 14 -6.628 5.357 13.458 94 HG3 LYS 14 3HG LYS 14 -6.731 7.023 12.885 95 HD2 LYS 14 2HD LYS 14 -8.572 5.128 11.586 96 HD3 LYS 14 3HD LYS 14 -8.872 5.415 13.301 97 HE2 LYS 14 2HE LYS 14 -8.470 7.945 12.426 98 HE3 LYS 14 3HE LYS 14 -9.185 7.213 10.990 99 HZ1 LYS 14 1HZ LYS 14 -11.049 6.473 12.352 100 HZ2 LYS 14 2HZ LYS 14 -10.881 8.155 12.413 101 HZ3 LYS 14 3HZ LYS 14 -10.367 7.207 13.716 102 H ARG 15 H ARG 15 -6.830 3.426 9.429 103 HA ARG 15 HA ARG 15 -8.980 2.128 10.795 104 HB2 ARG 15 2HB ARG 15 -8.155 2.251 7.897 105 HB3 ARG 15 3HB ARG 15 -9.550 1.330 8.444 106 HG2 ARG 15 2HG ARG 15 -10.551 3.373 9.336 107 HG3 ARG 15 3HG ARG 15 -9.152 4.295 8.783 108 HD2 ARG 15 2HD ARG 15 -9.654 3.818 6.496 109 HD3 ARG 15 3HD ARG 15 -10.905 2.664 6.956 110 HE ARG 15 HE ARG 15 -11.190 5.485 6.719 111 HH11 ARG 15 1HH1 ARG 15 -12.287 2.718 8.525 112 HH12 ARG 15 2HH1 ARG 15 -13.814 3.427 8.935 113 HH21 ARG 15 1HH2 ARG 15 -13.196 6.430 7.252 114 HH22 ARG 15 2HH2 ARG 15 -14.330 5.538 8.210 115 H CYS 16 H CYS 16 -6.019 1.074 9.214 116 HA CYS 16 HA CYS 16 -6.534 -1.674 9.113 117 HB2 CYS 16 2HB CYS 16 -4.131 0.049 9.018 118 HB3 CYS 16 3HB CYS 16 -3.852 -1.625 9.483 119 HG CYS 16 HG CYS 16 -3.385 -1.983 6.930 120 H SER 17 H SER 17 -5.584 0.393 11.747 121 HA SER 17 HA SER 17 -4.516 -1.452 13.529 122 HB2 SER 17 2HB SER 17 -4.388 0.866 14.080 123 HB3 SER 17 3HB SER 17 -6.141 1.051 14.004 124 HG SER 17 HG SER 17 -6.156 0.573 16.038 125 H ASN 18 H ASN 18 -7.788 -0.982 12.500 126 HA ASN 18 HA ASN 18 -8.811 -2.705 14.634 127 HB2 ASN 18 2HB ASN 18 -9.889 -0.458 13.654 128 HB3 ASN 18 3HB ASN 18 -10.623 -1.611 12.544 129 HD21 ASN 18 1HD2 ASN 18 -12.040 -3.171 13.345 130 HD22 ASN 18 2HD2 ASN 18 -12.783 -3.013 14.897 131 H VAL 19 H VAL 19 -7.115 -3.658 12.401 132 HA VAL 19 HA VAL 19 -9.015 -5.527 11.141 133 HB VAL 19 HB VAL 19 -6.301 -4.657 10.136 134 HG11 VAL 19 1HG1 VAL 19 -6.309 -6.472 8.860 135 HG12 VAL 19 2HG1 VAL 19 -7.836 -6.988 9.578 136 HG13 VAL 19 3HG1 VAL 19 -7.837 -5.959 8.145 137 HG21 VAL 19 1HG2 VAL 19 -7.604 -3.627 8.299 138 HG22 VAL 19 2HG2 VAL 19 -9.087 -4.021 9.168 139 HG23 VAL 19 3HG2 VAL 19 -7.926 -2.895 9.871 140 H ALA 20 H ALA 20 -8.926 -7.542 11.855 141 HA ALA 20 HA ALA 20 -6.755 -8.425 13.538 142 HB1 ALA 20 1HB ALA 20 -8.094 -10.226 14.115 143 HB2 ALA 20 2HB ALA 20 -9.273 -8.958 13.780 144 HB3 ALA 20 3HB ALA 20 -8.958 -10.208 12.578 145 H VAL 21 H VAL 21 -4.900 -8.952 12.557 146 HA VAL 21 HA VAL 21 -4.582 -9.822 9.928 147 HB VAL 21 HB VAL 21 -2.737 -10.524 12.210 148 HG11 VAL 21 1HG1 VAL 21 -2.637 -11.128 9.493 149 HG12 VAL 21 2HG1 VAL 21 -1.513 -9.783 9.705 150 HG13 VAL 21 3HG1 VAL 21 -1.321 -11.254 10.659 151 HG21 VAL 21 1HG2 VAL 21 -1.691 -8.280 11.050 152 HG22 VAL 21 2HG2 VAL 21 -3.420 -7.932 11.038 153 HG23 VAL 21 3HG2 VAL 21 -2.608 -8.313 12.557 154 H GLY 22 H GLY 22 -5.394 -11.589 12.815 155 HA2 GLY 22 2HA GLY 22 -5.209 -14.116 11.296 156 HA3 GLY 22 3HA GLY 22 -5.082 -14.002 13.044 157 H VAL 23 H VAL 23 -7.059 -14.977 10.655 158 HA VAL 23 HA VAL 23 -9.583 -13.989 11.166 159 HB VAL 23 HB VAL 23 -10.443 -16.222 10.425 160 HG11 VAL 23 1HG1 VAL 23 -8.711 -16.002 8.270 161 HG12 VAL 23 2HG1 VAL 23 -10.243 -15.154 8.480 162 HG13 VAL 23 3HG1 VAL 23 -8.734 -14.387 8.977 163 HG21 VAL 23 1HG2 VAL 23 -7.506 -16.899 10.395 164 HG22 VAL 23 2HG2 VAL 23 -8.761 -17.664 11.369 165 HG23 VAL 23 3HG2 VAL 23 -8.763 -17.859 9.616 166 H GLY 24 H GLY 24 -7.724 -16.349 12.983 167 HA2 GLY 24 2HA GLY 24 -9.988 -16.816 14.786 168 HA3 GLY 24 3HA GLY 24 -8.482 -17.723 14.761 169 H GLY 25 H GLY 25 -6.676 -15.558 14.837 170 HA2 GLY 25 2HA GLY 25 -6.421 -15.147 17.581 171 HA3 GLY 25 3HA GLY 25 -5.604 -14.201 16.345 172 H LYS 26 H LYS 26 -7.464 -13.899 18.969 173 HA LYS 26 HA LYS 26 -9.074 -11.676 17.933 174 HB2 LYS 26 2HB LYS 26 -9.167 -13.071 20.615 175 HB3 LYS 26 3HB LYS 26 -10.241 -11.774 20.106 176 HG2 LYS 26 2HG LYS 26 -10.865 -13.322 18.158 177 HG3 LYS 26 3HG LYS 26 -10.104 -14.596 19.115 178 HD2 LYS 26 2HD LYS 26 -11.932 -12.959 20.678 179 HD3 LYS 26 3HD LYS 26 -12.726 -13.748 19.314 180 HE2 LYS 26 2HE LYS 26 -12.172 -15.885 20.076 181 HE3 LYS 26 3HE LYS 26 -10.908 -15.276 21.144 182 HZ1 LYS 26 1HZ LYS 26 -13.073 -14.064 22.139 183 HZ2 LYS 26 2HZ LYS 26 -12.473 -15.539 22.707 184 HZ3 LYS 26 3HZ LYS 26 -13.754 -15.517 21.604 185 H SER 27 H SER 27 -6.160 -11.556 18.338 186 HA SER 27 HA SER 27 -6.084 -9.050 19.739 187 HB2 SER 27 2HB SER 27 -4.241 -9.814 21.303 188 HB3 SER 27 3HB SER 27 -5.854 -10.409 21.690 189 HG SER 27 HG SER 27 -4.089 -11.997 21.712 190 H LYS 28 H LYS 28 -5.560 -9.924 17.081 191 HA LYS 28 HA LYS 28 -2.696 -9.263 16.888 192 HB2 LYS 28 2HB LYS 28 -4.267 -11.168 15.144 193 HB3 LYS 28 3HB LYS 28 -2.623 -10.639 14.814 194 HG2 LYS 28 2HG LYS 28 -3.082 -11.794 17.483 195 HG3 LYS 28 3HG LYS 28 -3.237 -12.905 16.119 196 HD2 LYS 28 2HD LYS 28 -1.027 -12.616 15.470 197 HD3 LYS 28 3HD LYS 28 -0.875 -11.074 16.316 198 HE2 LYS 28 2HE LYS 28 -1.012 -12.277 18.464 199 HE3 LYS 28 3HE LYS 28 -1.089 -13.804 17.586 200 HZ1 LYS 28 1HZ LYS 28 1.182 -12.103 18.134 201 HZ2 LYS 28 2HZ LYS 28 1.112 -12.680 16.546 202 HZ3 LYS 28 3HZ LYS 28 1.121 -13.768 17.842 203 H LYS 29 H LYS 29 -3.934 -7.093 16.893 204 HA LYS 29 HA LYS 29 -5.235 -6.378 14.427 205 HB2 LYS 29 2HB LYS 29 -4.527 -4.976 16.962 206 HB3 LYS 29 3HB LYS 29 -4.835 -3.997 15.534 207 HG2 LYS 29 2HG LYS 29 -7.052 -4.744 15.365 208 HG3 LYS 29 3HG LYS 29 -6.770 -6.089 16.473 209 HD2 LYS 29 2HD LYS 29 -6.211 -4.228 18.191 210 HD3 LYS 29 3HD LYS 29 -7.076 -3.170 17.074 211 HE2 LYS 29 2HE LYS 29 -8.662 -5.474 17.396 212 HE3 LYS 29 3HE LYS 29 -8.118 -5.011 19.008 213 HZ1 LYS 29 1HZ LYS 29 -9.096 -2.872 17.289 214 HZ2 LYS 29 2HZ LYS 29 -9.288 -3.096 18.954 215 HZ3 LYS 29 3HZ LYS 29 -10.252 -3.963 17.867 216 H PHE 30 H PHE 30 -4.463 -4.962 12.842 217 HA PHE 30 HA PHE 30 -1.689 -5.214 12.253 218 HB2 PHE 30 2HB PHE 30 -4.078 -4.342 10.887 219 HB3 PHE 30 3HB PHE 30 -2.759 -3.213 10.594 220 HD1 PHE 30 HD1 PHE 30 -4.344 -5.817 9.162 221 HD2 PHE 30 HD2 PHE 30 -0.404 -4.701 10.324 222 HE1 PHE 30 HE1 PHE 30 -3.416 -7.347 7.473 223 HE2 PHE 30 HE2 PHE 30 0.530 -6.228 8.637 224 HZ PHE 30 HZ PHE 30 -0.977 -7.553 7.208 225 H GLY 31 H GLY 31 -0.291 -3.332 11.706 226 HA2 GLY 31 2HA GLY 31 -0.862 -0.846 13.090 227 HA3 GLY 31 3HA GLY 31 0.433 -1.803 13.794 228 H GLU 32 H GLU 32 1.019 0.691 12.940 229 HA GLU 32 HA GLU 32 1.784 1.036 10.291 230 HB2 GLU 32 2HB GLU 32 3.434 2.690 11.193 231 HB3 GLU 32 3HB GLU 32 1.792 2.910 11.780 232 HG2 GLU 32 2HG GLU 32 2.443 1.670 13.844 233 HG3 GLU 32 3HG GLU 32 4.106 1.688 13.260 234 H GLY 33 H GLY 33 3.636 -0.318 13.003 235 HA2 GLY 33 2HA GLY 33 6.045 -0.727 11.617 236 HA3 GLY 33 3HA GLY 33 5.534 -1.607 13.050 237 H ASN 34 H ASN 34 3.299 -2.924 12.136 238 HA ASN 34 HA ASN 34 4.409 -5.161 10.866 239 HB2 ASN 34 2HB ASN 34 1.477 -4.424 10.970 240 HB3 ASN 34 3HB ASN 34 2.155 -6.037 10.770 241 HD21 ASN 34 1HD2 ASN 34 3.210 -7.016 12.543 242 HD22 ASN 34 2HD2 ASN 34 2.868 -6.520 14.161 243 H PHE 35 H PHE 35 2.175 -2.703 9.575 244 HA PHE 35 HA PHE 35 1.951 -3.635 6.987 245 HB2 PHE 35 2HB PHE 35 0.585 -1.803 7.756 246 HB3 PHE 35 3HB PHE 35 2.002 -0.786 7.997 247 HD1 PHE 35 HD1 PHE 35 0.825 -2.910 5.163 248 HD2 PHE 35 HD2 PHE 35 1.995 0.955 6.507 249 HE1 PHE 35 HE1 PHE 35 0.586 -2.046 2.872 250 HE2 PHE 35 HE2 PHE 35 1.758 1.827 4.219 251 HZ PHE 35 HZ PHE 35 1.052 0.326 2.398 252 H ARG 36 H ARG 36 4.498 -1.650 8.411 253 HA ARG 36 HA ARG 36 5.879 -1.115 5.999 254 HB2 ARG 36 2HB ARG 36 6.895 -1.183 8.846 255 HB3 ARG 36 3HB ARG 36 7.776 -0.519 7.477 256 HG2 ARG 36 2HG ARG 36 5.145 0.634 7.645 257 HG3 ARG 36 3HG ARG 36 6.015 0.819 9.169 258 HD2 ARG 36 2HD ARG 36 7.973 1.638 7.753 259 HD3 ARG 36 3HD ARG 36 6.814 1.761 6.429 260 HE ARG 36 HE ARG 36 6.035 3.680 7.376 261 HH11 ARG 36 1HH1 ARG 36 7.673 1.827 9.825 262 HH12 ARG 36 2HH1 ARG 36 7.518 3.050 11.041 263 HH21 ARG 36 1HH2 ARG 36 5.822 5.299 8.968 264 HH22 ARG 36 2HH2 ARG 36 6.463 5.025 10.553 265 H TRP 37 H TRP 37 6.293 -3.601 8.495 266 HA TRP 37 HA TRP 37 8.578 -4.829 7.499 267 HB2 TRP 37 2HB TRP 37 7.766 -5.437 9.668 268 HB3 TRP 37 3HB TRP 37 6.226 -5.978 9.005 269 HD1 TRP 37 HD1 TRP 37 9.718 -7.166 9.755 270 HE1 TRP 37 HE1 TRP 37 9.933 -9.654 9.134 271 HE3 TRP 37 HE3 TRP 37 5.319 -7.751 7.217 272 HZ2 TRP 37 HZ2 TRP 37 8.436 -11.607 7.749 273 HZ3 TRP 37 HZ3 TRP 37 4.786 -9.961 6.275 274 HH2 TRP 37 HH2 TRP 37 6.313 -11.847 6.536 275 H ALA 38 H ALA 38 5.229 -5.136 6.508 276 HA ALA 38 HA ALA 38 5.603 -7.415 4.842 277 HB1 ALA 38 1HB ALA 38 3.392 -6.656 3.851 278 HB2 ALA 38 2HB ALA 38 3.402 -7.021 5.576 279 HB3 ALA 38 3HB ALA 38 3.434 -5.345 5.030 280 H ILE 39 H ILE 39 5.052 -3.984 4.018 281 HA ILE 39 HA ILE 39 5.550 -4.216 1.285 282 HB ILE 39 HB ILE 39 4.514 -2.227 2.184 283 HG12 ILE 39 2HG1 ILE 39 7.204 -1.596 0.948 284 HG13 ILE 39 3HG1 ILE 39 5.738 -2.009 0.066 285 HG21 ILE 39 1HG2 ILE 39 5.682 -0.619 3.539 286 HG22 ILE 39 2HG2 ILE 39 5.777 -2.199 4.315 287 HG23 ILE 39 3HG2 ILE 39 7.170 -1.561 3.442 288 HD11 ILE 39 1HD1 ILE 39 5.070 0.146 1.729 289 HD12 ILE 39 2HD1 ILE 39 6.631 0.534 1.003 290 HD13 ILE 39 3HD1 ILE 39 5.252 0.142 -0.025 291 H ARG 40 H ARG 40 7.762 -3.626 3.973 292 HA ARG 40 HA ARG 40 10.055 -3.013 2.486 293 HB2 ARG 40 2HB ARG 40 9.992 -2.615 4.863 294 HB3 ARG 40 3HB ARG 40 9.759 -4.328 5.189 295 HG2 ARG 40 2HG ARG 40 11.977 -4.839 4.471 296 HG3 ARG 40 3HG ARG 40 12.219 -3.194 3.883 297 HD2 ARG 40 2HD ARG 40 12.851 -2.493 5.899 298 HD3 ARG 40 3HD ARG 40 11.413 -3.186 6.648 299 HE ARG 40 HE ARG 40 13.420 -5.139 6.030 300 HH11 ARG 40 1HH1 ARG 40 12.364 -2.782 8.365 301 HH12 ARG 40 2HH1 ARG 40 13.161 -3.552 9.697 302 HH21 ARG 40 1HH2 ARG 40 14.473 -6.163 7.777 303 HH22 ARG 40 2HH2 ARG 40 14.360 -5.474 9.361 304 H MET 41 H MET 41 8.987 -6.141 3.821 305 HA MET 41 HA MET 41 11.098 -7.641 2.689 306 HB2 MET 41 2HB MET 41 9.641 -8.363 4.602 307 HB3 MET 41 3HB MET 41 8.350 -8.649 3.442 308 HG2 MET 41 2HG MET 41 9.330 -10.741 3.847 309 HG3 MET 41 3HG MET 41 9.921 -10.230 2.267 310 HE1 MET 41 1HE MET 41 12.358 -10.494 6.157 311 HE2 MET 41 2HE MET 41 10.996 -9.383 6.017 312 HE3 MET 41 3HE MET 41 10.731 -11.124 5.903 313 H ALA 42 H ALA 42 7.708 -7.218 1.680 314 HA ALA 42 HA ALA 42 7.805 -8.785 -0.625 315 HB1 ALA 42 1HB ALA 42 5.799 -7.681 -1.309 316 HB2 ALA 42 2HB ALA 42 5.746 -7.864 0.444 317 HB3 ALA 42 3HB ALA 42 6.139 -6.300 -0.268 318 H ASN 43 H ASN 43 8.854 -5.494 -0.053 319 HA ASN 43 HA ASN 43 9.119 -4.709 -2.758 320 HB2 ASN 43 2HB ASN 43 10.134 -3.704 -0.138 321 HB3 ASN 43 3HB ASN 43 10.908 -3.115 -1.607 322 HD21 ASN 43 1HD2 ASN 43 9.762 -1.260 -0.165 323 HD22 ASN 43 2HD2 ASN 43 8.260 -0.740 -0.841 324 H VAL 44 H VAL 44 11.627 -5.672 -0.407 325 HA VAL 44 HA VAL 44 13.730 -5.816 -2.253 326 HB VAL 44 HB VAL 44 14.185 -5.738 0.120 327 HG11 VAL 44 1HG1 VAL 44 12.970 -8.495 0.275 328 HG12 VAL 44 2HG1 VAL 44 13.720 -7.606 1.603 329 HG13 VAL 44 3HG1 VAL 44 12.226 -7.013 0.875 330 HG21 VAL 44 1HG2 VAL 44 15.745 -6.928 -1.495 331 HG22 VAL 44 2HG2 VAL 44 15.962 -7.283 0.219 332 HG23 VAL 44 3HG2 VAL 44 15.124 -8.434 -0.821 333 H SER 45 H SER 45 11.347 -8.200 -1.248 334 HA SER 45 HA SER 45 12.548 -10.452 -2.451 335 HB2 SER 45 2HB SER 45 10.632 -10.393 -0.744 336 HB3 SER 45 3HB SER 45 9.571 -10.088 -2.121 337 HG SER 45 HG SER 45 10.157 -12.393 -1.320 338 H THR 46 H THR 46 10.676 -7.828 -3.719 339 HA THR 46 HA THR 46 10.258 -9.206 -6.265 340 HB THR 46 HB THR 46 9.055 -7.021 -6.860 341 HG1 THR 46 HG1 THR 46 8.433 -5.774 -5.043 342 HG21 THR 46 1HG2 THR 46 7.028 -7.738 -5.832 343 HG22 THR 46 2HG2 THR 46 7.899 -8.535 -4.522 344 HG23 THR 46 3HG2 THR 46 7.975 -9.189 -6.158 345 H GLY 47 H GLY 47 12.909 -8.216 -5.216 346 HA2 GLY 47 2HA GLY 47 14.786 -7.177 -6.033 347 HA3 GLY 47 3HA GLY 47 14.068 -7.439 -7.615 348 H ARG 48 H ARG 48 12.439 -5.492 -5.242 349 HA ARG 48 HA ARG 48 12.963 -3.127 -6.910 350 HB2 ARG 48 2HB ARG 48 10.641 -3.966 -5.211 351 HB3 ARG 48 3HB ARG 48 10.902 -2.262 -5.555 352 HG2 ARG 48 2HG ARG 48 10.667 -2.620 -7.897 353 HG3 ARG 48 3HG ARG 48 10.673 -4.372 -7.685 354 HD2 ARG 48 2HD ARG 48 8.576 -4.207 -6.413 355 HD3 ARG 48 3HD ARG 48 8.569 -2.462 -6.671 356 HE ARG 48 HE ARG 48 8.729 -3.665 -9.170 357 HH11 ARG 48 1HH1 ARG 48 6.497 -3.494 -6.503 358 HH12 ARG 48 2HH1 ARG 48 5.092 -3.697 -7.496 359 HH21 ARG 48 1HH2 ARG 48 6.886 -3.934 -10.488 360 HH22 ARG 48 2HH2 ARG 48 5.314 -3.948 -9.763 361 H GLU 49 H GLU 49 13.544 -1.164 -5.976 362 HA GLU 49 HA GLU 49 15.332 -1.198 -3.877 363 HB2 GLU 49 2HB GLU 49 14.854 1.317 -3.755 364 HB3 GLU 49 3HB GLU 49 15.424 0.673 -5.287 365 HG2 GLU 49 2HG GLU 49 12.513 0.711 -5.007 366 HG3 GLU 49 3HG GLU 49 13.273 2.301 -4.975 367 HA PRO 50 HA PRO 50 13.066 -1.256 -0.120 368 HB2 PRO 50 2HB PRO 50 14.566 0.373 1.452 369 HB3 PRO 50 3HB PRO 50 15.089 -1.246 0.971 370 HG2 PRO 50 2HG PRO 50 15.846 1.411 -0.182 371 HG3 PRO 50 3HG PRO 50 16.875 0.012 0.175 372 HD2 PRO 50 2HD PRO 50 15.997 0.576 -2.323 373 HD3 PRO 50 3HD PRO 50 16.269 -1.086 -1.760 374 H GLY 51 H GLY 51 13.779 1.847 -1.579 375 HA2 GLY 51 2HA GLY 51 11.871 3.249 0.108 376 HA3 GLY 51 3HA GLY 51 12.843 3.952 -1.177 377 H ASP 52 H ASP 52 10.499 1.271 -1.130 378 HA ASP 52 HA ASP 52 9.149 2.537 -3.409 379 HB2 ASP 52 2HB ASP 52 9.793 -0.204 -2.713 380 HB3 ASP 52 3HB ASP 52 8.076 -0.019 -3.057 381 H ILE 53 H ILE 53 7.923 4.028 -2.205 382 HA ILE 53 HA ILE 53 5.778 2.817 -0.587 383 HB ILE 53 HB ILE 53 5.579 5.126 0.457 384 HG12 ILE 53 2HG1 ILE 53 8.430 5.622 -0.134 385 HG13 ILE 53 3HG1 ILE 53 7.328 5.883 -1.481 386 HG21 ILE 53 1HG2 ILE 53 8.062 4.520 1.570 387 HG22 ILE 53 2HG2 ILE 53 6.484 3.946 2.109 388 HG23 ILE 53 3HG2 ILE 53 7.434 2.982 0.977 389 HD11 ILE 53 1HD1 ILE 53 6.130 7.536 -0.296 390 HD12 ILE 53 2HD1 ILE 53 6.924 7.121 1.223 391 HD13 ILE 53 3HD1 ILE 53 7.842 7.893 -0.070 392 HA PRO 54 HA PRO 54 3.863 4.722 -4.364 393 HB2 PRO 54 2HB PRO 54 2.181 2.644 -4.841 394 HB3 PRO 54 3HB PRO 54 3.837 2.701 -5.456 395 HG2 PRO 54 2HG PRO 54 2.755 1.270 -3.060 396 HG3 PRO 54 3HG PRO 54 3.911 0.698 -4.277 397 HD2 PRO 54 2HD PRO 54 4.684 1.597 -1.842 398 HD3 PRO 54 3HD PRO 54 5.682 1.802 -3.296 399 H GLU 55 H GLU 55 1.377 4.820 -4.796 400 HA GLU 55 HA GLU 55 -0.289 4.653 -2.450 401 HB2 GLU 55 2HB GLU 55 0.717 7.277 -3.492 402 HB3 GLU 55 3HB GLU 55 -0.887 7.178 -2.778 403 HG2 GLU 55 2HG GLU 55 0.614 5.900 -0.908 404 HG3 GLU 55 3HG GLU 55 1.748 7.108 -1.511 405 H THR 56 H THR 56 -0.622 3.298 -4.740 406 HA THR 56 HA THR 56 -3.079 4.468 -5.799 407 HB THR 56 HB THR 56 -2.537 4.175 -8.086 408 HG1 THR 56 HG1 THR 56 -0.825 3.009 -8.786 409 HG21 THR 56 1HG2 THR 56 -0.102 5.354 -6.739 410 HG22 THR 56 2HG2 THR 56 -1.600 6.215 -7.095 411 HG23 THR 56 3HG2 THR 56 -0.591 5.619 -8.412 412 H LEU 57 H LEU 57 -4.647 2.992 -6.196 413 HA LEU 57 HA LEU 57 -4.574 0.472 -5.075 414 HB2 LEU 57 2HB LEU 57 -6.563 1.875 -5.913 415 HB3 LEU 57 3HB LEU 57 -6.283 1.084 -7.463 416 HG LEU 57 HG LEU 57 -6.451 -0.870 -5.354 417 HD11 LEU 57 1HD1 LEU 57 -7.956 0.147 -4.038 418 HD12 LEU 57 2HD1 LEU 57 -9.094 -0.269 -5.319 419 HD13 LEU 57 3HD1 LEU 57 -8.377 1.341 -5.265 420 HD21 LEU 57 1HD2 LEU 57 -8.067 -0.270 -7.826 421 HD22 LEU 57 2HD2 LEU 57 -8.279 -1.708 -6.826 422 HD23 LEU 57 3HD2 LEU 57 -6.750 -1.433 -7.662 423 H ASP 58 H ASP 58 -3.649 1.482 -8.297 424 HA ASP 58 HA ASP 58 -3.502 -1.092 -9.465 425 HB2 ASP 58 2HB ASP 58 -2.550 1.632 -10.150 426 HB3 ASP 58 3HB ASP 58 -1.700 0.291 -10.914 427 H GLN 59 H GLN 59 -1.026 0.992 -7.989 428 HA GLN 59 HA GLN 59 1.176 -0.655 -8.367 429 HB2 GLN 59 2HB GLN 59 0.484 1.600 -6.636 430 HB3 GLN 59 3HB GLN 59 1.662 0.510 -5.916 431 HG2 GLN 59 2HG GLN 59 3.185 1.677 -7.035 432 HG3 GLN 59 3HG GLN 59 2.618 0.813 -8.463 433 HE21 GLN 59 1HE2 GLN 59 1.943 3.693 -6.517 434 HE22 GLN 59 2HE2 GLN 59 1.488 4.698 -7.846 435 H LEU 60 H LEU 60 -1.239 -0.674 -5.789 436 HA LEU 60 HA LEU 60 -0.006 -2.572 -4.128 437 HB2 LEU 60 2HB LEU 60 -2.762 -1.531 -4.484 438 HB3 LEU 60 3HB LEU 60 -2.565 -3.026 -3.573 439 HG LEU 60 HG LEU 60 -2.695 -0.970 -2.173 440 HD11 LEU 60 1HD1 LEU 60 -1.448 -3.154 -1.607 441 HD12 LEU 60 2HD1 LEU 60 -1.147 -1.725 -0.619 442 HD13 LEU 60 3HD1 LEU 60 0.015 -2.201 -1.859 443 HD21 LEU 60 1HD2 LEU 60 0.103 -0.289 -2.864 444 HD22 LEU 60 2HD2 LEU 60 -1.215 0.743 -2.306 445 HD23 LEU 60 3HD2 LEU 60 -1.153 0.225 -3.992 446 H ARG 61 H ARG 61 -2.608 -3.025 -6.527 447 HA ARG 61 HA ARG 61 -2.718 -5.818 -6.342 448 HB2 ARG 61 2HB ARG 61 -4.522 -4.651 -7.389 449 HB3 ARG 61 3HB ARG 61 -3.446 -3.932 -8.580 450 HG2 ARG 61 2HG ARG 61 -3.536 -6.880 -8.514 451 HG3 ARG 61 3HG ARG 61 -4.993 -6.056 -9.076 452 HD2 ARG 61 2HD ARG 61 -3.874 -5.048 -10.862 453 HD3 ARG 61 3HD ARG 61 -2.289 -5.330 -10.145 454 HE ARG 61 HE ARG 61 -2.262 -7.391 -11.126 455 HH11 ARG 61 1HH1 ARG 61 -5.538 -6.215 -11.069 456 HH12 ARG 61 2HH1 ARG 61 -6.162 -7.520 -12.023 457 HH21 ARG 61 1HH2 ARG 61 -3.071 -9.115 -12.384 458 HH22 ARG 61 2HH2 ARG 61 -4.757 -9.169 -12.770 459 H LEU 62 H LEU 62 -0.404 -3.761 -7.798 460 HA LEU 62 HA LEU 62 0.586 -5.701 -9.687 461 HB2 LEU 62 2HB LEU 62 1.034 -2.914 -9.070 462 HB3 LEU 62 3HB LEU 62 2.558 -3.772 -9.285 463 HG LEU 62 HG LEU 62 0.409 -4.047 -11.343 464 HD11 LEU 62 1HD1 LEU 62 2.424 -1.879 -11.629 465 HD12 LEU 62 2HD1 LEU 62 0.981 -1.570 -10.664 466 HD13 LEU 62 3HD1 LEU 62 0.825 -2.043 -12.356 467 HD21 LEU 62 1HD2 LEU 62 3.057 -3.750 -12.342 468 HD22 LEU 62 2HD2 LEU 62 2.010 -5.168 -12.389 469 HD23 LEU 62 3HD2 LEU 62 3.084 -4.911 -11.013 470 H VAL 63 H VAL 63 1.982 -4.150 -6.789 471 HA VAL 63 HA VAL 63 4.254 -5.706 -6.556 472 HB VAL 63 HB VAL 63 3.941 -3.749 -5.173 473 HG11 VAL 63 1HG1 VAL 63 1.571 -3.836 -4.786 474 HG12 VAL 63 2HG1 VAL 63 1.734 -5.326 -3.856 475 HG13 VAL 63 3HG1 VAL 63 2.396 -3.815 -3.228 476 HG21 VAL 63 1HG2 VAL 63 4.045 -6.079 -3.280 477 HG22 VAL 63 2HG2 VAL 63 5.357 -5.726 -4.404 478 HG23 VAL 63 3HG2 VAL 63 4.903 -4.541 -3.180 479 H ILE 64 H ILE 64 0.958 -6.454 -5.663 480 HA ILE 64 HA ILE 64 1.606 -8.773 -4.114 481 HB ILE 64 HB ILE 64 -1.003 -7.893 -5.354 482 HG12 ILE 64 2HG1 ILE 64 -0.086 -6.424 -3.573 483 HG13 ILE 64 3HG1 ILE 64 -1.593 -7.200 -3.101 484 HG21 ILE 64 1HG2 ILE 64 -1.530 -9.621 -3.238 485 HG22 ILE 64 2HG2 ILE 64 -1.743 -9.952 -4.956 486 HG23 ILE 64 3HG2 ILE 64 -0.241 -10.404 -4.151 487 HD11 ILE 64 1HD1 ILE 64 0.904 -7.225 -1.775 488 HD12 ILE 64 2HD1 ILE 64 -0.612 -7.986 -1.289 489 HD13 ILE 64 3HD1 ILE 64 0.541 -8.873 -2.286 490 H CYS 65 H CYS 65 0.102 -8.349 -7.323 491 HA CYS 65 HA CYS 65 -0.036 -11.001 -8.072 492 HB2 CYS 65 2HB CYS 65 -1.074 -9.277 -9.407 493 HB3 CYS 65 3HB CYS 65 0.491 -8.561 -9.777 494 HG CYS 65 HG CYS 65 1.261 -11.094 -11.087 495 H ASP 66 H ASP 66 2.722 -8.842 -8.085 496 HA ASP 66 HA ASP 66 4.426 -10.535 -9.623 497 HB2 ASP 66 2HB ASP 66 5.246 -8.387 -7.660 498 HB3 ASP 66 3HB ASP 66 6.204 -9.032 -8.991 499 H LEU 67 H LEU 67 4.507 -9.698 -6.153 500 HA LEU 67 HA LEU 67 6.380 -11.587 -5.373 501 HB2 LEU 67 2HB LEU 67 5.448 -9.691 -4.011 502 HB3 LEU 67 3HB LEU 67 4.032 -10.698 -3.710 503 HG LEU 67 HG LEU 67 5.391 -12.307 -2.511 504 HD11 LEU 67 1HD1 LEU 67 7.818 -11.316 -2.008 505 HD12 LEU 67 2HD1 LEU 67 7.600 -10.703 -3.647 506 HD13 LEU 67 3HD1 LEU 67 7.495 -12.435 -3.334 507 HD21 LEU 67 1HD2 LEU 67 4.912 -11.033 -0.757 508 HD22 LEU 67 2HD2 LEU 67 5.021 -9.566 -1.729 509 HD23 LEU 67 3HD2 LEU 67 6.469 -10.231 -0.973 510 H GLN 68 H GLN 68 3.017 -11.976 -6.128 511 HA GLN 68 HA GLN 68 2.649 -14.490 -4.839 512 HB2 GLN 68 2HB GLN 68 0.704 -13.198 -5.335 513 HB3 GLN 68 3HB GLN 68 1.138 -13.078 -7.035 514 HG2 GLN 68 2HG GLN 68 -0.720 -14.693 -6.398 515 HG3 GLN 68 3HG GLN 68 0.549 -15.289 -7.467 516 HE21 GLN 68 1HE2 GLN 68 0.499 -17.409 -6.987 517 HE22 GLN 68 2HE2 GLN 68 0.823 -18.066 -5.422 518 H GLU 69 H GLU 69 3.110 -13.605 -8.263 519 HA GLU 69 HA GLU 69 3.214 -16.166 -9.319 520 HB2 GLU 69 2HB GLU 69 3.307 -13.775 -10.438 521 HB3 GLU 69 3HB GLU 69 5.039 -14.069 -10.411 522 HG2 GLU 69 2HG GLU 69 3.313 -16.218 -11.489 523 HG3 GLU 69 3HG GLU 69 3.500 -14.757 -12.458 524 H ARG 70 H ARG 70 5.750 -14.261 -7.787 525 HA ARG 70 HA ARG 70 7.895 -15.996 -8.421 526 HB2 ARG 70 2HB ARG 70 7.690 -13.514 -7.298 527 HB3 ARG 70 3HB ARG 70 8.114 -14.495 -5.903 528 HG2 ARG 70 2HG ARG 70 10.117 -15.260 -6.975 529 HG3 ARG 70 3HG ARG 70 9.663 -14.463 -8.482 530 HD2 ARG 70 2HD ARG 70 10.350 -12.446 -7.766 531 HD3 ARG 70 3HD ARG 70 9.725 -12.703 -6.138 532 HE ARG 70 HE ARG 70 11.807 -13.388 -5.491 533 HH11 ARG 70 1HH1 ARG 70 11.611 -13.493 -8.965 534 HH12 ARG 70 2HH1 ARG 70 13.293 -13.850 -9.180 535 HH21 ARG 70 1HH2 ARG 70 14.023 -13.856 -5.761 536 HH22 ARG 70 2HH2 ARG 70 14.664 -14.056 -7.357 537 H ARG 71 H ARG 71 6.196 -15.508 -5.320 538 HA ARG 71 HA ARG 71 7.348 -17.681 -3.992 539 HB2 ARG 71 2HB ARG 71 5.275 -15.759 -3.486 540 HB3 ARG 71 3HB ARG 71 4.731 -17.352 -2.979 541 HG2 ARG 71 2HG ARG 71 7.250 -15.960 -2.095 542 HG3 ARG 71 3HG ARG 71 5.784 -16.193 -1.141 543 HD2 ARG 71 2HD ARG 71 6.763 -18.051 -0.381 544 HD3 ARG 71 3HD ARG 71 6.393 -18.743 -1.959 545 HE ARG 71 HE ARG 71 8.864 -17.321 -1.968 546 HH11 ARG 71 1HH1 ARG 71 7.369 -20.334 -1.070 547 HH12 ARG 71 2HH1 ARG 71 8.835 -21.249 -1.195 548 HH21 ARG 71 1HH2 ARG 71 10.801 -18.515 -2.136 549 HH22 ARG 71 2HH2 ARG 71 10.787 -20.213 -1.800 550 H GLU 72 H GLU 72 4.871 -17.562 -6.378 551 HA GLU 72 HA GLU 72 3.582 -20.019 -5.749 552 HB2 GLU 72 2HB GLU 72 2.625 -18.179 -7.177 553 HB3 GLU 72 3HB GLU 72 3.731 -18.675 -8.449 554 HG2 GLU 72 2HG GLU 72 2.617 -21.027 -8.010 555 HG3 GLU 72 3HG GLU 72 1.299 -20.019 -7.415 556 H LYS 73 H LYS 73 5.762 -19.210 -8.457 557 HA LYS 73 HA LYS 73 6.204 -21.843 -9.284 558 HB2 LYS 73 2HB LYS 73 7.552 -19.231 -9.712 559 HB3 LYS 73 3HB LYS 73 8.481 -20.676 -10.090 560 HG2 LYS 73 2HG LYS 73 5.763 -20.701 -11.164 561 HG3 LYS 73 3HG LYS 73 6.778 -19.402 -11.793 562 HD2 LYS 73 2HD LYS 73 8.331 -20.886 -12.693 563 HD3 LYS 73 3HD LYS 73 7.799 -22.217 -11.662 564 HE2 LYS 73 2HE LYS 73 6.551 -22.926 -13.360 565 HE3 LYS 73 3HE LYS 73 5.547 -21.494 -13.138 566 HZ1 LYS 73 1HZ LYS 73 6.456 -21.855 -15.434 567 HZ2 LYS 73 2HZ LYS 73 7.988 -21.491 -14.816 568 HZ3 LYS 73 3HZ LYS 73 6.759 -20.330 -14.767 569 H PHE 74 H PHE 74 7.568 -20.021 -6.675 570 HA PHE 74 HA PHE 74 9.787 -21.845 -6.290 571 HB2 PHE 74 2HB PHE 74 9.438 -19.212 -5.672 572 HB3 PHE 74 3HB PHE 74 9.116 -19.972 -4.117 573 HD1 PHE 74 HD1 PHE 74 10.895 -21.912 -3.544 574 HD2 PHE 74 HD2 PHE 74 11.590 -18.549 -6.059 575 HE1 PHE 74 HE1 PHE 74 13.314 -22.115 -3.142 576 HE2 PHE 74 HE2 PHE 74 14.010 -18.748 -5.662 577 HZ PHE 74 HZ PHE 74 14.875 -20.532 -4.201 578 H GLY 75 H GLY 75 6.552 -21.399 -5.129 579 HA2 GLY 75 2HA GLY 75 5.716 -23.634 -4.217 580 HA3 GLY 75 3HA GLY 75 7.003 -23.431 -3.039 581 H SER 76 H SER 76 6.662 -22.194 -1.267 582 HA SER 76 HA SER 76 4.749 -20.140 -1.056 583 HB2 SER 76 2HB SER 76 3.219 -21.412 0.581 584 HB3 SER 76 3HB SER 76 3.001 -21.720 -1.142 585 HG SER 76 HG SER 76 3.706 -23.431 0.827 586 H SER 77 H SER 77 5.183 -18.931 0.698 587 HA SER 77 HA SER 77 6.638 -20.156 2.934 588 HB2 SER 77 2HB SER 77 8.460 -18.808 2.761 589 HB3 SER 77 3HB SER 77 7.976 -18.706 1.068 590 HG SER 77 HG SER 77 8.306 -16.696 2.561 591 H LYS 78 H LYS 78 5.966 -19.512 4.890 592 HA LYS 78 HA LYS 78 3.597 -18.096 5.240 593 HB2 LYS 78 2HB LYS 78 4.995 -19.661 6.849 594 HB3 LYS 78 3HB LYS 78 5.628 -18.128 7.431 595 HG2 LYS 78 2HG LYS 78 2.886 -17.740 7.349 596 HG3 LYS 78 3HG LYS 78 3.080 -19.392 7.940 597 HD2 LYS 78 2HD LYS 78 4.437 -18.673 9.753 598 HD3 LYS 78 3HD LYS 78 4.598 -17.051 9.076 599 HE2 LYS 78 2HE LYS 78 3.001 -16.710 10.696 600 HE3 LYS 78 3HE LYS 78 1.996 -17.019 9.281 601 HZ1 LYS 78 1HZ LYS 78 1.956 -18.371 11.692 602 HZ2 LYS 78 2HZ LYS 78 2.631 -19.450 10.579 603 HZ3 LYS 78 3HZ LYS 78 1.112 -18.769 10.281 604 H GLU 79 H GLU 79 6.948 -16.999 5.697 605 HA GLU 79 HA GLU 79 6.473 -14.435 6.602 606 HB2 GLU 79 2HB GLU 79 8.662 -15.525 4.838 607 HB3 GLU 79 3HB GLU 79 8.661 -13.865 5.416 608 HG2 GLU 79 2HG GLU 79 8.533 -14.782 7.748 609 HG3 GLU 79 3HG GLU 79 8.811 -16.379 7.054 610 H ILE 80 H ILE 80 7.337 -15.136 3.215 611 HA ILE 80 HA ILE 80 6.580 -12.701 2.149 612 HB ILE 80 HB ILE 80 6.432 -15.395 0.789 613 HG12 ILE 80 2HG1 ILE 80 8.662 -13.352 0.910 614 HG13 ILE 80 3HG1 ILE 80 8.650 -14.911 1.727 615 HG21 ILE 80 1HG2 ILE 80 6.560 -12.612 -0.365 616 HG22 ILE 80 2HG2 ILE 80 6.688 -14.105 -1.292 617 HG23 ILE 80 3HG2 ILE 80 5.191 -13.720 -0.444 618 HD11 ILE 80 1HD1 ILE 80 8.600 -16.034 -0.449 619 HD12 ILE 80 2HD1 ILE 80 8.655 -14.462 -1.247 620 HD13 ILE 80 3HD1 ILE 80 10.016 -14.998 -0.262 621 H ASP 81 H ASP 81 4.620 -15.585 2.708 622 HA ASP 81 HA ASP 81 2.304 -14.825 1.362 623 HB2 ASP 81 2HB ASP 81 2.452 -17.058 2.159 624 HB3 ASP 81 3HB ASP 81 2.723 -16.526 3.816 625 H MET 82 H MET 82 3.250 -14.210 4.732 626 HA MET 82 HA MET 82 0.933 -12.861 5.524 627 HB2 MET 82 2HB MET 82 3.578 -13.326 6.577 628 HB3 MET 82 3HB MET 82 3.079 -11.671 6.899 629 HG2 MET 82 2HG MET 82 0.847 -13.167 7.535 630 HG3 MET 82 3HG MET 82 2.195 -14.148 8.106 631 HE1 MET 82 1HE MET 82 4.116 -13.213 9.581 632 HE2 MET 82 2HE MET 82 4.323 -11.636 8.818 633 HE3 MET 82 3HE MET 82 4.025 -11.743 10.554 634 H ALA 83 H ALA 83 3.980 -11.582 4.214 635 HA ALA 83 HA ALA 83 3.411 -8.875 4.323 636 HB1 ALA 83 1HB ALA 83 5.066 -8.578 2.592 637 HB2 ALA 83 2HB ALA 83 5.600 -9.837 3.706 638 HB3 ALA 83 3HB ALA 83 4.937 -10.276 2.132 639 H ILE 84 H ILE 84 2.496 -11.249 1.869 640 HA ILE 84 HA ILE 84 1.414 -9.458 -0.005 641 HB ILE 84 HB ILE 84 0.621 -12.323 0.536 642 HG12 ILE 84 2HG1 ILE 84 2.370 -11.404 -1.719 643 HG13 ILE 84 3HG1 ILE 84 3.067 -11.641 -0.119 644 HG21 ILE 84 1HG2 ILE 84 -0.513 -10.365 -1.200 645 HG22 ILE 84 2HG2 ILE 84 0.266 -11.611 -2.173 646 HG23 ILE 84 3HG2 ILE 84 -0.965 -12.057 -0.991 647 HD11 ILE 84 1HD1 ILE 84 3.191 -13.819 -0.458 648 HD12 ILE 84 2HD1 ILE 84 1.465 -13.904 -0.814 649 HD13 ILE 84 3HD1 ILE 84 2.615 -13.561 -2.105 650 H VAL 85 H VAL 85 -0.232 -11.404 2.491 651 HA VAL 85 HA VAL 85 -2.810 -10.440 2.077 652 HB VAL 85 HB VAL 85 -1.662 -11.225 4.756 653 HG11 VAL 85 1HG1 VAL 85 -3.980 -10.157 4.556 654 HG12 VAL 85 2HG1 VAL 85 -4.463 -11.662 3.771 655 HG13 VAL 85 3HG1 VAL 85 -3.855 -11.684 5.427 656 HG21 VAL 85 1HG2 VAL 85 -1.115 -13.105 3.595 657 HG22 VAL 85 2HG2 VAL 85 -2.805 -13.482 3.938 658 HG23 VAL 85 3HG2 VAL 85 -2.348 -12.837 2.361 659 H THR 86 H THR 86 -0.124 -9.053 3.839 660 HA THR 86 HA THR 86 -1.547 -7.110 5.303 661 HB THR 86 HB THR 86 1.291 -6.898 4.280 662 HG1 THR 86 HG1 THR 86 1.523 -8.590 5.548 663 HG21 THR 86 1HG2 THR 86 1.189 -4.879 5.239 664 HG22 THR 86 2HG2 THR 86 1.107 -5.729 6.782 665 HG23 THR 86 3HG2 THR 86 -0.376 -5.223 5.974 666 H LEU 87 H LEU 87 0.284 -6.777 2.258 667 HA LEU 87 HA LEU 87 -0.486 -4.120 1.756 668 HB2 LEU 87 2HB LEU 87 0.484 -6.327 -0.039 669 HB3 LEU 87 3HB LEU 87 0.132 -4.708 -0.640 670 HG LEU 87 HG LEU 87 2.213 -5.404 1.434 671 HD11 LEU 87 1HD1 LEU 87 3.695 -5.645 -0.205 672 HD12 LEU 87 2HD1 LEU 87 3.123 -4.199 -1.036 673 HD13 LEU 87 3HD1 LEU 87 2.324 -5.746 -1.310 674 HD21 LEU 87 1HD2 LEU 87 1.978 -3.258 2.009 675 HD22 LEU 87 2HD2 LEU 87 0.991 -2.892 0.593 676 HD23 LEU 87 3HD2 LEU 87 2.752 -2.895 0.466 677 H LYS 88 H LYS 88 -2.114 -7.129 1.274 678 HA LYS 88 HA LYS 88 -3.943 -6.309 -0.728 679 HB2 LYS 88 2HB LYS 88 -3.382 -8.670 0.672 680 HB3 LYS 88 3HB LYS 88 -5.048 -8.283 1.078 681 HG2 LYS 88 2HG LYS 88 -4.922 -9.752 -0.856 682 HG3 LYS 88 3HG LYS 88 -5.620 -8.188 -1.285 683 HD2 LYS 88 2HD LYS 88 -2.797 -8.036 -1.619 684 HD3 LYS 88 3HD LYS 88 -3.376 -9.494 -2.428 685 HE2 LYS 88 2HE LYS 88 -5.251 -7.650 -3.166 686 HE3 LYS 88 3HE LYS 88 -3.787 -6.672 -3.099 687 HZ1 LYS 88 1HZ LYS 88 -4.510 -8.099 -5.223 688 HZ2 LYS 88 2HZ LYS 88 -3.530 -9.233 -4.440 689 HZ3 LYS 88 3HZ LYS 88 -2.901 -7.720 -4.863 690 H VAL 89 H VAL 89 -4.462 -6.785 2.773 691 HA VAL 89 HA VAL 89 -7.001 -5.611 2.866 692 HB VAL 89 HB VAL 89 -6.211 -6.982 4.695 693 HG11 VAL 89 1HG1 VAL 89 -4.487 -6.185 6.248 694 HG12 VAL 89 2HG1 VAL 89 -3.849 -6.405 4.617 695 HG13 VAL 89 3HG1 VAL 89 -4.211 -4.785 5.213 696 HG21 VAL 89 1HG2 VAL 89 -7.547 -5.890 6.098 697 HG22 VAL 89 2HG2 VAL 89 -6.369 -4.595 6.300 698 HG23 VAL 89 3HG2 VAL 89 -7.524 -4.533 4.970 699 H PHE 90 H PHE 90 -3.793 -4.209 3.055 700 HA PHE 90 HA PHE 90 -4.574 -1.650 3.977 701 HB2 PHE 90 2HB PHE 90 -2.269 -2.327 4.165 702 HB3 PHE 90 3HB PHE 90 -2.146 -2.557 2.424 703 HD1 PHE 90 HD1 PHE 90 -1.991 -0.651 0.923 704 HD2 PHE 90 HD2 PHE 90 -2.168 -0.137 5.145 705 HE1 PHE 90 HE1 PHE 90 -1.217 1.671 0.670 706 HE2 PHE 90 HE2 PHE 90 -1.396 2.186 4.898 707 HZ PHE 90 HZ PHE 90 -0.919 3.093 2.659 708 H ALA 91 H ALA 91 -4.239 -3.061 0.769 709 HA ALA 91 HA ALA 91 -4.550 -0.674 -0.708 710 HB1 ALA 91 1HB ALA 91 -5.421 -3.364 -1.708 711 HB2 ALA 91 2HB ALA 91 -4.716 -2.020 -2.607 712 HB3 ALA 91 3HB ALA 91 -3.715 -2.964 -1.504 713 H VAL 92 H VAL 92 -6.890 -3.199 0.204 714 HA VAL 92 HA VAL 92 -9.125 -1.863 -0.943 715 HB VAL 92 HB VAL 92 -9.222 -3.927 1.255 716 HG11 VAL 92 1HG1 VAL 92 -11.193 -3.689 -0.968 717 HG12 VAL 92 2HG1 VAL 92 -11.416 -4.278 0.682 718 HG13 VAL 92 3HG1 VAL 92 -11.272 -2.546 0.374 719 HG21 VAL 92 1HG2 VAL 92 -8.234 -5.355 -0.138 720 HG22 VAL 92 2HG2 VAL 92 -9.643 -5.203 -1.186 721 HG23 VAL 92 3HG2 VAL 92 -8.235 -4.174 -1.448 722 H ALA 93 H ALA 93 -8.166 -2.368 2.458 723 HA ALA 93 HA ALA 93 -10.137 -0.652 3.531 724 HB1 ALA 93 1HB ALA 93 -7.524 -1.265 4.876 725 HB2 ALA 93 2HB ALA 93 -9.102 -0.973 5.609 726 HB3 ALA 93 3HB ALA 93 -8.804 -2.469 4.725 727 H GLY 94 H GLY 94 -7.292 0.020 1.834 728 HA2 GLY 94 2HA GLY 94 -6.974 2.661 3.078 729 HA3 GLY 94 3HA GLY 94 -5.834 1.899 1.978 730 H LEU 95 H LEU 95 -6.650 1.580 -0.292 731 HA LEU 95 HA LEU 95 -7.384 4.050 -1.391 732 HB2 LEU 95 2HB LEU 95 -7.324 1.262 -2.504 733 HB3 LEU 95 3HB LEU 95 -7.819 2.643 -3.482 734 HG LEU 95 HG LEU 95 -5.537 2.167 -3.978 735 HD11 LEU 95 1HD1 LEU 95 -6.415 4.614 -3.209 736 HD12 LEU 95 2HD1 LEU 95 -4.835 4.297 -3.923 737 HD13 LEU 95 3HD1 LEU 95 -5.002 4.415 -2.172 738 HD21 LEU 95 1HD2 LEU 95 -5.113 0.905 -1.854 739 HD22 LEU 95 2HD2 LEU 95 -4.888 2.460 -1.052 740 HD23 LEU 95 3HD2 LEU 95 -3.804 1.976 -2.357 741 H LEU 96 H LEU 96 -9.289 1.146 -0.724 742 HA LEU 96 HA LEU 96 -11.712 2.430 -1.700 743 HB2 LEU 96 2HB LEU 96 -10.814 -0.264 -1.300 744 HB3 LEU 96 3HB LEU 96 -12.334 -0.009 -0.445 745 HG LEU 96 HG LEU 96 -12.598 1.076 -3.061 746 HD11 LEU 96 1HD1 LEU 96 -11.860 -0.490 -4.515 747 HD12 LEU 96 2HD1 LEU 96 -12.054 -1.813 -3.365 748 HD13 LEU 96 3HD1 LEU 96 -10.652 -0.749 -3.256 749 HD21 LEU 96 1HD2 LEU 96 -14.474 0.323 -1.818 750 HD22 LEU 96 2HD2 LEU 96 -13.780 -1.285 -1.615 751 HD23 LEU 96 3HD2 LEU 96 -14.320 -0.754 -3.207 752 H ASN 97 H ASN 97 -9.978 2.470 1.100 753 HA ASN 97 HA ASN 97 -10.423 2.953 3.284 754 HB2 ASN 97 2HB ASN 97 -12.978 4.245 2.380 755 HB3 ASN 97 3HB ASN 97 -11.846 4.776 3.621 756 HD21 ASN 97 1HD2 ASN 97 -9.965 5.847 3.019 757 HD22 ASN 97 2HD2 ASN 97 -9.770 6.541 1.449 758 H MET 98 H MET 98 -11.471 0.432 2.268 759 HA MET 98 HA MET 98 -13.926 0.104 3.838 760 HB2 MET 98 2HB MET 98 -12.818 -1.171 1.453 761 HB3 MET 98 3HB MET 98 -13.413 -2.329 2.637 762 HG2 MET 98 2HG MET 98 -15.038 -0.009 1.635 763 HG3 MET 98 3HG MET 98 -15.059 -1.607 0.893 764 HE1 MET 98 1HE MET 98 -15.743 -3.781 2.137 765 HE2 MET 98 2HE MET 98 -17.275 -3.697 3.007 766 HE3 MET 98 3HE MET 98 -17.144 -3.020 1.383 767 H THR 99 H THR 99 -13.058 0.080 5.915 768 HA THR 99 HA THR 99 -10.835 -1.360 6.778 769 HB THR 99 HB THR 99 -13.234 -1.042 8.553 770 HG1 THR 99 HG1 THR 99 -13.219 0.983 7.820 771 HG21 THR 99 1HG2 THR 99 -11.350 -2.055 9.602 772 HG22 THR 99 2HG2 THR 99 -11.405 -0.383 10.162 773 HG23 THR 99 3HG2 THR 99 -10.248 -0.860 8.920 774 H VAL 100 H VAL 100 -10.646 -3.445 6.114 775 HA VAL 100 HA VAL 100 -12.794 -5.313 6.120 776 HB VAL 100 HB VAL 100 -9.852 -5.979 6.102 777 HG11 VAL 100 1HG1 VAL 100 -10.939 -7.789 4.506 778 HG12 VAL 100 2HG1 VAL 100 -10.890 -8.008 6.257 779 HG13 VAL 100 3HG1 VAL 100 -12.366 -7.436 5.479 780 HG21 VAL 100 1HG2 VAL 100 -9.699 -4.810 4.210 781 HG22 VAL 100 2HG2 VAL 100 -10.746 -6.027 3.480 782 HG23 VAL 100 3HG2 VAL 100 -11.442 -4.548 4.143 783 H SER 101 H SER 101 -13.071 -7.149 7.456 784 HA SER 101 HA SER 101 -12.710 -6.636 10.223 785 HB2 SER 101 2HB SER 101 -14.268 -8.383 8.649 786 HB3 SER 101 3HB SER 101 -13.305 -9.410 9.710 787 HG SER 101 HG SER 101 -15.328 -7.620 10.322 788 H THR 102 H THR 102 -11.190 -8.903 7.961 789 HA THR 102 HA THR 102 -8.892 -9.081 9.758 790 HB THR 102 HB THR 102 -8.769 -11.450 9.750 791 HG1 THR 102 HG1 THR 102 -10.528 -12.631 8.595 792 HG21 THR 102 1HG2 THR 102 -11.715 -11.011 10.130 793 HG22 THR 102 2HG2 THR 102 -10.537 -10.301 11.233 794 HG23 THR 102 3HG2 THR 102 -10.622 -12.051 11.043 795 H ALA 103 H ALA 103 -6.939 -9.605 8.732 796 HA ALA 103 HA ALA 103 -6.518 -8.611 6.195 797 HB1 ALA 103 1HB ALA 103 -4.828 -9.205 8.043 798 HB2 ALA 103 2HB ALA 103 -4.789 -10.799 7.288 799 HB3 ALA 103 3HB ALA 103 -4.327 -9.372 6.361 800 H ALA 104 H ALA 104 -7.275 -11.910 7.173 801 HA ALA 104 HA ALA 104 -6.802 -13.169 4.702 802 HB1 ALA 104 1HB ALA 104 -8.980 -14.394 6.139 803 HB2 ALA 104 2HB ALA 104 -7.345 -14.993 5.846 804 HB3 ALA 104 3HB ALA 104 -7.668 -13.952 7.233 805 H ALA 105 H ALA 105 -9.776 -11.809 6.095 806 HA ALA 105 HA ALA 105 -11.530 -12.480 4.038 807 HB1 ALA 105 1HB ALA 105 -11.542 -10.724 6.331 808 HB2 ALA 105 2HB ALA 105 -12.410 -10.013 4.970 809 HB3 ALA 105 3HB ALA 105 -12.873 -11.603 5.577 810 H ALA 106 H ALA 106 -9.389 -9.690 4.387 811 HA ALA 106 HA ALA 106 -10.307 -8.209 2.190 812 HB1 ALA 106 1HB ALA 106 -8.794 -6.766 2.929 813 HB2 ALA 106 2HB ALA 106 -8.265 -7.975 4.101 814 HB3 ALA 106 3HB ALA 106 -7.481 -7.874 2.524 815 H GLU 107 H GLU 107 -7.566 -10.479 2.412 816 HA GLU 107 HA GLU 107 -6.713 -10.360 -0.217 817 HB2 GLU 107 2HB GLU 107 -5.518 -11.547 1.591 818 HB3 GLU 107 3HB GLU 107 -6.752 -12.800 1.567 819 HG2 GLU 107 2HG GLU 107 -6.144 -13.371 -0.720 820 HG3 GLU 107 3HG GLU 107 -4.923 -12.099 -0.720 821 H ASN 108 H ASN 108 -9.264 -12.358 1.205 822 HA ASN 108 HA ASN 108 -9.841 -13.843 -1.130 823 HB2 ASN 108 2HB ASN 108 -10.920 -13.570 1.542 824 HB3 ASN 108 3HB ASN 108 -12.215 -13.672 0.353 825 HD21 ASN 108 1HD2 ASN 108 -9.114 -15.211 1.126 826 HD22 ASN 108 2HD2 ASN 108 -9.634 -16.822 0.781 827 H MET 109 H MET 109 -10.889 -10.720 0.041 828 HA MET 109 HA MET 109 -13.108 -10.383 -1.673 829 HB2 MET 109 2HB MET 109 -12.010 -8.953 0.391 830 HB3 MET 109 3HB MET 109 -11.624 -7.941 -0.994 831 HG2 MET 109 2HG MET 109 -13.648 -7.071 -0.638 832 HG3 MET 109 3HG MET 109 -14.222 -8.505 -1.486 833 HE1 MET 109 1HE MET 109 -16.404 -9.983 0.013 834 HE2 MET 109 2HE MET 109 -17.005 -8.535 0.818 835 HE3 MET 109 3HE MET 109 -16.320 -8.422 -0.804 836 H TYR 110 H TYR 110 -9.736 -9.270 -1.949 837 HA TYR 110 HA TYR 110 -10.091 -8.143 -4.537 838 HB2 TYR 110 2HB TYR 110 -7.957 -8.402 -2.605 839 HB3 TYR 110 3HB TYR 110 -7.368 -8.754 -4.226 840 HD1 TYR 110 HD1 TYR 110 -6.105 -6.878 -4.799 841 HD2 TYR 110 HD2 TYR 110 -9.994 -6.338 -3.161 842 HE1 TYR 110 HE1 TYR 110 -5.963 -4.469 -5.273 843 HE2 TYR 110 HE2 TYR 110 -9.864 -3.927 -3.631 844 HH TYR 110 HH TYR 110 -7.996 -2.211 -3.937 845 H SER 111 H SER 111 -8.912 -11.249 -3.346 846 HA SER 111 HA SER 111 -7.973 -12.270 -5.788 847 HB2 SER 111 2HB SER 111 -7.266 -13.583 -4.041 848 HB3 SER 111 3HB SER 111 -8.794 -13.439 -3.173 849 HG SER 111 HG SER 111 -8.228 -15.542 -4.231 850 H GLN 112 H GLN 112 -11.095 -12.823 -4.157 851 HA GLN 112 HA GLN 112 -12.251 -14.306 -6.249 852 HB2 GLN 112 2HB GLN 112 -13.067 -14.191 -3.873 853 HB3 GLN 112 3HB GLN 112 -13.723 -12.601 -4.237 854 HG2 GLN 112 2HG GLN 112 -14.899 -13.900 -6.196 855 HG3 GLN 112 3HG GLN 112 -14.633 -15.282 -5.134 856 HE21 GLN 112 1HE2 GLN 112 -16.047 -15.639 -3.565 857 HE22 GLN 112 2HE2 GLN 112 -17.269 -14.535 -3.042 858 H MET 113 H MET 113 -12.010 -10.867 -5.655 859 HA MET 113 HA MET 113 -13.978 -9.952 -7.419 860 HB2 MET 113 2HB MET 113 -11.664 -8.824 -6.029 861 HB3 MET 113 3HB MET 113 -12.001 -8.037 -7.566 862 HG2 MET 113 2HG MET 113 -14.372 -8.476 -5.920 863 HG3 MET 113 3HG MET 113 -13.167 -7.427 -5.179 864 HE1 MET 113 1HE MET 113 -13.585 -5.420 -5.059 865 HE2 MET 113 2HE MET 113 -12.900 -4.528 -6.418 866 HE3 MET 113 3HE MET 113 -14.622 -4.400 -6.057 867 H GLY 114 H GLY 114 -10.791 -11.218 -7.993 868 HA2 GLY 114 2HA GLY 114 -10.524 -12.179 -10.270 869 HA3 GLY 114 3HA GLY 114 -11.137 -10.646 -10.873 870 H LEU 115 H LEU 115 -8.972 -10.694 -8.162 871 HA LEU 115 HA LEU 115 -6.868 -9.573 -9.891 872 HB2 LEU 115 2HB LEU 115 -7.448 -9.109 -6.970 873 HB3 LEU 115 3HB LEU 115 -6.038 -8.477 -7.817 874 HG LEU 115 HG LEU 115 -7.882 -7.413 -9.380 875 HD11 LEU 115 1HD1 LEU 115 -9.319 -7.764 -6.753 876 HD12 LEU 115 2HD1 LEU 115 -9.783 -8.461 -8.305 877 HD13 LEU 115 3HD1 LEU 115 -9.840 -6.714 -8.070 878 HD21 LEU 115 1HD2 LEU 115 -7.882 -5.786 -7.035 879 HD22 LEU 115 2HD2 LEU 115 -6.971 -5.579 -8.530 880 HD23 LEU 115 3HD2 LEU 115 -6.299 -6.543 -7.214 881 H ASP 116 H ASP 116 -7.675 -12.098 -7.721 882 HA ASP 116 HA ASP 116 -6.547 -13.944 -7.017 883 HB2 ASP 116 2HB ASP 116 -5.752 -13.804 -9.472 884 HB3 ASP 116 3HB ASP 116 -4.247 -13.183 -8.800 885 H THR 117 H THR 117 -4.814 -14.618 -5.626 886 HA THR 117 HA THR 117 -2.911 -12.613 -4.744 887 HB THR 117 HB THR 117 -3.602 -12.880 -2.340 888 HG1 THR 117 HG1 THR 117 -5.038 -14.435 -2.100 889 HG21 THR 117 1HG2 THR 117 -4.287 -10.986 -4.034 890 HG22 THR 117 2HG2 THR 117 -4.994 -11.048 -2.420 891 HG23 THR 117 3HG2 THR 117 -5.898 -11.661 -3.803 892 H ARG 118 H ARG 118 -4.355 -15.627 -3.484 893 HA ARG 118 HA ARG 118 -3.438 -17.623 -2.896 894 HB2 ARG 118 2HB ARG 118 -1.872 -16.723 -5.187 895 HB3 ARG 118 3HB ARG 118 -0.956 -17.776 -4.117 896 HG2 ARG 118 2HG ARG 118 -1.874 -19.347 -5.465 897 HG3 ARG 118 3HG ARG 118 -3.166 -19.228 -4.269 898 HD2 ARG 118 2HD ARG 118 -3.322 -17.324 -6.510 899 HD3 ARG 118 3HD ARG 118 -3.541 -19.021 -6.937 900 HE ARG 118 HE ARG 118 -5.377 -17.357 -5.518 901 HH11 ARG 118 1HH1 ARG 118 -4.258 -20.633 -5.886 902 HH12 ARG 118 2HH1 ARG 118 -5.749 -21.339 -5.354 903 HH21 ARG 118 1HH2 ARG 118 -7.343 -18.274 -4.818 904 HH22 ARG 118 2HH2 ARG 118 -7.503 -19.997 -4.747 905 HA PRO 119 HA PRO 119 -0.722 -16.955 0.483 906 HB2 PRO 119 2HB PRO 119 0.537 -19.350 0.708 907 HB3 PRO 119 3HB PRO 119 -1.160 -19.113 1.141 908 HG2 PRO 119 2HG PRO 119 0.014 -20.255 -1.365 909 HG3 PRO 119 3HG PRO 119 -1.375 -20.823 -0.421 910 HD2 PRO 119 2HD PRO 119 -1.651 -19.374 -2.692 911 HD3 PRO 119 3HD PRO 119 -2.799 -19.263 -1.343 912 H21 MYR 201 1H2 MYR 1 4.741 11.476 6.453 913 H22 MYR 201 2H2 MYR 1 5.745 10.344 7.339 914 H31 MYR 201 1H3 MYR 1 7.108 9.849 5.309 915 H32 MYR 201 2H3 MYR 1 6.395 11.204 4.432 916 H41 MYR 201 1H4 MYR 1 4.071 9.977 4.794 917 H42 MYR 201 2H4 MYR 1 5.026 8.565 5.254 918 H51 MYR 201 1H5 MYR 1 5.947 8.284 3.072 919 H52 MYR 201 2H5 MYR 1 5.762 9.988 2.649 920 H61 MYR 201 1H6 MYR 1 4.074 8.838 1.362 921 H62 MYR 201 2H6 MYR 1 3.190 9.628 2.670 922 H71 MYR 201 1H7 MYR 1 2.244 7.495 2.844 923 H72 MYR 201 2H7 MYR 1 3.598 7.276 3.956 924 H81 MYR 201 1H8 MYR 1 4.324 5.528 2.671 925 H82 MYR 201 2H8 MYR 1 4.701 6.669 1.379 926 H91 MYR 201 1H9 MYR 1 2.794 6.142 0.141 927 H92 MYR 201 2H9 MYR 1 1.775 5.941 1.567 928 H101 MYR 201 1H10 MYR 1 3.408 3.772 1.947 929 H102 MYR 201 2H10 MYR 1 3.589 3.890 0.204 930 H111 MYR 201 1H11 MYR 1 0.829 4.063 0.368 931 H112 MYR 201 2H11 MYR 1 1.144 3.223 1.878 932 H121 MYR 201 1H12 MYR 1 1.842 2.243 -0.954 933 H122 MYR 201 2H12 MYR 1 0.717 1.514 0.191 934 H131 MYR 201 1H13 MYR 1 2.872 1.290 1.783 935 H132 MYR 201 2H13 MYR 1 3.787 1.521 0.292 936 H141 MYR 201 1H14 MYR 1 1.544 -0.534 0.119 937 H142 MYR 201 2H14 MYR 1 3.184 -0.584 -0.569 938 H143 MYR 201 3H14 MYR 1 2.933 -0.970 1.148 Start of MODEL 6 1 H GLY 2 H GLY 2 8.507 10.330 4.509 2 HA2 GLY 2 2HA GLY 2 7.929 12.535 6.381 3 HA3 GLY 2 3HA GLY 2 9.577 12.209 5.865 4 H ASN 3 H ASN 3 6.350 12.797 4.468 5 HA ASN 3 HA ASN 3 7.669 14.434 2.403 6 HB2 ASN 3 2HB ASN 3 5.609 12.335 2.205 7 HB3 ASN 3 3HB ASN 3 5.265 13.793 1.280 8 HD21 ASN 3 1HD2 ASN 3 7.911 11.530 1.943 9 HD22 ASN 3 2HD2 ASN 3 8.535 11.521 0.332 10 H GLY 4 H GLY 4 4.737 14.022 4.357 11 HA2 GLY 4 2HA GLY 4 4.426 16.541 5.285 12 HA3 GLY 4 3HA GLY 4 3.755 16.653 3.664 13 H GLN 5 H GLN 5 1.861 17.269 5.106 14 HA GLN 5 HA GLN 5 0.523 15.293 6.619 15 HB2 GLN 5 2HB GLN 5 0.216 17.963 6.321 16 HB3 GLN 5 3HB GLN 5 -1.113 17.389 5.322 17 HG2 GLN 5 2HG GLN 5 -1.642 15.900 7.403 18 HG3 GLN 5 3HG GLN 5 -0.691 17.116 8.254 19 HE21 GLN 5 1HE2 GLN 5 -2.358 17.983 9.406 20 HE22 GLN 5 2HE2 GLN 5 -3.658 18.864 8.686 21 H GLY 6 H GLY 6 -0.745 13.649 6.030 22 HA2 GLY 6 2HA GLY 6 -1.930 13.666 3.339 23 HA3 GLY 6 3HA GLY 6 -0.941 12.299 3.827 24 H ARG 7 H ARG 7 -4.018 13.209 3.435 25 HA ARG 7 HA ARG 7 -5.232 12.248 5.834 26 HB2 ARG 7 2HB ARG 7 -6.110 13.325 3.265 27 HB3 ARG 7 3HB ARG 7 -7.157 12.043 3.860 28 HG2 ARG 7 2HG ARG 7 -6.802 13.566 6.097 29 HG3 ARG 7 3HG ARG 7 -6.804 14.779 4.814 30 HD2 ARG 7 2HD ARG 7 -8.922 12.681 5.275 31 HD3 ARG 7 3HD ARG 7 -9.055 14.391 5.684 32 HE ARG 7 HE ARG 7 -8.452 14.198 2.965 33 HH11 ARG 7 1HH1 ARG 7 -11.039 13.398 5.155 34 HH12 ARG 7 2HH1 ARG 7 -12.280 13.568 3.957 35 HH21 ARG 7 1HH2 ARG 7 -10.076 14.424 1.380 36 HH22 ARG 7 2HH2 ARG 7 -11.731 14.150 1.810 37 H ASP 8 H ASP 8 -5.123 10.908 2.527 38 HA ASP 8 HA ASP 8 -6.233 8.423 3.137 39 HB2 ASP 8 2HB ASP 8 -4.583 9.516 0.922 40 HB3 ASP 8 3HB ASP 8 -4.660 7.763 1.066 41 H TRP 9 H TRP 9 -3.024 9.650 3.626 42 HA TRP 9 HA TRP 9 -1.754 7.111 3.963 43 HB2 TRP 9 2HB TRP 9 -0.403 9.009 3.344 44 HB3 TRP 9 3HB TRP 9 -0.928 9.905 4.766 45 HD1 TRP 9 HD1 TRP 9 0.794 9.919 6.646 46 HE1 TRP 9 HE1 TRP 9 2.717 8.386 7.410 47 HE3 TRP 9 HE3 TRP 9 0.251 6.165 3.218 48 HZ2 TRP 9 HZ2 TRP 9 3.852 5.914 6.657 49 HZ3 TRP 9 HZ3 TRP 9 1.795 4.253 3.308 50 HH2 TRP 9 HH2 TRP 9 3.559 4.132 4.992 51 H LYS 10 H LYS 10 -2.359 9.695 6.351 52 HA LYS 10 HA LYS 10 -1.909 8.131 8.613 53 HB2 LYS 10 2HB LYS 10 -3.082 10.750 8.032 54 HB3 LYS 10 3HB LYS 10 -3.765 9.985 9.460 55 HG2 LYS 10 2HG LYS 10 -1.637 9.844 10.505 56 HG3 LYS 10 3HG LYS 10 -0.809 10.321 9.020 57 HD2 LYS 10 2HD LYS 10 -1.261 12.519 9.318 58 HD3 LYS 10 3HD LYS 10 -2.848 12.205 10.025 59 HE2 LYS 10 2HE LYS 10 -1.547 11.338 12.061 60 HE3 LYS 10 3HE LYS 10 -0.154 12.150 11.348 61 HZ1 LYS 10 1HZ LYS 10 -2.510 13.795 11.471 62 HZ2 LYS 10 2HZ LYS 10 -0.923 14.141 11.945 63 HZ3 LYS 10 3HZ LYS 10 -1.956 13.307 12.993 64 H MET 11 H MET 11 -4.809 8.585 6.688 65 HA MET 11 HA MET 11 -6.581 7.307 8.517 66 HB2 MET 11 2HB MET 11 -7.435 8.849 6.845 67 HB3 MET 11 3HB MET 11 -6.828 7.826 5.549 68 HG2 MET 11 2HG MET 11 -8.424 6.158 5.973 69 HG3 MET 11 3HG MET 11 -8.847 6.849 7.538 70 HE1 MET 11 1HE MET 11 -11.190 9.612 6.940 71 HE2 MET 11 2HE MET 11 -11.493 7.965 7.494 72 HE3 MET 11 3HE MET 11 -10.022 8.806 7.988 73 H ALA 12 H ALA 12 -4.605 6.225 5.821 74 HA ALA 12 HA ALA 12 -5.708 3.650 5.531 75 HB1 ALA 12 1HB ALA 12 -3.514 3.101 4.454 76 HB2 ALA 12 2HB ALA 12 -4.333 4.516 3.790 77 HB3 ALA 12 3HB ALA 12 -2.969 4.721 4.887 78 H ILE 13 H ILE 13 -3.080 4.885 7.551 79 HA ILE 13 HA ILE 13 -2.295 2.350 8.567 80 HB ILE 13 HB ILE 13 -1.865 5.105 9.728 81 HG12 ILE 13 2HG1 ILE 13 -0.894 4.756 7.472 82 HG13 ILE 13 3HG1 ILE 13 0.338 4.980 8.708 83 HG21 ILE 13 1HG2 ILE 13 -0.961 2.395 10.558 84 HG22 ILE 13 2HG2 ILE 13 0.152 3.749 10.745 85 HG23 ILE 13 3HG2 ILE 13 -1.420 3.785 11.542 86 HD11 ILE 13 1HD1 ILE 13 0.744 2.591 8.761 87 HD12 ILE 13 2HD1 ILE 13 -0.526 2.336 7.563 88 HD13 ILE 13 3HD1 ILE 13 0.934 3.224 7.126 89 H LYS 14 H LYS 14 -4.060 5.034 10.122 90 HA LYS 14 HA LYS 14 -4.735 3.769 12.479 91 HB2 LYS 14 2HB LYS 14 -5.140 6.209 11.702 92 HB3 LYS 14 3HB LYS 14 -6.673 5.599 11.090 93 HG2 LYS 14 2HG LYS 14 -7.582 5.567 13.119 94 HG3 LYS 14 3HG LYS 14 -6.172 4.779 13.830 95 HD2 LYS 14 2HD LYS 14 -5.080 7.134 13.586 96 HD3 LYS 14 3HD LYS 14 -6.751 7.694 13.496 97 HE2 LYS 14 2HE LYS 14 -6.305 7.838 15.760 98 HE3 LYS 14 3HE LYS 14 -7.079 6.259 15.632 99 HZ1 LYS 14 1HZ LYS 14 -5.292 5.536 16.726 100 HZ2 LYS 14 2HZ LYS 14 -4.386 6.925 16.395 101 HZ3 LYS 14 3HZ LYS 14 -4.470 5.679 15.255 102 H ARG 15 H ARG 15 -6.249 3.519 9.322 103 HA ARG 15 HA ARG 15 -8.459 1.945 10.318 104 HB2 ARG 15 2HB ARG 15 -7.573 2.785 7.564 105 HB3 ARG 15 3HB ARG 15 -8.903 1.660 7.811 106 HG2 ARG 15 2HG ARG 15 -9.986 3.417 9.243 107 HG3 ARG 15 3HG ARG 15 -8.733 4.529 8.689 108 HD2 ARG 15 2HD ARG 15 -10.085 4.983 6.975 109 HD3 ARG 15 3HD ARG 15 -9.653 3.391 6.354 110 HE ARG 15 HE ARG 15 -11.767 2.676 6.843 111 HH11 ARG 15 1HH1 ARG 15 -11.132 5.607 8.610 112 HH12 ARG 15 2HH1 ARG 15 -12.755 5.758 9.199 113 HH21 ARG 15 1HH2 ARG 15 -13.906 2.863 7.612 114 HH22 ARG 15 2HH2 ARG 15 -14.331 4.196 8.631 115 H CYS 16 H CYS 16 -5.315 1.403 8.952 116 HA CYS 16 HA CYS 16 -5.634 -1.223 8.023 117 HB2 CYS 16 2HB CYS 16 -3.667 0.039 7.435 118 HB3 CYS 16 3HB CYS 16 -3.206 0.198 9.126 119 HG CYS 16 HG CYS 16 -3.150 -2.669 7.261 120 H SER 17 H SER 17 -4.631 0.000 11.200 121 HA SER 17 HA SER 17 -4.246 -2.555 12.365 122 HB2 SER 17 2HB SER 17 -4.307 -1.307 14.530 123 HB3 SER 17 3HB SER 17 -3.196 -0.610 13.351 124 HG SER 17 HG SER 17 -4.275 1.164 13.605 125 H ASN 18 H ASN 18 -7.039 -0.898 11.474 126 HA ASN 18 HA ASN 18 -8.809 -1.726 13.533 127 HB2 ASN 18 2HB ASN 18 -9.137 0.109 11.738 128 HB3 ASN 18 3HB ASN 18 -9.666 -1.208 10.696 129 HD21 ASN 18 1HD2 ASN 18 -11.526 -2.403 11.289 130 HD22 ASN 18 2HD2 ASN 18 -12.726 -1.711 12.322 131 H VAL 19 H VAL 19 -7.472 -3.295 10.760 132 HA VAL 19 HA VAL 19 -9.460 -5.405 10.722 133 HB VAL 19 HB VAL 19 -8.254 -6.340 8.884 134 HG11 VAL 19 1HG1 VAL 19 -9.539 -4.113 8.638 135 HG12 VAL 19 2HG1 VAL 19 -7.940 -3.398 8.419 136 HG13 VAL 19 3HG1 VAL 19 -8.508 -4.649 7.312 137 HG21 VAL 19 1HG2 VAL 19 -6.028 -6.341 8.979 138 HG22 VAL 19 2HG2 VAL 19 -6.085 -4.685 8.377 139 HG23 VAL 19 3HG2 VAL 19 -6.006 -4.989 10.112 140 H ALA 20 H ALA 20 -9.072 -7.573 11.238 141 HA ALA 20 HA ALA 20 -7.008 -7.950 13.274 142 HB1 ALA 20 1HB ALA 20 -8.890 -10.146 12.754 143 HB2 ALA 20 2HB ALA 20 -8.395 -9.407 14.277 144 HB3 ALA 20 3HB ALA 20 -9.628 -8.634 13.281 145 H VAL 21 H VAL 21 -5.112 -8.663 12.547 146 HA VAL 21 HA VAL 21 -4.639 -9.913 10.098 147 HB VAL 21 HB VAL 21 -2.928 -10.244 12.562 148 HG11 VAL 21 1HG1 VAL 21 -2.226 -10.215 9.629 149 HG12 VAL 21 2HG1 VAL 21 -1.098 -10.429 10.968 150 HG13 VAL 21 3HG1 VAL 21 -2.329 -11.651 10.647 151 HG21 VAL 21 1HG2 VAL 21 -3.637 -7.848 11.136 152 HG22 VAL 21 2HG2 VAL 21 -2.648 -8.038 12.585 153 HG23 VAL 21 3HG2 VAL 21 -1.908 -8.167 10.989 154 H GLY 22 H GLY 22 -5.678 -11.219 13.140 155 HA2 GLY 22 2HA GLY 22 -5.267 -13.957 12.130 156 HA3 GLY 22 3HA GLY 22 -5.481 -13.527 13.820 157 H VAL 23 H VAL 23 -6.973 -14.821 11.159 158 HA VAL 23 HA VAL 23 -9.641 -13.856 11.629 159 HB VAL 23 HB VAL 23 -8.898 -14.604 9.389 160 HG11 VAL 23 1HG1 VAL 23 -7.491 -16.473 10.088 161 HG12 VAL 23 2HG1 VAL 23 -8.922 -17.359 10.618 162 HG13 VAL 23 3HG1 VAL 23 -8.696 -16.989 8.908 163 HG21 VAL 23 1HG2 VAL 23 -11.029 -16.539 9.898 164 HG22 VAL 23 2HG2 VAL 23 -11.341 -14.939 10.570 165 HG23 VAL 23 3HG2 VAL 23 -11.010 -15.123 8.848 166 H GLY 24 H GLY 24 -7.684 -16.523 12.717 167 HA2 GLY 24 2HA GLY 24 -9.535 -17.161 14.793 168 HA3 GLY 24 3HA GLY 24 -9.563 -18.375 13.523 169 H GLY 25 H GLY 25 -8.043 -17.344 16.352 170 HA2 GLY 25 2HA GLY 25 -6.616 -19.473 17.021 171 HA3 GLY 25 3HA GLY 25 -5.553 -18.769 15.812 172 H LYS 26 H LYS 26 -5.879 -16.066 16.356 173 HA LYS 26 HA LYS 26 -5.387 -15.611 19.166 174 HB2 LYS 26 2HB LYS 26 -3.203 -16.373 17.809 175 HB3 LYS 26 3HB LYS 26 -3.173 -14.656 17.431 176 HG2 LYS 26 2HG LYS 26 -1.973 -14.542 19.325 177 HG3 LYS 26 3HG LYS 26 -3.565 -14.536 20.087 178 HD2 LYS 26 2HD LYS 26 -3.309 -17.121 20.044 179 HD3 LYS 26 3HD LYS 26 -1.590 -16.772 19.839 180 HE2 LYS 26 2HE LYS 26 -2.832 -15.201 21.956 181 HE3 LYS 26 3HE LYS 26 -2.941 -16.939 22.235 182 HZ1 LYS 26 1HZ LYS 26 -0.903 -16.629 23.094 183 HZ2 LYS 26 2HZ LYS 26 -0.613 -15.209 22.224 184 HZ3 LYS 26 3HZ LYS 26 -0.400 -16.714 21.481 185 H SER 27 H SER 27 -6.143 -13.669 19.709 186 HA SER 27 HA SER 27 -7.211 -11.923 17.726 187 HB2 SER 27 2HB SER 27 -7.818 -10.484 19.649 188 HB3 SER 27 3HB SER 27 -8.302 -12.161 19.897 189 HG SER 27 HG SER 27 -7.315 -11.473 21.761 190 H LYS 28 H LYS 28 -5.555 -11.160 16.438 191 HA LYS 28 HA LYS 28 -3.883 -9.101 17.677 192 HB2 LYS 28 2HB LYS 28 -2.893 -11.326 15.893 193 HB3 LYS 28 3HB LYS 28 -1.977 -9.854 16.186 194 HG2 LYS 28 2HG LYS 28 -2.428 -10.553 18.714 195 HG3 LYS 28 3HG LYS 28 -2.506 -12.152 17.972 196 HD2 LYS 28 2HD LYS 28 -0.260 -10.494 17.067 197 HD3 LYS 28 3HD LYS 28 -0.215 -10.917 18.780 198 HE2 LYS 28 2HE LYS 28 0.404 -13.000 18.308 199 HE3 LYS 28 3HE LYS 28 -0.954 -13.204 17.203 200 HZ1 LYS 28 1HZ LYS 28 1.292 -11.623 16.235 201 HZ2 LYS 28 2HZ LYS 28 0.314 -12.731 15.414 202 HZ3 LYS 28 3HZ LYS 28 1.563 -13.283 16.412 203 H LYS 29 H LYS 29 -4.189 -7.247 16.651 204 HA LYS 29 HA LYS 29 -5.240 -7.285 13.918 205 HB2 LYS 29 2HB LYS 29 -6.032 -5.086 14.302 206 HB3 LYS 29 3HB LYS 29 -6.377 -5.983 15.774 207 HG2 LYS 29 2HG LYS 29 -4.034 -5.013 16.501 208 HG3 LYS 29 3HG LYS 29 -4.438 -3.786 15.297 209 HD2 LYS 29 2HD LYS 29 -6.615 -3.456 16.458 210 HD3 LYS 29 3HD LYS 29 -6.070 -4.574 17.710 211 HE2 LYS 29 2HE LYS 29 -4.326 -3.118 18.376 212 HE3 LYS 29 3HE LYS 29 -4.528 -2.107 16.946 213 HZ1 LYS 29 1HZ LYS 29 -6.274 -1.025 17.846 214 HZ2 LYS 29 2HZ LYS 29 -5.552 -1.488 19.303 215 HZ3 LYS 29 3HZ LYS 29 -6.849 -2.378 18.682 216 H PHE 30 H PHE 30 -4.453 -5.546 12.436 217 HA PHE 30 HA PHE 30 -1.607 -5.710 12.213 218 HB2 PHE 30 2HB PHE 30 -3.842 -4.826 10.550 219 HB3 PHE 30 3HB PHE 30 -2.413 -3.813 10.370 220 HD1 PHE 30 HD1 PHE 30 -0.171 -5.494 10.449 221 HD2 PHE 30 HD2 PHE 30 -4.023 -6.346 8.853 222 HE1 PHE 30 HE1 PHE 30 0.825 -7.168 8.944 223 HE2 PHE 30 HE2 PHE 30 -3.034 -8.021 7.348 224 HZ PHE 30 HZ PHE 30 -0.607 -8.435 7.392 225 H GLY 31 H GLY 31 -0.559 -3.455 11.414 226 HA2 GLY 31 2HA GLY 31 -1.329 -1.126 12.854 227 HA3 GLY 31 3HA GLY 31 -0.043 -1.976 13.697 228 H GLU 32 H GLU 32 0.553 0.494 12.964 229 HA GLU 32 HA GLU 32 1.494 0.952 10.382 230 HB2 GLU 32 2HB GLU 32 1.267 2.717 12.075 231 HB3 GLU 32 3HB GLU 32 2.595 2.017 12.990 232 HG2 GLU 32 2HG GLU 32 4.057 2.411 10.997 233 HG3 GLU 32 3HG GLU 32 2.720 3.308 10.280 234 H GLY 33 H GLY 33 3.215 -0.354 13.210 235 HA2 GLY 33 2HA GLY 33 5.720 -0.659 11.971 236 HA3 GLY 33 3HA GLY 33 5.163 -1.557 13.375 237 H ASN 34 H ASN 34 3.137 -3.065 12.463 238 HA ASN 34 HA ASN 34 4.415 -5.194 11.188 239 HB2 ASN 34 2HB ASN 34 1.438 -4.660 11.296 240 HB3 ASN 34 3HB ASN 34 2.210 -6.220 11.027 241 HD21 ASN 34 1HD2 ASN 34 3.166 -7.292 12.742 242 HD22 ASN 34 2HD2 ASN 34 2.876 -6.848 14.386 243 H PHE 35 H PHE 35 2.126 -2.811 9.877 244 HA PHE 35 HA PHE 35 1.914 -3.764 7.292 245 HB2 PHE 35 2HB PHE 35 0.507 -1.961 8.004 246 HB3 PHE 35 3HB PHE 35 1.894 -0.928 8.329 247 HD1 PHE 35 HD1 PHE 35 0.984 -3.019 5.382 248 HD2 PHE 35 HD2 PHE 35 1.812 0.870 6.900 249 HE1 PHE 35 HE1 PHE 35 0.828 -2.101 3.104 250 HE2 PHE 35 HE2 PHE 35 1.657 1.794 4.625 251 HZ PHE 35 HZ PHE 35 1.163 0.309 2.723 252 H ARG 36 H ARG 36 4.394 -1.653 8.678 253 HA ARG 36 HA ARG 36 5.780 -1.129 6.284 254 HB2 ARG 36 2HB ARG 36 6.838 -1.210 9.116 255 HB3 ARG 36 3HB ARG 36 7.655 -0.477 7.741 256 HG2 ARG 36 2HG ARG 36 4.924 0.488 8.207 257 HG3 ARG 36 3HG ARG 36 6.080 0.857 9.489 258 HD2 ARG 36 2HD ARG 36 7.610 1.622 7.541 259 HD3 ARG 36 3HD ARG 36 6.113 1.681 6.611 260 HE ARG 36 HE ARG 36 5.523 3.100 8.841 261 HH11 ARG 36 1HH1 ARG 36 8.098 3.258 6.503 262 HH12 ARG 36 2HH1 ARG 36 8.326 4.966 6.675 263 HH21 ARG 36 1HH2 ARG 36 5.812 5.351 9.075 264 HH22 ARG 36 2HH2 ARG 36 7.025 6.156 8.139 265 H TRP 37 H TRP 37 6.375 -3.541 8.833 266 HA TRP 37 HA TRP 37 8.628 -4.748 7.795 267 HB2 TRP 37 2HB TRP 37 7.895 -5.389 9.965 268 HB3 TRP 37 3HB TRP 37 6.324 -5.905 9.360 269 HD1 TRP 37 HD1 TRP 37 9.837 -7.138 9.946 270 HE1 TRP 37 HE1 TRP 37 9.984 -9.631 9.325 271 HE3 TRP 37 HE3 TRP 37 5.301 -7.671 7.646 272 HZ2 TRP 37 HZ2 TRP 37 8.390 -11.568 8.030 273 HZ3 TRP 37 HZ3 TRP 37 4.690 -9.877 6.743 274 HH2 TRP 37 HH2 TRP 37 6.203 -11.783 6.932 275 H ALA 38 H ALA 38 5.274 -5.147 6.849 276 HA ALA 38 HA ALA 38 5.677 -7.426 5.193 277 HB1 ALA 38 1HB ALA 38 3.478 -5.464 5.606 278 HB2 ALA 38 2HB ALA 38 3.445 -6.480 4.165 279 HB3 ALA 38 3HB ALA 38 3.471 -7.220 5.765 280 H ILE 39 H ILE 39 4.987 -4.035 4.304 281 HA ILE 39 HA ILE 39 5.498 -4.281 1.585 282 HB ILE 39 HB ILE 39 5.937 -1.822 1.615 283 HG12 ILE 39 2HG1 ILE 39 5.572 -2.187 4.596 284 HG13 ILE 39 3HG1 ILE 39 7.042 -1.659 3.783 285 HG21 ILE 39 1HG2 ILE 39 3.729 -1.466 1.617 286 HG22 ILE 39 2HG2 ILE 39 3.599 -3.187 1.976 287 HG23 ILE 39 3HG2 ILE 39 3.548 -2.007 3.286 288 HD11 ILE 39 1HD1 ILE 39 4.716 -0.139 4.599 289 HD12 ILE 39 2HD1 ILE 39 6.340 0.407 4.180 290 HD13 ILE 39 3HD1 ILE 39 5.145 0.137 2.911 291 H ARG 40 H ARG 40 7.709 -3.696 4.259 292 HA ARG 40 HA ARG 40 9.981 -2.995 2.769 293 HB2 ARG 40 2HB ARG 40 9.701 -2.770 5.256 294 HB3 ARG 40 3HB ARG 40 9.955 -4.505 5.383 295 HG2 ARG 40 2HG ARG 40 12.184 -4.280 4.472 296 HG3 ARG 40 3HG ARG 40 11.934 -2.550 4.232 297 HD2 ARG 40 2HD ARG 40 12.700 -2.198 6.285 298 HD3 ARG 40 3HD ARG 40 11.307 -3.073 6.919 299 HE ARG 40 HE ARG 40 13.068 -5.035 6.253 300 HH11 ARG 40 1HH1 ARG 40 13.241 -2.180 8.238 301 HH12 ARG 40 2HH1 ARG 40 14.411 -2.849 9.326 302 HH21 ARG 40 1HH2 ARG 40 14.609 -5.927 7.679 303 HH22 ARG 40 2HH2 ARG 40 15.189 -4.981 9.007 304 H MET 41 H MET 41 9.025 -6.166 4.094 305 HA MET 41 HA MET 41 11.148 -7.592 2.890 306 HB2 MET 41 2HB MET 41 9.709 -8.335 4.844 307 HB3 MET 41 3HB MET 41 8.469 -8.741 3.666 308 HG2 MET 41 2HG MET 41 9.634 -10.524 2.840 309 HG3 MET 41 3HG MET 41 11.199 -9.852 3.295 310 HE1 MET 41 1HE MET 41 11.966 -12.570 4.998 311 HE2 MET 41 2HE MET 41 12.455 -10.974 4.430 312 HE3 MET 41 3HE MET 41 12.290 -11.283 6.160 313 H ALA 42 H ALA 42 7.794 -7.008 1.914 314 HA ALA 42 HA ALA 42 7.790 -8.652 -0.366 315 HB1 ALA 42 1HB ALA 42 5.749 -7.767 0.661 316 HB2 ALA 42 2HB ALA 42 6.189 -6.144 0.128 317 HB3 ALA 42 3HB ALA 42 5.827 -7.396 -1.061 318 H ASN 43 H ASN 43 8.784 -5.309 0.125 319 HA ASN 43 HA ASN 43 9.084 -4.614 -2.592 320 HB2 ASN 43 2HB ASN 43 10.218 -3.531 -0.028 321 HB3 ASN 43 3HB ASN 43 10.747 -2.894 -1.582 322 HD21 ASN 43 1HD2 ASN 43 9.440 -1.390 0.383 323 HD22 ASN 43 2HD2 ASN 43 7.907 -0.895 -0.242 324 H VAL 44 H VAL 44 11.552 -5.545 -0.189 325 HA VAL 44 HA VAL 44 13.706 -5.668 -1.971 326 HB VAL 44 HB VAL 44 14.084 -5.628 0.417 327 HG11 VAL 44 1HG1 VAL 44 13.562 -7.485 1.866 328 HG12 VAL 44 2HG1 VAL 44 12.090 -6.949 1.052 329 HG13 VAL 44 3HG1 VAL 44 12.919 -8.408 0.508 330 HG21 VAL 44 1HG2 VAL 44 15.814 -7.279 0.581 331 HG22 VAL 44 2HG2 VAL 44 15.055 -8.270 -0.664 332 HG23 VAL 44 3HG2 VAL 44 15.755 -6.708 -1.087 333 H SER 45 H SER 45 11.332 -8.099 -1.029 334 HA SER 45 HA SER 45 12.581 -10.292 -2.312 335 HB2 SER 45 2HB SER 45 10.723 -10.338 -0.539 336 HB3 SER 45 3HB SER 45 9.608 -10.042 -1.873 337 HG SER 45 HG SER 45 11.161 -12.299 -1.307 338 H THR 46 H THR 46 10.629 -7.682 -3.453 339 HA THR 46 HA THR 46 10.203 -9.010 -6.033 340 HB THR 46 HB THR 46 8.743 -7.040 -6.544 341 HG1 THR 46 HG1 THR 46 9.717 -5.603 -4.999 342 HG21 THR 46 1HG2 THR 46 8.143 -8.748 -4.136 343 HG22 THR 46 2HG2 THR 46 7.644 -9.010 -5.806 344 HG23 THR 46 3HG2 THR 46 6.949 -7.684 -4.876 345 H GLY 47 H GLY 47 12.532 -7.219 -4.623 346 HA2 GLY 47 2HA GLY 47 14.214 -5.849 -5.381 347 HA3 GLY 47 3HA GLY 47 13.967 -6.665 -6.919 348 H ARG 48 H ARG 48 11.640 -4.609 -5.244 349 HA ARG 48 HA ARG 48 11.586 -2.875 -7.603 350 HB2 ARG 48 2HB ARG 48 9.500 -3.995 -6.542 351 HB3 ARG 48 3HB ARG 48 9.635 -2.733 -5.326 352 HG2 ARG 48 2HG ARG 48 9.097 -1.056 -6.808 353 HG3 ARG 48 3HG ARG 48 9.604 -1.994 -8.213 354 HD2 ARG 48 2HD ARG 48 7.635 -3.567 -7.457 355 HD3 ARG 48 3HD ARG 48 7.058 -2.098 -6.671 356 HE ARG 48 HE ARG 48 6.502 -1.265 -8.726 357 HH11 ARG 48 1HH1 ARG 48 8.696 -3.937 -9.142 358 HH12 ARG 48 2HH1 ARG 48 8.533 -3.972 -10.867 359 HH21 ARG 48 1HH2 ARG 48 6.279 -1.302 -10.996 360 HH22 ARG 48 2HH2 ARG 48 7.158 -2.471 -11.920 361 H GLU 49 H GLU 49 13.817 -2.471 -6.101 362 HA GLU 49 HA GLU 49 15.047 -0.829 -5.119 363 HB2 GLU 49 2HB GLU 49 12.784 0.563 -6.340 364 HB3 GLU 49 3HB GLU 49 13.465 1.430 -4.970 365 HG2 GLU 49 2HG GLU 49 14.586 2.234 -6.869 366 HG3 GLU 49 3HG GLU 49 15.718 1.147 -6.065 367 HA PRO 50 HA PRO 50 14.044 -0.713 -0.852 368 HB2 PRO 50 2HB PRO 50 15.298 1.545 -0.016 369 HB3 PRO 50 3HB PRO 50 16.168 0.076 -0.471 370 HG2 PRO 50 2HG PRO 50 15.674 2.557 -2.071 371 HG3 PRO 50 3HG PRO 50 17.160 1.600 -1.921 372 HD2 PRO 50 2HD PRO 50 15.502 1.392 -4.051 373 HD3 PRO 50 3HD PRO 50 16.443 0.018 -3.436 374 H GLY 51 H GLY 51 13.740 2.543 -2.293 375 HA2 GLY 51 2HA GLY 51 11.677 3.280 -0.408 376 HA3 GLY 51 3HA GLY 51 12.291 4.267 -1.727 377 H ASP 52 H ASP 52 10.198 1.507 -0.996 378 HA ASP 52 HA ASP 52 8.668 2.126 -3.437 379 HB2 ASP 52 2HB ASP 52 9.731 -0.330 -2.525 380 HB3 ASP 52 3HB ASP 52 7.983 -0.436 -2.330 381 H ILE 53 H ILE 53 7.251 3.620 -2.604 382 HA ILE 53 HA ILE 53 5.407 2.613 -0.537 383 HB ILE 53 HB ILE 53 5.022 5.084 -0.003 384 HG12 ILE 53 2HG1 ILE 53 7.691 5.294 -1.412 385 HG13 ILE 53 3HG1 ILE 53 6.178 6.004 -1.964 386 HG21 ILE 53 1HG2 ILE 53 6.269 3.392 1.388 387 HG22 ILE 53 2HG2 ILE 53 7.754 4.040 0.695 388 HG23 ILE 53 3HG2 ILE 53 6.707 5.078 1.661 389 HD11 ILE 53 1HD1 ILE 53 8.120 7.134 -0.278 390 HD12 ILE 53 2HD1 ILE 53 6.567 7.815 -0.765 391 HD13 ILE 53 3HD1 ILE 53 6.685 6.853 0.708 392 HA PRO 54 HA PRO 54 3.041 3.467 -4.431 393 HB2 PRO 54 2HB PRO 54 1.533 1.214 -4.277 394 HB3 PRO 54 3HB PRO 54 3.127 1.252 -5.040 395 HG2 PRO 54 2HG PRO 54 2.362 0.334 -2.295 396 HG3 PRO 54 3HG PRO 54 3.475 -0.414 -3.455 397 HD2 PRO 54 2HD PRO 54 4.335 1.076 -1.364 398 HD3 PRO 54 3HD PRO 54 5.200 1.016 -2.913 399 H GLU 55 H GLU 55 1.207 4.620 -4.407 400 HA GLU 55 HA GLU 55 -0.618 4.293 -2.117 401 HB2 GLU 55 2HB GLU 55 0.938 6.524 -2.621 402 HB3 GLU 55 3HB GLU 55 -0.621 6.960 -3.304 403 HG2 GLU 55 2HG GLU 55 -0.642 5.757 -0.607 404 HG3 GLU 55 3HG GLU 55 0.025 7.381 -0.754 405 H THR 56 H THR 56 -0.804 3.028 -4.683 406 HA THR 56 HA THR 56 -3.395 4.113 -5.519 407 HB THR 56 HB THR 56 -2.925 3.994 -7.839 408 HG1 THR 56 HG1 THR 56 -0.785 2.436 -6.987 409 HG21 THR 56 1HG2 THR 56 -1.170 5.614 -8.140 410 HG22 THR 56 2HG2 THR 56 -0.455 5.192 -6.584 411 HG23 THR 56 3HG2 THR 56 -2.026 5.990 -6.645 412 H LEU 57 H LEU 57 -4.793 2.576 -6.513 413 HA LEU 57 HA LEU 57 -4.634 -0.014 -5.391 414 HB2 LEU 57 2HB LEU 57 -6.692 1.356 -6.130 415 HB3 LEU 57 3HB LEU 57 -6.377 0.681 -7.728 416 HG LEU 57 HG LEU 57 -6.603 -1.596 -6.728 417 HD11 LEU 57 1HD1 LEU 57 -6.113 -1.058 -4.418 418 HD12 LEU 57 2HD1 LEU 57 -7.718 -1.775 -4.547 419 HD13 LEU 57 3HD1 LEU 57 -7.546 -0.034 -4.329 420 HD21 LEU 57 1HD2 LEU 57 -9.203 -0.694 -6.052 421 HD22 LEU 57 2HD2 LEU 57 -8.656 -1.445 -7.552 422 HD23 LEU 57 3HD2 LEU 57 -8.609 0.310 -7.375 423 H ASP 58 H ASP 58 -3.630 1.323 -8.438 424 HA ASP 58 HA ASP 58 -3.414 -1.112 -9.877 425 HB2 ASP 58 2HB ASP 58 -2.585 1.690 -10.254 426 HB3 ASP 58 3HB ASP 58 -1.555 0.503 -11.049 427 H GLN 59 H GLN 59 -1.150 0.746 -7.897 428 HA GLN 59 HA GLN 59 1.114 -0.867 -8.430 429 HB2 GLN 59 2HB GLN 59 0.480 0.975 -6.123 430 HB3 GLN 59 3HB GLN 59 2.044 0.206 -6.362 431 HG2 GLN 59 2HG GLN 59 2.576 1.520 -8.155 432 HG3 GLN 59 3HG GLN 59 0.890 1.804 -8.586 433 HE21 GLN 59 1HE2 GLN 59 3.117 3.680 -8.212 434 HE22 GLN 59 2HE2 GLN 59 2.584 4.807 -7.017 435 H LEU 60 H LEU 60 -1.113 -0.766 -5.653 436 HA LEU 60 HA LEU 60 0.007 -2.836 -4.178 437 HB2 LEU 60 2HB LEU 60 -2.697 -1.618 -4.362 438 HB3 LEU 60 3HB LEU 60 -2.533 -3.139 -3.488 439 HG LEU 60 HG LEU 60 -2.471 -1.143 -2.027 440 HD11 LEU 60 1HD1 LEU 60 -0.669 -3.347 -2.079 441 HD12 LEU 60 2HD1 LEU 60 -1.326 -2.485 -0.688 442 HD13 LEU 60 3HD1 LEU 60 0.174 -1.937 -1.436 443 HD21 LEU 60 1HD2 LEU 60 -0.380 0.211 -2.043 444 HD22 LEU 60 2HD2 LEU 60 -1.408 0.457 -3.454 445 HD23 LEU 60 3HD2 LEU 60 0.041 -0.543 -3.582 446 H ARG 61 H ARG 61 -2.473 -2.962 -6.709 447 HA ARG 61 HA ARG 61 -2.988 -5.723 -6.542 448 HB2 ARG 61 2HB ARG 61 -4.533 -4.302 -7.704 449 HB3 ARG 61 3HB ARG 61 -3.286 -3.769 -8.824 450 HG2 ARG 61 2HG ARG 61 -3.604 -6.646 -8.854 451 HG3 ARG 61 3HG ARG 61 -5.109 -5.802 -9.228 452 HD2 ARG 61 2HD ARG 61 -4.302 -4.939 -11.166 453 HD3 ARG 61 3HD ARG 61 -2.657 -4.805 -10.545 454 HE ARG 61 HE ARG 61 -3.222 -7.513 -10.814 455 HH11 ARG 61 1HH1 ARG 61 -2.903 -4.707 -12.849 456 HH12 ARG 61 2HH1 ARG 61 -2.363 -5.607 -14.227 457 HH21 ARG 61 1HH2 ARG 61 -2.513 -8.709 -12.622 458 HH22 ARG 61 2HH2 ARG 61 -2.144 -7.884 -14.097 459 H LEU 62 H LEU 62 -0.600 -3.867 -8.347 460 HA LEU 62 HA LEU 62 0.344 -6.041 -9.916 461 HB2 LEU 62 2HB LEU 62 1.443 -3.343 -9.213 462 HB3 LEU 62 3HB LEU 62 2.394 -4.502 -10.138 463 HG LEU 62 HG LEU 62 -0.327 -3.569 -11.023 464 HD11 LEU 62 1HD1 LEU 62 1.297 -1.670 -10.729 465 HD12 LEU 62 2HD1 LEU 62 0.683 -1.898 -12.366 466 HD13 LEU 62 3HD1 LEU 62 2.307 -2.446 -11.948 467 HD21 LEU 62 1HD2 LEU 62 1.001 -4.175 -13.253 468 HD22 LEU 62 2HD2 LEU 62 0.099 -5.377 -12.328 469 HD23 LEU 62 3HD2 LEU 62 1.848 -5.245 -12.136 470 H VAL 63 H VAL 63 1.522 -4.504 -6.938 471 HA VAL 63 HA VAL 63 3.828 -5.990 -6.552 472 HB VAL 63 HB VAL 63 1.948 -5.001 -4.404 473 HG11 VAL 63 1HG1 VAL 63 4.841 -5.835 -4.335 474 HG12 VAL 63 2HG1 VAL 63 4.061 -4.910 -3.051 475 HG13 VAL 63 3HG1 VAL 63 3.491 -6.534 -3.439 476 HG21 VAL 63 1HG2 VAL 63 4.286 -3.389 -4.804 477 HG22 VAL 63 2HG2 VAL 63 3.398 -3.546 -6.320 478 HG23 VAL 63 3HG2 VAL 63 2.586 -2.926 -4.882 479 H ILE 64 H ILE 64 0.500 -6.749 -5.612 480 HA ILE 64 HA ILE 64 1.064 -9.103 -4.179 481 HB ILE 64 HB ILE 64 -1.443 -8.378 -5.702 482 HG12 ILE 64 2HG1 ILE 64 -1.089 -8.182 -2.729 483 HG13 ILE 64 3HG1 ILE 64 -0.510 -6.883 -3.765 484 HG21 ILE 64 1HG2 ILE 64 -2.541 -9.983 -4.163 485 HG22 ILE 64 2HG2 ILE 64 -1.402 -10.743 -5.272 486 HG23 ILE 64 3HG2 ILE 64 -0.947 -10.470 -3.590 487 HD11 ILE 64 1HD1 ILE 64 -2.690 -6.428 -4.559 488 HD12 ILE 64 2HD1 ILE 64 -3.333 -7.902 -3.834 489 HD13 ILE 64 3HD1 ILE 64 -2.801 -6.573 -2.805 490 H CYS 65 H CYS 65 -0.089 -8.704 -7.532 491 HA CYS 65 HA CYS 65 -0.037 -11.377 -8.274 492 HB2 CYS 65 2HB CYS 65 -1.038 -9.574 -9.635 493 HB3 CYS 65 3HB CYS 65 0.574 -8.984 -10.020 494 HG CYS 65 HG CYS 65 0.716 -10.346 -12.180 495 H ASP 66 H ASP 66 2.572 -9.138 -7.845 496 HA ASP 66 HA ASP 66 4.511 -10.637 -9.332 497 HB2 ASP 66 2HB ASP 66 4.887 -8.473 -7.251 498 HB3 ASP 66 3HB ASP 66 6.150 -9.106 -8.303 499 H LEU 67 H LEU 67 4.377 -9.899 -5.844 500 HA LEU 67 HA LEU 67 6.189 -11.853 -5.044 501 HB2 LEU 67 2HB LEU 67 4.959 -9.869 -3.779 502 HB3 LEU 67 3HB LEU 67 3.924 -11.190 -3.241 503 HG LEU 67 HG LEU 67 5.888 -12.320 -2.288 504 HD11 LEU 67 1HD1 LEU 67 7.661 -10.040 -2.322 505 HD12 LEU 67 2HD1 LEU 67 7.327 -10.625 -3.952 506 HD13 LEU 67 3HD1 LEU 67 7.980 -11.725 -2.737 507 HD21 LEU 67 1HD2 LEU 67 5.117 -11.248 -0.494 508 HD22 LEU 67 2HD2 LEU 67 4.789 -9.779 -1.413 509 HD23 LEU 67 3HD2 LEU 67 6.404 -10.075 -0.769 510 H GLN 68 H GLN 68 2.838 -12.112 -5.887 511 HA GLN 68 HA GLN 68 2.430 -14.670 -4.647 512 HB2 GLN 68 2HB GLN 68 0.608 -13.001 -5.109 513 HB3 GLN 68 3HB GLN 68 0.777 -13.378 -6.818 514 HG2 GLN 68 2HG GLN 68 0.383 -15.684 -5.033 515 HG3 GLN 68 3HG GLN 68 -0.981 -14.576 -5.178 516 HE21 GLN 68 1HE2 GLN 68 -1.054 -13.808 -7.685 517 HE22 GLN 68 2HE2 GLN 68 -1.205 -15.142 -8.772 518 H GLU 69 H GLU 69 2.667 -13.587 -8.038 519 HA GLU 69 HA GLU 69 2.665 -16.126 -9.201 520 HB2 GLU 69 2HB GLU 69 2.397 -13.917 -10.384 521 HB3 GLU 69 3HB GLU 69 4.139 -13.714 -10.261 522 HG2 GLU 69 2HG GLU 69 4.571 -15.470 -11.726 523 HG3 GLU 69 3HG GLU 69 2.953 -16.142 -11.544 524 H ARG 70 H ARG 70 5.354 -14.132 -8.051 525 HA ARG 70 HA ARG 70 7.418 -15.854 -8.927 526 HB2 ARG 70 2HB ARG 70 7.227 -13.604 -6.967 527 HB3 ARG 70 3HB ARG 70 8.667 -14.614 -6.967 528 HG2 ARG 70 2HG ARG 70 8.074 -13.882 -9.652 529 HG3 ARG 70 3HG ARG 70 8.054 -12.432 -8.647 530 HD2 ARG 70 2HD ARG 70 10.266 -12.842 -7.873 531 HD3 ARG 70 3HD ARG 70 10.280 -14.457 -8.580 532 HE ARG 70 HE ARG 70 10.916 -12.016 -9.895 533 HH11 ARG 70 1HH1 ARG 70 9.481 -15.149 -10.387 534 HH12 ARG 70 2HH1 ARG 70 9.854 -15.198 -12.079 535 HH21 ARG 70 1HH2 ARG 70 11.412 -12.068 -12.120 536 HH22 ARG 70 2HH2 ARG 70 10.953 -13.445 -13.063 537 H ARG 71 H ARG 71 6.129 -15.333 -5.638 538 HA ARG 71 HA ARG 71 7.507 -17.440 -4.425 539 HB2 ARG 71 2HB ARG 71 6.463 -15.711 -3.099 540 HB3 ARG 71 3HB ARG 71 4.870 -16.159 -3.697 541 HG2 ARG 71 2HG ARG 71 5.317 -16.946 -1.402 542 HG3 ARG 71 3HG ARG 71 4.959 -18.255 -2.531 543 HD2 ARG 71 2HD ARG 71 6.888 -18.635 -0.929 544 HD3 ARG 71 3HD ARG 71 7.215 -18.918 -2.638 545 HE ARG 71 HE ARG 71 7.873 -16.257 -1.847 546 HH11 ARG 71 1HH1 ARG 71 8.997 -19.552 -1.809 547 HH12 ARG 71 2HH1 ARG 71 10.672 -19.116 -1.730 548 HH21 ARG 71 1HH2 ARG 71 10.075 -15.671 -1.742 549 HH22 ARG 71 2HH2 ARG 71 11.283 -16.909 -1.691 550 H GLU 72 H GLU 72 4.751 -17.452 -6.484 551 HA GLU 72 HA GLU 72 3.627 -19.927 -5.644 552 HB2 GLU 72 2HB GLU 72 2.247 -18.397 -6.869 553 HB3 GLU 72 3HB GLU 72 3.384 -18.357 -8.209 554 HG2 GLU 72 2HG GLU 72 2.641 -20.298 -9.084 555 HG3 GLU 72 3HG GLU 72 2.290 -21.003 -7.507 556 H LYS 73 H LYS 73 5.467 -19.107 -8.591 557 HA LYS 73 HA LYS 73 5.869 -21.747 -9.432 558 HB2 LYS 73 2HB LYS 73 6.294 -19.412 -10.606 559 HB3 LYS 73 3HB LYS 73 7.931 -19.669 -10.016 560 HG2 LYS 73 2HG LYS 73 6.679 -21.937 -11.428 561 HG3 LYS 73 3HG LYS 73 7.074 -20.518 -12.401 562 HD2 LYS 73 2HD LYS 73 9.381 -20.612 -11.632 563 HD3 LYS 73 3HD LYS 73 8.996 -21.991 -10.599 564 HE2 LYS 73 2HE LYS 73 8.110 -22.610 -13.215 565 HE3 LYS 73 3HE LYS 73 9.745 -21.963 -13.351 566 HZ1 LYS 73 1HZ LYS 73 9.323 -24.489 -12.885 567 HZ2 LYS 73 2HZ LYS 73 9.213 -23.965 -11.281 568 HZ3 LYS 73 3HZ LYS 73 10.625 -23.682 -12.169 569 H PHE 74 H PHE 74 7.481 -19.842 -7.032 570 HA PHE 74 HA PHE 74 9.772 -21.616 -6.882 571 HB2 PHE 74 2HB PHE 74 9.549 -18.991 -6.364 572 HB3 PHE 74 3HB PHE 74 9.263 -19.618 -4.744 573 HD1 PHE 74 HD1 PHE 74 11.710 -18.624 -7.064 574 HD2 PHE 74 HD2 PHE 74 10.996 -21.377 -3.898 575 HE1 PHE 74 HE1 PHE 74 14.136 -18.873 -6.737 576 HE2 PHE 74 HE2 PHE 74 13.421 -21.630 -3.566 577 HZ PHE 74 HZ PHE 74 14.995 -20.376 -4.986 578 H GLY 75 H GLY 75 6.681 -21.225 -5.390 579 HA2 GLY 75 2HA GLY 75 6.072 -23.471 -4.303 580 HA3 GLY 75 3HA GLY 75 7.428 -23.105 -3.249 581 H SER 76 H SER 76 7.043 -21.984 -1.446 582 HA SER 76 HA SER 76 5.207 -19.900 -1.151 583 HB2 SER 76 2HB SER 76 4.105 -22.615 -0.764 584 HB3 SER 76 3HB SER 76 3.741 -21.462 0.519 585 HG SER 76 HG SER 76 3.416 -20.617 -2.120 586 H SER 77 H SER 77 5.454 -18.880 0.796 587 HA SER 77 HA SER 77 6.972 -20.276 2.887 588 HB2 SER 77 2HB SER 77 8.789 -19.042 2.430 589 HB3 SER 77 3HB SER 77 7.904 -18.081 1.245 590 HG SER 77 HG SER 77 8.551 -17.502 3.845 591 H LYS 78 H LYS 78 6.679 -19.471 5.002 592 HA LYS 78 HA LYS 78 4.067 -18.462 5.515 593 HB2 LYS 78 2HB LYS 78 5.726 -19.981 6.949 594 HB3 LYS 78 3HB LYS 78 6.143 -18.422 7.648 595 HG2 LYS 78 2HG LYS 78 4.383 -18.576 8.975 596 HG3 LYS 78 3HG LYS 78 3.332 -18.539 7.556 597 HD2 LYS 78 2HD LYS 78 2.789 -20.502 8.795 598 HD3 LYS 78 3HD LYS 78 3.671 -21.016 7.355 599 HE2 LYS 78 2HE LYS 78 5.003 -22.159 8.730 600 HE3 LYS 78 3HE LYS 78 5.656 -20.602 9.236 601 HZ1 LYS 78 1HZ LYS 78 3.354 -20.911 10.691 602 HZ2 LYS 78 2HZ LYS 78 4.935 -21.111 11.257 603 HZ3 LYS 78 3HZ LYS 78 4.059 -22.448 10.704 604 H GLU 79 H GLU 79 7.314 -17.073 5.673 605 HA GLU 79 HA GLU 79 6.552 -14.599 6.808 606 HB2 GLU 79 2HB GLU 79 8.955 -15.681 5.447 607 HB3 GLU 79 3HB GLU 79 8.783 -13.932 5.463 608 HG2 GLU 79 2HG GLU 79 9.335 -13.789 7.612 609 HG3 GLU 79 3HG GLU 79 8.279 -15.126 8.062 610 H ILE 80 H ILE 80 7.273 -15.496 3.435 611 HA ILE 80 HA ILE 80 6.604 -13.002 2.317 612 HB ILE 80 HB ILE 80 7.911 -14.795 1.162 613 HG12 ILE 80 2HG1 ILE 80 5.711 -14.243 -0.727 614 HG13 ILE 80 3HG1 ILE 80 6.345 -12.830 0.112 615 HG21 ILE 80 1HG2 ILE 80 6.910 -16.680 0.230 616 HG22 ILE 80 2HG2 ILE 80 6.170 -16.568 1.826 617 HG23 ILE 80 3HG2 ILE 80 5.284 -16.020 0.402 618 HD11 ILE 80 1HD1 ILE 80 8.418 -14.581 -0.950 619 HD12 ILE 80 2HD1 ILE 80 7.354 -13.902 -2.182 620 HD13 ILE 80 3HD1 ILE 80 8.224 -12.833 -1.082 621 H ASP 81 H ASP 81 4.674 -15.787 3.178 622 HA ASP 81 HA ASP 81 2.351 -15.166 1.719 623 HB2 ASP 81 2HB ASP 81 2.493 -17.349 2.620 624 HB3 ASP 81 3HB ASP 81 2.822 -16.744 4.242 625 H MET 82 H MET 82 3.230 -14.430 5.090 626 HA MET 82 HA MET 82 0.907 -13.006 5.739 627 HB2 MET 82 2HB MET 82 3.583 -13.367 6.884 628 HB3 MET 82 3HB MET 82 2.847 -11.818 7.275 629 HG2 MET 82 2HG MET 82 1.230 -12.749 8.558 630 HG3 MET 82 3HG MET 82 1.162 -14.225 7.597 631 HE1 MET 82 1HE MET 82 1.268 -13.706 10.958 632 HE2 MET 82 2HE MET 82 2.894 -13.884 11.619 633 HE3 MET 82 3HE MET 82 2.476 -12.451 10.679 634 H ALA 83 H ALA 83 4.017 -11.893 4.448 635 HA ALA 83 HA ALA 83 3.585 -9.157 4.506 636 HB1 ALA 83 1HB ALA 83 5.356 -10.982 3.085 637 HB2 ALA 83 2HB ALA 83 4.995 -9.514 2.175 638 HB3 ALA 83 3HB ALA 83 5.687 -9.400 3.793 639 H ILE 84 H ILE 84 2.671 -11.501 2.005 640 HA ILE 84 HA ILE 84 1.635 -9.674 0.148 641 HB ILE 84 HB ILE 84 0.795 -12.534 0.639 642 HG12 ILE 84 2HG1 ILE 84 2.548 -11.661 -1.616 643 HG13 ILE 84 3HG1 ILE 84 3.259 -11.809 -0.013 644 HG21 ILE 84 1HG2 ILE 84 -0.775 -12.223 -0.896 645 HG22 ILE 84 2HG2 ILE 84 -0.291 -10.539 -1.085 646 HG23 ILE 84 3HG2 ILE 84 0.474 -11.790 -2.062 647 HD11 ILE 84 1HD1 ILE 84 2.504 -13.861 -1.913 648 HD12 ILE 84 2HD1 ILE 84 3.582 -13.945 -0.520 649 HD13 ILE 84 3HD1 ILE 84 1.845 -14.152 -0.303 650 H VAL 85 H VAL 85 -0.073 -11.612 2.607 651 HA VAL 85 HA VAL 85 -2.637 -10.652 2.166 652 HB VAL 85 HB VAL 85 -1.499 -11.369 4.869 653 HG11 VAL 85 1HG1 VAL 85 -3.703 -11.824 5.540 654 HG12 VAL 85 2HG1 VAL 85 -3.800 -10.289 4.674 655 HG13 VAL 85 3HG1 VAL 85 -4.306 -11.784 3.884 656 HG21 VAL 85 1HG2 VAL 85 -2.002 -12.998 2.494 657 HG22 VAL 85 2HG2 VAL 85 -1.039 -13.352 3.928 658 HG23 VAL 85 3HG2 VAL 85 -2.783 -13.603 3.954 659 H THR 86 H THR 86 0.030 -9.209 3.913 660 HA THR 86 HA THR 86 -1.433 -7.221 5.288 661 HB THR 86 HB THR 86 1.411 -6.870 4.361 662 HG1 THR 86 HG1 THR 86 1.802 -8.674 5.403 663 HG21 THR 86 1HG2 THR 86 1.104 -5.003 5.573 664 HG22 THR 86 2HG2 THR 86 1.212 -6.067 6.974 665 HG23 THR 86 3HG2 THR 86 -0.366 -5.622 6.324 666 H LEU 87 H LEU 87 0.442 -7.060 2.260 667 HA LEU 87 HA LEU 87 -0.168 -4.395 1.645 668 HB2 LEU 87 2HB LEU 87 0.856 -6.743 0.167 669 HB3 LEU 87 3HB LEU 87 0.184 -5.432 -0.801 670 HG LEU 87 HG LEU 87 2.372 -5.031 1.231 671 HD11 LEU 87 1HD1 LEU 87 3.530 -6.343 -0.226 672 HD12 LEU 87 2HD1 LEU 87 3.688 -4.791 -1.050 673 HD13 LEU 87 3HD1 LEU 87 2.478 -5.956 -1.589 674 HD21 LEU 87 1HD2 LEU 87 0.960 -3.082 0.511 675 HD22 LEU 87 2HD2 LEU 87 1.570 -3.334 -1.125 676 HD23 LEU 87 3HD2 LEU 87 2.685 -2.921 0.179 677 H LYS 88 H LYS 88 -2.000 -7.314 1.284 678 HA LYS 88 HA LYS 88 -3.843 -6.340 -0.662 679 HB2 LYS 88 2HB LYS 88 -3.932 -8.641 1.284 680 HB3 LYS 88 3HB LYS 88 -5.254 -8.287 0.180 681 HG2 LYS 88 2HG LYS 88 -3.636 -8.505 -1.707 682 HG3 LYS 88 3HG LYS 88 -2.435 -9.053 -0.537 683 HD2 LYS 88 2HD LYS 88 -4.170 -10.813 0.139 684 HD3 LYS 88 3HD LYS 88 -5.001 -10.384 -1.359 685 HE2 LYS 88 2HE LYS 88 -2.257 -10.750 -1.967 686 HE3 LYS 88 3HE LYS 88 -2.770 -12.118 -0.981 687 HZ1 LYS 88 1HZ LYS 88 -4.010 -12.926 -2.630 688 HZ2 LYS 88 2HZ LYS 88 -3.148 -11.886 -3.647 689 HZ3 LYS 88 3HZ LYS 88 -4.654 -11.415 -3.036 690 H VAL 89 H VAL 89 -4.359 -7.086 2.791 691 HA VAL 89 HA VAL 89 -6.817 -5.873 3.089 692 HB VAL 89 HB VAL 89 -5.885 -7.248 4.846 693 HG11 VAL 89 1HG1 VAL 89 -3.927 -5.013 5.365 694 HG12 VAL 89 2HG1 VAL 89 -4.051 -6.539 6.244 695 HG13 VAL 89 3HG1 VAL 89 -3.533 -6.531 4.557 696 HG21 VAL 89 1HG2 VAL 89 -5.994 -4.756 6.374 697 HG22 VAL 89 2HG2 VAL 89 -7.323 -4.954 5.231 698 HG23 VAL 89 3HG2 VAL 89 -7.025 -6.185 6.458 699 H PHE 90 H PHE 90 -3.608 -4.421 3.238 700 HA PHE 90 HA PHE 90 -4.479 -1.864 4.119 701 HB2 PHE 90 2HB PHE 90 -2.184 -2.456 4.458 702 HB3 PHE 90 3HB PHE 90 -1.953 -2.784 2.743 703 HD1 PHE 90 HD1 PHE 90 -1.621 -0.998 1.166 704 HD2 PHE 90 HD2 PHE 90 -2.275 -0.180 5.291 705 HE1 PHE 90 HE1 PHE 90 -0.860 1.316 0.824 706 HE2 PHE 90 HE2 PHE 90 -1.515 2.136 4.956 707 HZ PHE 90 HZ PHE 90 -0.807 2.887 2.720 708 H ALA 91 H ALA 91 -3.983 -3.326 0.958 709 HA ALA 91 HA ALA 91 -4.219 -0.970 -0.580 710 HB1 ALA 91 1HB ALA 91 -4.547 -2.434 -2.473 711 HB2 ALA 91 2HB ALA 91 -3.286 -3.092 -1.430 712 HB3 ALA 91 3HB ALA 91 -4.906 -3.789 -1.403 713 H VAL 92 H VAL 92 -6.614 -3.476 0.248 714 HA VAL 92 HA VAL 92 -8.785 -2.137 -1.008 715 HB VAL 92 HB VAL 92 -8.966 -4.195 1.193 716 HG11 VAL 92 1HG1 VAL 92 -10.871 -3.013 -0.757 717 HG12 VAL 92 2HG1 VAL 92 -11.051 -4.720 -0.351 718 HG13 VAL 92 3HG1 VAL 92 -11.123 -3.498 0.920 719 HG21 VAL 92 1HG2 VAL 92 -9.360 -5.413 -1.303 720 HG22 VAL 92 2HG2 VAL 92 -7.893 -4.447 -1.458 721 HG23 VAL 92 3HG2 VAL 92 -8.020 -5.660 -0.184 722 H ALA 93 H ALA 93 -7.963 -2.596 2.434 723 HA ALA 93 HA ALA 93 -9.981 -0.879 3.412 724 HB1 ALA 93 1HB ALA 93 -8.869 -2.610 4.770 725 HB2 ALA 93 2HB ALA 93 -7.391 -1.646 4.752 726 HB3 ALA 93 3HB ALA 93 -8.842 -1.022 5.538 727 H GLY 94 H GLY 94 -7.076 -0.213 1.812 728 HA2 GLY 94 2HA GLY 94 -6.838 2.457 3.015 729 HA3 GLY 94 3HA GLY 94 -5.639 1.683 1.990 730 H LEU 95 H LEU 95 -6.336 1.311 -0.311 731 HA LEU 95 HA LEU 95 -7.034 3.743 -1.503 732 HB2 LEU 95 2HB LEU 95 -6.911 0.929 -2.536 733 HB3 LEU 95 3HB LEU 95 -7.379 2.275 -3.573 734 HG LEU 95 HG LEU 95 -5.072 1.799 -3.958 735 HD11 LEU 95 1HD1 LEU 95 -5.821 4.191 -3.792 736 HD12 LEU 95 2HD1 LEU 95 -4.094 3.923 -3.558 737 HD13 LEU 95 3HD1 LEU 95 -5.137 4.216 -2.166 738 HD21 LEU 95 1HD2 LEU 95 -4.529 2.238 -1.030 739 HD22 LEU 95 2HD2 LEU 95 -3.409 1.675 -2.271 740 HD23 LEU 95 3HD2 LEU 95 -4.739 0.641 -1.749 741 H LEU 96 H LEU 96 -8.961 0.846 -0.860 742 HA LEU 96 HA LEU 96 -11.340 2.100 -1.970 743 HB2 LEU 96 2HB LEU 96 -10.456 -0.580 -1.457 744 HB3 LEU 96 3HB LEU 96 -12.015 -0.307 -0.683 745 HG LEU 96 HG LEU 96 -12.922 0.415 -2.877 746 HD11 LEU 96 1HD1 LEU 96 -10.824 1.129 -3.902 747 HD12 LEU 96 2HD1 LEU 96 -11.655 -0.063 -4.901 748 HD13 LEU 96 3HD1 LEU 96 -10.264 -0.544 -3.929 749 HD21 LEU 96 1HD2 LEU 96 -11.973 -2.193 -3.656 750 HD22 LEU 96 2HD2 LEU 96 -13.587 -1.687 -3.154 751 HD23 LEU 96 3HD2 LEU 96 -12.394 -2.159 -1.943 752 H ASN 97 H ASN 97 -9.733 2.184 0.915 753 HA ASN 97 HA ASN 97 -10.279 2.719 3.063 754 HB2 ASN 97 2HB ASN 97 -12.523 4.094 1.574 755 HB3 ASN 97 3HB ASN 97 -12.166 4.360 3.278 756 HD21 ASN 97 1HD2 ASN 97 -11.957 5.907 0.594 757 HD22 ASN 97 2HD2 ASN 97 -10.420 6.684 0.725 758 H MET 98 H MET 98 -11.310 0.189 2.038 759 HA MET 98 HA MET 98 -13.794 -0.081 3.586 760 HB2 MET 98 2HB MET 98 -13.694 -0.806 1.142 761 HB3 MET 98 3HB MET 98 -12.655 -2.119 1.679 762 HG2 MET 98 2HG MET 98 -14.355 -3.160 2.851 763 HG3 MET 98 3HG MET 98 -15.321 -1.690 2.954 764 HE1 MET 98 1HE MET 98 -16.886 -4.058 2.404 765 HE2 MET 98 2HE MET 98 -17.129 -4.604 0.744 766 HE3 MET 98 3HE MET 98 -15.656 -5.042 1.610 767 H THR 99 H THR 99 -12.594 -0.066 5.588 768 HA THR 99 HA THR 99 -10.541 -1.807 6.276 769 HB THR 99 HB THR 99 -11.039 -0.062 7.800 770 HG1 THR 99 HG1 THR 99 -10.667 -2.399 8.622 771 HG21 THR 99 1HG2 THR 99 -13.793 -0.934 7.384 772 HG22 THR 99 2HG2 THR 99 -13.167 0.645 7.860 773 HG23 THR 99 3HG2 THR 99 -13.419 -0.607 9.075 774 H VAL 100 H VAL 100 -10.702 -3.914 5.696 775 HA VAL 100 HA VAL 100 -13.057 -5.468 5.867 776 HB VAL 100 HB VAL 100 -11.606 -7.411 5.504 777 HG11 VAL 100 1HG1 VAL 100 -10.554 -5.219 3.752 778 HG12 VAL 100 2HG1 VAL 100 -10.975 -6.879 3.326 779 HG13 VAL 100 3HG1 VAL 100 -12.247 -5.709 3.682 780 HG21 VAL 100 1HG2 VAL 100 -9.756 -6.595 6.975 781 HG22 VAL 100 2HG2 VAL 100 -9.222 -7.245 5.425 782 HG23 VAL 100 3HG2 VAL 100 -9.281 -5.501 5.677 783 H SER 101 H SER 101 -13.073 -7.574 7.171 784 HA SER 101 HA SER 101 -12.970 -6.862 9.950 785 HB2 SER 101 2HB SER 101 -13.836 -9.326 8.450 786 HB3 SER 101 3HB SER 101 -13.743 -9.311 10.210 787 HG SER 101 HG SER 101 -15.593 -8.341 10.195 788 H THR 102 H THR 102 -11.227 -9.098 7.837 789 HA THR 102 HA THR 102 -9.031 -9.144 9.759 790 HB THR 102 HB THR 102 -8.814 -11.512 9.832 791 HG1 THR 102 HG1 THR 102 -11.104 -11.832 8.191 792 HG21 THR 102 1HG2 THR 102 -11.753 -10.900 10.159 793 HG22 THR 102 2HG2 THR 102 -10.508 -10.537 11.353 794 HG23 THR 102 3HG2 THR 102 -10.858 -12.211 10.926 795 H ALA 103 H ALA 103 -7.016 -9.831 8.847 796 HA ALA 103 HA ALA 103 -6.439 -8.825 6.341 797 HB1 ALA 103 1HB ALA 103 -4.287 -9.799 6.550 798 HB2 ALA 103 2HB ALA 103 -4.811 -9.378 8.181 799 HB3 ALA 103 3HB ALA 103 -4.886 -11.053 7.636 800 H ALA 104 H ALA 104 -7.301 -12.123 7.258 801 HA ALA 104 HA ALA 104 -6.783 -13.344 4.774 802 HB1 ALA 104 1HB ALA 104 -8.701 -14.932 5.737 803 HB2 ALA 104 2HB ALA 104 -7.049 -14.948 6.356 804 HB3 ALA 104 3HB ALA 104 -8.304 -14.051 7.212 805 H ALA 105 H ALA 105 -9.785 -12.015 6.144 806 HA ALA 105 HA ALA 105 -11.518 -12.632 4.071 807 HB1 ALA 105 1HB ALA 105 -12.603 -11.812 5.920 808 HB2 ALA 105 2HB ALA 105 -11.458 -10.489 6.141 809 HB3 ALA 105 3HB ALA 105 -12.662 -10.408 4.855 810 H ALA 106 H ALA 106 -9.313 -9.892 4.411 811 HA ALA 106 HA ALA 106 -10.191 -8.432 2.170 812 HB1 ALA 106 1HB ALA 106 -8.042 -8.287 4.075 813 HB2 ALA 106 2HB ALA 106 -7.455 -7.927 2.451 814 HB3 ALA 106 3HB ALA 106 -8.793 -7.001 3.132 815 H GLU 107 H GLU 107 -7.452 -10.689 2.519 816 HA GLU 107 HA GLU 107 -6.527 -10.614 -0.090 817 HB2 GLU 107 2HB GLU 107 -5.240 -11.735 1.585 818 HB3 GLU 107 3HB GLU 107 -6.544 -12.865 1.919 819 HG2 GLU 107 2HG GLU 107 -6.201 -14.031 -0.080 820 HG3 GLU 107 3HG GLU 107 -5.228 -12.734 -0.769 821 H ASN 108 H ASN 108 -9.251 -12.346 1.269 822 HA ASN 108 HA ASN 108 -9.713 -14.019 -0.992 823 HB2 ASN 108 2HB ASN 108 -10.770 -13.753 1.610 824 HB3 ASN 108 3HB ASN 108 -12.120 -13.510 0.506 825 HD21 ASN 108 1HD2 ASN 108 -10.508 -15.759 2.222 826 HD22 ASN 108 2HD2 ASN 108 -10.881 -17.170 1.296 827 H MET 109 H MET 109 -10.931 -10.877 0.051 828 HA MET 109 HA MET 109 -12.932 -10.604 -1.917 829 HB2 MET 109 2HB MET 109 -12.079 -9.128 0.255 830 HB3 MET 109 3HB MET 109 -11.659 -8.098 -1.108 831 HG2 MET 109 2HG MET 109 -13.811 -7.679 -1.635 832 HG3 MET 109 3HG MET 109 -14.359 -9.281 -1.148 833 HE1 MET 109 1HE MET 109 -15.722 -9.679 0.376 834 HE2 MET 109 2HE MET 109 -14.930 -9.685 1.951 835 HE3 MET 109 3HE MET 109 -16.326 -8.644 1.670 836 H TYR 110 H TYR 110 -9.522 -9.665 -1.843 837 HA TYR 110 HA TYR 110 -9.499 -8.273 -4.295 838 HB2 TYR 110 2HB TYR 110 -7.643 -8.889 -2.284 839 HB3 TYR 110 3HB TYR 110 -6.979 -9.586 -3.757 840 HD1 TYR 110 HD1 TYR 110 -5.327 -8.209 -4.592 841 HD2 TYR 110 HD2 TYR 110 -8.888 -6.444 -3.071 842 HE1 TYR 110 HE1 TYR 110 -4.514 -5.992 -5.279 843 HE2 TYR 110 HE2 TYR 110 -8.085 -4.222 -3.756 844 HH TYR 110 HH TYR 110 -5.172 -3.405 -4.293 845 H SER 111 H SER 111 -8.568 -11.619 -3.506 846 HA SER 111 HA SER 111 -7.963 -12.376 -6.156 847 HB2 SER 111 2HB SER 111 -7.098 -13.720 -4.381 848 HB3 SER 111 3HB SER 111 -8.707 -13.987 -3.709 849 HG SER 111 HG SER 111 -7.409 -15.317 -5.705 850 H GLN 112 H GLN 112 -10.897 -12.769 -4.197 851 HA GLN 112 HA GLN 112 -12.390 -14.155 -6.146 852 HB2 GLN 112 2HB GLN 112 -13.024 -14.147 -3.789 853 HB3 GLN 112 3HB GLN 112 -13.336 -12.418 -3.862 854 HG2 GLN 112 2HG GLN 112 -15.278 -12.678 -5.070 855 HG3 GLN 112 3HG GLN 112 -14.802 -14.257 -5.693 856 HE21 GLN 112 1HE2 GLN 112 -16.287 -12.528 -3.112 857 HE22 GLN 112 2HE2 GLN 112 -16.835 -13.901 -2.218 858 H MET 113 H MET 113 -11.745 -10.771 -5.628 859 HA MET 113 HA MET 113 -13.846 -9.738 -7.225 860 HB2 MET 113 2HB MET 113 -11.353 -8.686 -6.016 861 HB3 MET 113 3HB MET 113 -11.990 -7.795 -7.391 862 HG2 MET 113 2HG MET 113 -13.991 -7.296 -6.286 863 HG3 MET 113 3HG MET 113 -13.711 -8.521 -5.049 864 HE1 MET 113 1HE MET 113 -14.654 -5.588 -4.681 865 HE2 MET 113 2HE MET 113 -13.480 -4.481 -3.967 866 HE3 MET 113 3HE MET 113 -13.531 -4.707 -5.716 867 H GLY 114 H GLY 114 -10.802 -11.182 -7.963 868 HA2 GLY 114 2HA GLY 114 -10.540 -12.039 -10.235 869 HA3 GLY 114 3HA GLY 114 -11.238 -10.532 -10.812 870 H LEU 115 H LEU 115 -8.938 -10.500 -8.211 871 HA LEU 115 HA LEU 115 -7.016 -9.188 -10.002 872 HB2 LEU 115 2HB LEU 115 -7.370 -9.076 -7.013 873 HB3 LEU 115 3HB LEU 115 -6.014 -8.340 -7.865 874 HG LEU 115 HG LEU 115 -8.000 -7.153 -9.184 875 HD11 LEU 115 1HD1 LEU 115 -9.894 -6.696 -7.860 876 HD12 LEU 115 2HD1 LEU 115 -9.170 -7.430 -6.431 877 HD13 LEU 115 3HD1 LEU 115 -9.669 -8.444 -7.785 878 HD21 LEU 115 1HD2 LEU 115 -7.630 -5.849 -6.609 879 HD22 LEU 115 2HD2 LEU 115 -7.156 -5.324 -8.225 880 HD23 LEU 115 3HD2 LEU 115 -6.118 -6.420 -7.315 881 H ASP 116 H ASP 116 -7.496 -11.946 -7.996 882 HA ASP 116 HA ASP 116 -4.876 -12.961 -8.773 883 HB2 ASP 116 2HB ASP 116 -5.594 -12.177 -6.051 884 HB3 ASP 116 3HB ASP 116 -5.051 -13.850 -6.161 885 H THR 117 H THR 117 -4.688 -15.333 -7.934 886 HA THR 117 HA THR 117 -7.176 -16.749 -7.646 887 HB THR 117 HB THR 117 -5.636 -17.583 -10.065 888 HG1 THR 117 HG1 THR 117 -7.746 -15.696 -10.242 889 HG21 THR 117 1HG2 THR 117 -8.500 -17.650 -10.265 890 HG22 THR 117 2HG2 THR 117 -7.986 -18.397 -8.752 891 HG23 THR 117 3HG2 THR 117 -7.352 -18.988 -10.288 892 H ARG 118 H ARG 118 -6.900 -18.930 -7.070 893 HA ARG 118 HA ARG 118 -4.109 -19.727 -6.550 894 HB2 ARG 118 2HB ARG 118 -6.395 -19.504 -4.741 895 HB3 ARG 118 3HB ARG 118 -5.616 -21.078 -4.671 896 HG2 ARG 118 2HG ARG 118 -3.433 -19.837 -4.372 897 HG3 ARG 118 3HG ARG 118 -4.407 -18.386 -4.125 898 HD2 ARG 118 2HD ARG 118 -3.911 -19.287 -1.977 899 HD3 ARG 118 3HD ARG 118 -5.613 -19.610 -2.306 900 HE ARG 118 HE ARG 118 -5.157 -21.859 -2.303 901 HH11 ARG 118 1HH1 ARG 118 -2.173 -20.073 -2.475 902 HH12 ARG 118 2HH1 ARG 118 -1.173 -21.467 -2.231 903 HH21 ARG 118 1HH2 ARG 118 -3.851 -23.701 -1.981 904 HH22 ARG 118 2HH2 ARG 118 -2.128 -23.530 -1.951 905 HA PRO 119 HA PRO 119 -4.863 -23.545 -8.574 906 HB2 PRO 119 2HB PRO 119 -3.505 -25.310 -7.023 907 HB3 PRO 119 3HB PRO 119 -2.700 -24.133 -8.066 908 HG2 PRO 119 2HG PRO 119 -3.220 -24.011 -5.121 909 HG3 PRO 119 3HG PRO 119 -1.755 -23.572 -6.018 910 HD2 PRO 119 2HD PRO 119 -3.536 -21.727 -5.149 911 HD3 PRO 119 3HD PRO 119 -2.597 -21.520 -6.641 912 H21 MYR 201 1H2 MYR 1 7.177 8.083 6.828 913 H22 MYR 201 2H2 MYR 1 7.884 8.204 5.229 914 H31 MYR 201 1H3 MYR 1 4.914 8.753 5.967 915 H32 MYR 201 2H3 MYR 1 5.523 7.327 5.124 916 H41 MYR 201 1H4 MYR 1 6.269 9.966 3.842 917 H42 MYR 201 2H4 MYR 1 4.537 9.621 3.864 918 H51 MYR 201 1H5 MYR 1 5.810 7.144 3.076 919 H52 MYR 201 2H5 MYR 1 6.660 8.413 2.193 920 H61 MYR 201 1H6 MYR 1 4.862 7.916 0.724 921 H62 MYR 201 2H6 MYR 1 4.256 9.342 1.571 922 H71 MYR 201 1H7 MYR 1 2.949 7.881 3.158 923 H72 MYR 201 2H7 MYR 1 3.602 6.430 2.393 924 H81 MYR 201 1H8 MYR 1 2.091 8.518 0.710 925 H82 MYR 201 2H8 MYR 1 1.196 7.336 1.669 926 H91 MYR 201 1H9 MYR 1 3.439 6.298 -0.127 927 H92 MYR 201 2H9 MYR 1 1.960 6.851 -0.911 928 H101 MYR 201 1H10 MYR 1 1.151 4.748 -0.520 929 H102 MYR 201 2H10 MYR 1 0.875 5.272 1.133 930 H111 MYR 201 1H11 MYR 1 3.183 4.361 1.769 931 H112 MYR 201 2H11 MYR 1 3.427 3.881 0.096 932 H121 MYR 201 1H12 MYR 1 1.121 2.513 0.436 933 H122 MYR 201 2H12 MYR 1 1.522 2.648 2.148 934 H131 MYR 201 1H13 MYR 1 3.324 1.178 2.000 935 H132 MYR 201 2H13 MYR 1 3.853 1.801 0.436 936 H141 MYR 201 1H14 MYR 1 3.032 -0.249 -0.360 937 H142 MYR 201 2H14 MYR 1 1.951 -0.469 1.036 938 H143 MYR 201 3H14 MYR 1 1.447 0.568 -0.317 Start of MODEL 7 1 H GLY 2 H GLY 2 5.240 10.951 1.677 2 HA2 GLY 2 2HA GLY 2 3.376 12.053 2.591 3 HA3 GLY 2 3HA GLY 2 4.348 12.495 3.986 4 H ASN 3 H ASN 3 3.730 13.232 0.590 5 HA ASN 3 HA ASN 3 5.361 15.447 0.272 6 HB2 ASN 3 2HB ASN 3 2.654 14.807 -0.899 7 HB3 ASN 3 3HB ASN 3 3.592 16.212 -1.393 8 HD21 ASN 3 1HD2 ASN 3 5.441 15.937 -2.604 9 HD22 ASN 3 2HD2 ASN 3 5.845 14.437 -3.360 10 H GLY 4 H GLY 4 1.859 15.636 0.949 11 HA2 GLY 4 2HA GLY 4 2.401 17.863 2.785 12 HA3 GLY 4 3HA GLY 4 1.294 18.124 1.445 13 H GLN 5 H GLN 5 1.839 15.851 4.134 14 HA GLN 5 HA GLN 5 0.404 14.847 5.584 15 HB2 GLN 5 2HB GLN 5 -0.244 17.260 5.948 16 HB3 GLN 5 3HB GLN 5 -1.569 17.000 4.821 17 HG2 GLN 5 2HG GLN 5 -1.477 14.994 6.917 18 HG3 GLN 5 3HG GLN 5 -1.647 16.633 7.544 19 HE21 GLN 5 1HE2 GLN 5 -3.301 13.998 6.501 20 HE22 GLN 5 2HE2 GLN 5 -4.800 14.745 6.076 21 H GLY 6 H GLY 6 0.086 12.930 4.498 22 HA2 GLY 6 2HA GLY 6 -1.909 12.746 2.403 23 HA3 GLY 6 3HA GLY 6 -0.916 11.433 3.020 24 H ARG 7 H ARG 7 -4.001 12.538 2.803 25 HA ARG 7 HA ARG 7 -5.031 11.918 5.376 26 HB2 ARG 7 2HB ARG 7 -6.371 12.084 2.673 27 HB3 ARG 7 3HB ARG 7 -7.239 11.864 4.187 28 HG2 ARG 7 2HG ARG 7 -6.345 14.007 4.991 29 HG3 ARG 7 3HG ARG 7 -5.534 14.231 3.439 30 HD2 ARG 7 2HD ARG 7 -8.481 13.726 3.546 31 HD3 ARG 7 3HD ARG 7 -7.847 15.341 3.856 32 HE ARG 7 HE ARG 7 -6.726 14.357 1.476 33 HH11 ARG 7 1HH1 ARG 7 -9.774 15.452 2.755 34 HH12 ARG 7 2HH1 ARG 7 -10.363 16.011 1.225 35 HH21 ARG 7 1HH2 ARG 7 -7.491 15.088 -0.544 36 HH22 ARG 7 2HH2 ARG 7 -9.065 15.803 -0.652 37 H ASP 8 H ASP 8 -5.196 10.134 2.290 38 HA ASP 8 HA ASP 8 -6.362 7.811 3.325 39 HB2 ASP 8 2HB ASP 8 -5.021 8.600 0.837 40 HB3 ASP 8 3HB ASP 8 -4.852 6.890 1.224 41 H TRP 9 H TRP 9 -3.100 8.961 3.426 42 HA TRP 9 HA TRP 9 -1.831 6.466 3.928 43 HB2 TRP 9 2HB TRP 9 -0.496 8.296 3.130 44 HB3 TRP 9 3HB TRP 9 -0.984 9.313 4.483 45 HD1 TRP 9 HD1 TRP 9 0.623 9.362 6.482 46 HE1 TRP 9 HE1 TRP 9 2.637 7.956 7.253 47 HE3 TRP 9 HE3 TRP 9 0.398 5.637 2.988 48 HZ2 TRP 9 HZ2 TRP 9 3.955 5.582 6.481 49 HZ3 TRP 9 HZ3 TRP 9 2.072 3.836 3.073 50 HH2 TRP 9 HH2 TRP 9 3.814 3.812 4.785 51 H LYS 10 H LYS 10 -2.447 9.199 6.142 52 HA LYS 10 HA LYS 10 -1.905 7.717 8.483 53 HB2 LYS 10 2HB LYS 10 -1.872 10.225 8.267 54 HB3 LYS 10 3HB LYS 10 -3.630 10.188 8.267 55 HG2 LYS 10 2HG LYS 10 -3.669 10.142 10.477 56 HG3 LYS 10 3HG LYS 10 -2.654 8.698 10.503 57 HD2 LYS 10 2HD LYS 10 -1.608 11.514 10.223 58 HD3 LYS 10 3HD LYS 10 -1.696 10.630 11.749 59 HE2 LYS 10 2HE LYS 10 -0.238 8.890 10.799 60 HE3 LYS 10 3HE LYS 10 -0.125 9.818 9.305 61 HZ1 LYS 10 1HZ LYS 10 1.557 10.922 10.190 62 HZ2 LYS 10 2HZ LYS 10 1.395 10.090 11.653 63 HZ3 LYS 10 3HZ LYS 10 0.539 11.526 11.398 64 H MET 11 H MET 11 -4.806 8.223 6.602 65 HA MET 11 HA MET 11 -6.642 7.279 8.561 66 HB2 MET 11 2HB MET 11 -7.373 8.679 6.698 67 HB3 MET 11 3HB MET 11 -6.894 7.433 5.553 68 HG2 MET 11 2HG MET 11 -8.760 6.242 5.872 69 HG3 MET 11 3HG MET 11 -8.766 6.530 7.611 70 HE1 MET 11 1HE MET 11 -10.830 8.995 8.514 71 HE2 MET 11 2HE MET 11 -11.856 7.738 7.823 72 HE3 MET 11 3HE MET 11 -10.338 7.304 8.608 73 H ALA 12 H ALA 12 -4.914 5.758 5.877 74 HA ALA 12 HA ALA 12 -6.163 3.241 6.019 75 HB1 ALA 12 1HB ALA 12 -4.239 2.417 4.751 76 HB2 ALA 12 2HB ALA 12 -4.842 3.939 4.095 77 HB3 ALA 12 3HB ALA 12 -3.380 3.922 5.078 78 H ILE 13 H ILE 13 -3.156 4.437 7.494 79 HA ILE 13 HA ILE 13 -2.471 2.034 8.796 80 HB ILE 13 HB ILE 13 -1.768 4.869 9.568 81 HG12 ILE 13 2HG1 ILE 13 -1.071 4.215 7.279 82 HG13 ILE 13 3HG1 ILE 13 0.301 4.488 8.348 83 HG21 ILE 13 1HG2 ILE 13 -1.188 2.310 10.802 84 HG22 ILE 13 2HG2 ILE 13 0.276 3.196 10.378 85 HG23 ILE 13 3HG2 ILE 13 -0.937 3.943 11.417 86 HD11 ILE 13 1HD1 ILE 13 -0.829 1.784 7.674 87 HD12 ILE 13 2HD1 ILE 13 0.567 2.522 6.889 88 HD13 ILE 13 3HD1 ILE 13 0.629 2.123 8.606 89 H LYS 14 H LYS 14 -4.125 4.944 10.010 90 HA LYS 14 HA LYS 14 -4.534 4.169 12.628 91 HB2 LYS 14 2HB LYS 14 -5.104 6.392 11.486 92 HB3 LYS 14 3HB LYS 14 -6.625 5.635 11.031 93 HG2 LYS 14 2HG LYS 14 -6.018 5.337 13.859 94 HG3 LYS 14 3HG LYS 14 -6.134 7.022 13.348 95 HD2 LYS 14 2HD LYS 14 -8.229 5.177 12.361 96 HD3 LYS 14 3HD LYS 14 -8.260 5.570 14.082 97 HE2 LYS 14 2HE LYS 14 -8.795 7.747 13.714 98 HE3 LYS 14 3HE LYS 14 -7.895 7.824 12.199 99 HZ1 LYS 14 1HZ LYS 14 -9.706 7.327 11.030 100 HZ2 LYS 14 2HZ LYS 14 -10.593 7.670 12.428 101 HZ3 LYS 14 3HZ LYS 14 -10.164 6.074 12.070 102 H ARG 15 H ARG 15 -6.394 3.324 9.753 103 HA ARG 15 HA ARG 15 -8.370 1.863 11.264 104 HB2 ARG 15 2HB ARG 15 -8.869 3.055 9.115 105 HB3 ARG 15 3HB ARG 15 -7.900 1.847 8.281 106 HG2 ARG 15 2HG ARG 15 -9.435 0.098 9.130 107 HG3 ARG 15 3HG ARG 15 -10.440 1.372 9.824 108 HD2 ARG 15 2HD ARG 15 -9.785 0.978 6.907 109 HD3 ARG 15 3HD ARG 15 -11.338 0.676 7.686 110 HE ARG 15 HE ARG 15 -10.317 3.196 6.804 111 HH11 ARG 15 1HH1 ARG 15 -12.377 1.653 9.149 112 HH12 ARG 15 2HH1 ARG 15 -13.363 3.055 9.397 113 HH21 ARG 15 1HH2 ARG 15 -11.609 5.048 7.124 114 HH22 ARG 15 2HH2 ARG 15 -12.926 4.986 8.245 115 H CYS 16 H CYS 16 -5.376 1.195 9.647 116 HA CYS 16 HA CYS 16 -5.658 -1.561 9.218 117 HB2 CYS 16 2HB CYS 16 -3.793 0.086 8.454 118 HB3 CYS 16 3HB CYS 16 -3.032 -0.327 9.985 119 HG CYS 16 HG CYS 16 -2.312 -1.769 7.397 120 H SER 17 H SER 17 -4.584 0.265 12.041 121 HA SER 17 HA SER 17 -3.645 -1.834 13.607 122 HB2 SER 17 2HB SER 17 -4.884 -0.071 15.393 123 HB3 SER 17 3HB SER 17 -3.201 -0.030 14.866 124 HG SER 17 HG SER 17 -3.938 1.926 14.310 125 H ASN 18 H ASN 18 -6.876 -0.958 12.752 126 HA ASN 18 HA ASN 18 -8.023 -2.688 14.809 127 HB2 ASN 18 2HB ASN 18 -9.330 -0.864 12.780 128 HB3 ASN 18 3HB ASN 18 -10.206 -1.835 13.960 129 HD21 ASN 18 1HD2 ASN 18 -10.683 0.765 14.007 130 HD22 ASN 18 2HD2 ASN 18 -9.924 1.527 15.358 131 H VAL 19 H VAL 19 -6.446 -3.717 12.533 132 HA VAL 19 HA VAL 19 -8.516 -5.284 11.143 133 HB VAL 19 HB VAL 19 -5.640 -4.809 10.349 134 HG11 VAL 19 1HG1 VAL 19 -6.222 -5.959 8.273 135 HG12 VAL 19 2HG1 VAL 19 -6.428 -7.018 9.669 136 HG13 VAL 19 3HG1 VAL 19 -7.837 -6.285 8.902 137 HG21 VAL 19 1HG2 VAL 19 -7.198 -2.862 10.122 138 HG22 VAL 19 2HG2 VAL 19 -6.488 -3.414 8.605 139 HG23 VAL 19 3HG2 VAL 19 -8.154 -3.834 9.002 140 H ALA 20 H ALA 20 -8.632 -7.428 11.431 141 HA ALA 20 HA ALA 20 -6.776 -8.652 13.321 142 HB1 ALA 20 1HB ALA 20 -8.794 -9.331 14.057 143 HB2 ALA 20 2HB ALA 20 -9.550 -9.153 12.474 144 HB3 ALA 20 3HB ALA 20 -8.591 -10.589 12.836 145 H VAL 21 H VAL 21 -4.950 -9.258 12.277 146 HA VAL 21 HA VAL 21 -4.727 -10.159 9.651 147 HB VAL 21 HB VAL 21 -2.943 -11.026 11.926 148 HG11 VAL 21 1HG1 VAL 21 -1.727 -11.991 10.341 149 HG12 VAL 21 2HG1 VAL 21 -2.907 -11.498 9.125 150 HG13 VAL 21 3HG1 VAL 21 -1.554 -10.439 9.523 151 HG21 VAL 21 1HG2 VAL 21 -2.666 -8.820 12.266 152 HG22 VAL 21 2HG2 VAL 21 -1.675 -8.904 10.810 153 HG23 VAL 21 3HG2 VAL 21 -3.358 -8.387 10.703 154 H GLY 22 H GLY 22 -5.790 -11.812 12.500 155 HA2 GLY 22 2HA GLY 22 -5.989 -14.301 10.922 156 HA3 GLY 22 3HA GLY 22 -5.522 -14.317 12.615 157 H VAL 23 H VAL 23 -8.089 -14.484 10.436 158 HA VAL 23 HA VAL 23 -10.252 -13.404 11.765 159 HB VAL 23 HB VAL 23 -10.196 -15.991 10.205 160 HG11 VAL 23 1HG1 VAL 23 -12.250 -16.063 11.250 161 HG12 VAL 23 2HG1 VAL 23 -12.417 -14.305 11.278 162 HG13 VAL 23 3HG1 VAL 23 -12.639 -15.191 9.768 163 HG21 VAL 23 1HG2 VAL 23 -10.146 -14.804 8.310 164 HG22 VAL 23 2HG2 VAL 23 -11.284 -13.605 8.925 165 HG23 VAL 23 3HG2 VAL 23 -9.569 -13.473 9.313 166 H GLY 24 H GLY 24 -11.205 -13.785 13.654 167 HA2 GLY 24 2HA GLY 24 -11.878 -16.210 14.762 168 HA3 GLY 24 3HA GLY 24 -10.270 -15.865 15.379 169 H GLY 25 H GLY 25 -10.554 -13.031 15.557 170 HA2 GLY 25 2HA GLY 25 -12.629 -11.856 16.747 171 HA3 GLY 25 3HA GLY 25 -12.089 -12.931 18.028 172 H LYS 26 H LYS 26 -10.340 -12.389 19.240 173 HA LYS 26 HA LYS 26 -9.240 -9.717 18.778 174 HB2 LYS 26 2HB LYS 26 -10.227 -10.796 21.042 175 HB3 LYS 26 3HB LYS 26 -8.533 -11.227 21.228 176 HG2 LYS 26 2HG LYS 26 -8.408 -8.588 20.487 177 HG3 LYS 26 3HG LYS 26 -9.848 -8.648 21.505 178 HD2 LYS 26 2HD LYS 26 -8.206 -10.102 23.027 179 HD3 LYS 26 3HD LYS 26 -7.002 -9.112 22.198 180 HE2 LYS 26 2HE LYS 26 -8.264 -7.092 22.886 181 HE3 LYS 26 3HE LYS 26 -9.360 -8.127 23.801 182 HZ1 LYS 26 1HZ LYS 26 -7.879 -7.516 25.409 183 HZ2 LYS 26 2HZ LYS 26 -6.562 -7.441 24.351 184 HZ3 LYS 26 3HZ LYS 26 -7.144 -8.942 24.870 185 H SER 27 H SER 27 -8.348 -11.850 17.113 186 HA SER 27 HA SER 27 -5.903 -12.958 17.993 187 HB2 SER 27 2HB SER 27 -7.441 -13.509 15.908 188 HB3 SER 27 3HB SER 27 -6.353 -12.385 15.094 189 HG SER 27 HG SER 27 -5.655 -14.595 15.009 190 H LYS 28 H LYS 28 -3.948 -12.438 16.259 191 HA LYS 28 HA LYS 28 -2.768 -10.097 17.203 192 HB2 LYS 28 2HB LYS 28 -1.975 -12.259 15.648 193 HB3 LYS 28 3HB LYS 28 -1.777 -10.877 14.578 194 HG2 LYS 28 2HG LYS 28 -0.265 -9.826 16.058 195 HG3 LYS 28 3HG LYS 28 -0.652 -10.951 17.363 196 HD2 LYS 28 2HD LYS 28 1.262 -11.942 16.664 197 HD3 LYS 28 3HD LYS 28 0.168 -12.700 15.505 198 HE2 LYS 28 2HE LYS 28 1.134 -10.099 14.622 199 HE3 LYS 28 3HE LYS 28 2.437 -11.254 14.899 200 HZ1 LYS 28 1HZ LYS 28 0.149 -12.272 13.434 201 HZ2 LYS 28 2HZ LYS 28 1.801 -12.516 13.169 202 HZ3 LYS 28 3HZ LYS 28 1.059 -11.096 12.627 203 H LYS 29 H LYS 29 -3.078 -8.030 16.731 204 HA LYS 29 HA LYS 29 -4.689 -7.322 14.407 205 HB2 LYS 29 2HB LYS 29 -3.698 -5.638 16.715 206 HB3 LYS 29 3HB LYS 29 -4.767 -5.074 15.437 207 HG2 LYS 29 2HG LYS 29 -6.216 -7.136 16.242 208 HG3 LYS 29 3HG LYS 29 -5.331 -6.849 17.743 209 HD2 LYS 29 2HD LYS 29 -6.053 -4.486 17.673 210 HD3 LYS 29 3HD LYS 29 -7.004 -4.844 16.230 211 HE2 LYS 29 2HE LYS 29 -8.680 -5.279 17.641 212 HE3 LYS 29 3HE LYS 29 -7.826 -6.781 17.992 213 HZ1 LYS 29 1HZ LYS 29 -8.214 -4.467 19.651 214 HZ2 LYS 29 2HZ LYS 29 -6.606 -4.987 19.610 215 HZ3 LYS 29 3HZ LYS 29 -7.828 -6.056 20.086 216 H PHE 30 H PHE 30 -4.058 -5.422 13.103 217 HA PHE 30 HA PHE 30 -1.297 -5.678 12.280 218 HB2 PHE 30 2HB PHE 30 -3.780 -4.795 11.079 219 HB3 PHE 30 3HB PHE 30 -2.488 -3.636 10.780 220 HD1 PHE 30 HD1 PHE 30 -4.117 -6.132 9.254 221 HD2 PHE 30 HD2 PHE 30 -0.132 -5.135 10.368 222 HE1 PHE 30 HE1 PHE 30 -3.257 -7.566 7.449 223 HE2 PHE 30 HE2 PHE 30 0.735 -6.566 8.564 224 HZ PHE 30 HZ PHE 30 -0.828 -7.783 7.101 225 H GLY 31 H GLY 31 -0.431 -3.345 11.432 226 HA2 GLY 31 2HA GLY 31 -0.898 -1.079 13.020 227 HA3 GLY 31 3HA GLY 31 0.404 -2.001 13.757 228 H GLU 32 H GLU 32 0.933 0.519 12.935 229 HA GLU 32 HA GLU 32 1.760 0.924 10.321 230 HB2 GLU 32 2HB GLU 32 3.323 2.612 11.261 231 HB3 GLU 32 3HB GLU 32 1.688 2.751 11.891 232 HG2 GLU 32 2HG GLU 32 2.598 1.271 13.825 233 HG3 GLU 32 3HG GLU 32 4.171 1.828 13.259 234 H GLY 33 H GLY 33 3.530 -0.525 13.027 235 HA2 GLY 33 2HA GLY 33 6.001 -0.832 11.710 236 HA3 GLY 33 3HA GLY 33 5.456 -1.772 13.091 237 H ASN 34 H ASN 34 3.385 -3.206 12.200 238 HA ASN 34 HA ASN 34 4.564 -5.304 10.792 239 HB2 ASN 34 2HB ASN 34 1.634 -4.645 11.166 240 HB3 ASN 34 3HB ASN 34 2.239 -6.182 10.555 241 HD21 ASN 34 1HD2 ASN 34 1.735 -4.203 13.316 242 HD22 ASN 34 2HD2 ASN 34 2.239 -5.352 14.504 243 H PHE 35 H PHE 35 2.287 -2.821 9.651 244 HA PHE 35 HA PHE 35 1.988 -3.664 7.035 245 HB2 PHE 35 2HB PHE 35 0.655 -1.854 7.962 246 HB3 PHE 35 3HB PHE 35 2.084 -0.837 8.105 247 HD1 PHE 35 HD1 PHE 35 0.810 -2.970 5.326 248 HD2 PHE 35 HD2 PHE 35 1.866 0.933 6.656 249 HE1 PHE 35 HE1 PHE 35 0.405 -2.093 3.063 250 HE2 PHE 35 HE2 PHE 35 1.463 1.817 4.396 251 HZ PHE 35 HZ PHE 35 0.730 0.303 2.595 252 H ARG 36 H ARG 36 4.528 -1.639 8.438 253 HA ARG 36 HA ARG 36 5.854 -1.068 6.008 254 HB2 ARG 36 2HB ARG 36 6.928 -1.135 8.833 255 HB3 ARG 36 3HB ARG 36 7.764 -0.438 7.451 256 HG2 ARG 36 2HG ARG 36 5.036 0.560 7.960 257 HG3 ARG 36 3HG ARG 36 6.267 0.988 9.150 258 HD2 ARG 36 2HD ARG 36 7.495 1.402 6.691 259 HD3 ARG 36 3HD ARG 36 5.850 1.995 6.468 260 HE ARG 36 HE ARG 36 7.078 2.929 8.887 261 HH11 ARG 36 1HH1 ARG 36 6.720 3.488 5.469 262 HH12 ARG 36 2HH1 ARG 36 7.075 5.180 5.577 263 HH21 ARG 36 1HH2 ARG 36 7.546 5.156 9.041 264 HH22 ARG 36 2HH2 ARG 36 7.545 6.128 7.610 265 H TRP 37 H TRP 37 6.185 -3.659 8.375 266 HA TRP 37 HA TRP 37 8.542 -4.808 7.373 267 HB2 TRP 37 2HB TRP 37 7.772 -5.472 9.537 268 HB3 TRP 37 3HB TRP 37 6.219 -5.997 8.892 269 HD1 TRP 37 HD1 TRP 37 9.726 -7.201 9.543 270 HE1 TRP 37 HE1 TRP 37 9.924 -9.677 8.872 271 HE3 TRP 37 HE3 TRP 37 5.269 -7.736 7.098 272 HZ2 TRP 37 HZ2 TRP 37 8.392 -11.603 7.488 273 HZ3 TRP 37 HZ3 TRP 37 4.712 -9.928 6.128 274 HH2 TRP 37 HH2 TRP 37 6.243 -11.820 6.320 275 H ALA 38 H ALA 38 5.196 -5.100 6.388 276 HA ALA 38 HA ALA 38 5.577 -7.356 4.681 277 HB1 ALA 38 1HB ALA 38 3.375 -7.180 5.243 278 HB2 ALA 38 2HB ALA 38 3.386 -5.417 5.190 279 HB3 ALA 38 3HB ALA 38 3.344 -6.344 3.691 280 H ILE 39 H ILE 39 5.078 -3.890 3.995 281 HA ILE 39 HA ILE 39 5.542 -4.085 1.226 282 HB ILE 39 HB ILE 39 5.914 -1.629 1.307 283 HG12 ILE 39 2HG1 ILE 39 5.589 -2.039 4.288 284 HG13 ILE 39 3HG1 ILE 39 7.047 -1.491 3.469 285 HG21 ILE 39 1HG2 ILE 39 3.585 -3.088 1.910 286 HG22 ILE 39 2HG2 ILE 39 3.569 -1.658 2.941 287 HG23 ILE 39 3HG2 ILE 39 3.704 -1.481 1.192 288 HD11 ILE 39 1HD1 ILE 39 4.484 -0.032 3.932 289 HD12 ILE 39 2HD1 ILE 39 6.137 0.462 4.295 290 HD13 ILE 39 3HD1 ILE 39 5.569 0.444 2.626 291 H ARG 40 H ARG 40 7.696 -3.583 3.955 292 HA ARG 40 HA ARG 40 9.985 -2.798 2.516 293 HB2 ARG 40 2HB ARG 40 9.736 -2.560 4.966 294 HB3 ARG 40 3HB ARG 40 9.843 -4.308 5.132 295 HG2 ARG 40 2HG ARG 40 12.110 -4.254 4.211 296 HG3 ARG 40 3HG ARG 40 12.002 -2.498 4.069 297 HD2 ARG 40 2HD ARG 40 11.637 -3.959 6.675 298 HD3 ARG 40 3HD ARG 40 13.206 -3.385 6.109 299 HE ARG 40 HE ARG 40 11.180 -1.349 6.148 300 HH11 ARG 40 1HH1 ARG 40 13.595 -3.019 8.019 301 HH12 ARG 40 2HH1 ARG 40 13.798 -1.725 9.154 302 HH21 ARG 40 1HH2 ARG 40 11.438 0.361 7.635 303 HH22 ARG 40 2HH2 ARG 40 12.570 0.196 8.934 304 H MET 41 H MET 41 9.101 -6.003 3.814 305 HA MET 41 HA MET 41 11.247 -7.359 2.561 306 HB2 MET 41 2HB MET 41 9.853 -8.134 4.554 307 HB3 MET 41 3HB MET 41 8.635 -8.620 3.382 308 HG2 MET 41 2HG MET 41 10.702 -9.869 2.303 309 HG3 MET 41 3HG MET 41 11.291 -9.796 3.963 310 HE1 MET 41 1HE MET 41 10.827 -12.222 2.175 311 HE2 MET 41 2HE MET 41 11.116 -12.828 3.805 312 HE3 MET 41 3HE MET 41 9.716 -13.389 2.891 313 H ALA 42 H ALA 42 7.848 -6.892 1.680 314 HA ALA 42 HA ALA 42 7.822 -8.534 -0.596 315 HB1 ALA 42 1HB ALA 42 5.849 -7.196 -1.281 316 HB2 ALA 42 2HB ALA 42 5.764 -7.772 0.384 317 HB3 ALA 42 3HB ALA 42 6.181 -6.091 0.053 318 H ASN 43 H ASN 43 8.723 -5.152 -0.160 319 HA ASN 43 HA ASN 43 8.956 -4.484 -2.888 320 HB2 ASN 43 2HB ASN 43 9.970 -3.328 -0.327 321 HB3 ASN 43 3HB ASN 43 10.673 -2.758 -1.839 322 HD21 ASN 43 1HD2 ASN 43 9.211 -1.159 -0.063 323 HD22 ASN 43 2HD2 ASN 43 7.766 -0.647 -0.859 324 H VAL 44 H VAL 44 11.496 -5.310 -0.521 325 HA VAL 44 HA VAL 44 13.614 -5.397 -2.355 326 HB VAL 44 HB VAL 44 13.385 -7.013 0.186 327 HG11 VAL 44 1HG1 VAL 44 15.739 -6.083 -1.448 328 HG12 VAL 44 2HG1 VAL 44 15.872 -6.740 0.184 329 HG13 VAL 44 3HG1 VAL 44 15.242 -7.744 -1.123 330 HG21 VAL 44 1HG2 VAL 44 13.238 -5.042 1.225 331 HG22 VAL 44 2HG2 VAL 44 14.913 -4.784 0.738 332 HG23 VAL 44 3HG2 VAL 44 13.599 -4.145 -0.250 333 H SER 45 H SER 45 11.316 -7.860 -1.330 334 HA SER 45 HA SER 45 12.589 -10.081 -2.503 335 HB2 SER 45 2HB SER 45 9.777 -9.488 -1.642 336 HB3 SER 45 3HB SER 45 10.122 -10.964 -2.543 337 HG SER 45 HG SER 45 11.760 -10.356 -0.368 338 H THR 46 H THR 46 10.668 -7.525 -3.831 339 HA THR 46 HA THR 46 10.313 -8.940 -6.365 340 HB THR 46 HB THR 46 8.932 -7.050 -7.049 341 HG1 THR 46 HG1 THR 46 9.391 -5.930 -4.475 342 HG21 THR 46 1HG2 THR 46 7.329 -8.229 -6.036 343 HG22 THR 46 2HG2 THR 46 7.527 -7.163 -4.645 344 HG23 THR 46 3HG2 THR 46 8.410 -8.686 -4.721 345 H GLY 47 H GLY 47 12.950 -7.960 -5.327 346 HA2 GLY 47 2HA GLY 47 14.829 -6.903 -6.123 347 HA3 GLY 47 3HA GLY 47 14.135 -7.203 -7.709 348 H ARG 48 H ARG 48 12.493 -5.209 -5.372 349 HA ARG 48 HA ARG 48 13.027 -2.876 -7.082 350 HB2 ARG 48 2HB ARG 48 10.656 -3.746 -5.487 351 HB3 ARG 48 3HB ARG 48 10.922 -2.026 -5.734 352 HG2 ARG 48 2HG ARG 48 10.958 -2.420 -8.174 353 HG3 ARG 48 3HG ARG 48 10.577 -4.117 -7.872 354 HD2 ARG 48 2HD ARG 48 8.469 -3.540 -6.901 355 HD3 ARG 48 3HD ARG 48 8.869 -1.823 -6.924 356 HE ARG 48 HE ARG 48 8.909 -3.004 -9.531 357 HH11 ARG 48 1HH1 ARG 48 6.856 -1.636 -7.073 358 HH12 ARG 48 2HH1 ARG 48 5.618 -1.160 -8.189 359 HH21 ARG 48 1HH2 ARG 48 7.286 -2.383 -11.009 360 HH22 ARG 48 2HH2 ARG 48 5.863 -1.586 -10.427 361 H GLU 49 H GLU 49 13.621 -0.916 -6.180 362 HA GLU 49 HA GLU 49 15.318 -0.918 -4.004 363 HB2 GLU 49 2HB GLU 49 13.971 1.149 -5.619 364 HB3 GLU 49 3HB GLU 49 14.485 1.672 -4.021 365 HG2 GLU 49 2HG GLU 49 16.307 2.189 -5.331 366 HG3 GLU 49 3HG GLU 49 16.754 0.622 -4.658 367 HA PRO 50 HA PRO 50 12.920 -0.749 -0.336 368 HB2 PRO 50 2HB PRO 50 14.294 1.033 1.183 369 HB3 PRO 50 3HB PRO 50 14.892 -0.593 0.834 370 HG2 PRO 50 2HG PRO 50 15.609 2.007 -0.465 371 HG3 PRO 50 3HG PRO 50 16.668 0.672 0.028 372 HD2 PRO 50 2HD PRO 50 15.880 1.037 -2.537 373 HD3 PRO 50 3HD PRO 50 16.183 -0.572 -1.851 374 H GLY 51 H GLY 51 13.472 2.183 -2.109 375 HA2 GLY 51 2HA GLY 51 11.566 3.719 -0.538 376 HA3 GLY 51 3HA GLY 51 12.462 4.285 -1.941 377 H ASP 52 H ASP 52 10.244 1.542 -1.463 378 HA ASP 52 HA ASP 52 8.769 2.436 -3.837 379 HB2 ASP 52 2HB ASP 52 9.551 -0.146 -2.810 380 HB3 ASP 52 3HB ASP 52 7.805 -0.080 -3.035 381 H ILE 53 H ILE 53 7.429 3.995 -2.965 382 HA ILE 53 HA ILE 53 5.451 3.020 -1.008 383 HB ILE 53 HB ILE 53 5.131 5.468 -0.431 384 HG12 ILE 53 2HG1 ILE 53 7.887 6.087 -1.231 385 HG13 ILE 53 3HG1 ILE 53 6.781 5.890 -2.588 386 HG21 ILE 53 1HG2 ILE 53 6.153 4.370 1.278 387 HG22 ILE 53 2HG2 ILE 53 7.466 3.778 0.261 388 HG23 ILE 53 3HG2 ILE 53 7.471 5.449 0.824 389 HD11 ILE 53 1HD1 ILE 53 5.259 7.510 -1.293 390 HD12 ILE 53 2HD1 ILE 53 6.718 7.902 -0.381 391 HD13 ILE 53 3HD1 ILE 53 6.674 8.151 -2.126 392 HA PRO 54 HA PRO 54 3.261 3.988 -4.987 393 HB2 PRO 54 2HB PRO 54 1.715 1.757 -4.946 394 HB3 PRO 54 3HB PRO 54 3.337 1.788 -5.646 395 HG2 PRO 54 2HG PRO 54 2.453 0.815 -2.957 396 HG3 PRO 54 3HG PRO 54 3.600 0.078 -4.093 397 HD2 PRO 54 2HD PRO 54 4.400 1.502 -1.933 398 HD3 PRO 54 3HD PRO 54 5.323 1.467 -3.449 399 H GLU 55 H GLU 55 1.315 4.994 -5.117 400 HA GLU 55 HA GLU 55 -0.506 4.756 -2.816 401 HB2 GLU 55 2HB GLU 55 0.097 7.308 -4.319 402 HB3 GLU 55 3HB GLU 55 -0.964 7.136 -2.928 403 HG2 GLU 55 2HG GLU 55 0.723 7.390 -1.521 404 HG3 GLU 55 3HG GLU 55 1.656 6.128 -2.321 405 H THR 56 H THR 56 -0.851 3.210 -5.043 406 HA THR 56 HA THR 56 -3.358 4.279 -6.088 407 HB THR 56 HB THR 56 -2.878 3.846 -8.376 408 HG1 THR 56 HG1 THR 56 -1.311 2.541 -8.996 409 HG21 THR 56 1HG2 THR 56 -0.964 5.332 -8.831 410 HG22 THR 56 2HG2 THR 56 -0.504 5.239 -7.131 411 HG23 THR 56 3HG2 THR 56 -2.032 5.988 -7.592 412 H LEU 57 H LEU 57 -4.912 2.764 -6.260 413 HA LEU 57 HA LEU 57 -4.698 0.284 -5.064 414 HB2 LEU 57 2HB LEU 57 -6.761 1.684 -5.871 415 HB3 LEU 57 3HB LEU 57 -6.626 0.673 -7.308 416 HG LEU 57 HG LEU 57 -6.633 -0.833 -4.798 417 HD11 LEU 57 1HD1 LEU 57 -9.333 -0.351 -5.102 418 HD12 LEU 57 2HD1 LEU 57 -8.607 1.252 -5.216 419 HD13 LEU 57 3HD1 LEU 57 -8.304 0.246 -3.800 420 HD21 LEU 57 1HD2 LEU 57 -8.487 -1.996 -6.149 421 HD22 LEU 57 2HD2 LEU 57 -6.832 -2.086 -6.750 422 HD23 LEU 57 3HD2 LEU 57 -7.974 -0.955 -7.476 423 H ASP 58 H ASP 58 -4.024 1.215 -8.361 424 HA ASP 58 HA ASP 58 -3.967 -1.378 -9.491 425 HB2 ASP 58 2HB ASP 58 -4.103 0.722 -10.815 426 HB3 ASP 58 3HB ASP 58 -2.435 1.076 -10.375 427 H GLN 59 H GLN 59 -1.492 0.642 -7.980 428 HA GLN 59 HA GLN 59 0.703 -1.039 -8.546 429 HB2 GLN 59 2HB GLN 59 0.175 1.317 -6.898 430 HB3 GLN 59 3HB GLN 59 1.366 0.235 -6.190 431 HG2 GLN 59 2HG GLN 59 2.895 1.136 -7.502 432 HG3 GLN 59 3HG GLN 59 2.051 0.460 -8.893 433 HE21 GLN 59 1HE2 GLN 59 1.629 3.174 -6.641 434 HE22 GLN 59 2HE2 GLN 59 1.290 4.352 -7.858 435 H LEU 60 H LEU 60 -1.476 -0.825 -5.762 436 HA LEU 60 HA LEU 60 -0.199 -2.673 -4.105 437 HB2 LEU 60 2HB LEU 60 -3.006 -1.699 -4.368 438 HB3 LEU 60 3HB LEU 60 -2.658 -3.051 -3.293 439 HG LEU 60 HG LEU 60 -2.747 -0.977 -2.047 440 HD11 LEU 60 1HD1 LEU 60 -0.834 -1.291 -0.781 441 HD12 LEU 60 2HD1 LEU 60 0.162 -1.660 -2.189 442 HD13 LEU 60 3HD1 LEU 60 -1.010 -2.841 -1.603 443 HD21 LEU 60 1HD2 LEU 60 -2.177 0.578 -3.819 444 HD22 LEU 60 2HD2 LEU 60 -0.533 -0.057 -3.878 445 HD23 LEU 60 3HD2 LEU 60 -1.098 0.800 -2.443 446 H ARG 61 H ARG 61 -2.814 -3.181 -6.463 447 HA ARG 61 HA ARG 61 -3.087 -5.943 -6.079 448 HB2 ARG 61 2HB ARG 61 -4.795 -4.762 -7.262 449 HB3 ARG 61 3HB ARG 61 -3.650 -4.190 -8.468 450 HG2 ARG 61 2HG ARG 61 -3.887 -7.115 -8.205 451 HG3 ARG 61 3HG ARG 61 -5.299 -6.271 -8.843 452 HD2 ARG 61 2HD ARG 61 -2.485 -6.058 -9.909 453 HD3 ARG 61 3HD ARG 61 -3.790 -7.000 -10.629 454 HE ARG 61 HE ARG 61 -3.351 -4.205 -10.911 455 HH11 ARG 61 1HH1 ARG 61 -5.851 -6.618 -10.697 456 HH12 ARG 61 2HH1 ARG 61 -7.006 -5.689 -11.595 457 HH21 ARG 61 1HH2 ARG 61 -4.862 -2.973 -12.093 458 HH22 ARG 61 2HH2 ARG 61 -6.442 -3.615 -12.389 459 H LEU 62 H LEU 62 -0.923 -4.077 -8.133 460 HA LEU 62 HA LEU 62 0.096 -6.279 -9.605 461 HB2 LEU 62 2HB LEU 62 0.243 -3.888 -10.287 462 HB3 LEU 62 3HB LEU 62 1.450 -3.650 -9.025 463 HG LEU 62 HG LEU 62 2.815 -5.441 -10.233 464 HD11 LEU 62 1HD1 LEU 62 2.287 -6.089 -12.369 465 HD12 LEU 62 2HD1 LEU 62 1.258 -4.688 -12.659 466 HD13 LEU 62 3HD1 LEU 62 0.683 -6.006 -11.640 467 HD21 LEU 62 1HD2 LEU 62 2.344 -2.904 -11.782 468 HD22 LEU 62 2HD2 LEU 62 3.839 -3.829 -11.636 469 HD23 LEU 62 3HD2 LEU 62 3.206 -2.951 -10.243 470 H VAL 63 H VAL 63 1.286 -4.524 -6.756 471 HA VAL 63 HA VAL 63 3.685 -5.883 -6.396 472 HB VAL 63 HB VAL 63 1.860 -4.774 -4.258 473 HG11 VAL 63 1HG1 VAL 63 3.311 -5.932 -2.956 474 HG12 VAL 63 2HG1 VAL 63 4.571 -5.958 -4.192 475 HG13 VAL 63 3HG1 VAL 63 4.309 -4.504 -3.228 476 HG21 VAL 63 1HG2 VAL 63 4.155 -3.167 -4.789 477 HG22 VAL 63 2HG2 VAL 63 3.312 -3.476 -6.307 478 HG23 VAL 63 3HG2 VAL 63 2.450 -2.748 -4.952 479 H ILE 64 H ILE 64 0.417 -6.738 -5.382 480 HA ILE 64 HA ILE 64 1.108 -8.926 -3.743 481 HB ILE 64 HB ILE 64 -1.437 -8.452 -5.299 482 HG12 ILE 64 2HG1 ILE 64 -1.106 -8.013 -2.353 483 HG13 ILE 64 3HG1 ILE 64 -0.558 -6.775 -3.478 484 HG21 ILE 64 1HG2 ILE 64 -2.102 -10.454 -4.613 485 HG22 ILE 64 2HG2 ILE 64 -0.559 -10.711 -3.799 486 HG23 ILE 64 3HG2 ILE 64 -1.889 -9.938 -2.940 487 HD11 ILE 64 1HD1 ILE 64 -2.971 -6.724 -2.468 488 HD12 ILE 64 2HD1 ILE 64 -2.677 -6.250 -4.141 489 HD13 ILE 64 3HD1 ILE 64 -3.311 -7.854 -3.776 490 H CYS 65 H CYS 65 -0.131 -8.891 -7.090 491 HA CYS 65 HA CYS 65 0.067 -11.597 -7.619 492 HB2 CYS 65 2HB CYS 65 -0.998 -9.893 -9.101 493 HB3 CYS 65 3HB CYS 65 0.608 -9.373 -9.595 494 HG CYS 65 HG CYS 65 -0.662 -10.980 -11.582 495 H ASP 66 H ASP 66 2.550 -9.099 -7.856 496 HA ASP 66 HA ASP 66 4.541 -10.663 -9.077 497 HB2 ASP 66 2HB ASP 66 4.901 -8.344 -7.166 498 HB3 ASP 66 3HB ASP 66 6.114 -8.968 -8.280 499 H LEU 67 H LEU 67 4.077 -9.855 -5.635 500 HA LEU 67 HA LEU 67 6.153 -11.435 -4.637 501 HB2 LEU 67 2HB LEU 67 4.301 -9.728 -3.574 502 HB3 LEU 67 3HB LEU 67 3.780 -11.283 -2.928 503 HG LEU 67 HG LEU 67 6.051 -11.603 -1.989 504 HD11 LEU 67 1HD1 LEU 67 7.745 -10.103 -2.201 505 HD12 LEU 67 2HD1 LEU 67 6.657 -8.728 -2.387 506 HD13 LEU 67 3HD1 LEU 67 6.936 -9.821 -3.742 507 HD21 LEU 67 1HD2 LEU 67 5.832 -9.764 -0.258 508 HD22 LEU 67 2HD2 LEU 67 4.423 -10.801 -0.484 509 HD23 LEU 67 3HD2 LEU 67 4.451 -9.185 -1.192 510 H GLN 68 H GLN 68 2.704 -12.201 -5.035 511 HA GLN 68 HA GLN 68 2.844 -14.822 -4.024 512 HB2 GLN 68 2HB GLN 68 0.793 -13.286 -4.612 513 HB3 GLN 68 3HB GLN 68 0.893 -14.094 -6.171 514 HG2 GLN 68 2HG GLN 68 1.039 -16.138 -4.283 515 HG3 GLN 68 3HG GLN 68 -0.198 -15.035 -3.682 516 HE21 GLN 68 1HE2 GLN 68 -2.148 -15.596 -4.293 517 HE22 GLN 68 2HE2 GLN 68 -2.583 -16.312 -5.804 518 H GLU 69 H GLU 69 3.505 -13.478 -7.181 519 HA GLU 69 HA GLU 69 3.465 -15.863 -8.673 520 HB2 GLU 69 2HB GLU 69 4.441 -13.119 -9.044 521 HB3 GLU 69 3HB GLU 69 5.361 -14.328 -9.928 522 HG2 GLU 69 2HG GLU 69 3.115 -15.170 -10.782 523 HG3 GLU 69 3HG GLU 69 2.449 -13.662 -10.160 524 H ARG 70 H ARG 70 6.159 -14.155 -7.097 525 HA ARG 70 HA ARG 70 8.159 -16.001 -7.807 526 HB2 ARG 70 2HB ARG 70 8.269 -13.588 -6.729 527 HB3 ARG 70 3HB ARG 70 8.330 -14.504 -5.230 528 HG2 ARG 70 2HG ARG 70 10.379 -15.445 -5.732 529 HG3 ARG 70 3HG ARG 70 10.192 -15.172 -7.465 530 HD2 ARG 70 2HD ARG 70 10.662 -12.881 -7.264 531 HD3 ARG 70 3HD ARG 70 10.406 -12.896 -5.521 532 HE ARG 70 HE ARG 70 12.589 -13.499 -5.261 533 HH11 ARG 70 1HH1 ARG 70 11.610 -14.238 -8.519 534 HH12 ARG 70 2HH1 ARG 70 13.198 -14.706 -9.029 535 HH21 ARG 70 1HH2 ARG 70 14.685 -14.111 -5.920 536 HH22 ARG 70 2HH2 ARG 70 14.946 -14.635 -7.550 537 H ARG 71 H ARG 71 6.240 -15.686 -4.827 538 HA ARG 71 HA ARG 71 7.376 -17.886 -3.491 539 HB2 ARG 71 2HB ARG 71 6.136 -16.278 -2.228 540 HB3 ARG 71 3HB ARG 71 4.698 -16.526 -3.208 541 HG2 ARG 71 2HG ARG 71 5.764 -18.889 -1.788 542 HG3 ARG 71 3HG ARG 71 5.030 -17.622 -0.802 543 HD2 ARG 71 2HD ARG 71 3.283 -17.942 -2.937 544 HD3 ARG 71 3HD ARG 71 3.783 -19.583 -2.532 545 HE ARG 71 HE ARG 71 3.159 -18.393 -0.137 546 HH11 ARG 71 1HH1 ARG 71 1.501 -19.045 -3.127 547 HH12 ARG 71 2HH1 ARG 71 -0.057 -19.194 -2.382 548 HH21 ARG 71 1HH2 ARG 71 1.113 -18.587 0.856 549 HH22 ARG 71 2HH2 ARG 71 -0.275 -18.933 -0.117 550 H GLU 72 H GLU 72 4.895 -17.649 -5.918 551 HA GLU 72 HA GLU 72 3.724 -20.201 -5.517 552 HB2 GLU 72 2HB GLU 72 2.546 -18.476 -6.751 553 HB3 GLU 72 3HB GLU 72 3.816 -18.432 -7.966 554 HG2 GLU 72 2HG GLU 72 3.132 -20.365 -8.958 555 HG3 GLU 72 3HG GLU 72 2.444 -21.017 -7.472 556 H LYS 73 H LYS 73 5.977 -19.062 -8.039 557 HA LYS 73 HA LYS 73 6.491 -21.527 -9.208 558 HB2 LYS 73 2HB LYS 73 8.392 -19.193 -8.920 559 HB3 LYS 73 3HB LYS 73 8.554 -20.510 -10.075 560 HG2 LYS 73 2HG LYS 73 5.966 -19.373 -10.372 561 HG3 LYS 73 3HG LYS 73 7.158 -18.071 -10.368 562 HD2 LYS 73 2HD LYS 73 7.329 -18.578 -12.560 563 HD3 LYS 73 3HD LYS 73 8.396 -19.855 -11.971 564 HE2 LYS 73 2HE LYS 73 6.442 -21.380 -11.892 565 HE3 LYS 73 3HE LYS 73 5.458 -20.104 -12.605 566 HZ1 LYS 73 1HZ LYS 73 7.463 -20.205 -14.344 567 HZ2 LYS 73 2HZ LYS 73 6.052 -21.124 -14.504 568 HZ3 LYS 73 3HZ LYS 73 7.444 -21.821 -13.844 569 H PHE 74 H PHE 74 7.920 -20.031 -6.367 570 HA PHE 74 HA PHE 74 9.947 -22.052 -6.067 571 HB2 PHE 74 2HB PHE 74 9.338 -19.503 -4.891 572 HB3 PHE 74 3HB PHE 74 9.567 -20.694 -3.614 573 HD1 PHE 74 HD1 PHE 74 11.700 -22.051 -3.609 574 HD2 PHE 74 HD2 PHE 74 11.160 -18.590 -6.028 575 HE1 PHE 74 HE1 PHE 74 14.140 -21.850 -3.860 576 HE2 PHE 74 HE2 PHE 74 13.598 -18.385 -6.284 577 HZ PHE 74 HZ PHE 74 15.091 -20.016 -5.200 578 H GLY 75 H GLY 75 6.679 -21.570 -5.008 579 HA2 GLY 75 2HA GLY 75 5.657 -23.829 -4.434 580 HA3 GLY 75 3HA GLY 75 6.914 -23.895 -3.207 581 H SER 76 H SER 76 6.783 -22.536 -1.393 582 HA SER 76 HA SER 76 4.504 -20.789 -1.071 583 HB2 SER 76 2HB SER 76 4.113 -22.248 1.191 584 HB3 SER 76 3HB SER 76 3.185 -22.466 -0.293 585 HG SER 76 HG SER 76 3.955 -24.458 0.313 586 H SER 77 H SER 77 4.475 -19.875 1.222 587 HA SER 77 HA SER 77 6.756 -20.025 2.869 588 HB2 SER 77 2HB SER 77 8.057 -18.922 1.255 589 HB3 SER 77 3HB SER 77 6.733 -17.858 0.780 590 HG SER 77 HG SER 77 8.425 -17.717 3.014 591 H LYS 78 H LYS 78 6.172 -19.312 4.815 592 HA LYS 78 HA LYS 78 3.623 -18.153 5.250 593 HB2 LYS 78 2HB LYS 78 4.946 -19.649 6.834 594 HB3 LYS 78 3HB LYS 78 5.885 -18.220 7.245 595 HG2 LYS 78 2HG LYS 78 4.371 -17.809 8.810 596 HG3 LYS 78 3HG LYS 78 3.252 -17.398 7.509 597 HD2 LYS 78 2HD LYS 78 3.018 -20.085 7.509 598 HD3 LYS 78 3HD LYS 78 3.386 -19.805 9.213 599 HE2 LYS 78 2HE LYS 78 1.555 -17.919 8.925 600 HE3 LYS 78 3HE LYS 78 1.027 -18.962 7.605 601 HZ1 LYS 78 1HZ LYS 78 0.773 -19.333 10.438 602 HZ2 LYS 78 2HZ LYS 78 1.417 -20.689 9.661 603 HZ3 LYS 78 3HZ LYS 78 -0.078 -20.066 9.173 604 H GLU 79 H GLU 79 6.921 -16.853 5.571 605 HA GLU 79 HA GLU 79 6.245 -14.288 6.419 606 HB2 GLU 79 2HB GLU 79 8.585 -15.368 4.871 607 HB3 GLU 79 3HB GLU 79 8.457 -13.655 5.244 608 HG2 GLU 79 2HG GLU 79 8.200 -14.360 7.669 609 HG3 GLU 79 3HG GLU 79 8.723 -15.958 7.144 610 H ILE 80 H ILE 80 6.764 -15.488 3.111 611 HA ILE 80 HA ILE 80 6.260 -13.063 1.792 612 HB ILE 80 HB ILE 80 5.798 -15.869 0.775 613 HG12 ILE 80 2HG1 ILE 80 8.192 -14.076 0.347 614 HG13 ILE 80 3HG1 ILE 80 8.121 -15.311 1.600 615 HG21 ILE 80 1HG2 ILE 80 4.777 -14.732 -0.882 616 HG22 ILE 80 2HG2 ILE 80 5.557 -13.208 -0.462 617 HG23 ILE 80 3HG2 ILE 80 6.431 -14.416 -1.405 618 HD11 ILE 80 1HD1 ILE 80 7.410 -16.672 -0.686 619 HD12 ILE 80 2HD1 ILE 80 8.669 -15.564 -1.230 620 HD13 ILE 80 3HD1 ILE 80 8.990 -16.685 0.093 621 H ASP 81 H ASP 81 4.087 -15.830 2.361 622 HA ASP 81 HA ASP 81 1.790 -14.821 1.209 623 HB2 ASP 81 2HB ASP 81 1.832 -17.095 1.954 624 HB3 ASP 81 3HB ASP 81 2.131 -16.607 3.621 625 H MET 82 H MET 82 3.173 -14.132 4.365 626 HA MET 82 HA MET 82 0.959 -12.765 5.456 627 HB2 MET 82 2HB MET 82 3.886 -12.863 6.050 628 HB3 MET 82 3HB MET 82 2.910 -11.613 6.809 629 HG2 MET 82 2HG MET 82 1.382 -13.488 7.578 630 HG3 MET 82 3HG MET 82 2.670 -14.588 7.088 631 HE1 MET 82 1HE MET 82 4.934 -14.863 9.741 632 HE2 MET 82 2HE MET 82 3.305 -15.476 10.023 633 HE3 MET 82 3HE MET 82 3.989 -15.506 8.397 634 H ALA 83 H ALA 83 3.940 -11.479 3.974 635 HA ALA 83 HA ALA 83 3.319 -8.792 4.026 636 HB1 ALA 83 1HB ALA 83 4.633 -9.215 1.582 637 HB2 ALA 83 2HB ALA 83 5.348 -8.764 3.130 638 HB3 ALA 83 3HB ALA 83 5.219 -10.464 2.681 639 H ILE 84 H ILE 84 2.232 -11.265 1.779 640 HA ILE 84 HA ILE 84 1.112 -9.553 -0.162 641 HB ILE 84 HB ILE 84 0.295 -12.369 0.567 642 HG12 ILE 84 2HG1 ILE 84 2.026 -11.542 -1.752 643 HG13 ILE 84 3HG1 ILE 84 2.721 -11.864 -0.167 644 HG21 ILE 84 1HG2 ILE 84 -1.391 -12.042 -0.847 645 HG22 ILE 84 2HG2 ILE 84 -0.768 -10.466 -1.331 646 HG23 ILE 84 3HG2 ILE 84 -0.189 -11.927 -2.132 647 HD11 ILE 84 1HD1 ILE 84 2.757 -14.021 -0.626 648 HD12 ILE 84 2HD1 ILE 84 1.005 -14.019 -0.829 649 HD13 ILE 84 3HD1 ILE 84 2.054 -13.697 -2.210 650 H VAL 85 H VAL 85 -0.494 -11.402 2.435 651 HA VAL 85 HA VAL 85 -3.044 -10.325 2.095 652 HB VAL 85 HB VAL 85 -1.863 -11.199 4.732 653 HG11 VAL 85 1HG1 VAL 85 -4.097 -10.040 4.710 654 HG12 VAL 85 2HG1 VAL 85 -4.707 -11.400 3.765 655 HG13 VAL 85 3HG1 VAL 85 -4.095 -11.664 5.397 656 HG21 VAL 85 1HG2 VAL 85 -1.519 -13.176 3.746 657 HG22 VAL 85 2HG2 VAL 85 -3.276 -13.337 3.726 658 HG23 VAL 85 3HG2 VAL 85 -2.432 -12.713 2.309 659 H THR 86 H THR 86 -0.234 -9.048 3.709 660 HA THR 86 HA THR 86 -1.508 -7.086 5.288 661 HB THR 86 HB THR 86 1.264 -6.880 4.108 662 HG1 THR 86 HG1 THR 86 1.744 -8.534 5.322 663 HG21 THR 86 1HG2 THR 86 -0.271 -5.338 6.034 664 HG22 THR 86 2HG2 THR 86 1.252 -4.946 5.233 665 HG23 THR 86 3HG2 THR 86 1.253 -5.918 6.705 666 H LEU 87 H LEU 87 0.123 -6.804 2.128 667 HA LEU 87 HA LEU 87 -0.588 -4.104 1.710 668 HB2 LEU 87 2HB LEU 87 0.304 -6.315 -0.109 669 HB3 LEU 87 3HB LEU 87 -0.124 -4.726 -0.740 670 HG LEU 87 HG LEU 87 1.900 -4.878 1.437 671 HD11 LEU 87 1HD1 LEU 87 3.352 -4.965 -0.937 672 HD12 LEU 87 2HD1 LEU 87 2.160 -6.256 -1.082 673 HD13 LEU 87 3HD1 LEU 87 3.255 -6.219 0.300 674 HD21 LEU 87 1HD2 LEU 87 1.292 -3.114 -0.909 675 HD22 LEU 87 2HD2 LEU 87 2.863 -3.060 -0.108 676 HD23 LEU 87 3HD2 LEU 87 1.395 -2.695 0.802 677 H LYS 88 H LYS 88 -2.310 -7.064 1.294 678 HA LYS 88 HA LYS 88 -4.213 -6.165 -0.615 679 HB2 LYS 88 2HB LYS 88 -3.688 -8.557 0.881 680 HB3 LYS 88 3HB LYS 88 -5.394 -8.152 1.019 681 HG2 LYS 88 2HG LYS 88 -5.815 -8.753 -1.083 682 HG3 LYS 88 3HG LYS 88 -4.393 -7.908 -1.702 683 HD2 LYS 88 2HD LYS 88 -2.987 -9.750 -1.277 684 HD3 LYS 88 3HD LYS 88 -4.187 -10.529 -0.242 685 HE2 LYS 88 2HE LYS 88 -5.655 -10.729 -2.270 686 HE3 LYS 88 3HE LYS 88 -4.287 -10.174 -3.233 687 HZ1 LYS 88 1HZ LYS 88 -4.613 -12.656 -3.052 688 HZ2 LYS 88 2HZ LYS 88 -4.103 -12.525 -1.445 689 HZ3 LYS 88 3HZ LYS 88 -3.060 -12.082 -2.700 690 H VAL 89 H VAL 89 -4.621 -6.803 2.875 691 HA VAL 89 HA VAL 89 -7.116 -5.623 3.161 692 HB VAL 89 HB VAL 89 -6.196 -6.983 4.928 693 HG11 VAL 89 1HG1 VAL 89 -3.831 -6.251 4.579 694 HG12 VAL 89 2HG1 VAL 89 -4.214 -4.781 5.478 695 HG13 VAL 89 3HG1 VAL 89 -4.323 -6.354 6.270 696 HG21 VAL 89 1HG2 VAL 89 -7.528 -4.584 5.305 697 HG22 VAL 89 2HG2 VAL 89 -7.377 -5.895 6.476 698 HG23 VAL 89 3HG2 VAL 89 -6.236 -4.551 6.507 699 H PHE 90 H PHE 90 -3.903 -4.167 3.342 700 HA PHE 90 HA PHE 90 -4.799 -1.603 4.178 701 HB2 PHE 90 2HB PHE 90 -2.502 -2.247 4.562 702 HB3 PHE 90 3HB PHE 90 -2.237 -2.487 2.838 703 HD1 PHE 90 HD1 PHE 90 -2.089 -0.563 1.325 704 HD2 PHE 90 HD2 PHE 90 -2.434 -0.075 5.540 705 HE1 PHE 90 HE1 PHE 90 -1.342 1.772 1.113 706 HE2 PHE 90 HE2 PHE 90 -1.687 2.261 5.334 707 HZ PHE 90 HZ PHE 90 -1.142 3.188 3.119 708 H ALA 91 H ALA 91 -4.281 -3.117 1.056 709 HA ALA 91 HA ALA 91 -4.434 -0.789 -0.532 710 HB1 ALA 91 1HB ALA 91 -5.041 -3.665 -1.192 711 HB2 ALA 91 2HB ALA 91 -4.959 -2.365 -2.382 712 HB3 ALA 91 3HB ALA 91 -3.524 -2.805 -1.456 713 H VAL 92 H VAL 92 -6.909 -3.230 0.260 714 HA VAL 92 HA VAL 92 -9.022 -1.821 -1.019 715 HB VAL 92 HB VAL 92 -9.236 -3.928 1.136 716 HG11 VAL 92 1HG1 VAL 92 -11.217 -3.114 -0.988 717 HG12 VAL 92 2HG1 VAL 92 -11.455 -4.321 0.277 718 HG13 VAL 92 3HG1 VAL 92 -11.290 -2.617 0.701 719 HG21 VAL 92 1HG2 VAL 92 -7.872 -4.620 -0.831 720 HG22 VAL 92 2HG2 VAL 92 -9.346 -5.565 -0.617 721 HG23 VAL 92 3HG2 VAL 92 -9.275 -4.311 -1.855 722 H ALA 93 H ALA 93 -8.281 -2.340 2.433 723 HA ALA 93 HA ALA 93 -10.266 -0.583 3.397 724 HB1 ALA 93 1HB ALA 93 -7.712 -1.315 4.814 725 HB2 ALA 93 2HB ALA 93 -9.247 -0.829 5.534 726 HB3 ALA 93 3HB ALA 93 -9.113 -2.382 4.710 727 H GLY 94 H GLY 94 -7.312 0.030 1.856 728 HA2 GLY 94 2HA GLY 94 -7.043 2.687 3.077 729 HA3 GLY 94 3HA GLY 94 -5.844 1.895 2.065 730 H LEU 95 H LEU 95 -6.505 1.559 -0.248 731 HA LEU 95 HA LEU 95 -7.135 4.012 -1.433 732 HB2 LEU 95 2HB LEU 95 -7.048 1.203 -2.484 733 HB3 LEU 95 3HB LEU 95 -7.478 2.563 -3.519 734 HG LEU 95 HG LEU 95 -5.172 2.047 -3.870 735 HD11 LEU 95 1HD1 LEU 95 -5.996 4.487 -3.528 736 HD12 LEU 95 2HD1 LEU 95 -4.267 4.156 -3.640 737 HD13 LEU 95 3HD1 LEU 95 -5.013 4.421 -2.064 738 HD21 LEU 95 1HD2 LEU 95 -4.697 2.448 -0.923 739 HD22 LEU 95 2HD2 LEU 95 -3.534 1.925 -2.142 740 HD23 LEU 95 3HD2 LEU 95 -4.870 0.866 -1.685 741 H LEU 96 H LEU 96 -9.129 1.141 -0.867 742 HA LEU 96 HA LEU 96 -11.463 2.450 -2.003 743 HB2 LEU 96 2HB LEU 96 -10.651 -0.170 -1.844 744 HB3 LEU 96 3HB LEU 96 -11.893 -0.071 -0.597 745 HG LEU 96 HG LEU 96 -12.980 1.168 -2.872 746 HD11 LEU 96 1HD1 LEU 96 -12.831 -0.681 -4.521 747 HD12 LEU 96 2HD1 LEU 96 -11.555 -1.401 -3.541 748 HD13 LEU 96 3HD1 LEU 96 -11.310 0.180 -4.282 749 HD21 LEU 96 1HD2 LEU 96 -13.856 -0.449 -0.967 750 HD22 LEU 96 2HD2 LEU 96 -13.612 -1.662 -2.223 751 HD23 LEU 96 3HD2 LEU 96 -14.690 -0.296 -2.513 752 H ASN 97 H ASN 97 -9.908 2.493 0.911 753 HA ASN 97 HA ASN 97 -10.483 3.027 3.052 754 HB2 ASN 97 2HB ASN 97 -12.457 4.531 1.367 755 HB3 ASN 97 3HB ASN 97 -12.571 4.605 3.122 756 HD21 ASN 97 1HD2 ASN 97 -11.662 6.420 0.765 757 HD22 ASN 97 2HD2 ASN 97 -10.227 7.154 1.389 758 H MET 98 H MET 98 -11.541 0.523 2.001 759 HA MET 98 HA MET 98 -14.191 0.247 3.129 760 HB2 MET 98 2HB MET 98 -12.845 -1.067 1.136 761 HB3 MET 98 3HB MET 98 -12.725 -2.209 2.467 762 HG2 MET 98 2HG MET 98 -15.062 -2.404 2.649 763 HG3 MET 98 3HG MET 98 -15.334 -0.991 1.633 764 HE1 MET 98 1HE MET 98 -15.755 -5.022 0.922 765 HE2 MET 98 2HE MET 98 -14.011 -5.133 0.689 766 HE3 MET 98 3HE MET 98 -14.659 -4.431 2.171 767 H THR 99 H THR 99 -14.341 -2.028 4.428 768 HA THR 99 HA THR 99 -12.303 -1.995 6.545 769 HB THR 99 HB THR 99 -14.087 -2.247 8.256 770 HG1 THR 99 HG1 THR 99 -16.235 -1.647 7.586 771 HG21 THR 99 1HG2 THR 99 -13.646 0.189 6.646 772 HG22 THR 99 2HG2 THR 99 -13.429 -0.083 8.375 773 HG23 THR 99 3HG2 THR 99 -15.040 0.220 7.725 774 H VAL 100 H VAL 100 -11.698 -3.907 5.180 775 HA VAL 100 HA VAL 100 -13.290 -6.198 4.962 776 HB VAL 100 HB VAL 100 -11.233 -7.439 4.571 777 HG11 VAL 100 1HG1 VAL 100 -11.413 -6.537 2.546 778 HG12 VAL 100 2HG1 VAL 100 -11.955 -4.996 3.216 779 HG13 VAL 100 3HG1 VAL 100 -10.230 -5.329 3.049 780 HG21 VAL 100 1HG2 VAL 100 -9.108 -5.821 4.661 781 HG22 VAL 100 2HG2 VAL 100 -10.037 -5.135 5.994 782 HG23 VAL 100 3HG2 VAL 100 -9.588 -6.841 6.017 783 H SER 101 H SER 101 -11.707 -4.834 7.677 784 HA SER 101 HA SER 101 -11.732 -5.423 9.882 785 HB2 SER 101 2HB SER 101 -13.162 -7.987 9.234 786 HB3 SER 101 3HB SER 101 -13.276 -6.989 10.684 787 HG SER 101 HG SER 101 -14.389 -5.439 9.463 788 H THR 102 H THR 102 -11.615 -8.581 8.234 789 HA THR 102 HA THR 102 -9.099 -9.137 9.646 790 HB THR 102 HB THR 102 -9.520 -11.463 9.357 791 HG1 THR 102 HG1 THR 102 -11.419 -10.569 7.468 792 HG21 THR 102 1HG2 THR 102 -11.119 -9.899 10.873 793 HG22 THR 102 2HG2 THR 102 -11.211 -11.660 10.848 794 HG23 THR 102 3HG2 THR 102 -12.325 -10.705 9.871 795 H ALA 103 H ALA 103 -7.235 -9.417 8.575 796 HA ALA 103 HA ALA 103 -6.860 -8.554 5.971 797 HB1 ALA 103 1HB ALA 103 -5.196 -9.173 7.977 798 HB2 ALA 103 2HB ALA 103 -4.961 -10.592 6.955 799 HB3 ALA 103 3HB ALA 103 -4.664 -8.979 6.306 800 H ALA 104 H ALA 104 -7.816 -11.679 7.147 801 HA ALA 104 HA ALA 104 -7.155 -13.201 4.852 802 HB1 ALA 104 1HB ALA 104 -9.489 -14.100 6.380 803 HB2 ALA 104 2HB ALA 104 -7.984 -14.939 6.002 804 HB3 ALA 104 3HB ALA 104 -8.045 -13.803 7.348 805 H ALA 105 H ALA 105 -10.183 -11.659 5.903 806 HA ALA 105 HA ALA 105 -11.741 -12.462 3.706 807 HB1 ALA 105 1HB ALA 105 -12.464 -11.429 5.956 808 HB2 ALA 105 2HB ALA 105 -12.211 -9.881 5.149 809 HB3 ALA 105 3HB ALA 105 -13.385 -11.030 4.506 810 H ALA 106 H ALA 106 -9.654 -9.670 4.222 811 HA ALA 106 HA ALA 106 -10.411 -8.169 1.974 812 HB1 ALA 106 1HB ALA 106 -8.627 -7.851 4.045 813 HB2 ALA 106 2HB ALA 106 -7.583 -7.957 2.627 814 HB3 ALA 106 3HB ALA 106 -8.858 -6.740 2.696 815 H GLU 107 H GLU 107 -7.680 -10.431 2.374 816 HA GLU 107 HA GLU 107 -6.812 -10.299 -0.300 817 HB2 GLU 107 2HB GLU 107 -5.493 -12.269 0.198 818 HB3 GLU 107 3HB GLU 107 -5.433 -11.160 1.562 819 HG2 GLU 107 2HG GLU 107 -6.875 -12.503 2.850 820 HG3 GLU 107 3HG GLU 107 -7.342 -13.472 1.453 821 H ASN 108 H ASN 108 -9.344 -12.098 1.249 822 HA ASN 108 HA ASN 108 -9.673 -14.127 -0.689 823 HB2 ASN 108 2HB ASN 108 -10.882 -13.412 1.744 824 HB3 ASN 108 3HB ASN 108 -12.175 -13.374 0.549 825 HD21 ASN 108 1HD2 ASN 108 -9.387 -15.398 1.406 826 HD22 ASN 108 2HD2 ASN 108 -10.215 -16.906 1.233 827 H MET 109 H MET 109 -11.217 -10.955 -0.278 828 HA MET 109 HA MET 109 -12.905 -11.198 -2.549 829 HB2 MET 109 2HB MET 109 -12.306 -9.196 -0.532 830 HB3 MET 109 3HB MET 109 -12.507 -8.472 -2.123 831 HG2 MET 109 2HG MET 109 -14.681 -8.480 -1.672 832 HG3 MET 109 3HG MET 109 -14.615 -10.210 -1.996 833 HE1 MET 109 1HE MET 109 -15.051 -7.405 0.096 834 HE2 MET 109 2HE MET 109 -16.387 -8.144 0.977 835 HE3 MET 109 3HE MET 109 -14.844 -7.869 1.785 836 H TYR 110 H TYR 110 -9.761 -9.654 -2.006 837 HA TYR 110 HA TYR 110 -9.431 -8.412 -4.461 838 HB2 TYR 110 2HB TYR 110 -7.825 -8.956 -2.212 839 HB3 TYR 110 3HB TYR 110 -6.935 -9.570 -3.601 840 HD1 TYR 110 HD1 TYR 110 -5.282 -8.066 -4.177 841 HD2 TYR 110 HD2 TYR 110 -9.123 -6.575 -3.115 842 HE1 TYR 110 HE1 TYR 110 -4.537 -5.784 -4.711 843 HE2 TYR 110 HE2 TYR 110 -8.388 -4.288 -3.647 844 HH TYR 110 HH TYR 110 -6.769 -3.043 -4.573 845 H SER 111 H SER 111 -8.698 -11.750 -3.532 846 HA SER 111 HA SER 111 -7.729 -12.427 -6.161 847 HB2 SER 111 2HB SER 111 -6.893 -13.496 -4.040 848 HB3 SER 111 3HB SER 111 -8.452 -14.311 -3.906 849 HG SER 111 HG SER 111 -7.505 -15.762 -5.102 850 H GLN 112 H GLN 112 -10.683 -12.893 -4.299 851 HA GLN 112 HA GLN 112 -11.976 -14.678 -6.034 852 HB2 GLN 112 2HB GLN 112 -12.844 -14.343 -3.826 853 HB3 GLN 112 3HB GLN 112 -13.070 -12.623 -4.114 854 HG2 GLN 112 2HG GLN 112 -15.085 -12.941 -4.981 855 HG3 GLN 112 3HG GLN 112 -14.504 -14.220 -6.046 856 HE21 GLN 112 1HE2 GLN 112 -14.451 -16.369 -5.253 857 HE22 GLN 112 2HE2 GLN 112 -15.481 -16.858 -3.956 858 H MET 113 H MET 113 -11.680 -11.182 -6.073 859 HA MET 113 HA MET 113 -13.614 -10.803 -8.158 860 HB2 MET 113 2HB MET 113 -11.559 -9.019 -6.869 861 HB3 MET 113 3HB MET 113 -12.513 -8.484 -8.247 862 HG2 MET 113 2HG MET 113 -14.536 -9.221 -6.795 863 HG3 MET 113 3HG MET 113 -13.387 -9.096 -5.464 864 HE1 MET 113 1HE MET 113 -13.538 -7.349 -4.081 865 HE2 MET 113 2HE MET 113 -12.165 -6.527 -4.820 866 HE3 MET 113 3HE MET 113 -13.637 -5.628 -4.451 867 H GLY 114 H GLY 114 -10.301 -11.679 -8.022 868 HA2 GLY 114 2HA GLY 114 -9.237 -12.614 -9.956 869 HA3 GLY 114 3HA GLY 114 -10.174 -11.515 -10.957 870 H LEU 115 H LEU 115 -8.722 -10.265 -8.087 871 HA LEU 115 HA LEU 115 -6.966 -8.609 -9.717 872 HB2 LEU 115 2HB LEU 115 -7.204 -8.398 -6.746 873 HB3 LEU 115 3HB LEU 115 -6.852 -7.140 -7.927 874 HG LEU 115 HG LEU 115 -9.546 -8.434 -7.515 875 HD11 LEU 115 1HD1 LEU 115 -9.839 -7.021 -5.835 876 HD12 LEU 115 2HD1 LEU 115 -9.575 -5.675 -6.943 877 HD13 LEU 115 3HD1 LEU 115 -8.215 -6.371 -6.061 878 HD21 LEU 115 1HD2 LEU 115 -10.128 -6.250 -8.859 879 HD22 LEU 115 2HD2 LEU 115 -9.651 -7.731 -9.691 880 HD23 LEU 115 3HD2 LEU 115 -8.476 -6.439 -9.447 881 H ASP 116 H ASP 116 -6.788 -10.974 -7.104 882 HA ASP 116 HA ASP 116 -4.041 -10.788 -6.580 883 HB2 ASP 116 2HB ASP 116 -5.650 -11.986 -5.133 884 HB3 ASP 116 3HB ASP 116 -5.808 -13.234 -6.366 885 H THR 117 H THR 117 -5.835 -12.623 -8.989 886 HA THR 117 HA THR 117 -3.523 -12.864 -10.655 887 HB THR 117 HB THR 117 -4.116 -15.539 -10.626 888 HG1 THR 117 HG1 THR 117 -5.321 -15.062 -8.608 889 HG21 THR 117 1HG2 THR 117 -1.890 -15.445 -10.561 890 HG22 THR 117 2HG2 THR 117 -1.996 -15.224 -8.814 891 HG23 THR 117 3HG2 THR 117 -1.935 -13.820 -9.879 892 H ARG 118 H ARG 118 -4.010 -13.823 -12.733 893 HA ARG 118 HA ARG 118 -6.796 -14.411 -13.312 894 HB2 ARG 118 2HB ARG 118 -6.367 -11.874 -13.487 895 HB3 ARG 118 3HB ARG 118 -5.432 -12.268 -14.923 896 HG2 ARG 118 2HG ARG 118 -7.388 -13.262 -15.956 897 HG3 ARG 118 3HG ARG 118 -8.334 -12.948 -14.499 898 HD2 ARG 118 2HD ARG 118 -8.918 -11.043 -15.523 899 HD3 ARG 118 3HD ARG 118 -7.315 -10.479 -15.051 900 HE ARG 118 HE ARG 118 -7.353 -11.862 -17.568 901 HH11 ARG 118 1HH1 ARG 118 -7.801 -8.795 -15.983 902 HH12 ARG 118 2HH1 ARG 118 -7.451 -7.863 -17.401 903 HH21 ARG 118 1HH2 ARG 118 -6.891 -10.647 -19.443 904 HH22 ARG 118 2HH2 ARG 118 -6.935 -8.919 -19.369 905 HA PRO 119 HA PRO 119 -3.616 -16.819 -15.735 906 HB2 PRO 119 2HB PRO 119 -4.587 -19.264 -15.061 907 HB3 PRO 119 3HB PRO 119 -3.393 -18.401 -14.083 908 HG2 PRO 119 2HG PRO 119 -6.355 -18.613 -13.704 909 HG3 PRO 119 3HG PRO 119 -5.062 -18.722 -12.496 910 HD2 PRO 119 2HD PRO 119 -6.524 -16.473 -12.867 911 HD3 PRO 119 3HD PRO 119 -4.822 -16.434 -12.363 912 H21 MYR 201 1H2 MYR 1 8.477 10.840 2.696 913 H22 MYR 201 2H2 MYR 1 7.301 10.014 1.694 914 H31 MYR 201 1H3 MYR 1 8.072 9.331 4.622 915 H32 MYR 201 2H3 MYR 1 8.411 8.362 3.186 916 H41 MYR 201 1H4 MYR 1 5.528 9.030 4.077 917 H42 MYR 201 2H4 MYR 1 6.393 7.614 4.680 918 H51 MYR 201 1H5 MYR 1 5.771 6.452 2.808 919 H52 MYR 201 2H5 MYR 1 6.744 7.542 1.819 920 H61 MYR 201 1H6 MYR 1 4.814 8.284 0.836 921 H62 MYR 201 2H6 MYR 1 4.384 9.060 2.363 922 H71 MYR 201 1H7 MYR 1 2.697 7.553 2.762 923 H72 MYR 201 2H7 MYR 1 3.777 6.175 2.534 924 H81 MYR 201 1H8 MYR 1 3.363 7.246 -0.113 925 H82 MYR 201 2H8 MYR 1 1.779 7.319 0.664 926 H91 MYR 201 1H9 MYR 1 2.973 4.744 1.355 927 H92 MYR 201 2H9 MYR 1 3.194 4.974 -0.378 928 H101 MYR 201 1H10 MYR 1 0.878 5.038 -0.836 929 H102 MYR 201 2H10 MYR 1 0.434 5.640 0.753 930 H111 MYR 201 1H11 MYR 1 -0.252 3.210 0.252 931 H112 MYR 201 2H11 MYR 1 0.615 3.458 1.760 932 H121 MYR 201 1H12 MYR 1 2.359 2.102 1.154 933 H122 MYR 201 2H12 MYR 1 2.536 2.869 -0.424 934 H131 MYR 201 1H13 MYR 1 1.148 1.321 -1.514 935 H132 MYR 201 2H13 MYR 1 0.082 1.113 -0.123 936 H141 MYR 201 1H14 MYR 1 2.946 0.074 0.189 937 H142 MYR 201 2H14 MYR 1 1.427 -0.585 0.840 938 H143 MYR 201 3H14 MYR 1 1.844 -0.845 -0.869 Start of MODEL 8 1 H GLY 2 H GLY 2 8.063 11.927 8.359 2 HA2 GLY 2 2HA GLY 2 9.508 13.739 8.860 3 HA3 GLY 2 3HA GLY 2 9.772 13.971 7.138 4 H ASN 3 H ASN 3 9.150 16.003 6.742 5 HA ASN 3 HA ASN 3 6.787 17.100 8.024 6 HB2 ASN 3 2HB ASN 3 8.918 18.249 6.232 7 HB3 ASN 3 3HB ASN 3 7.457 19.154 6.620 8 HD21 ASN 3 1HD2 ASN 3 10.531 19.009 7.379 9 HD22 ASN 3 2HD2 ASN 3 10.489 19.404 9.061 10 H GLY 4 H GLY 4 5.085 15.945 7.109 11 HA2 GLY 4 2HA GLY 4 4.225 16.925 4.530 12 HA3 GLY 4 3HA GLY 4 4.590 15.206 4.550 13 H GLN 5 H GLN 5 2.065 16.097 3.923 14 HA GLN 5 HA GLN 5 0.529 15.215 6.275 15 HB2 GLN 5 2HB GLN 5 0.391 17.738 5.286 16 HB3 GLN 5 3HB GLN 5 -0.867 16.953 4.338 17 HG2 GLN 5 2HG GLN 5 -1.989 16.242 6.363 18 HG3 GLN 5 3HG GLN 5 -0.704 16.944 7.344 19 HE21 GLN 5 1HE2 GLN 5 -3.703 17.451 5.996 20 HE22 GLN 5 2HE2 GLN 5 -3.792 19.167 6.170 21 H GLY 6 H GLY 6 -0.935 13.628 5.943 22 HA2 GLY 6 2HA GLY 6 -1.848 13.014 3.247 23 HA3 GLY 6 3HA GLY 6 -0.847 11.789 4.012 24 H ARG 7 H ARG 7 -3.974 12.897 3.568 25 HA ARG 7 HA ARG 7 -5.162 12.114 6.022 26 HB2 ARG 7 2HB ARG 7 -6.111 13.609 4.126 27 HB3 ARG 7 3HB ARG 7 -6.612 12.092 3.393 28 HG2 ARG 7 2HG ARG 7 -8.258 11.750 4.895 29 HG3 ARG 7 3HG ARG 7 -7.339 12.459 6.225 30 HD2 ARG 7 2HD ARG 7 -7.721 14.687 4.917 31 HD3 ARG 7 3HD ARG 7 -9.043 13.795 4.166 32 HE ARG 7 HE ARG 7 -9.296 13.452 6.904 33 HH11 ARG 7 1HH1 ARG 7 -9.370 16.073 4.614 34 HH12 ARG 7 2HH1 ARG 7 -10.459 17.037 5.556 35 HH21 ARG 7 1HH2 ARG 7 -10.730 14.711 8.152 36 HH22 ARG 7 2HH2 ARG 7 -11.231 16.262 7.569 37 H ASP 8 H ASP 8 -5.285 10.541 2.820 38 HA ASP 8 HA ASP 8 -6.431 8.149 3.680 39 HB2 ASP 8 2HB ASP 8 -5.874 9.122 1.267 40 HB3 ASP 8 3HB ASP 8 -4.470 8.072 1.436 41 H TRP 9 H TRP 9 -3.203 9.317 3.980 42 HA TRP 9 HA TRP 9 -1.902 6.805 4.291 43 HB2 TRP 9 2HB TRP 9 -0.548 8.683 3.712 44 HB3 TRP 9 3HB TRP 9 -1.140 9.616 5.083 45 HD1 TRP 9 HD1 TRP 9 0.506 9.726 7.029 46 HE1 TRP 9 HE1 TRP 9 2.440 8.269 7.903 47 HE3 TRP 9 HE3 TRP 9 0.190 5.866 3.692 48 HZ2 TRP 9 HZ2 TRP 9 3.669 5.811 7.264 49 HZ3 TRP 9 HZ3 TRP 9 1.782 4.000 3.892 50 HH2 TRP 9 HH2 TRP 9 3.485 3.976 5.642 51 H LYS 10 H LYS 10 -2.602 9.319 6.728 52 HA LYS 10 HA LYS 10 -2.152 7.588 8.926 53 HB2 LYS 10 2HB LYS 10 -2.067 10.145 8.884 54 HB3 LYS 10 3HB LYS 10 -3.821 10.097 9.008 55 HG2 LYS 10 2HG LYS 10 -3.466 8.662 11.084 56 HG3 LYS 10 3HG LYS 10 -1.780 9.179 11.005 57 HD2 LYS 10 2HD LYS 10 -2.437 10.942 12.216 58 HD3 LYS 10 3HD LYS 10 -3.156 11.541 10.721 59 HE2 LYS 10 2HE LYS 10 -5.212 10.154 11.397 60 HE3 LYS 10 3HE LYS 10 -4.473 10.096 12.998 61 HZ1 LYS 10 1HZ LYS 10 -4.898 12.262 13.372 62 HZ2 LYS 10 2HZ LYS 10 -6.123 12.020 12.231 63 HZ3 LYS 10 3HZ LYS 10 -4.656 12.722 11.762 64 H MET 11 H MET 11 -4.876 8.169 6.897 65 HA MET 11 HA MET 11 -6.855 7.212 8.744 66 HB2 MET 11 2HB MET 11 -6.863 7.848 5.805 67 HB3 MET 11 3HB MET 11 -8.248 7.085 6.575 68 HG2 MET 11 2HG MET 11 -7.355 9.388 8.065 69 HG3 MET 11 3HG MET 11 -7.716 9.800 6.390 70 HE1 MET 11 1HE MET 11 -10.511 8.354 9.662 71 HE2 MET 11 2HE MET 11 -8.748 8.308 9.618 72 HE3 MET 11 3HE MET 11 -9.587 9.849 9.816 73 H ALA 12 H ALA 12 -5.391 5.883 5.778 74 HA ALA 12 HA ALA 12 -6.615 3.385 5.841 75 HB1 ALA 12 1HB ALA 12 -4.740 2.623 4.433 76 HB2 ALA 12 2HB ALA 12 -5.410 4.164 3.896 77 HB3 ALA 12 3HB ALA 12 -3.889 4.127 4.787 78 H ILE 13 H ILE 13 -3.578 4.455 7.328 79 HA ILE 13 HA ILE 13 -2.838 1.928 8.359 80 HB ILE 13 HB ILE 13 -2.081 4.692 9.313 81 HG12 ILE 13 2HG1 ILE 13 -1.452 4.141 6.968 82 HG13 ILE 13 3HG1 ILE 13 -0.059 4.379 8.016 83 HG21 ILE 13 1HG2 ILE 13 -0.173 3.568 10.398 84 HG22 ILE 13 2HG2 ILE 13 -1.725 3.080 11.079 85 HG23 ILE 13 3HG2 ILE 13 -0.874 2.007 9.967 86 HD11 ILE 13 1HD1 ILE 13 0.271 2.497 6.525 87 HD12 ILE 13 2HD1 ILE 13 0.206 1.960 8.204 88 HD13 ILE 13 3HD1 ILE 13 -1.188 1.728 7.150 89 H LYS 14 H LYS 14 -4.207 4.767 10.034 90 HA LYS 14 HA LYS 14 -4.635 3.526 12.496 91 HB2 LYS 14 2HB LYS 14 -4.750 5.997 11.993 92 HB3 LYS 14 3HB LYS 14 -6.351 5.716 11.322 93 HG2 LYS 14 2HG LYS 14 -7.182 4.991 13.452 94 HG3 LYS 14 3HG LYS 14 -5.563 5.065 14.152 95 HD2 LYS 14 2HD LYS 14 -6.447 7.063 14.872 96 HD3 LYS 14 3HD LYS 14 -5.668 7.562 13.368 97 HE2 LYS 14 2HE LYS 14 -7.614 8.191 12.492 98 HE3 LYS 14 3HE LYS 14 -8.349 6.634 12.869 99 HZ1 LYS 14 1HZ LYS 14 -8.267 7.803 15.281 100 HZ2 LYS 14 2HZ LYS 14 -9.605 7.846 14.247 101 HZ3 LYS 14 3HZ LYS 14 -8.524 9.146 14.284 102 H ARG 15 H ARG 15 -6.365 3.264 9.529 103 HA ARG 15 HA ARG 15 -8.784 2.241 10.739 104 HB2 ARG 15 2HB ARG 15 -8.942 3.518 8.672 105 HB3 ARG 15 3HB ARG 15 -7.893 2.368 7.854 106 HG2 ARG 15 2HG ARG 15 -9.530 0.751 7.735 107 HG3 ARG 15 3HG ARG 15 -10.437 1.423 9.092 108 HD2 ARG 15 2HD ARG 15 -10.177 2.644 6.346 109 HD3 ARG 15 3HD ARG 15 -11.594 1.808 6.979 110 HE ARG 15 HE ARG 15 -11.187 3.785 8.779 111 HH11 ARG 15 1HH1 ARG 15 -11.486 3.728 5.310 112 HH12 ARG 15 2HH1 ARG 15 -12.176 5.314 5.213 113 HH21 ARG 15 1HH2 ARG 15 -12.093 5.874 8.663 114 HH22 ARG 15 2HH2 ARG 15 -12.520 6.535 7.121 115 H CYS 16 H CYS 16 -6.417 0.870 8.443 116 HA CYS 16 HA CYS 16 -7.274 -1.786 8.723 117 HB2 CYS 16 2HB CYS 16 -5.314 -2.404 7.517 118 HB3 CYS 16 3HB CYS 16 -5.819 -0.842 6.883 119 HG CYS 16 HG CYS 16 -2.972 -1.090 7.084 120 H SER 17 H SER 17 -5.440 0.199 10.804 121 HA SER 17 HA SER 17 -3.756 -1.600 12.083 122 HB2 SER 17 2HB SER 17 -4.968 1.001 12.734 123 HB3 SER 17 3HB SER 17 -4.547 0.024 14.141 124 HG SER 17 HG SER 17 -2.900 1.506 13.009 125 H ASN 18 H ASN 18 -7.198 -1.295 12.224 126 HA ASN 18 HA ASN 18 -7.367 -3.043 14.564 127 HB2 ASN 18 2HB ASN 18 -8.902 -0.884 13.735 128 HB3 ASN 18 3HB ASN 18 -9.903 -2.279 13.340 129 HD21 ASN 18 1HD2 ASN 18 -9.857 -3.984 15.181 130 HD22 ASN 18 2HD2 ASN 18 -10.141 -3.350 16.762 131 H VAL 19 H VAL 19 -6.413 -3.981 11.947 132 HA VAL 19 HA VAL 19 -8.558 -5.861 11.225 133 HB VAL 19 HB VAL 19 -6.074 -5.085 9.691 134 HG11 VAL 19 1HG1 VAL 19 -7.912 -7.342 9.430 135 HG12 VAL 19 2HG1 VAL 19 -7.704 -6.413 7.944 136 HG13 VAL 19 3HG1 VAL 19 -6.300 -7.106 8.755 137 HG21 VAL 19 1HG2 VAL 19 -8.870 -4.655 8.743 138 HG22 VAL 19 2HG2 VAL 19 -8.168 -3.527 9.903 139 HG23 VAL 19 3HG2 VAL 19 -7.397 -3.774 8.336 140 H ALA 20 H ALA 20 -8.394 -7.903 11.861 141 HA ALA 20 HA ALA 20 -6.036 -8.831 13.223 142 HB1 ALA 20 1HB ALA 20 -7.342 -10.477 14.071 143 HB2 ALA 20 2HB ALA 20 -8.626 -9.373 13.578 144 HB3 ALA 20 3HB ALA 20 -8.194 -10.737 12.549 145 H VAL 21 H VAL 21 -4.351 -9.766 12.290 146 HA VAL 21 HA VAL 21 -4.151 -10.325 9.561 147 HB VAL 21 HB VAL 21 -2.470 -11.610 11.712 148 HG11 VAL 21 1HG1 VAL 21 -2.079 -11.047 8.790 149 HG12 VAL 21 2HG1 VAL 21 -0.718 -11.333 9.876 150 HG13 VAL 21 3HG1 VAL 21 -1.941 -12.582 9.646 151 HG21 VAL 21 1HG2 VAL 21 -2.237 -9.410 12.319 152 HG22 VAL 21 2HG2 VAL 21 -0.976 -9.537 11.093 153 HG23 VAL 21 3HG2 VAL 21 -2.532 -8.813 10.686 154 H GLY 22 H GLY 22 -5.347 -12.249 12.186 155 HA2 GLY 22 2HA GLY 22 -5.834 -14.444 10.279 156 HA3 GLY 22 3HA GLY 22 -5.203 -14.783 11.883 157 H VAL 23 H VAL 23 -7.942 -14.740 10.072 158 HA VAL 23 HA VAL 23 -9.833 -13.724 11.951 159 HB VAL 23 HB VAL 23 -10.354 -13.833 9.562 160 HG11 VAL 23 1HG1 VAL 23 -9.205 -16.290 9.591 161 HG12 VAL 23 2HG1 VAL 23 -10.917 -16.715 9.560 162 HG13 VAL 23 3HG1 VAL 23 -10.240 -15.687 8.296 163 HG21 VAL 23 1HG2 VAL 23 -12.608 -14.882 9.757 164 HG22 VAL 23 2HG2 VAL 23 -12.129 -15.503 11.337 165 HG23 VAL 23 3HG2 VAL 23 -12.221 -13.763 11.064 166 H GLY 24 H GLY 24 -8.425 -16.872 11.307 167 HA2 GLY 24 2HA GLY 24 -9.810 -17.888 13.705 168 HA3 GLY 24 3HA GLY 24 -9.742 -18.853 12.238 169 H GLY 25 H GLY 25 -8.190 -18.062 15.141 170 HA2 GLY 25 2HA GLY 25 -6.454 -20.054 15.388 171 HA3 GLY 25 3HA GLY 25 -5.575 -19.021 14.270 172 H LYS 26 H LYS 26 -5.380 -16.682 15.011 173 HA LYS 26 HA LYS 26 -5.049 -16.547 17.931 174 HB2 LYS 26 2HB LYS 26 -3.088 -15.535 15.864 175 HB3 LYS 26 3HB LYS 26 -2.945 -15.308 17.602 176 HG2 LYS 26 2HG LYS 26 -1.844 -17.219 17.743 177 HG3 LYS 26 3HG LYS 26 -3.271 -18.074 17.156 178 HD2 LYS 26 2HD LYS 26 -2.500 -18.160 14.996 179 HD3 LYS 26 3HD LYS 26 -1.514 -16.707 15.176 180 HE2 LYS 26 2HE LYS 26 -0.589 -18.753 16.963 181 HE3 LYS 26 3HE LYS 26 -0.684 -19.390 15.322 182 HZ1 LYS 26 1HZ LYS 26 0.447 -16.833 15.208 183 HZ2 LYS 26 2HZ LYS 26 1.172 -18.316 14.838 184 HZ3 LYS 26 3HZ LYS 26 1.261 -17.702 16.412 185 H SER 27 H SER 27 -5.250 -14.477 18.862 186 HA SER 27 HA SER 27 -6.800 -12.617 17.213 187 HB2 SER 27 2HB SER 27 -7.015 -13.534 19.919 188 HB3 SER 27 3HB SER 27 -6.783 -11.786 19.927 189 HG SER 27 HG SER 27 -8.999 -12.421 19.749 190 H LYS 28 H LYS 28 -5.280 -11.412 16.154 191 HA LYS 28 HA LYS 28 -3.982 -9.353 17.664 192 HB2 LYS 28 2HB LYS 28 -2.429 -11.658 16.619 193 HB3 LYS 28 3HB LYS 28 -1.736 -10.061 16.373 194 HG2 LYS 28 2HG LYS 28 -0.899 -10.207 18.417 195 HG3 LYS 28 3HG LYS 28 -2.548 -10.072 19.032 196 HD2 LYS 28 2HD LYS 28 -2.103 -12.058 19.992 197 HD3 LYS 28 3HD LYS 28 -2.447 -12.707 18.386 198 HE2 LYS 28 2HE LYS 28 -0.252 -13.119 17.934 199 HE3 LYS 28 3HE LYS 28 0.317 -11.774 18.922 200 HZ1 LYS 28 1HZ LYS 28 -0.424 -13.163 20.886 201 HZ2 LYS 28 2HZ LYS 28 0.954 -13.695 20.062 202 HZ3 LYS 28 3HZ LYS 28 -0.531 -14.464 19.810 203 H LYS 29 H LYS 29 -3.825 -7.547 16.470 204 HA LYS 29 HA LYS 29 -4.390 -7.779 13.596 205 HB2 LYS 29 2HB LYS 29 -4.986 -5.327 13.810 206 HB3 LYS 29 3HB LYS 29 -6.042 -6.448 14.660 207 HG2 LYS 29 2HG LYS 29 -3.777 -5.324 16.192 208 HG3 LYS 29 3HG LYS 29 -5.093 -4.225 15.773 209 HD2 LYS 29 2HD LYS 29 -6.552 -5.238 17.168 210 HD3 LYS 29 3HD LYS 29 -5.916 -6.849 16.831 211 HE2 LYS 29 2HE LYS 29 -3.843 -5.949 18.176 212 HE3 LYS 29 3HE LYS 29 -5.034 -4.832 18.841 213 HZ1 LYS 29 1HZ LYS 29 -5.349 -6.501 20.291 214 HZ2 LYS 29 2HZ LYS 29 -4.741 -7.689 19.253 215 HZ3 LYS 29 3HZ LYS 29 -6.332 -7.143 19.074 216 H PHE 30 H PHE 30 -3.322 -6.250 12.146 217 HA PHE 30 HA PHE 30 -0.523 -5.879 12.927 218 HB2 PHE 30 2HB PHE 30 0.021 -5.893 10.618 219 HB3 PHE 30 3HB PHE 30 -1.176 -7.166 10.831 220 HD1 PHE 30 HD1 PHE 30 -0.528 -3.845 9.444 221 HD2 PHE 30 HD2 PHE 30 -3.385 -6.967 9.891 222 HE1 PHE 30 HE1 PHE 30 -1.919 -2.817 7.694 223 HE2 PHE 30 HE2 PHE 30 -4.780 -5.946 8.141 224 HZ PHE 30 HZ PHE 30 -4.048 -3.869 7.039 225 H GLY 31 H GLY 31 0.488 -3.918 12.907 226 HA2 GLY 31 2HA GLY 31 -1.266 -1.580 12.490 227 HA3 GLY 31 3HA GLY 31 0.070 -1.632 13.631 228 H GLU 32 H GLU 32 0.565 0.426 12.456 229 HA GLU 32 HA GLU 32 1.338 0.565 9.798 230 HB2 GLU 32 2HB GLU 32 2.447 2.582 10.336 231 HB3 GLU 32 3HB GLU 32 1.102 2.468 11.463 232 HG2 GLU 32 2HG GLU 32 2.707 1.528 13.138 233 HG3 GLU 32 3HG GLU 32 4.005 1.921 12.014 234 H GLY 33 H GLY 33 3.062 -0.689 12.574 235 HA2 GLY 33 2HA GLY 33 5.648 -0.780 11.453 236 HA3 GLY 33 3HA GLY 33 5.067 -1.791 12.768 237 H ASN 34 H ASN 34 3.230 -3.388 11.747 238 HA ASN 34 HA ASN 34 4.680 -5.306 10.316 239 HB2 ASN 34 2HB ASN 34 1.778 -4.954 10.979 240 HB3 ASN 34 3HB ASN 34 2.268 -6.236 9.877 241 HD21 ASN 34 1HD2 ASN 34 1.204 -7.401 11.759 242 HD22 ASN 34 2HD2 ASN 34 2.260 -7.939 13.016 243 H PHE 35 H PHE 35 2.373 -2.862 9.239 244 HA PHE 35 HA PHE 35 2.029 -3.685 6.604 245 HB2 PHE 35 2HB PHE 35 0.641 -1.942 7.486 246 HB3 PHE 35 3HB PHE 35 2.035 -0.918 7.816 247 HD1 PHE 35 HD1 PHE 35 1.012 -2.837 4.788 248 HD2 PHE 35 HD2 PHE 35 1.886 0.960 6.501 249 HE1 PHE 35 HE1 PHE 35 0.756 -1.785 2.578 250 HE2 PHE 35 HE2 PHE 35 1.631 2.018 4.293 251 HZ PHE 35 HZ PHE 35 1.064 0.646 2.329 252 H ARG 36 H ARG 36 4.471 -1.489 7.965 253 HA ARG 36 HA ARG 36 5.784 -0.923 5.545 254 HB2 ARG 36 2HB ARG 36 6.949 -0.964 8.335 255 HB3 ARG 36 3HB ARG 36 7.638 -0.148 6.938 256 HG2 ARG 36 2HG ARG 36 6.157 1.568 7.032 257 HG3 ARG 36 3HG ARG 36 4.867 0.565 7.696 258 HD2 ARG 36 2HD ARG 36 5.522 2.060 9.415 259 HD3 ARG 36 3HD ARG 36 6.181 0.480 9.839 260 HE ARG 36 HE ARG 36 8.114 1.907 8.395 261 HH11 ARG 36 1HH1 ARG 36 6.494 1.974 11.476 262 HH12 ARG 36 2HH1 ARG 36 7.818 2.729 12.302 263 HH21 ARG 36 1HH2 ARG 36 9.863 2.901 9.471 264 HH22 ARG 36 2HH2 ARG 36 9.732 3.257 11.161 265 H TRP 37 H TRP 37 6.240 -3.479 7.933 266 HA TRP 37 HA TRP 37 8.627 -4.547 6.913 267 HB2 TRP 37 2HB TRP 37 7.906 -5.216 9.093 268 HB3 TRP 37 3HB TRP 37 6.370 -5.811 8.469 269 HD1 TRP 37 HD1 TRP 37 9.931 -6.862 9.094 270 HE1 TRP 37 HE1 TRP 37 10.224 -9.336 8.446 271 HE3 TRP 37 HE3 TRP 37 5.473 -7.608 6.705 272 HZ2 TRP 37 HZ2 TRP 37 8.759 -11.339 7.098 273 HZ3 TRP 37 HZ3 TRP 37 4.996 -9.832 5.764 274 HH2 TRP 37 HH2 TRP 37 6.607 -11.656 5.958 275 H ALA 38 H ALA 38 5.288 -4.963 5.959 276 HA ALA 38 HA ALA 38 5.737 -7.224 4.273 277 HB1 ALA 38 1HB ALA 38 3.537 -6.844 5.158 278 HB2 ALA 38 2HB ALA 38 3.458 -5.255 4.396 279 HB3 ALA 38 3HB ALA 38 3.470 -6.711 3.399 280 H ILE 39 H ILE 39 5.085 -3.788 3.561 281 HA ILE 39 HA ILE 39 5.526 -3.988 0.789 282 HB ILE 39 HB ILE 39 5.804 -1.518 0.848 283 HG12 ILE 39 2HG1 ILE 39 5.515 -1.914 3.834 284 HG13 ILE 39 3HG1 ILE 39 6.950 -1.325 3.000 285 HG21 ILE 39 1HG2 ILE 39 3.589 -1.461 0.747 286 HG22 ILE 39 2HG2 ILE 39 3.540 -3.063 1.484 287 HG23 ILE 39 3HG2 ILE 39 3.475 -1.622 2.501 288 HD11 ILE 39 1HD1 ILE 39 5.113 0.449 2.135 289 HD12 ILE 39 2HD1 ILE 39 4.483 0.076 3.741 290 HD13 ILE 39 3HD1 ILE 39 6.129 0.681 3.557 291 H ARG 40 H ARG 40 7.692 -3.388 3.487 292 HA ARG 40 HA ARG 40 9.930 -2.530 2.005 293 HB2 ARG 40 2HB ARG 40 9.844 -2.169 4.387 294 HB3 ARG 40 3HB ARG 40 9.734 -3.898 4.689 295 HG2 ARG 40 2HG ARG 40 11.985 -4.231 3.912 296 HG3 ARG 40 3HG ARG 40 12.105 -2.537 3.434 297 HD2 ARG 40 2HD ARG 40 11.315 -2.904 6.218 298 HD3 ARG 40 3HD ARG 40 12.896 -3.589 5.844 299 HE ARG 40 HE ARG 40 12.206 -0.811 5.979 300 HH11 ARG 40 1HH1 ARG 40 14.362 -3.134 4.541 301 HH12 ARG 40 2HH1 ARG 40 15.627 -1.983 4.262 302 HH21 ARG 40 1HH2 ARG 40 13.862 0.714 5.618 303 HH22 ARG 40 2HH2 ARG 40 15.341 0.205 4.876 304 H MET 41 H MET 41 9.213 -5.738 3.395 305 HA MET 41 HA MET 41 11.387 -7.037 2.145 306 HB2 MET 41 2HB MET 41 9.758 -7.749 4.125 307 HB3 MET 41 3HB MET 41 8.924 -8.572 2.814 308 HG2 MET 41 2HG MET 41 10.489 -10.155 2.649 309 HG3 MET 41 3HG MET 41 11.811 -9.003 2.831 310 HE1 MET 41 1HE MET 41 10.733 -11.889 3.698 311 HE2 MET 41 2HE MET 41 11.739 -12.177 5.117 312 HE3 MET 41 3HE MET 41 9.998 -11.956 5.301 313 H ALA 42 H ALA 42 7.953 -6.787 1.286 314 HA ALA 42 HA ALA 42 7.999 -8.439 -0.971 315 HB1 ALA 42 1HB ALA 42 5.927 -7.699 0.060 316 HB2 ALA 42 2HB ALA 42 6.256 -6.037 -0.431 317 HB3 ALA 42 3HB ALA 42 5.952 -7.274 -1.651 318 H ASN 43 H ASN 43 8.799 -5.031 -0.581 319 HA ASN 43 HA ASN 43 8.973 -4.378 -3.319 320 HB2 ASN 43 2HB ASN 43 9.951 -3.169 -0.775 321 HB3 ASN 43 3HB ASN 43 10.672 -2.608 -2.281 322 HD21 ASN 43 1HD2 ASN 43 9.647 -0.589 -1.456 323 HD22 ASN 43 2HD2 ASN 43 8.018 -0.273 -1.934 324 H VAL 44 H VAL 44 11.559 -5.127 -0.978 325 HA VAL 44 HA VAL 44 13.691 -5.121 -2.764 326 HB VAL 44 HB VAL 44 13.398 -6.882 -0.327 327 HG11 VAL 44 1HG1 VAL 44 15.989 -6.364 -0.394 328 HG12 VAL 44 2HG1 VAL 44 15.293 -7.708 -1.301 329 HG13 VAL 44 3HG1 VAL 44 15.667 -6.190 -2.118 330 HG21 VAL 44 1HG2 VAL 44 13.648 -4.016 -0.610 331 HG22 VAL 44 2HG2 VAL 44 13.349 -4.981 0.835 332 HG23 VAL 44 3HG2 VAL 44 15.003 -4.697 0.292 333 H SER 45 H SER 45 11.593 -7.810 -1.778 334 HA SER 45 HA SER 45 12.902 -9.806 -3.272 335 HB2 SER 45 2HB SER 45 10.953 -9.868 -1.425 336 HB3 SER 45 3HB SER 45 9.966 -10.040 -2.876 337 HG SER 45 HG SER 45 10.571 -12.040 -2.898 338 H THR 46 H THR 46 10.635 -7.342 -4.154 339 HA THR 46 HA THR 46 10.121 -8.577 -6.753 340 HB THR 46 HB THR 46 8.578 -6.637 -7.101 341 HG1 THR 46 HG1 THR 46 9.531 -5.155 -5.661 342 HG21 THR 46 1HG2 THR 46 7.205 -8.266 -6.392 343 HG22 THR 46 2HG2 THR 46 7.205 -7.408 -4.851 344 HG23 THR 46 3HG2 THR 46 8.308 -8.760 -5.109 345 H GLY 47 H GLY 47 12.755 -7.420 -5.913 346 HA2 GLY 47 2HA GLY 47 14.449 -6.216 -6.887 347 HA3 GLY 47 3HA GLY 47 13.487 -6.256 -8.357 348 H ARG 48 H ARG 48 12.839 -4.729 -5.214 349 HA ARG 48 HA ARG 48 13.036 -2.098 -6.481 350 HB2 ARG 48 2HB ARG 48 10.592 -3.308 -5.255 351 HB3 ARG 48 3HB ARG 48 10.866 -1.580 -5.075 352 HG2 ARG 48 2HG ARG 48 10.657 -1.177 -7.346 353 HG3 ARG 48 3HG ARG 48 10.994 -2.855 -7.774 354 HD2 ARG 48 2HD ARG 48 8.856 -3.531 -7.379 355 HD3 ARG 48 3HD ARG 48 8.597 -2.331 -6.114 356 HE ARG 48 HE ARG 48 8.792 -0.887 -8.434 357 HH11 ARG 48 1HH1 ARG 48 6.779 -3.481 -7.275 358 HH12 ARG 48 2HH1 ARG 48 5.403 -3.009 -8.217 359 HH21 ARG 48 1HH2 ARG 48 6.988 -0.256 -9.679 360 HH22 ARG 48 2HH2 ARG 48 5.524 -1.175 -9.585 361 H GLU 49 H GLU 49 14.155 -0.738 -5.252 362 HA GLU 49 HA GLU 49 15.338 -1.398 -2.848 363 HB2 GLU 49 2HB GLU 49 14.880 1.128 -4.330 364 HB3 GLU 49 3HB GLU 49 15.309 1.286 -2.633 365 HG2 GLU 49 2HG GLU 49 17.179 -0.466 -3.379 366 HG3 GLU 49 3HG GLU 49 16.921 0.348 -4.921 367 HA PRO 50 HA PRO 50 12.411 -0.844 0.371 368 HB2 PRO 50 2HB PRO 50 13.890 0.346 2.313 369 HB3 PRO 50 3HB PRO 50 14.089 -1.350 1.857 370 HG2 PRO 50 2HG PRO 50 15.709 1.033 1.043 371 HG3 PRO 50 3HG PRO 50 16.259 -0.584 1.523 372 HD2 PRO 50 2HD PRO 50 16.106 0.194 -1.067 373 HD3 PRO 50 3HD PRO 50 15.831 -1.484 -0.556 374 H GLY 51 H GLY 51 13.989 1.914 -0.975 375 HA2 GLY 51 2HA GLY 51 12.366 3.829 0.494 376 HA3 GLY 51 3HA GLY 51 13.572 4.202 -0.729 377 H ASP 52 H ASP 52 10.648 2.172 -0.788 378 HA ASP 52 HA ASP 52 9.566 3.923 -2.886 379 HB2 ASP 52 2HB ASP 52 10.513 1.264 -3.254 380 HB3 ASP 52 3HB ASP 52 8.759 1.235 -3.410 381 H ILE 53 H ILE 53 7.804 4.775 -1.989 382 HA ILE 53 HA ILE 53 5.972 2.972 -0.544 383 HB ILE 53 HB ILE 53 5.158 5.202 0.517 384 HG12 ILE 53 2HG1 ILE 53 8.004 5.938 -0.204 385 HG13 ILE 53 3HG1 ILE 53 6.568 6.634 -0.948 386 HG21 ILE 53 1HG2 ILE 53 6.181 4.504 2.390 387 HG22 ILE 53 2HG2 ILE 53 6.745 3.176 1.375 388 HG23 ILE 53 3HG2 ILE 53 7.786 4.571 1.659 389 HD11 ILE 53 1HD1 ILE 53 6.191 8.004 0.780 390 HD12 ILE 53 2HD1 ILE 53 6.639 6.790 1.978 391 HD13 ILE 53 3HD1 ILE 53 7.891 7.710 1.144 392 HA PRO 54 HA PRO 54 3.867 4.722 -4.334 393 HB2 PRO 54 2HB PRO 54 2.998 2.327 -5.272 394 HB3 PRO 54 3HB PRO 54 4.581 3.001 -5.678 395 HG2 PRO 54 2HG PRO 54 3.870 0.934 -3.633 396 HG3 PRO 54 3HG PRO 54 5.229 0.960 -4.772 397 HD2 PRO 54 2HD PRO 54 5.498 1.648 -2.167 398 HD3 PRO 54 3HD PRO 54 6.468 2.390 -3.456 399 H GLU 55 H GLU 55 1.678 5.073 -4.534 400 HA GLU 55 HA GLU 55 -0.109 3.608 -2.721 401 HB2 GLU 55 2HB GLU 55 0.462 6.518 -2.767 402 HB3 GLU 55 3HB GLU 55 -1.224 6.053 -2.588 403 HG2 GLU 55 2HG GLU 55 0.964 4.974 -0.837 404 HG3 GLU 55 3HG GLU 55 0.055 6.436 -0.458 405 H THR 56 H THR 56 -0.505 2.560 -4.856 406 HA THR 56 HA THR 56 -2.756 3.880 -6.157 407 HB THR 56 HB THR 56 -1.975 3.556 -8.389 408 HG1 THR 56 HG1 THR 56 -0.122 2.448 -8.868 409 HG21 THR 56 1HG2 THR 56 -1.139 5.569 -7.155 410 HG22 THR 56 2HG2 THR 56 -0.122 5.072 -8.507 411 HG23 THR 56 3HG2 THR 56 0.360 4.693 -6.854 412 H LEU 57 H LEU 57 -4.362 2.497 -6.634 413 HA LEU 57 HA LEU 57 -4.454 -0.078 -5.643 414 HB2 LEU 57 2HB LEU 57 -6.337 1.468 -6.485 415 HB3 LEU 57 3HB LEU 57 -6.035 0.731 -8.057 416 HG LEU 57 HG LEU 57 -6.484 -1.502 -6.953 417 HD11 LEU 57 1HD1 LEU 57 -7.736 -1.501 -4.884 418 HD12 LEU 57 2HD1 LEU 57 -7.614 0.255 -4.780 419 HD13 LEU 57 3HD1 LEU 57 -6.165 -0.739 -4.637 420 HD21 LEU 57 1HD2 LEU 57 -8.394 0.627 -7.619 421 HD22 LEU 57 2HD2 LEU 57 -9.059 -0.708 -6.677 422 HD23 LEU 57 3HD2 LEU 57 -8.274 -1.025 -8.225 423 H ASP 58 H ASP 58 -3.317 1.057 -8.745 424 HA ASP 58 HA ASP 58 -3.232 -1.489 -10.017 425 HB2 ASP 58 2HB ASP 58 -1.994 1.188 -10.596 426 HB3 ASP 58 3HB ASP 58 -1.552 -0.231 -11.543 427 H GLN 59 H GLN 59 -0.977 0.367 -8.068 428 HA GLN 59 HA GLN 59 1.283 -1.294 -8.573 429 HB2 GLN 59 2HB GLN 59 1.865 0.833 -7.833 430 HB3 GLN 59 3HB GLN 59 0.630 0.844 -6.581 431 HG2 GLN 59 2HG GLN 59 2.726 -1.198 -6.284 432 HG3 GLN 59 3HG GLN 59 3.250 0.476 -6.114 433 HE21 GLN 59 1HE2 GLN 59 1.188 1.681 -4.899 434 HE22 GLN 59 2HE2 GLN 59 0.899 0.989 -3.343 435 H LEU 60 H LEU 60 -0.775 -0.928 -5.680 436 HA LEU 60 HA LEU 60 0.274 -3.005 -4.187 437 HB2 LEU 60 2HB LEU 60 -2.485 -1.833 -4.322 438 HB3 LEU 60 3HB LEU 60 -2.085 -3.127 -3.196 439 HG LEU 60 HG LEU 60 -0.229 -0.891 -3.032 440 HD11 LEU 60 1HD1 LEU 60 -2.643 0.045 -3.644 441 HD12 LEU 60 2HD1 LEU 60 -1.584 0.841 -2.481 442 HD13 LEU 60 3HD1 LEU 60 -2.884 -0.207 -1.915 443 HD21 LEU 60 1HD2 LEU 60 -2.003 -1.764 -0.816 444 HD22 LEU 60 2HD2 LEU 60 -0.281 -1.380 -0.806 445 HD23 LEU 60 3HD2 LEU 60 -0.838 -2.924 -1.453 446 H ARG 61 H ARG 61 -2.303 -3.099 -6.615 447 HA ARG 61 HA ARG 61 -3.001 -5.802 -6.287 448 HB2 ARG 61 2HB ARG 61 -4.441 -4.281 -7.501 449 HB3 ARG 61 3HB ARG 61 -3.193 -4.008 -8.711 450 HG2 ARG 61 2HG ARG 61 -4.014 -6.810 -8.325 451 HG3 ARG 61 3HG ARG 61 -5.227 -5.733 -9.018 452 HD2 ARG 61 2HD ARG 61 -2.621 -5.326 -10.211 453 HD3 ARG 61 3HD ARG 61 -3.155 -7.000 -10.366 454 HE ARG 61 HE ARG 61 -4.232 -4.715 -11.713 455 HH11 ARG 61 1HH1 ARG 61 -4.964 -7.895 -10.500 456 HH12 ARG 61 2HH1 ARG 61 -6.268 -8.160 -11.610 457 HH21 ARG 61 1HH2 ARG 61 -5.947 -5.052 -13.179 458 HH22 ARG 61 2HH2 ARG 61 -6.825 -6.543 -13.134 459 H LEU 62 H LEU 62 -0.680 -4.234 -8.465 460 HA LEU 62 HA LEU 62 0.114 -6.586 -9.812 461 HB2 LEU 62 2HB LEU 62 0.908 -3.805 -9.709 462 HB3 LEU 62 3HB LEU 62 2.304 -4.872 -9.837 463 HG LEU 62 HG LEU 62 0.698 -5.887 -11.775 464 HD11 LEU 62 1HD1 LEU 62 -0.977 -4.132 -11.450 465 HD12 LEU 62 2HD1 LEU 62 -0.229 -4.032 -13.044 466 HD13 LEU 62 3HD1 LEU 62 0.249 -2.906 -11.773 467 HD21 LEU 62 1HD2 LEU 62 2.194 -4.874 -13.324 468 HD22 LEU 62 2HD2 LEU 62 3.112 -5.217 -11.858 469 HD23 LEU 62 3HD2 LEU 62 2.576 -3.571 -12.198 470 H VAL 63 H VAL 63 1.389 -4.913 -6.966 471 HA VAL 63 HA VAL 63 3.709 -6.388 -6.568 472 HB VAL 63 HB VAL 63 1.876 -5.237 -4.460 473 HG11 VAL 63 1HG1 VAL 63 3.258 -6.606 -3.229 474 HG12 VAL 63 2HG1 VAL 63 4.610 -6.429 -4.349 475 HG13 VAL 63 3HG1 VAL 63 4.192 -5.110 -3.255 476 HG21 VAL 63 1HG2 VAL 63 2.660 -3.214 -4.965 477 HG22 VAL 63 2HG2 VAL 63 4.326 -3.794 -5.010 478 HG23 VAL 63 3HG2 VAL 63 3.307 -3.926 -6.443 479 H ILE 64 H ILE 64 0.411 -7.045 -5.437 480 HA ILE 64 HA ILE 64 0.999 -9.341 -3.932 481 HB ILE 64 HB ILE 64 -1.555 -8.651 -5.390 482 HG12 ILE 64 2HG1 ILE 64 -1.235 -8.360 -2.446 483 HG13 ILE 64 3HG1 ILE 64 -0.439 -7.165 -3.465 484 HG21 ILE 64 1HG2 ILE 64 -2.330 -10.628 -4.748 485 HG22 ILE 64 2HG2 ILE 64 -0.783 -11.013 -3.994 486 HG23 ILE 64 3HG2 ILE 64 -2.034 -10.184 -3.067 487 HD11 ILE 64 1HD1 ILE 64 -3.363 -7.842 -3.631 488 HD12 ILE 64 2HD1 ILE 64 -2.698 -6.508 -2.689 489 HD13 ILE 64 3HD1 ILE 64 -2.520 -6.523 -4.443 490 H CYS 65 H CYS 65 -0.233 -9.070 -7.269 491 HA CYS 65 HA CYS 65 -0.245 -11.789 -7.871 492 HB2 CYS 65 2HB CYS 65 -0.837 -9.451 -9.227 493 HB3 CYS 65 3HB CYS 65 0.519 -10.109 -10.134 494 HG CYS 65 HG CYS 65 -2.580 -10.883 -10.427 495 H ASP 66 H ASP 66 2.377 -9.499 -7.776 496 HA ASP 66 HA ASP 66 4.233 -11.185 -9.188 497 HB2 ASP 66 2HB ASP 66 4.703 -8.718 -7.499 498 HB3 ASP 66 3HB ASP 66 5.913 -9.504 -8.509 499 H LEU 67 H LEU 67 4.244 -9.949 -5.839 500 HA LEU 67 HA LEU 67 6.186 -11.626 -4.823 501 HB2 LEU 67 2HB LEU 67 4.789 -9.648 -3.776 502 HB3 LEU 67 3HB LEU 67 3.833 -10.975 -3.119 503 HG LEU 67 HG LEU 67 5.950 -11.870 -2.105 504 HD11 LEU 67 1HD1 LEU 67 7.424 -10.548 -3.681 505 HD12 LEU 67 2HD1 LEU 67 7.890 -10.540 -1.980 506 HD13 LEU 67 3HD1 LEU 67 7.072 -9.141 -2.677 507 HD21 LEU 67 1HD2 LEU 67 4.795 -10.909 -0.433 508 HD22 LEU 67 2HD2 LEU 67 4.495 -9.431 -1.346 509 HD23 LEU 67 3HD2 LEU 67 6.044 -9.668 -0.535 510 H GLN 68 H GLN 68 2.742 -12.233 -5.250 511 HA GLN 68 HA GLN 68 2.712 -14.717 -3.864 512 HB2 GLN 68 2HB GLN 68 0.651 -13.514 -4.147 513 HB3 GLN 68 3HB GLN 68 0.829 -13.516 -5.895 514 HG2 GLN 68 2HG GLN 68 0.147 -15.677 -6.107 515 HG3 GLN 68 3HG GLN 68 0.733 -16.136 -4.508 516 HE21 GLN 68 1HE2 GLN 68 -0.465 -14.560 -2.792 517 HE22 GLN 68 2HE2 GLN 68 -2.187 -14.674 -2.891 518 H GLU 69 H GLU 69 2.791 -13.879 -7.322 519 HA GLU 69 HA GLU 69 2.798 -16.421 -8.399 520 HB2 GLU 69 2HB GLU 69 2.623 -14.498 -9.827 521 HB3 GLU 69 3HB GLU 69 4.212 -13.926 -9.340 522 HG2 GLU 69 2HG GLU 69 5.290 -15.720 -10.483 523 HG3 GLU 69 3HG GLU 69 3.747 -16.505 -10.812 524 H ARG 70 H ARG 70 5.490 -14.575 -7.062 525 HA ARG 70 HA ARG 70 7.509 -16.432 -7.818 526 HB2 ARG 70 2HB ARG 70 7.437 -14.217 -5.771 527 HB3 ARG 70 3HB ARG 70 8.867 -15.195 -6.069 528 HG2 ARG 70 2HG ARG 70 7.559 -13.860 -8.379 529 HG3 ARG 70 3HG ARG 70 8.513 -12.883 -7.262 530 HD2 ARG 70 2HD ARG 70 10.369 -13.560 -8.270 531 HD3 ARG 70 3HD ARG 70 9.997 -15.224 -7.822 532 HE ARG 70 HE ARG 70 8.553 -14.423 -10.136 533 HH11 ARG 70 1HH1 ARG 70 11.692 -15.449 -9.035 534 HH12 ARG 70 2HH1 ARG 70 12.157 -16.112 -10.566 535 HH21 ARG 70 1HH2 ARG 70 9.153 -15.293 -12.158 536 HH22 ARG 70 2HH2 ARG 70 10.712 -16.022 -12.343 537 H ARG 71 H ARG 71 5.860 -15.781 -4.729 538 HA ARG 71 HA ARG 71 7.119 -17.716 -3.187 539 HB2 ARG 71 2HB ARG 71 5.729 -16.079 -2.130 540 HB3 ARG 71 3HB ARG 71 4.319 -16.601 -3.041 541 HG2 ARG 71 2HG ARG 71 4.333 -18.733 -1.855 542 HG3 ARG 71 3HG ARG 71 5.756 -18.218 -0.946 543 HD2 ARG 71 2HD ARG 71 3.959 -17.796 0.493 544 HD3 ARG 71 3HD ARG 71 4.341 -16.223 -0.207 545 HE ARG 71 HE ARG 71 2.257 -16.194 -1.130 546 HH11 ARG 71 1HH1 ARG 71 3.086 -19.488 -0.367 547 HH12 ARG 71 2HH1 ARG 71 1.529 -20.116 -0.794 548 HH21 ARG 71 1HH2 ARG 71 0.204 -17.008 -1.695 549 HH22 ARG 71 2HH2 ARG 71 -0.110 -18.705 -1.551 550 H GLU 72 H GLU 72 4.480 -18.016 -5.476 551 HA GLU 72 HA GLU 72 3.711 -20.652 -4.744 552 HB2 GLU 72 2HB GLU 72 2.208 -19.179 -5.983 553 HB3 GLU 72 3HB GLU 72 3.326 -19.151 -7.339 554 HG2 GLU 72 2HG GLU 72 2.197 -20.851 -8.189 555 HG3 GLU 72 3HG GLU 72 2.848 -21.848 -6.889 556 H LYS 73 H LYS 73 5.604 -19.423 -7.505 557 HA LYS 73 HA LYS 73 6.307 -21.842 -8.640 558 HB2 LYS 73 2HB LYS 73 7.290 -19.097 -8.734 559 HB3 LYS 73 3HB LYS 73 8.570 -20.277 -8.982 560 HG2 LYS 73 2HG LYS 73 7.036 -21.333 -10.719 561 HG3 LYS 73 3HG LYS 73 6.085 -19.850 -10.605 562 HD2 LYS 73 2HD LYS 73 7.464 -19.101 -12.214 563 HD3 LYS 73 3HD LYS 73 8.604 -18.858 -10.890 564 HE2 LYS 73 2HE LYS 73 9.850 -20.053 -12.441 565 HE3 LYS 73 3HE LYS 73 9.291 -21.305 -11.334 566 HZ1 LYS 73 1HZ LYS 73 8.492 -20.778 -14.101 567 HZ2 LYS 73 2HZ LYS 73 7.329 -21.413 -13.049 568 HZ3 LYS 73 3HZ LYS 73 8.772 -22.254 -13.322 569 H PHE 74 H PHE 74 7.707 -20.198 -5.871 570 HA PHE 74 HA PHE 74 9.918 -22.028 -5.643 571 HB2 PHE 74 2HB PHE 74 10.191 -19.738 -4.872 572 HB3 PHE 74 3HB PHE 74 8.856 -19.929 -3.742 573 HD1 PHE 74 HD1 PHE 74 9.177 -20.904 -1.617 574 HD2 PHE 74 HD2 PHE 74 12.305 -20.992 -4.503 575 HE1 PHE 74 HE1 PHE 74 10.751 -21.659 0.117 576 HE2 PHE 74 HE2 PHE 74 13.884 -21.748 -2.773 577 HZ PHE 74 HZ PHE 74 13.108 -22.082 -0.461 578 H GLY 75 H GLY 75 6.683 -21.766 -4.381 579 HA2 GLY 75 2HA GLY 75 5.877 -24.112 -3.760 580 HA3 GLY 75 3HA GLY 75 7.191 -24.056 -2.595 581 H SER 76 H SER 76 6.870 -23.099 -0.660 582 HA SER 76 HA SER 76 4.516 -21.407 -0.283 583 HB2 SER 76 2HB SER 76 5.062 -23.666 1.635 584 HB3 SER 76 3HB SER 76 3.607 -22.682 1.487 585 HG SER 76 HG SER 76 4.363 -24.927 0.100 586 H SER 77 H SER 77 4.795 -19.811 1.189 587 HA SER 77 HA SER 77 7.013 -19.943 3.074 588 HB2 SER 77 2HB SER 77 8.228 -18.911 1.365 589 HB3 SER 77 3HB SER 77 6.833 -17.997 0.791 590 HG SER 77 HG SER 77 8.335 -17.561 3.156 591 H LYS 78 H LYS 78 6.108 -19.466 4.954 592 HA LYS 78 HA LYS 78 3.641 -18.183 5.290 593 HB2 LYS 78 2HB LYS 78 5.764 -19.217 7.007 594 HB3 LYS 78 3HB LYS 78 4.963 -17.809 7.693 595 HG2 LYS 78 2HG LYS 78 2.824 -19.246 6.887 596 HG3 LYS 78 3HG LYS 78 3.964 -20.539 7.272 597 HD2 LYS 78 2HD LYS 78 4.266 -19.666 9.502 598 HD3 LYS 78 3HD LYS 78 3.259 -18.266 9.127 599 HE2 LYS 78 2HE LYS 78 1.851 -20.702 8.532 600 HE3 LYS 78 3HE LYS 78 2.446 -20.731 10.192 601 HZ1 LYS 78 1HZ LYS 78 0.273 -19.746 10.128 602 HZ2 LYS 78 2HZ LYS 78 0.757 -18.621 8.962 603 HZ3 LYS 78 3HZ LYS 78 1.398 -18.548 10.526 604 H GLU 79 H GLU 79 6.951 -16.948 5.664 605 HA GLU 79 HA GLU 79 6.339 -14.382 6.542 606 HB2 GLU 79 2HB GLU 79 8.643 -15.713 5.313 607 HB3 GLU 79 3HB GLU 79 8.558 -13.993 4.965 608 HG2 GLU 79 2HG GLU 79 8.773 -13.397 7.190 609 HG3 GLU 79 3HG GLU 79 8.255 -14.981 7.767 610 H ILE 80 H ILE 80 7.060 -15.378 3.191 611 HA ILE 80 HA ILE 80 6.449 -12.961 1.962 612 HB ILE 80 HB ILE 80 6.076 -15.731 0.813 613 HG12 ILE 80 2HG1 ILE 80 8.452 -13.896 0.503 614 HG13 ILE 80 3HG1 ILE 80 8.366 -15.137 1.747 615 HG21 ILE 80 1HG2 ILE 80 6.071 -12.995 -0.390 616 HG22 ILE 80 2HG2 ILE 80 6.624 -14.377 -1.334 617 HG23 ILE 80 3HG2 ILE 80 4.984 -14.352 -0.686 618 HD11 ILE 80 1HD1 ILE 80 9.144 -16.611 0.302 619 HD12 ILE 80 2HD1 ILE 80 7.724 -16.361 -0.714 620 HD13 ILE 80 3HD1 ILE 80 9.169 -15.380 -0.961 621 H ASP 81 H ASP 81 4.341 -15.742 2.618 622 HA ASP 81 HA ASP 81 2.034 -14.826 1.363 623 HB2 ASP 81 2HB ASP 81 2.158 -17.092 2.164 624 HB3 ASP 81 3HB ASP 81 2.363 -16.546 3.826 625 H MET 82 H MET 82 3.381 -14.024 4.501 626 HA MET 82 HA MET 82 1.096 -12.670 5.504 627 HB2 MET 82 2HB MET 82 4.015 -12.431 6.243 628 HB3 MET 82 3HB MET 82 2.699 -11.691 7.143 629 HG2 MET 82 2HG MET 82 2.087 -14.435 6.824 630 HG3 MET 82 3HG MET 82 3.760 -14.311 7.365 631 HE1 MET 82 1HE MET 82 0.568 -14.904 8.067 632 HE2 MET 82 2HE MET 82 0.845 -15.262 9.771 633 HE3 MET 82 3HE MET 82 -0.096 -13.842 9.309 634 H ALA 83 H ALA 83 4.046 -11.564 3.871 635 HA ALA 83 HA ALA 83 3.525 -8.814 3.981 636 HB1 ALA 83 1HB ALA 83 4.924 -9.057 1.667 637 HB2 ALA 83 2HB ALA 83 5.644 -9.048 3.278 638 HB3 ALA 83 3HB ALA 83 5.316 -10.579 2.468 639 H ILE 84 H ILE 84 2.464 -11.293 1.722 640 HA ILE 84 HA ILE 84 1.396 -9.550 -0.235 641 HB ILE 84 HB ILE 84 0.598 -12.392 0.410 642 HG12 ILE 84 2HG1 ILE 84 2.387 -11.490 -1.836 643 HG13 ILE 84 3HG1 ILE 84 3.037 -11.844 -0.239 644 HG21 ILE 84 1HG2 ILE 84 -1.138 -11.729 -0.917 645 HG22 ILE 84 2HG2 ILE 84 -0.184 -10.496 -1.740 646 HG23 ILE 84 3HG2 ILE 84 0.023 -12.196 -2.160 647 HD11 ILE 84 1HD1 ILE 84 2.593 -14.091 -0.413 648 HD12 ILE 84 2HD1 ILE 84 1.326 -13.856 -1.617 649 HD13 ILE 84 3HD1 ILE 84 3.020 -13.674 -2.072 650 H VAL 85 H VAL 85 -0.286 -11.507 2.233 651 HA VAL 85 HA VAL 85 -2.831 -10.467 1.857 652 HB VAL 85 HB VAL 85 -2.375 -12.446 3.241 653 HG11 VAL 85 1HG1 VAL 85 -1.659 -12.076 5.614 654 HG12 VAL 85 2HG1 VAL 85 -0.400 -11.794 4.411 655 HG13 VAL 85 3HG1 VAL 85 -1.226 -10.429 5.160 656 HG21 VAL 85 1HG2 VAL 85 -3.951 -11.899 5.093 657 HG22 VAL 85 2HG2 VAL 85 -3.858 -10.205 4.610 658 HG23 VAL 85 3HG2 VAL 85 -4.519 -11.404 3.498 659 H THR 86 H THR 86 -0.085 -9.103 3.485 660 HA THR 86 HA THR 86 -1.485 -7.171 5.033 661 HB THR 86 HB THR 86 1.382 -7.166 4.068 662 HG1 THR 86 HG1 THR 86 0.075 -8.155 6.378 663 HG21 THR 86 1HG2 THR 86 1.646 -5.622 6.093 664 HG22 THR 86 2HG2 THR 86 -0.102 -5.408 6.005 665 HG23 THR 86 3HG2 THR 86 0.915 -4.934 4.644 666 H LEU 87 H LEU 87 0.277 -6.953 1.945 667 HA LEU 87 HA LEU 87 -0.312 -4.239 1.468 668 HB2 LEU 87 2HB LEU 87 0.680 -6.521 -0.146 669 HB3 LEU 87 3HB LEU 87 0.055 -5.122 -1.014 670 HG LEU 87 HG LEU 87 2.135 -4.744 1.098 671 HD11 LEU 87 1HD1 LEU 87 3.526 -4.841 -1.282 672 HD12 LEU 87 2HD1 LEU 87 2.468 -6.249 -1.361 673 HD13 LEU 87 3HD1 LEU 87 3.568 -6.048 0.003 674 HD21 LEU 87 1HD2 LEU 87 1.247 -3.302 -1.382 675 HD22 LEU 87 2HD2 LEU 87 2.776 -2.938 -0.579 676 HD23 LEU 87 3HD2 LEU 87 1.251 -2.727 0.285 677 H LYS 88 H LYS 88 -2.147 -7.135 1.036 678 HA LYS 88 HA LYS 88 -3.991 -6.130 -0.890 679 HB2 LYS 88 2HB LYS 88 -3.479 -8.596 0.327 680 HB3 LYS 88 3HB LYS 88 -5.107 -8.170 0.840 681 HG2 LYS 88 2HG LYS 88 -5.970 -8.449 -1.215 682 HG3 LYS 88 3HG LYS 88 -4.547 -7.785 -2.021 683 HD2 LYS 88 2HD LYS 88 -3.347 -9.891 -1.591 684 HD3 LYS 88 3HD LYS 88 -4.800 -10.551 -0.838 685 HE2 LYS 88 2HE LYS 88 -6.001 -10.431 -2.905 686 HE3 LYS 88 3HE LYS 88 -4.685 -9.547 -3.677 687 HZ1 LYS 88 1HZ LYS 88 -3.478 -11.804 -2.800 688 HZ2 LYS 88 2HZ LYS 88 -4.028 -11.543 -4.378 689 HZ3 LYS 88 3HZ LYS 88 -4.999 -12.374 -3.272 690 H VAL 89 H VAL 89 -4.469 -6.865 2.572 691 HA VAL 89 HA VAL 89 -6.930 -5.659 2.892 692 HB VAL 89 HB VAL 89 -6.002 -7.016 4.651 693 HG11 VAL 89 1HG1 VAL 89 -3.639 -6.350 4.297 694 HG12 VAL 89 2HG1 VAL 89 -3.980 -4.829 5.124 695 HG13 VAL 89 3HG1 VAL 89 -4.117 -6.357 5.995 696 HG21 VAL 89 1HG2 VAL 89 -6.469 -5.604 6.596 697 HG22 VAL 89 2HG2 VAL 89 -6.351 -4.166 5.582 698 HG23 VAL 89 3HG2 VAL 89 -7.643 -5.335 5.308 699 H PHE 90 H PHE 90 -3.718 -4.200 3.045 700 HA PHE 90 HA PHE 90 -4.570 -1.646 3.918 701 HB2 PHE 90 2HB PHE 90 -2.264 -2.244 4.187 702 HB3 PHE 90 3HB PHE 90 -2.083 -2.553 2.463 703 HD1 PHE 90 HD1 PHE 90 -2.314 0.016 5.053 704 HD2 PHE 90 HD2 PHE 90 -1.827 -0.740 0.893 705 HE1 PHE 90 HE1 PHE 90 -1.570 2.338 4.721 706 HE2 PHE 90 HE2 PHE 90 -1.081 1.579 0.554 707 HZ PHE 90 HZ PHE 90 -0.951 3.122 2.469 708 H ALA 91 H ALA 91 -4.112 -3.081 0.733 709 HA ALA 91 HA ALA 91 -4.444 -0.711 -0.770 710 HB1 ALA 91 1HB ALA 91 -3.470 -2.884 -1.586 711 HB2 ALA 91 2HB ALA 91 -5.122 -3.490 -1.703 712 HB3 ALA 91 3HB ALA 91 -4.619 -2.109 -2.677 713 H VAL 92 H VAL 92 -6.731 -3.311 0.064 714 HA VAL 92 HA VAL 92 -8.969 -2.055 -1.159 715 HB VAL 92 HB VAL 92 -9.043 -4.112 1.049 716 HG11 VAL 92 1HG1 VAL 92 -11.109 -4.677 -0.586 717 HG12 VAL 92 2HG1 VAL 92 -11.235 -3.624 0.824 718 HG13 VAL 92 3HG1 VAL 92 -11.024 -2.927 -0.783 719 HG21 VAL 92 1HG2 VAL 92 -8.164 -4.323 -1.732 720 HG22 VAL 92 2HG2 VAL 92 -7.901 -5.417 -0.373 721 HG23 VAL 92 3HG2 VAL 92 -9.410 -5.488 -1.284 722 H ALA 93 H ALA 93 -8.131 -2.509 2.282 723 HA ALA 93 HA ALA 93 -10.182 -0.841 3.266 724 HB1 ALA 93 1HB ALA 93 -7.582 -1.430 4.661 725 HB2 ALA 93 2HB ALA 93 -9.142 -1.044 5.389 726 HB3 ALA 93 3HB ALA 93 -8.912 -2.584 4.560 727 H GLY 94 H GLY 94 -7.265 -0.105 1.699 728 HA2 GLY 94 2HA GLY 94 -7.078 2.557 2.913 729 HA3 GLY 94 3HA GLY 94 -5.892 1.825 1.844 730 H LEU 95 H LEU 95 -6.656 1.466 -0.444 731 HA LEU 95 HA LEU 95 -7.427 3.909 -1.576 732 HB2 LEU 95 2HB LEU 95 -7.281 1.116 -2.664 733 HB3 LEU 95 3HB LEU 95 -7.791 2.475 -3.662 734 HG LEU 95 HG LEU 95 -5.490 2.050 -4.112 735 HD11 LEU 95 1HD1 LEU 95 -5.081 4.337 -2.307 736 HD12 LEU 95 2HD1 LEU 95 -6.437 4.479 -3.425 737 HD13 LEU 95 3HD1 LEU 95 -4.810 4.193 -4.044 738 HD21 LEU 95 1HD2 LEU 95 -5.050 0.812 -1.996 739 HD22 LEU 95 2HD2 LEU 95 -4.929 2.365 -1.168 740 HD23 LEU 95 3HD2 LEU 95 -3.779 1.952 -2.441 741 H LEU 96 H LEU 96 -9.275 0.940 -0.999 742 HA LEU 96 HA LEU 96 -11.706 2.169 -2.006 743 HB2 LEU 96 2HB LEU 96 -10.754 -0.456 -1.762 744 HB3 LEU 96 3HB LEU 96 -12.121 -0.337 -0.657 745 HG LEU 96 HG LEU 96 -12.771 -1.198 -2.860 746 HD11 LEU 96 1HD1 LEU 96 -13.914 1.559 -2.512 747 HD12 LEU 96 2HD1 LEU 96 -14.275 0.235 -1.404 748 HD13 LEU 96 3HD1 LEU 96 -14.714 0.104 -3.107 749 HD21 LEU 96 1HD2 LEU 96 -12.350 -0.165 -4.835 750 HD22 LEU 96 2HD2 LEU 96 -10.966 0.449 -3.931 751 HD23 LEU 96 3HD2 LEU 96 -12.404 1.452 -4.130 752 H ASN 97 H ASN 97 -10.043 2.340 0.811 753 HA ASN 97 HA ASN 97 -10.541 2.861 2.973 754 HB2 ASN 97 2HB ASN 97 -12.969 4.031 1.597 755 HB3 ASN 97 3HB ASN 97 -12.510 4.366 3.265 756 HD21 ASN 97 1HD2 ASN 97 -11.429 6.166 3.545 757 HD22 ASN 97 2HD2 ASN 97 -10.413 6.941 2.383 758 H MET 98 H MET 98 -11.436 0.253 1.976 759 HA MET 98 HA MET 98 -13.992 -0.354 3.053 760 HB2 MET 98 2HB MET 98 -12.406 -1.654 1.356 761 HB3 MET 98 3HB MET 98 -11.909 -2.471 2.832 762 HG2 MET 98 2HG MET 98 -13.596 -3.850 2.289 763 HG3 MET 98 3HG MET 98 -14.559 -2.633 3.123 764 HE1 MET 98 1HE MET 98 -16.673 -2.254 2.303 765 HE2 MET 98 2HE MET 98 -17.254 -2.424 0.647 766 HE3 MET 98 3HE MET 98 -16.720 -3.846 1.546 767 H THR 99 H THR 99 -14.485 -1.597 4.926 768 HA THR 99 HA THR 99 -12.619 -1.091 7.133 769 HB THR 99 HB THR 99 -15.444 -2.019 7.533 770 HG1 THR 99 HG1 THR 99 -16.013 0.251 7.545 771 HG21 THR 99 1HG2 THR 99 -13.505 -1.593 9.311 772 HG22 THR 99 2HG2 THR 99 -15.196 -1.240 9.664 773 HG23 THR 99 3HG2 THR 99 -14.106 0.059 9.180 774 H VAL 100 H VAL 100 -11.621 -3.100 5.811 775 HA VAL 100 HA VAL 100 -12.580 -5.670 6.096 776 HB VAL 100 HB VAL 100 -9.696 -4.788 6.299 777 HG11 VAL 100 1HG1 VAL 100 -9.171 -7.064 5.540 778 HG12 VAL 100 2HG1 VAL 100 -9.993 -7.063 7.102 779 HG13 VAL 100 3HG1 VAL 100 -10.881 -7.482 5.636 780 HG21 VAL 100 1HG2 VAL 100 -11.447 -4.476 4.186 781 HG22 VAL 100 2HG2 VAL 100 -9.686 -4.467 4.090 782 HG23 VAL 100 3HG2 VAL 100 -10.579 -5.958 3.791 783 H SER 101 H SER 101 -12.592 -7.203 7.674 784 HA SER 101 HA SER 101 -12.094 -6.257 10.392 785 HB2 SER 101 2HB SER 101 -13.266 -8.947 9.828 786 HB3 SER 101 3HB SER 101 -13.641 -7.807 11.120 787 HG SER 101 HG SER 101 -15.276 -7.302 9.905 788 H THR 102 H THR 102 -10.918 -8.553 8.060 789 HA THR 102 HA THR 102 -8.664 -9.154 9.805 790 HB THR 102 HB THR 102 -8.804 -11.544 9.541 791 HG1 THR 102 HG1 THR 102 -11.321 -11.299 8.273 792 HG21 THR 102 1HG2 THR 102 -11.532 -10.552 10.367 793 HG22 THR 102 2HG2 THR 102 -10.097 -10.477 11.389 794 HG23 THR 102 3HG2 THR 102 -10.739 -12.039 10.881 795 H ALA 103 H ALA 103 -6.780 -9.536 8.719 796 HA ALA 103 HA ALA 103 -6.415 -8.572 6.162 797 HB1 ALA 103 1HB ALA 103 -4.215 -9.250 6.327 798 HB2 ALA 103 2HB ALA 103 -4.700 -9.177 8.021 799 HB3 ALA 103 3HB ALA 103 -4.625 -10.731 7.191 800 H ALA 104 H ALA 104 -7.249 -11.817 7.195 801 HA ALA 104 HA ALA 104 -6.753 -13.146 4.756 802 HB1 ALA 104 1HB ALA 104 -7.025 -14.713 6.355 803 HB2 ALA 104 2HB ALA 104 -8.194 -13.746 7.257 804 HB3 ALA 104 3HB ALA 104 -8.708 -14.649 5.831 805 H ALA 105 H ALA 105 -9.787 -11.879 6.134 806 HA ALA 105 HA ALA 105 -11.484 -12.515 4.035 807 HB1 ALA 105 1HB ALA 105 -12.749 -11.750 5.729 808 HB2 ALA 105 2HB ALA 105 -11.523 -10.602 6.268 809 HB3 ALA 105 3HB ALA 105 -12.572 -10.199 4.908 810 H ALA 106 H ALA 106 -9.352 -9.734 4.437 811 HA ALA 106 HA ALA 106 -10.271 -8.212 2.262 812 HB1 ALA 106 1HB ALA 106 -8.832 -6.798 3.181 813 HB2 ALA 106 2HB ALA 106 -8.121 -8.096 4.142 814 HB3 ALA 106 3HB ALA 106 -7.504 -7.757 2.524 815 H GLU 107 H GLU 107 -7.494 -10.444 2.461 816 HA GLU 107 HA GLU 107 -6.669 -10.283 -0.180 817 HB2 GLU 107 2HB GLU 107 -5.290 -11.407 1.415 818 HB3 GLU 107 3HB GLU 107 -6.551 -12.575 1.776 819 HG2 GLU 107 2HG GLU 107 -5.980 -13.893 0.075 820 HG3 GLU 107 3HG GLU 107 -5.789 -12.538 -1.034 821 H ASN 108 H ASN 108 -9.274 -12.149 1.249 822 HA ASN 108 HA ASN 108 -9.789 -13.775 -1.025 823 HB2 ASN 108 2HB ASN 108 -10.632 -13.798 1.570 824 HB3 ASN 108 3HB ASN 108 -12.066 -13.186 0.751 825 HD21 ASN 108 1HD2 ASN 108 -13.403 -14.620 -0.080 826 HD22 ASN 108 2HD2 ASN 108 -13.037 -16.277 -0.409 827 H MET 109 H MET 109 -10.951 -10.642 0.064 828 HA MET 109 HA MET 109 -13.068 -10.383 -1.791 829 HB2 MET 109 2HB MET 109 -11.762 -8.734 0.196 830 HB3 MET 109 3HB MET 109 -12.120 -7.804 -1.253 831 HG2 MET 109 2HG MET 109 -13.928 -7.648 0.352 832 HG3 MET 109 3HG MET 109 -14.456 -8.463 -1.118 833 HE1 MET 109 1HE MET 109 -16.110 -9.709 2.373 834 HE2 MET 109 2HE MET 109 -14.601 -8.963 2.897 835 HE3 MET 109 3HE MET 109 -15.619 -8.151 1.707 836 H TYR 110 H TYR 110 -9.709 -9.219 -1.849 837 HA TYR 110 HA TYR 110 -9.843 -7.934 -4.341 838 HB2 TYR 110 2HB TYR 110 -7.911 -8.297 -2.385 839 HB3 TYR 110 3HB TYR 110 -7.243 -9.133 -3.782 840 HD1 TYR 110 HD1 TYR 110 -5.671 -7.819 -4.838 841 HD2 TYR 110 HD2 TYR 110 -9.215 -5.979 -3.367 842 HE1 TYR 110 HE1 TYR 110 -4.937 -5.668 -5.777 843 HE2 TYR 110 HE2 TYR 110 -8.492 -3.824 -4.303 844 HH TYR 110 HH TYR 110 -5.470 -3.115 -5.163 845 H SER 111 H SER 111 -8.858 -11.233 -3.477 846 HA SER 111 HA SER 111 -8.208 -12.036 -6.112 847 HB2 SER 111 2HB SER 111 -7.290 -13.567 -4.711 848 HB3 SER 111 3HB SER 111 -8.539 -13.343 -3.487 849 HG SER 111 HG SER 111 -8.558 -15.432 -4.527 850 H GLN 112 H GLN 112 -11.128 -12.465 -4.137 851 HA GLN 112 HA GLN 112 -12.591 -13.923 -6.054 852 HB2 GLN 112 2HB GLN 112 -13.190 -13.834 -3.665 853 HB3 GLN 112 3HB GLN 112 -13.622 -12.139 -3.842 854 HG2 GLN 112 2HG GLN 112 -15.391 -12.752 -5.411 855 HG3 GLN 112 3HG GLN 112 -14.959 -14.451 -5.228 856 HE21 GLN 112 1HE2 GLN 112 -17.483 -13.145 -4.673 857 HE22 GLN 112 2HE2 GLN 112 -17.824 -13.428 -3.003 858 H MET 113 H MET 113 -12.087 -10.499 -5.563 859 HA MET 113 HA MET 113 -14.195 -9.548 -7.179 860 HB2 MET 113 2HB MET 113 -11.732 -8.433 -5.991 861 HB3 MET 113 3HB MET 113 -12.323 -7.598 -7.421 862 HG2 MET 113 2HG MET 113 -14.389 -8.205 -5.441 863 HG3 MET 113 3HG MET 113 -13.129 -7.111 -4.874 864 HE1 MET 113 1HE MET 113 -13.395 -4.000 -6.798 865 HE2 MET 113 2HE MET 113 -13.944 -4.337 -5.156 866 HE3 MET 113 3HE MET 113 -12.466 -5.086 -5.763 867 H GLY 114 H GLY 114 -11.131 -10.951 -7.930 868 HA2 GLY 114 2HA GLY 114 -10.876 -11.860 -10.179 869 HA3 GLY 114 3HA GLY 114 -11.632 -10.394 -10.786 870 H LEU 115 H LEU 115 -9.275 -10.242 -8.235 871 HA LEU 115 HA LEU 115 -7.405 -8.973 -10.119 872 HB2 LEU 115 2HB LEU 115 -7.710 -8.624 -7.141 873 HB3 LEU 115 3HB LEU 115 -6.467 -7.851 -8.122 874 HG LEU 115 HG LEU 115 -8.613 -6.957 -9.424 875 HD11 LEU 115 1HD1 LEU 115 -10.193 -8.172 -7.998 876 HD12 LEU 115 2HD1 LEU 115 -10.408 -6.426 -7.879 877 HD13 LEU 115 3HD1 LEU 115 -9.583 -7.302 -6.590 878 HD21 LEU 115 1HD2 LEU 115 -6.722 -5.914 -7.700 879 HD22 LEU 115 2HD2 LEU 115 -8.255 -5.393 -7.004 880 HD23 LEU 115 3HD2 LEU 115 -7.866 -4.995 -8.677 881 H ASP 116 H ASP 116 -7.842 -11.604 -7.972 882 HA ASP 116 HA ASP 116 -5.270 -12.686 -8.684 883 HB2 ASP 116 2HB ASP 116 -5.412 -11.205 -6.319 884 HB3 ASP 116 3HB ASP 116 -5.499 -12.886 -5.799 885 H THR 117 H THR 117 -4.985 -14.840 -7.284 886 HA THR 117 HA THR 117 -7.590 -16.216 -7.409 887 HB THR 117 HB THR 117 -5.910 -16.959 -9.099 888 HG1 THR 117 HG1 THR 117 -7.342 -18.533 -8.640 889 HG21 THR 117 1HG2 THR 117 -4.346 -18.540 -7.231 890 HG22 THR 117 2HG2 THR 117 -4.126 -16.808 -6.983 891 HG23 THR 117 3HG2 THR 117 -3.812 -17.520 -8.565 892 H ARG 118 H ARG 118 -7.736 -18.172 -5.992 893 HA ARG 118 HA ARG 118 -6.409 -17.661 -3.411 894 HB2 ARG 118 2HB ARG 118 -8.494 -18.868 -2.479 895 HB3 ARG 118 3HB ARG 118 -8.658 -17.197 -3.006 896 HG2 ARG 118 2HG ARG 118 -9.998 -17.732 -4.748 897 HG3 ARG 118 3HG ARG 118 -9.210 -19.287 -5.021 898 HD2 ARG 118 2HD ARG 118 -10.775 -18.912 -2.520 899 HD3 ARG 118 3HD ARG 118 -11.657 -19.118 -4.031 900 HE ARG 118 HE ARG 118 -10.294 -21.137 -2.569 901 HH11 ARG 118 1HH1 ARG 118 -11.077 -20.103 -5.801 902 HH12 ARG 118 2HH1 ARG 118 -10.999 -21.700 -6.469 903 HH21 ARG 118 1HH2 ARG 118 -10.189 -23.243 -3.439 904 HH22 ARG 118 2HH2 ARG 118 -10.495 -23.485 -5.125 905 HA PRO 119 HA PRO 119 -4.789 -21.739 -3.400 906 HB2 PRO 119 2HB PRO 119 -4.959 -22.401 -0.773 907 HB3 PRO 119 3HB PRO 119 -3.795 -21.225 -1.394 908 HG2 PRO 119 2HG PRO 119 -6.433 -20.756 -0.057 909 HG3 PRO 119 3HG PRO 119 -4.890 -19.916 0.187 910 HD2 PRO 119 2HD PRO 119 -6.883 -18.888 -1.330 911 HD3 PRO 119 3HD PRO 119 -5.168 -18.596 -1.682 912 H21 MYR 201 1H2 MYR 1 7.125 10.388 6.972 913 H22 MYR 201 2H2 MYR 1 8.640 9.758 6.359 914 H31 MYR 201 1H3 MYR 1 7.789 9.612 4.198 915 H32 MYR 201 2H3 MYR 1 7.273 11.300 4.223 916 H41 MYR 201 1H4 MYR 1 5.085 10.788 4.907 917 H42 MYR 201 2H4 MYR 1 5.583 9.408 5.888 918 H51 MYR 201 1H5 MYR 1 5.633 7.908 4.033 919 H52 MYR 201 2H5 MYR 1 5.913 9.192 2.856 920 H61 MYR 201 1H6 MYR 1 3.643 9.702 2.637 921 H62 MYR 201 2H6 MYR 1 3.295 9.429 4.346 922 H71 MYR 201 1H7 MYR 1 2.149 7.682 3.060 923 H72 MYR 201 2H7 MYR 1 3.452 6.914 3.969 924 H81 MYR 201 1H8 MYR 1 4.687 6.384 2.053 925 H82 MYR 201 2H8 MYR 1 4.245 7.872 1.213 926 H91 MYR 201 1H9 MYR 1 3.055 6.286 -0.060 927 H92 MYR 201 2H9 MYR 1 1.800 6.798 1.069 928 H101 MYR 201 1H10 MYR 1 1.567 4.669 1.830 929 H102 MYR 201 2H10 MYR 1 3.228 4.647 2.402 930 H111 MYR 201 1H11 MYR 1 4.019 3.503 0.469 931 H112 MYR 201 2H11 MYR 1 2.790 4.206 -0.570 932 H121 MYR 201 1H12 MYR 1 1.223 2.546 -0.158 933 H122 MYR 201 2H12 MYR 1 1.654 2.387 1.545 934 H131 MYR 201 1H13 MYR 1 3.259 0.736 1.149 935 H132 MYR 201 2H13 MYR 1 3.816 1.473 -0.356 936 H141 MYR 201 1H14 MYR 1 2.726 -0.557 -1.096 937 H142 MYR 201 2H14 MYR 1 1.387 -0.373 0.060 938 H143 MYR 201 3H14 MYR 1 1.469 0.676 -1.374 Start of MODEL 9 1 H GLY 2 H GLY 2 7.346 11.990 7.316 2 HA2 GLY 2 2HA GLY 2 8.812 13.753 7.436 3 HA3 GLY 2 3HA GLY 2 10.049 12.635 6.879 4 H ASN 3 H ASN 3 7.169 13.362 5.028 5 HA ASN 3 HA ASN 3 8.686 15.147 3.274 6 HB2 ASN 3 2HB ASN 3 7.915 12.411 2.640 7 HB3 ASN 3 3HB ASN 3 7.249 13.567 1.489 8 HD21 ASN 3 1HD2 ASN 3 8.479 13.646 -0.237 9 HD22 ASN 3 2HD2 ASN 3 10.206 13.671 -0.261 10 H GLY 4 H GLY 4 5.531 13.485 3.524 11 HA2 GLY 4 2HA GLY 4 4.146 16.002 3.726 12 HA3 GLY 4 3HA GLY 4 3.921 15.209 2.175 13 H GLN 5 H GLN 5 2.713 15.535 5.255 14 HA GLN 5 HA GLN 5 1.783 12.988 5.907 15 HB2 GLN 5 2HB GLN 5 1.212 15.730 6.705 16 HB3 GLN 5 3HB GLN 5 -0.219 14.709 6.761 17 HG2 GLN 5 2HG GLN 5 0.544 13.499 8.497 18 HG3 GLN 5 3HG GLN 5 2.218 13.565 7.949 19 HE21 GLN 5 1HE2 GLN 5 -0.120 14.857 10.044 20 HE22 GLN 5 2HE2 GLN 5 0.849 16.104 10.744 21 H GLY 6 H GLY 6 -0.556 12.309 5.882 22 HA2 GLY 6 2HA GLY 6 -2.131 13.277 3.645 23 HA3 GLY 6 3HA GLY 6 -1.491 11.651 3.454 24 H ARG 7 H ARG 7 -4.274 12.792 3.796 25 HA ARG 7 HA ARG 7 -5.251 11.927 6.317 26 HB2 ARG 7 2HB ARG 7 -6.480 12.727 3.717 27 HB3 ARG 7 3HB ARG 7 -7.481 11.884 4.891 28 HG2 ARG 7 2HG ARG 7 -5.942 14.091 6.027 29 HG3 ARG 7 3HG ARG 7 -7.094 14.581 4.782 30 HD2 ARG 7 2HD ARG 7 -7.823 12.803 7.099 31 HD3 ARG 7 3HD ARG 7 -7.970 14.559 7.147 32 HE ARG 7 HE ARG 7 -9.696 12.714 5.786 33 HH11 ARG 7 1HH1 ARG 7 -8.500 15.983 5.855 34 HH12 ARG 7 2HH1 ARG 7 -9.879 16.642 5.037 35 HH21 ARG 7 1HH2 ARG 7 -11.515 13.569 4.708 36 HH22 ARG 7 2HH2 ARG 7 -11.592 15.268 4.385 37 H ASP 8 H ASP 8 -5.653 10.500 3.069 38 HA ASP 8 HA ASP 8 -6.826 8.110 3.906 39 HB2 ASP 8 2HB ASP 8 -6.512 7.332 1.720 40 HB3 ASP 8 3HB ASP 8 -6.570 9.082 1.525 41 H TRP 9 H TRP 9 -3.539 9.157 4.013 42 HA TRP 9 HA TRP 9 -2.328 6.582 4.163 43 HB2 TRP 9 2HB TRP 9 -0.962 8.438 3.502 44 HB3 TRP 9 3HB TRP 9 -1.365 9.331 4.965 45 HD1 TRP 9 HD1 TRP 9 0.312 9.131 6.898 46 HE1 TRP 9 HE1 TRP 9 2.310 7.603 7.442 47 HE3 TRP 9 HE3 TRP 9 -0.152 5.791 3.057 48 HZ2 TRP 9 HZ2 TRP 9 3.530 5.289 6.383 49 HZ3 TRP 9 HZ3 TRP 9 1.472 3.949 2.894 50 HH2 TRP 9 HH2 TRP 9 3.274 3.704 4.524 51 H LYS 10 H LYS 10 -2.695 9.078 6.690 52 HA LYS 10 HA LYS 10 -2.126 7.325 8.824 53 HB2 LYS 10 2HB LYS 10 -2.003 9.854 8.848 54 HB3 LYS 10 3HB LYS 10 -3.754 9.860 9.002 55 HG2 LYS 10 2HG LYS 10 -3.328 9.912 11.197 56 HG3 LYS 10 3HG LYS 10 -3.072 8.176 11.010 57 HD2 LYS 10 2HD LYS 10 -0.803 8.355 11.181 58 HD3 LYS 10 3HD LYS 10 -0.769 9.974 10.476 59 HE2 LYS 10 2HE LYS 10 -0.599 10.820 12.522 60 HE3 LYS 10 3HE LYS 10 -2.199 10.178 12.892 61 HZ1 LYS 10 1HZ LYS 10 -0.234 8.138 13.049 62 HZ2 LYS 10 2HZ LYS 10 -1.307 8.680 14.238 63 HZ3 LYS 10 3HZ LYS 10 0.192 9.440 14.044 64 H MET 11 H MET 11 -5.049 8.062 7.097 65 HA MET 11 HA MET 11 -6.849 7.021 9.060 66 HB2 MET 11 2HB MET 11 -7.125 7.724 6.146 67 HB3 MET 11 3HB MET 11 -8.444 6.985 7.044 68 HG2 MET 11 2HG MET 11 -7.202 9.355 8.277 69 HG3 MET 11 3HG MET 11 -8.110 9.629 6.792 70 HE1 MET 11 1HE MET 11 -8.822 11.187 8.721 71 HE2 MET 11 2HE MET 11 -10.569 11.030 8.898 72 HE3 MET 11 3HE MET 11 -9.505 10.612 10.242 73 H ALA 12 H ALA 12 -5.371 5.746 6.103 74 HA ALA 12 HA ALA 12 -6.705 3.277 6.058 75 HB1 ALA 12 1HB ALA 12 -4.583 2.552 4.772 76 HB2 ALA 12 2HB ALA 12 -5.611 3.810 4.084 77 HB3 ALA 12 3HB ALA 12 -4.117 4.248 4.912 78 H ILE 13 H ILE 13 -3.632 4.235 7.549 79 HA ILE 13 HA ILE 13 -2.940 1.668 8.506 80 HB ILE 13 HB ILE 13 -2.126 4.385 9.546 81 HG12 ILE 13 2HG1 ILE 13 -1.524 3.918 7.179 82 HG13 ILE 13 3HG1 ILE 13 -0.116 4.077 8.223 83 HG21 ILE 13 1HG2 ILE 13 -0.145 2.461 10.073 84 HG22 ILE 13 2HG2 ILE 13 -1.153 3.325 11.234 85 HG23 ILE 13 3HG2 ILE 13 -1.676 1.762 10.604 86 HD11 ILE 13 1HD1 ILE 13 -1.031 1.335 8.013 87 HD12 ILE 13 2HD1 ILE 13 -0.611 2.038 6.450 88 HD13 ILE 13 3HD1 ILE 13 0.573 2.020 7.757 89 H LYS 14 H LYS 14 -4.368 4.468 10.191 90 HA LYS 14 HA LYS 14 -4.764 3.189 12.654 91 HB2 LYS 14 2HB LYS 14 -4.874 5.585 12.517 92 HB3 LYS 14 3HB LYS 14 -6.203 5.512 11.367 93 HG2 LYS 14 2HG LYS 14 -7.690 4.671 13.056 94 HG3 LYS 14 3HG LYS 14 -6.363 4.547 14.215 95 HD2 LYS 14 2HD LYS 14 -6.084 7.100 13.726 96 HD3 LYS 14 3HD LYS 14 -7.755 6.977 13.170 97 HE2 LYS 14 2HE LYS 14 -8.286 7.328 15.319 98 HE3 LYS 14 3HE LYS 14 -7.852 5.635 15.544 99 HZ1 LYS 14 1HZ LYS 14 -6.796 7.304 17.099 100 HZ2 LYS 14 2HZ LYS 14 -5.860 7.808 15.784 101 HZ3 LYS 14 3HZ LYS 14 -5.745 6.214 16.341 102 H ARG 15 H ARG 15 -6.458 2.931 9.676 103 HA ARG 15 HA ARG 15 -8.884 1.887 10.871 104 HB2 ARG 15 2HB ARG 15 -7.959 2.483 8.094 105 HB3 ARG 15 3HB ARG 15 -9.283 1.347 8.315 106 HG2 ARG 15 2HG ARG 15 -9.800 3.628 9.924 107 HG3 ARG 15 3HG ARG 15 -9.362 4.175 8.304 108 HD2 ARG 15 2HD ARG 15 -11.228 3.320 7.371 109 HD3 ARG 15 3HD ARG 15 -11.212 1.891 8.402 110 HE ARG 15 HE ARG 15 -12.613 2.966 9.861 111 HH11 ARG 15 1HH1 ARG 15 -11.253 5.288 7.653 112 HH12 ARG 15 2HH1 ARG 15 -12.276 6.582 8.179 113 HH21 ARG 15 1HH2 ARG 15 -13.966 4.662 10.563 114 HH22 ARG 15 2HH2 ARG 15 -13.818 6.227 9.835 115 H CYS 16 H CYS 16 -6.508 0.593 8.539 116 HA CYS 16 HA CYS 16 -7.353 -2.082 8.785 117 HB2 CYS 16 2HB CYS 16 -5.419 -2.661 7.511 118 HB3 CYS 16 3HB CYS 16 -5.982 -1.108 6.905 119 HG CYS 16 HG CYS 16 -3.722 0.068 7.143 120 H SER 17 H SER 17 -5.529 -0.112 10.864 121 HA SER 17 HA SER 17 -3.749 -1.891 12.046 122 HB2 SER 17 2HB SER 17 -3.423 0.266 12.791 123 HB3 SER 17 3HB SER 17 -5.150 0.584 12.958 124 HG SER 17 HG SER 17 -3.557 -1.038 14.661 125 H ASN 18 H ASN 18 -7.191 -1.708 12.270 126 HA ASN 18 HA ASN 18 -7.246 -3.517 14.570 127 HB2 ASN 18 2HB ASN 18 -9.305 -1.800 13.218 128 HB3 ASN 18 3HB ASN 18 -9.805 -3.134 14.254 129 HD21 ASN 18 1HD2 ASN 18 -7.638 -0.332 14.232 130 HD22 ASN 18 2HD2 ASN 18 -7.892 0.094 15.887 131 H VAL 19 H VAL 19 -6.336 -4.367 11.918 132 HA VAL 19 HA VAL 19 -8.454 -6.278 11.196 133 HB VAL 19 HB VAL 19 -6.032 -5.405 9.614 134 HG11 VAL 19 1HG1 VAL 19 -7.010 -6.728 7.783 135 HG12 VAL 19 2HG1 VAL 19 -6.548 -7.730 9.160 136 HG13 VAL 19 3HG1 VAL 19 -8.244 -7.324 8.892 137 HG21 VAL 19 1HG2 VAL 19 -8.151 -3.895 9.942 138 HG22 VAL 19 2HG2 VAL 19 -7.406 -4.062 8.352 139 HG23 VAL 19 3HG2 VAL 19 -8.854 -4.988 8.748 140 H ALA 20 H ALA 20 -8.183 -8.391 11.555 141 HA ALA 20 HA ALA 20 -5.775 -9.279 12.897 142 HB1 ALA 20 1HB ALA 20 -8.243 -9.895 13.451 143 HB2 ALA 20 2HB ALA 20 -8.028 -11.106 12.186 144 HB3 ALA 20 3HB ALA 20 -6.978 -11.117 13.602 145 H VAL 21 H VAL 21 -4.101 -10.171 11.899 146 HA VAL 21 HA VAL 21 -3.990 -10.622 9.131 147 HB VAL 21 HB VAL 21 -2.161 -11.891 11.167 148 HG11 VAL 21 1HG1 VAL 21 -1.343 -12.741 9.251 149 HG12 VAL 21 2HG1 VAL 21 -2.136 -11.524 8.249 150 HG13 VAL 21 3HG1 VAL 21 -0.621 -11.142 9.070 151 HG21 VAL 21 1HG2 VAL 21 -2.540 -9.072 10.438 152 HG22 VAL 21 2HG2 VAL 21 -1.794 -9.786 11.869 153 HG23 VAL 21 3HG2 VAL 21 -0.869 -9.636 10.375 154 H GLY 22 H GLY 22 -4.718 -12.758 11.822 155 HA2 GLY 22 2HA GLY 22 -5.333 -14.877 9.859 156 HA3 GLY 22 3HA GLY 22 -4.533 -15.239 11.381 157 H VAL 23 H VAL 23 -7.518 -13.966 9.977 158 HA VAL 23 HA VAL 23 -9.692 -14.128 10.639 159 HB VAL 23 HB VAL 23 -8.777 -16.147 12.685 160 HG11 VAL 23 1HG1 VAL 23 -11.392 -15.352 11.504 161 HG12 VAL 23 2HG1 VAL 23 -11.143 -17.039 11.961 162 HG13 VAL 23 3HG1 VAL 23 -10.984 -15.764 13.169 163 HG21 VAL 23 1HG2 VAL 23 -9.559 -17.743 10.752 164 HG22 VAL 23 2HG2 VAL 23 -9.110 -16.376 9.731 165 HG23 VAL 23 3HG2 VAL 23 -7.910 -17.117 10.791 166 H GLY 24 H GLY 24 -11.133 -13.347 12.241 167 HA2 GLY 24 2HA GLY 24 -9.815 -11.628 14.189 168 HA3 GLY 24 3HA GLY 24 -11.511 -11.575 13.728 169 H GLY 25 H GLY 25 -11.828 -11.368 16.077 170 HA2 GLY 25 2HA GLY 25 -12.713 -12.327 17.978 171 HA3 GLY 25 3HA GLY 25 -12.554 -13.895 17.200 172 H LYS 26 H LYS 26 -10.903 -11.460 19.117 173 HA LYS 26 HA LYS 26 -9.058 -11.542 20.452 174 HB2 LYS 26 2HB LYS 26 -10.055 -14.381 20.723 175 HB3 LYS 26 3HB LYS 26 -8.780 -13.698 21.723 176 HG2 LYS 26 2HG LYS 26 -10.227 -12.613 23.026 177 HG3 LYS 26 3HG LYS 26 -11.191 -12.063 21.654 178 HD2 LYS 26 2HD LYS 26 -12.158 -14.370 21.521 179 HD3 LYS 26 3HD LYS 26 -11.324 -14.742 23.032 180 HE2 LYS 26 2HE LYS 26 -12.542 -12.942 24.149 181 HE3 LYS 26 3HE LYS 26 -13.363 -12.552 22.638 182 HZ1 LYS 26 1HZ LYS 26 -14.873 -14.089 23.079 183 HZ2 LYS 26 2HZ LYS 26 -14.129 -14.406 24.565 184 HZ3 LYS 26 3HZ LYS 26 -13.689 -15.292 23.193 185 H SER 27 H SER 27 -8.210 -11.524 17.961 186 HA SER 27 HA SER 27 -6.141 -13.619 17.836 187 HB2 SER 27 2HB SER 27 -7.331 -12.122 15.491 188 HB3 SER 27 3HB SER 27 -6.171 -13.448 15.417 189 HG SER 27 HG SER 27 -7.907 -14.651 16.603 190 H LYS 28 H LYS 28 -4.496 -12.581 15.942 191 HA LYS 28 HA LYS 28 -3.435 -10.204 17.298 192 HB2 LYS 28 2HB LYS 28 -2.211 -12.576 16.578 193 HB3 LYS 28 3HB LYS 28 -1.705 -11.467 15.310 194 HG2 LYS 28 2HG LYS 28 -1.434 -10.860 18.242 195 HG3 LYS 28 3HG LYS 28 -0.169 -11.631 17.282 196 HD2 LYS 28 2HD LYS 28 -0.073 -9.700 15.813 197 HD3 LYS 28 3HD LYS 28 -1.399 -8.937 16.695 198 HE2 LYS 28 2HE LYS 28 -0.076 -8.355 18.447 199 HE3 LYS 28 3HE LYS 28 0.951 -9.779 18.285 200 HZ1 LYS 28 1HZ LYS 28 1.977 -8.742 16.338 201 HZ2 LYS 28 2HZ LYS 28 2.176 -7.798 17.726 202 HZ3 LYS 28 3HZ LYS 28 1.028 -7.359 16.564 203 H LYS 29 H LYS 29 -3.580 -8.293 16.341 204 HA LYS 29 HA LYS 29 -4.215 -8.192 13.478 205 HB2 LYS 29 2HB LYS 29 -4.484 -6.049 15.595 206 HB3 LYS 29 3HB LYS 29 -4.994 -5.904 13.918 207 HG2 LYS 29 2HG LYS 29 -6.907 -6.991 14.286 208 HG3 LYS 29 3HG LYS 29 -6.127 -8.219 15.285 209 HD2 LYS 29 2HD LYS 29 -6.288 -6.900 17.222 210 HD3 LYS 29 3HD LYS 29 -6.614 -5.432 16.297 211 HE2 LYS 29 2HE LYS 29 -8.797 -5.797 16.463 212 HE3 LYS 29 3HE LYS 29 -8.611 -7.356 15.661 213 HZ1 LYS 29 1HZ LYS 29 -7.746 -7.668 18.286 214 HZ2 LYS 29 2HZ LYS 29 -9.128 -8.324 17.566 215 HZ3 LYS 29 3HZ LYS 29 -9.214 -6.833 18.358 216 H PHE 30 H PHE 30 -3.197 -6.579 12.141 217 HA PHE 30 HA PHE 30 -0.408 -6.133 12.926 218 HB2 PHE 30 2HB PHE 30 0.137 -6.042 10.625 219 HB3 PHE 30 3HB PHE 30 -1.021 -7.361 10.775 220 HD1 PHE 30 HD1 PHE 30 -0.471 -3.964 9.537 221 HD2 PHE 30 HD2 PHE 30 -3.234 -7.188 9.838 222 HE1 PHE 30 HE1 PHE 30 -1.889 -2.906 7.827 223 HE2 PHE 30 HE2 PHE 30 -4.654 -6.136 8.128 224 HZ PHE 30 HZ PHE 30 -3.983 -3.992 7.119 225 H GLY 31 H GLY 31 0.602 -4.107 12.609 226 HA2 GLY 31 2HA GLY 31 -1.277 -1.841 12.341 227 HA3 GLY 31 3HA GLY 31 -0.024 -1.870 13.573 228 H GLU 32 H GLU 32 0.472 0.235 12.492 229 HA GLU 32 HA GLU 32 1.397 0.525 9.909 230 HB2 GLU 32 2HB GLU 32 2.476 2.510 10.618 231 HB3 GLU 32 3HB GLU 32 1.067 2.331 11.655 232 HG2 GLU 32 2HG GLU 32 2.640 1.230 13.325 233 HG3 GLU 32 3HG GLU 32 3.949 1.862 12.330 234 H GLY 33 H GLY 33 3.005 -0.876 12.686 235 HA2 GLY 33 2HA GLY 33 5.634 -0.896 11.639 236 HA3 GLY 33 3HA GLY 33 5.029 -1.937 12.918 237 H ASN 34 H ASN 34 3.278 -3.566 11.869 238 HA ASN 34 HA ASN 34 4.782 -5.402 10.384 239 HB2 ASN 34 2HB ASN 34 1.896 -5.170 11.134 240 HB3 ASN 34 3HB ASN 34 2.367 -6.377 9.941 241 HD21 ASN 34 1HD2 ASN 34 1.353 -7.579 11.888 242 HD22 ASN 34 2HD2 ASN 34 2.489 -8.199 13.032 243 H PHE 35 H PHE 35 2.544 -2.895 9.395 244 HA PHE 35 HA PHE 35 2.112 -3.700 6.747 245 HB2 PHE 35 2HB PHE 35 0.732 -1.980 7.681 246 HB3 PHE 35 3HB PHE 35 2.128 -0.962 8.020 247 HD1 PHE 35 HD1 PHE 35 2.025 0.938 6.739 248 HD2 PHE 35 HD2 PHE 35 1.013 -2.799 4.971 249 HE1 PHE 35 HE1 PHE 35 1.744 2.049 4.561 250 HE2 PHE 35 HE2 PHE 35 0.731 -1.694 2.790 251 HZ PHE 35 HZ PHE 35 1.097 0.732 2.583 252 H ARG 36 H ARG 36 4.501 -1.403 8.054 253 HA ARG 36 HA ARG 36 5.796 -0.846 5.638 254 HB2 ARG 36 2HB ARG 36 7.079 -0.897 8.372 255 HB3 ARG 36 3HB ARG 36 7.603 0.028 6.973 256 HG2 ARG 36 2HG ARG 36 4.894 0.695 7.533 257 HG3 ARG 36 3HG ARG 36 5.829 0.802 9.026 258 HD2 ARG 36 2HD ARG 36 6.675 2.072 6.430 259 HD3 ARG 36 3HD ARG 36 5.737 2.910 7.666 260 HE ARG 36 HE ARG 36 8.084 1.784 8.783 261 HH11 ARG 36 1HH1 ARG 36 6.974 4.413 6.787 262 HH12 ARG 36 2HH1 ARG 36 8.283 5.464 7.215 263 HH21 ARG 36 1HH2 ARG 36 9.813 3.159 9.354 264 HH22 ARG 36 2HH2 ARG 36 9.898 4.749 8.676 265 H TRP 37 H TRP 37 6.343 -3.389 8.026 266 HA TRP 37 HA TRP 37 8.728 -4.415 6.961 267 HB2 TRP 37 2HB TRP 37 8.090 -5.110 9.146 268 HB3 TRP 37 3HB TRP 37 6.525 -5.691 8.582 269 HD1 TRP 37 HD1 TRP 37 10.113 -6.764 9.035 270 HE1 TRP 37 HE1 TRP 37 10.352 -9.243 8.387 271 HE3 TRP 37 HE3 TRP 37 5.527 -7.491 6.898 272 HZ2 TRP 37 HZ2 TRP 37 8.802 -11.242 7.135 273 HZ3 TRP 37 HZ3 TRP 37 4.983 -9.716 6.000 274 HH2 TRP 37 HH2 TRP 37 6.589 -11.551 6.116 275 H ALA 38 H ALA 38 5.364 -4.971 6.124 276 HA ALA 38 HA ALA 38 5.836 -7.200 4.415 277 HB1 ALA 38 1HB ALA 38 3.520 -6.526 3.518 278 HB2 ALA 38 2HB ALA 38 3.650 -7.052 5.197 279 HB3 ALA 38 3HB ALA 38 3.527 -5.334 4.817 280 H ILE 39 H ILE 39 5.044 -3.794 3.693 281 HA ILE 39 HA ILE 39 5.415 -3.979 0.921 282 HB ILE 39 HB ILE 39 4.240 -2.097 1.892 283 HG12 ILE 39 2HG1 ILE 39 6.787 -1.155 0.560 284 HG13 ILE 39 3HG1 ILE 39 5.394 -1.811 -0.290 285 HG21 ILE 39 1HG2 ILE 39 6.891 -1.207 3.017 286 HG22 ILE 39 2HG2 ILE 39 5.342 -0.381 3.179 287 HG23 ILE 39 3HG2 ILE 39 5.593 -1.944 3.956 288 HD11 ILE 39 1HD1 ILE 39 4.647 0.264 -0.451 289 HD12 ILE 39 2HD1 ILE 39 4.361 0.225 1.289 290 HD13 ILE 39 3HD1 ILE 39 5.881 0.861 0.659 291 H ARG 40 H ARG 40 7.668 -3.245 3.532 292 HA ARG 40 HA ARG 40 9.838 -2.430 1.935 293 HB2 ARG 40 2HB ARG 40 9.722 -2.025 4.358 294 HB3 ARG 40 3HB ARG 40 9.869 -3.752 4.654 295 HG2 ARG 40 2HG ARG 40 12.095 -3.793 4.145 296 HG3 ARG 40 3HG ARG 40 11.984 -2.405 3.059 297 HD2 ARG 40 2HD ARG 40 13.018 -1.385 4.805 298 HD3 ARG 40 3HD ARG 40 11.350 -1.184 5.336 299 HE ARG 40 HE ARG 40 12.314 -3.620 6.325 300 HH11 ARG 40 1HH1 ARG 40 12.814 -0.199 6.730 301 HH12 ARG 40 2HH1 ARG 40 13.315 -0.335 8.382 302 HH21 ARG 40 1HH2 ARG 40 12.974 -3.812 8.501 303 HH22 ARG 40 2HH2 ARG 40 13.407 -2.391 9.389 304 H MET 41 H MET 41 9.192 -5.587 3.468 305 HA MET 41 HA MET 41 11.357 -6.926 2.271 306 HB2 MET 41 2HB MET 41 10.143 -7.762 4.254 307 HB3 MET 41 3HB MET 41 8.739 -8.085 3.244 308 HG2 MET 41 2HG MET 41 9.603 -10.152 3.172 309 HG3 MET 41 3HG MET 41 10.601 -9.466 1.893 310 HE1 MET 41 1HE MET 41 10.191 -10.799 5.292 311 HE2 MET 41 2HE MET 41 11.805 -10.946 5.985 312 HE3 MET 41 3HE MET 41 10.950 -9.405 6.060 313 H ALA 42 H ALA 42 7.912 -6.830 1.380 314 HA ALA 42 HA ALA 42 8.009 -8.485 -0.844 315 HB1 ALA 42 1HB ALA 42 5.939 -7.622 0.196 316 HB2 ALA 42 2HB ALA 42 6.267 -6.046 -0.523 317 HB3 ALA 42 3HB ALA 42 5.957 -7.440 -1.558 318 H ASN 43 H ASN 43 8.981 -5.145 -0.490 319 HA ASN 43 HA ASN 43 9.159 -4.547 -3.263 320 HB2 ASN 43 2HB ASN 43 10.196 -3.276 -0.754 321 HB3 ASN 43 3HB ASN 43 10.783 -2.720 -2.318 322 HD21 ASN 43 1HD2 ASN 43 9.282 -1.215 -0.423 323 HD22 ASN 43 2HD2 ASN 43 7.796 -0.768 -1.180 324 H VAL 44 H VAL 44 11.699 -5.197 -0.842 325 HA VAL 44 HA VAL 44 13.823 -5.341 -2.671 326 HB VAL 44 HB VAL 44 15.031 -6.584 -0.879 327 HG11 VAL 44 1HG1 VAL 44 14.294 -4.622 0.893 328 HG12 VAL 44 2HG1 VAL 44 15.479 -4.445 -0.402 329 HG13 VAL 44 3HG1 VAL 44 13.807 -3.946 -0.662 330 HG21 VAL 44 1HG2 VAL 44 12.385 -6.374 0.553 331 HG22 VAL 44 2HG2 VAL 44 13.183 -7.858 0.037 332 HG23 VAL 44 3HG2 VAL 44 13.907 -6.862 1.299 333 H SER 45 H SER 45 11.554 -7.765 -1.525 334 HA SER 45 HA SER 45 12.881 -10.048 -2.494 335 HB2 SER 45 2HB SER 45 9.944 -9.515 -2.010 336 HB3 SER 45 3HB SER 45 10.594 -11.102 -2.423 337 HG SER 45 HG SER 45 10.333 -10.277 -0.059 338 H THR 46 H THR 46 10.984 -7.616 -4.071 339 HA THR 46 HA THR 46 10.763 -9.210 -6.514 340 HB THR 46 HB THR 46 9.392 -7.349 -7.378 341 HG1 THR 46 HG1 THR 46 9.651 -5.483 -6.426 342 HG21 THR 46 1HG2 THR 46 8.161 -9.069 -6.312 343 HG22 THR 46 2HG2 THR 46 7.522 -7.555 -5.672 344 HG23 THR 46 3HG2 THR 46 8.640 -8.519 -4.707 345 H GLY 47 H GLY 47 13.332 -8.119 -5.471 346 HA2 GLY 47 2HA GLY 47 15.238 -7.174 -6.332 347 HA3 GLY 47 3HA GLY 47 14.483 -7.352 -7.909 348 H ARG 48 H ARG 48 12.781 -5.482 -5.585 349 HA ARG 48 HA ARG 48 13.609 -3.027 -6.990 350 HB2 ARG 48 2HB ARG 48 11.102 -4.061 -6.884 351 HB3 ARG 48 3HB ARG 48 11.073 -3.005 -5.478 352 HG2 ARG 48 2HG ARG 48 11.527 -1.090 -6.792 353 HG3 ARG 48 3HG ARG 48 11.924 -2.073 -8.204 354 HD2 ARG 48 2HD ARG 48 9.268 -2.643 -7.192 355 HD3 ARG 48 3HD ARG 48 9.464 -0.940 -7.607 356 HE ARG 48 HE ARG 48 9.260 -3.118 -9.419 357 HH11 ARG 48 1HH1 ARG 48 10.812 -0.037 -8.954 358 HH12 ARG 48 2HH1 ARG 48 10.987 0.278 -10.648 359 HH21 ARG 48 1HH2 ARG 48 9.485 -2.716 -11.652 360 HH22 ARG 48 2HH2 ARG 48 10.231 -1.247 -12.183 361 H GLU 49 H GLU 49 14.225 -1.261 -5.832 362 HA GLU 49 HA GLU 49 15.361 -1.542 -3.332 363 HB2 GLU 49 2HB GLU 49 14.617 0.735 -5.058 364 HB3 GLU 49 3HB GLU 49 14.817 1.117 -3.353 365 HG2 GLU 49 2HG GLU 49 16.858 1.430 -4.739 366 HG3 GLU 49 3HG GLU 49 17.064 0.352 -3.360 367 HA PRO 50 HA PRO 50 12.203 -1.281 -0.302 368 HB2 PRO 50 2HB PRO 50 13.347 0.272 1.608 369 HB3 PRO 50 3HB PRO 50 13.853 -1.393 1.293 370 HG2 PRO 50 2HG PRO 50 15.095 1.171 0.373 371 HG3 PRO 50 3HG PRO 50 15.880 -0.291 0.999 372 HD2 PRO 50 2HD PRO 50 15.748 0.273 -1.646 373 HD3 PRO 50 3HD PRO 50 15.730 -1.389 -1.021 374 H GLY 51 H GLY 51 13.359 1.600 -1.797 375 HA2 GLY 51 2HA GLY 51 11.462 3.365 -0.522 376 HA3 GLY 51 3HA GLY 51 12.533 3.768 -1.856 377 H ASP 52 H ASP 52 9.860 1.459 -1.360 378 HA ASP 52 HA ASP 52 8.636 2.526 -3.820 379 HB2 ASP 52 2HB ASP 52 9.369 -0.187 -3.117 380 HB3 ASP 52 3HB ASP 52 7.644 -0.066 -3.453 381 H ILE 53 H ILE 53 7.348 3.981 -2.645 382 HA ILE 53 HA ILE 53 5.232 2.713 -1.030 383 HB ILE 53 HB ILE 53 4.949 5.044 -0.030 384 HG12 ILE 53 2HG1 ILE 53 7.790 5.396 -0.987 385 HG13 ILE 53 3HG1 ILE 53 6.409 6.109 -1.812 386 HG21 ILE 53 1HG2 ILE 53 5.788 3.381 1.382 387 HG22 ILE 53 2HG2 ILE 53 7.308 3.271 0.498 388 HG23 ILE 53 3HG2 ILE 53 6.970 4.683 1.498 389 HD11 ILE 53 1HD1 ILE 53 6.451 6.676 1.040 390 HD12 ILE 53 2HD1 ILE 53 7.868 7.280 0.180 391 HD13 ILE 53 3HD1 ILE 53 6.252 7.763 -0.335 392 HA PRO 54 HA PRO 54 3.274 4.500 -4.839 393 HB2 PRO 54 2HB PRO 54 1.654 2.367 -5.283 394 HB3 PRO 54 3HB PRO 54 3.309 2.460 -5.894 395 HG2 PRO 54 2HG PRO 54 2.260 1.043 -3.475 396 HG3 PRO 54 3HG PRO 54 3.436 0.481 -4.678 397 HD2 PRO 54 2HD PRO 54 4.174 1.446 -2.259 398 HD3 PRO 54 3HD PRO 54 5.170 1.652 -3.713 399 H GLU 55 H GLU 55 1.039 5.087 -5.169 400 HA GLU 55 HA GLU 55 -0.670 4.814 -2.794 401 HB2 GLU 55 2HB GLU 55 0.089 7.347 -4.233 402 HB3 GLU 55 3HB GLU 55 -1.391 7.234 -3.288 403 HG2 GLU 55 2HG GLU 55 -0.253 7.023 -1.286 404 HG3 GLU 55 3HG GLU 55 1.232 6.488 -2.070 405 H THR 56 H THR 56 -0.927 3.236 -5.028 406 HA THR 56 HA THR 56 -3.540 4.091 -6.005 407 HB THR 56 HB THR 56 -3.079 3.705 -8.307 408 HG1 THR 56 HG1 THR 56 -1.370 2.605 -8.996 409 HG21 THR 56 1HG2 THR 56 -0.702 5.240 -7.261 410 HG22 THR 56 2HG2 THR 56 -2.335 5.899 -7.360 411 HG23 THR 56 3HG2 THR 56 -1.486 5.419 -8.829 412 H LEU 57 H LEU 57 -4.936 2.418 -6.462 413 HA LEU 57 HA LEU 57 -4.501 -0.039 -5.180 414 HB2 LEU 57 2HB LEU 57 -6.680 1.230 -6.035 415 HB3 LEU 57 3HB LEU 57 -6.487 0.107 -7.380 416 HG LEU 57 HG LEU 57 -6.381 -1.112 -4.700 417 HD11 LEU 57 1HD1 LEU 57 -8.205 -0.124 -3.900 418 HD12 LEU 57 2HD1 LEU 57 -9.104 -0.974 -5.158 419 HD13 LEU 57 3HD1 LEU 57 -8.543 0.675 -5.436 420 HD21 LEU 57 1HD2 LEU 57 -7.505 -2.874 -5.768 421 HD22 LEU 57 2HD2 LEU 57 -6.377 -2.257 -6.976 422 HD23 LEU 57 3HD2 LEU 57 -8.087 -1.831 -7.067 423 H ASP 58 H ASP 58 -3.855 1.022 -8.423 424 HA ASP 58 HA ASP 58 -3.620 -1.551 -9.611 425 HB2 ASP 58 2HB ASP 58 -3.978 0.412 -10.995 426 HB3 ASP 58 3HB ASP 58 -2.467 1.122 -10.434 427 H GLN 59 H GLN 59 -1.329 0.665 -8.091 428 HA GLN 59 HA GLN 59 1.004 -0.809 -8.705 429 HB2 GLN 59 2HB GLN 59 0.292 1.475 -7.009 430 HB3 GLN 59 3HB GLN 59 1.619 0.509 -6.377 431 HG2 GLN 59 2HG GLN 59 2.948 1.685 -7.701 432 HG3 GLN 59 3HG GLN 59 2.238 0.800 -9.050 433 HE21 GLN 59 1HE2 GLN 59 1.614 3.616 -6.990 434 HE22 GLN 59 2HE2 GLN 59 0.983 4.616 -8.250 435 H LEU 60 H LEU 60 -1.095 -0.749 -5.845 436 HA LEU 60 HA LEU 60 0.379 -2.553 -4.284 437 HB2 LEU 60 2HB LEU 60 -2.409 -1.546 -4.307 438 HB3 LEU 60 3HB LEU 60 -2.087 -3.010 -3.381 439 HG LEU 60 HG LEU 60 -2.044 -0.916 -2.040 440 HD11 LEU 60 1HD1 LEU 60 0.517 -1.469 -1.318 441 HD12 LEU 60 2HD1 LEU 60 0.074 -2.936 -2.191 442 HD13 LEU 60 3HD1 LEU 60 -0.894 -2.401 -0.817 443 HD21 LEU 60 1HD2 LEU 60 -1.053 0.523 -3.784 444 HD22 LEU 60 2HD2 LEU 60 0.476 -0.334 -3.591 445 HD23 LEU 60 3HD2 LEU 60 -0.183 0.608 -2.253 446 H ARG 61 H ARG 61 -2.286 -3.090 -6.562 447 HA ARG 61 HA ARG 61 -2.562 -5.851 -6.152 448 HB2 ARG 61 2HB ARG 61 -4.234 -4.528 -7.346 449 HB3 ARG 61 3HB ARG 61 -3.087 -4.220 -8.644 450 HG2 ARG 61 2HG ARG 61 -3.351 -7.046 -8.190 451 HG3 ARG 61 3HG ARG 61 -4.929 -6.306 -8.461 452 HD2 ARG 61 2HD ARG 61 -4.394 -6.594 -10.632 453 HD3 ARG 61 3HD ARG 61 -3.499 -5.094 -10.394 454 HE ARG 61 HE ARG 61 -1.689 -6.976 -9.730 455 HH11 ARG 61 1HH1 ARG 61 -3.767 -6.565 -12.492 456 HH12 ARG 61 2HH1 ARG 61 -2.678 -7.344 -13.591 457 HH21 ARG 61 1HH2 ARG 61 -0.246 -8.003 -11.168 458 HH22 ARG 61 2HH2 ARG 61 -0.676 -8.162 -12.836 459 H LEU 62 H LEU 62 -0.440 -4.004 -8.276 460 HA LEU 62 HA LEU 62 0.573 -6.223 -9.720 461 HB2 LEU 62 2HB LEU 62 0.916 -3.414 -9.701 462 HB3 LEU 62 3HB LEU 62 2.515 -4.142 -9.550 463 HG LEU 62 HG LEU 62 2.091 -3.718 -11.863 464 HD11 LEU 62 1HD1 LEU 62 2.621 -5.790 -12.743 465 HD12 LEU 62 2HD1 LEU 62 1.559 -6.651 -11.628 466 HD13 LEU 62 3HD1 LEU 62 3.078 -5.969 -11.048 467 HD21 LEU 62 1HD2 LEU 62 -0.213 -3.506 -12.083 468 HD22 LEU 62 2HD2 LEU 62 -0.531 -5.059 -11.309 469 HD23 LEU 62 3HD2 LEU 62 0.137 -5.007 -12.942 470 H VAL 63 H VAL 63 1.826 -4.395 -6.940 471 HA VAL 63 HA VAL 63 4.230 -5.725 -6.584 472 HB VAL 63 HB VAL 63 2.426 -4.678 -4.397 473 HG11 VAL 63 1HG1 VAL 63 5.159 -5.768 -4.441 474 HG12 VAL 63 2HG1 VAL 63 4.959 -4.260 -3.547 475 HG13 VAL 63 3HG1 VAL 63 3.993 -5.673 -3.122 476 HG21 VAL 63 1HG2 VAL 63 2.865 -2.622 -5.108 477 HG22 VAL 63 2HG2 VAL 63 4.598 -2.941 -5.044 478 HG23 VAL 63 3HG2 VAL 63 3.690 -3.300 -6.513 479 H ILE 64 H ILE 64 0.998 -6.605 -5.457 480 HA ILE 64 HA ILE 64 1.757 -8.786 -3.847 481 HB ILE 64 HB ILE 64 -0.834 -8.352 -5.338 482 HG12 ILE 64 2HG1 ILE 64 -0.428 -7.889 -2.404 483 HG13 ILE 64 3HG1 ILE 64 0.067 -6.650 -3.554 484 HG21 ILE 64 1HG2 ILE 64 -1.231 -9.823 -2.971 485 HG22 ILE 64 2HG2 ILE 64 -1.436 -10.367 -4.635 486 HG23 ILE 64 3HG2 ILE 64 0.116 -10.581 -3.822 487 HD11 ILE 64 1HD1 ILE 64 -2.338 -6.687 -2.462 488 HD12 ILE 64 2HD1 ILE 64 -2.066 -6.123 -4.110 489 HD13 ILE 64 3HD1 ILE 64 -2.666 -7.756 -3.824 490 H CYS 65 H CYS 65 0.475 -8.754 -7.177 491 HA CYS 65 HA CYS 65 0.642 -11.453 -7.718 492 HB2 CYS 65 2HB CYS 65 -0.437 -9.947 -9.264 493 HB3 CYS 65 3HB CYS 65 1.077 -9.103 -9.567 494 HG CYS 65 HG CYS 65 2.209 -11.603 -10.628 495 H ASP 66 H ASP 66 3.186 -9.062 -7.635 496 HA ASP 66 HA ASP 66 5.168 -10.600 -8.961 497 HB2 ASP 66 2HB ASP 66 5.296 -8.239 -7.092 498 HB3 ASP 66 3HB ASP 66 6.750 -8.998 -7.734 499 H LEU 67 H LEU 67 4.826 -9.824 -5.493 500 HA LEU 67 HA LEU 67 6.761 -11.616 -4.581 501 HB2 LEU 67 2HB LEU 67 5.462 -9.715 -3.370 502 HB3 LEU 67 3HB LEU 67 4.321 -10.996 -2.968 503 HG LEU 67 HG LEU 67 6.194 -12.229 -1.876 504 HD11 LEU 67 1HD1 LEU 67 8.166 -10.725 -1.256 505 HD12 LEU 67 2HD1 LEU 67 7.669 -9.725 -2.620 506 HD13 LEU 67 3HD1 LEU 67 8.135 -11.405 -2.883 507 HD21 LEU 67 1HD2 LEU 67 5.102 -9.628 -0.979 508 HD22 LEU 67 2HD2 LEU 67 6.445 -10.295 -0.049 509 HD23 LEU 67 3HD2 LEU 67 4.964 -11.231 -0.255 510 H GLN 68 H GLN 68 3.255 -12.039 -4.934 511 HA GLN 68 HA GLN 68 3.104 -14.639 -3.897 512 HB2 GLN 68 2HB GLN 68 1.259 -12.876 -4.670 513 HB3 GLN 68 3HB GLN 68 1.286 -13.868 -6.122 514 HG2 GLN 68 2HG GLN 68 1.183 -15.620 -3.911 515 HG3 GLN 68 3HG GLN 68 -0.016 -14.356 -3.643 516 HE21 GLN 68 1HE2 GLN 68 -0.259 -17.238 -4.325 517 HE22 GLN 68 2HE2 GLN 68 -1.258 -17.283 -5.732 518 H GLU 69 H GLU 69 3.779 -13.458 -7.149 519 HA GLU 69 HA GLU 69 3.627 -15.883 -8.527 520 HB2 GLU 69 2HB GLU 69 3.766 -13.822 -9.749 521 HB3 GLU 69 3HB GLU 69 5.319 -13.434 -9.022 522 HG2 GLU 69 2HG GLU 69 6.435 -15.083 -10.265 523 HG3 GLU 69 3HG GLU 69 4.926 -15.859 -10.740 524 H ARG 70 H ARG 70 6.439 -14.311 -7.017 525 HA ARG 70 HA ARG 70 8.272 -16.371 -7.639 526 HB2 ARG 70 2HB ARG 70 8.246 -13.953 -5.954 527 HB3 ARG 70 3HB ARG 70 9.338 -15.220 -5.411 528 HG2 ARG 70 2HG ARG 70 10.251 -15.254 -7.772 529 HG3 ARG 70 3HG ARG 70 9.342 -13.765 -8.036 530 HD2 ARG 70 2HD ARG 70 10.692 -12.536 -6.666 531 HD3 ARG 70 3HD ARG 70 11.085 -13.914 -5.638 532 HE ARG 70 HE ARG 70 12.903 -14.326 -6.958 533 HH11 ARG 70 1HH1 ARG 70 10.709 -12.240 -8.678 534 HH12 ARG 70 2HH1 ARG 70 11.800 -11.964 -9.996 535 HH21 ARG 70 1HH2 ARG 70 14.347 -13.970 -8.687 536 HH22 ARG 70 2HH2 ARG 70 13.868 -12.949 -10.000 537 H ARG 71 H ARG 71 6.733 -15.552 -4.522 538 HA ARG 71 HA ARG 71 7.628 -17.706 -3.049 539 HB2 ARG 71 2HB ARG 71 6.452 -15.854 -2.018 540 HB3 ARG 71 3HB ARG 71 4.976 -16.267 -2.879 541 HG2 ARG 71 2HG ARG 71 4.829 -16.986 -0.582 542 HG3 ARG 71 3HG ARG 71 4.872 -18.391 -1.650 543 HD2 ARG 71 2HD ARG 71 7.524 -17.556 -0.818 544 HD3 ARG 71 3HD ARG 71 6.486 -17.943 0.554 545 HE ARG 71 HE ARG 71 6.114 -20.029 -1.140 546 HH11 ARG 71 1HH1 ARG 71 8.923 -18.520 0.257 547 HH12 ARG 71 2HH1 ARG 71 9.858 -19.978 0.276 548 HH21 ARG 71 1HH2 ARG 71 7.334 -21.956 -1.120 549 HH22 ARG 71 2HH2 ARG 71 8.954 -21.932 -0.508 550 H GLU 72 H GLU 72 5.042 -17.560 -5.401 551 HA GLU 72 HA GLU 72 3.803 -20.019 -4.752 552 HB2 GLU 72 2HB GLU 72 2.646 -18.373 -6.100 553 HB3 GLU 72 3HB GLU 72 3.885 -18.468 -7.344 554 HG2 GLU 72 2HG GLU 72 2.820 -21.076 -6.848 555 HG3 GLU 72 3HG GLU 72 1.507 -19.941 -7.155 556 H LYS 73 H LYS 73 6.112 -19.186 -7.338 557 HA LYS 73 HA LYS 73 6.459 -21.695 -8.431 558 HB2 LYS 73 2HB LYS 73 8.272 -19.322 -8.165 559 HB3 LYS 73 3HB LYS 73 8.876 -20.812 -8.877 560 HG2 LYS 73 2HG LYS 73 6.367 -20.166 -10.069 561 HG3 LYS 73 3HG LYS 73 7.421 -18.751 -10.123 562 HD2 LYS 73 2HD LYS 73 8.819 -19.700 -11.607 563 HD3 LYS 73 3HD LYS 73 8.738 -21.279 -10.820 564 HE2 LYS 73 2HE LYS 73 6.833 -21.905 -11.992 565 HE3 LYS 73 3HE LYS 73 6.400 -20.238 -12.373 566 HZ1 LYS 73 1HZ LYS 73 7.807 -22.028 -13.959 567 HZ2 LYS 73 2HZ LYS 73 8.921 -20.846 -13.484 568 HZ3 LYS 73 3HZ LYS 73 7.495 -20.395 -14.275 569 H PHE 74 H PHE 74 7.984 -20.296 -5.575 570 HA PHE 74 HA PHE 74 9.685 -22.586 -5.157 571 HB2 PHE 74 2HB PHE 74 9.105 -20.123 -3.513 572 HB3 PHE 74 3HB PHE 74 10.173 -21.407 -2.959 573 HD1 PHE 74 HD1 PHE 74 10.343 -18.279 -4.075 574 HD2 PHE 74 HD2 PHE 74 11.737 -22.132 -5.227 575 HE1 PHE 74 HE1 PHE 74 12.213 -17.236 -5.287 576 HE2 PHE 74 HE2 PHE 74 13.610 -21.095 -6.441 577 HZ PHE 74 HZ PHE 74 13.851 -18.644 -6.471 578 H GLY 75 H GLY 75 6.519 -21.572 -4.216 579 HA2 GLY 75 2HA GLY 75 5.197 -23.639 -3.508 580 HA3 GLY 75 3HA GLY 75 6.388 -23.738 -2.219 581 H SER 76 H SER 76 5.827 -22.859 -0.349 582 HA SER 76 HA SER 76 4.191 -20.451 -0.292 583 HB2 SER 76 2HB SER 76 2.821 -21.711 1.596 584 HB3 SER 76 3HB SER 76 2.357 -21.834 -0.101 585 HG SER 76 HG SER 76 3.986 -23.687 1.306 586 H SER 77 H SER 77 4.263 -19.334 1.709 587 HA SER 77 HA SER 77 5.822 -20.346 3.899 588 HB2 SER 77 2HB SER 77 7.809 -19.322 3.566 589 HB3 SER 77 3HB SER 77 7.308 -19.229 1.878 590 HG SER 77 HG SER 77 7.808 -17.231 3.526 591 H LYS 78 H LYS 78 5.397 -19.273 5.771 592 HA LYS 78 HA LYS 78 3.138 -17.634 5.934 593 HB2 LYS 78 2HB LYS 78 5.386 -18.107 7.894 594 HB3 LYS 78 3HB LYS 78 3.942 -17.183 8.288 595 HG2 LYS 78 2HG LYS 78 2.579 -19.184 7.746 596 HG3 LYS 78 3HG LYS 78 4.077 -20.091 7.520 597 HD2 LYS 78 2HD LYS 78 3.549 -18.598 10.067 598 HD3 LYS 78 3HD LYS 78 2.880 -20.212 9.807 599 HE2 LYS 78 2HE LYS 78 4.824 -20.948 10.638 600 HE3 LYS 78 3HE LYS 78 5.488 -20.540 9.056 601 HZ1 LYS 78 1HZ LYS 78 5.370 -18.303 10.853 602 HZ2 LYS 78 2HZ LYS 78 6.656 -18.862 9.909 603 HZ3 LYS 78 3HZ LYS 78 6.354 -19.554 11.423 604 H GLU 79 H GLU 79 6.583 -16.820 5.949 605 HA GLU 79 HA GLU 79 6.457 -14.132 6.562 606 HB2 GLU 79 2HB GLU 79 8.287 -15.399 4.518 607 HB3 GLU 79 3HB GLU 79 8.564 -13.884 5.365 608 HG2 GLU 79 2HG GLU 79 8.686 -15.092 7.486 609 HG3 GLU 79 3HG GLU 79 8.419 -16.611 6.631 610 H ILE 80 H ILE 80 6.430 -15.541 3.284 611 HA ILE 80 HA ILE 80 5.850 -13.093 1.986 612 HB ILE 80 HB ILE 80 5.389 -15.913 1.009 613 HG12 ILE 80 2HG1 ILE 80 7.741 -15.395 1.620 614 HG13 ILE 80 3HG1 ILE 80 7.535 -15.691 -0.103 615 HG21 ILE 80 1HG2 ILE 80 4.686 -13.379 -0.117 616 HG22 ILE 80 2HG2 ILE 80 5.914 -14.151 -1.119 617 HG23 ILE 80 3HG2 ILE 80 4.410 -14.998 -0.759 618 HD11 ILE 80 1HD1 ILE 80 8.287 -13.672 -0.627 619 HD12 ILE 80 2HD1 ILE 80 7.261 -12.887 0.574 620 HD13 ILE 80 3HD1 ILE 80 8.823 -13.553 1.048 621 H ASP 81 H ASP 81 3.800 -15.867 2.854 622 HA ASP 81 HA ASP 81 1.395 -15.012 1.810 623 HB2 ASP 81 2HB ASP 81 1.973 -17.213 3.022 624 HB3 ASP 81 3HB ASP 81 1.557 -16.352 4.501 625 H MET 82 H MET 82 2.988 -14.025 4.783 626 HA MET 82 HA MET 82 0.779 -12.556 5.823 627 HB2 MET 82 2HB MET 82 3.602 -12.989 6.530 628 HB3 MET 82 3HB MET 82 2.966 -11.418 6.998 629 HG2 MET 82 2HG MET 82 1.128 -12.537 8.184 630 HG3 MET 82 3HG MET 82 1.825 -14.097 7.754 631 HE1 MET 82 1HE MET 82 1.712 -11.081 9.713 632 HE2 MET 82 2HE MET 82 2.675 -11.403 11.155 633 HE3 MET 82 3HE MET 82 3.424 -10.658 9.742 634 H ALA 83 H ALA 83 3.829 -11.520 4.291 635 HA ALA 83 HA ALA 83 3.340 -8.798 4.195 636 HB1 ALA 83 1HB ALA 83 5.481 -9.275 3.572 637 HB2 ALA 83 2HB ALA 83 5.006 -10.663 2.594 638 HB3 ALA 83 3HB ALA 83 4.766 -9.029 1.978 639 H ILE 84 H ILE 84 2.164 -11.347 2.088 640 HA ILE 84 HA ILE 84 1.144 -9.657 0.049 641 HB ILE 84 HB ILE 84 0.307 -12.457 0.816 642 HG12 ILE 84 2HG1 ILE 84 1.974 -11.777 -1.571 643 HG13 ILE 84 3HG1 ILE 84 2.744 -11.834 0.011 644 HG21 ILE 84 1HG2 ILE 84 -0.212 -12.159 -1.854 645 HG22 ILE 84 2HG2 ILE 84 -1.408 -12.060 -0.562 646 HG23 ILE 84 3HG2 ILE 84 -0.676 -10.588 -1.200 647 HD11 ILE 84 1HD1 ILE 84 2.296 -14.109 0.270 648 HD12 ILE 84 2HD1 ILE 84 1.091 -14.108 -1.017 649 HD13 ILE 84 3HD1 ILE 84 2.801 -13.939 -1.411 650 H VAL 85 H VAL 85 -0.566 -11.475 2.604 651 HA VAL 85 HA VAL 85 -3.080 -10.333 2.188 652 HB VAL 85 HB VAL 85 -3.650 -11.085 4.448 653 HG11 VAL 85 1HG1 VAL 85 -2.083 -12.901 2.658 654 HG12 VAL 85 2HG1 VAL 85 -2.777 -13.505 4.164 655 HG13 VAL 85 3HG1 VAL 85 -3.825 -12.821 2.921 656 HG21 VAL 85 1HG2 VAL 85 -2.027 -12.007 5.949 657 HG22 VAL 85 2HG2 VAL 85 -0.740 -11.815 4.758 658 HG23 VAL 85 3HG2 VAL 85 -1.487 -10.393 5.486 659 H THR 86 H THR 86 -0.263 -9.041 3.676 660 HA THR 86 HA THR 86 -1.575 -7.085 5.301 661 HB THR 86 HB THR 86 1.284 -7.196 4.320 662 HG1 THR 86 HG1 THR 86 0.381 -7.746 6.944 663 HG21 THR 86 1HG2 THR 86 -0.116 -5.393 6.278 664 HG22 THR 86 2HG2 THR 86 0.916 -4.952 4.918 665 HG23 THR 86 3HG2 THR 86 1.622 -5.683 6.359 666 H LEU 87 H LEU 87 0.214 -6.912 2.222 667 HA LEU 87 HA LEU 87 -0.401 -4.171 1.776 668 HB2 LEU 87 2HB LEU 87 0.450 -6.270 -0.212 669 HB3 LEU 87 3HB LEU 87 0.510 -4.524 -0.448 670 HG LEU 87 HG LEU 87 2.118 -6.004 1.630 671 HD11 LEU 87 1HD1 LEU 87 2.904 -6.772 -0.470 672 HD12 LEU 87 2HD1 LEU 87 4.027 -5.523 0.067 673 HD13 LEU 87 3HD1 LEU 87 2.824 -5.155 -1.169 674 HD21 LEU 87 1HD2 LEU 87 1.591 -3.227 1.104 675 HD22 LEU 87 2HD2 LEU 87 3.307 -3.580 0.898 676 HD23 LEU 87 3HD2 LEU 87 2.503 -3.966 2.421 677 H LYS 88 H LYS 88 -2.062 -7.133 1.178 678 HA LYS 88 HA LYS 88 -3.780 -6.181 -0.894 679 HB2 LYS 88 2HB LYS 88 -3.784 -8.570 0.921 680 HB3 LYS 88 3HB LYS 88 -5.188 -8.215 -0.078 681 HG2 LYS 88 2HG LYS 88 -3.780 -8.307 -2.079 682 HG3 LYS 88 3HG LYS 88 -2.382 -8.685 -1.070 683 HD2 LYS 88 2HD LYS 88 -3.106 -10.814 -0.629 684 HD3 LYS 88 3HD LYS 88 -4.809 -10.390 -0.818 685 HE2 LYS 88 2HE LYS 88 -4.801 -10.919 -2.989 686 HE3 LYS 88 3HE LYS 88 -3.289 -10.059 -3.275 687 HZ1 LYS 88 1HZ LYS 88 -3.506 -12.684 -3.469 688 HZ2 LYS 88 2HZ LYS 88 -3.100 -12.579 -1.831 689 HZ3 LYS 88 3HZ LYS 88 -2.069 -11.922 -3.000 690 H VAL 89 H VAL 89 -4.413 -6.930 2.539 691 HA VAL 89 HA VAL 89 -6.984 -5.841 2.637 692 HB VAL 89 HB VAL 89 -6.141 -7.296 4.399 693 HG11 VAL 89 1HG1 VAL 89 -3.818 -6.144 4.304 694 HG12 VAL 89 2HG1 VAL 89 -4.502 -5.053 5.512 695 HG13 VAL 89 3HG1 VAL 89 -4.402 -6.784 5.840 696 HG21 VAL 89 1HG2 VAL 89 -6.551 -5.046 6.142 697 HG22 VAL 89 2HG2 VAL 89 -7.644 -4.962 4.761 698 HG23 VAL 89 3HG2 VAL 89 -7.628 -6.397 5.786 699 H PHE 90 H PHE 90 -3.828 -4.350 3.138 700 HA PHE 90 HA PHE 90 -4.785 -1.864 4.091 701 HB2 PHE 90 2HB PHE 90 -2.508 -2.355 4.519 702 HB3 PHE 90 3HB PHE 90 -2.188 -2.723 2.827 703 HD1 PHE 90 HD1 PHE 90 -1.777 -0.974 1.230 704 HD2 PHE 90 HD2 PHE 90 -2.667 -0.058 5.290 705 HE1 PHE 90 HE1 PHE 90 -1.014 1.338 0.872 706 HE2 PHE 90 HE2 PHE 90 -1.906 2.255 4.939 707 HZ PHE 90 HZ PHE 90 -1.078 2.956 2.728 708 H ALA 91 H ALA 91 -4.046 -3.088 0.867 709 HA ALA 91 HA ALA 91 -4.255 -0.686 -0.554 710 HB1 ALA 91 1HB ALA 91 -3.334 -2.716 -1.532 711 HB2 ALA 91 2HB ALA 91 -4.925 -3.477 -1.479 712 HB3 ALA 91 3HB ALA 91 -4.649 -2.083 -2.524 713 H VAL 92 H VAL 92 -6.733 -3.147 0.136 714 HA VAL 92 HA VAL 92 -8.833 -1.665 -1.112 715 HB VAL 92 HB VAL 92 -8.978 -4.090 -0.934 716 HG11 VAL 92 1HG1 VAL 92 -9.340 -3.746 2.035 717 HG12 VAL 92 2HG1 VAL 92 -9.211 -5.252 1.124 718 HG13 VAL 92 3HG1 VAL 92 -7.806 -4.198 1.291 719 HG21 VAL 92 1HG2 VAL 92 -11.183 -3.850 -0.995 720 HG22 VAL 92 2HG2 VAL 92 -11.237 -3.671 0.758 721 HG23 VAL 92 3HG2 VAL 92 -11.016 -2.253 -0.267 722 H ALA 93 H ALA 93 -7.795 -2.173 2.237 723 HA ALA 93 HA ALA 93 -9.909 -0.685 3.413 724 HB1 ALA 93 1HB ALA 93 -8.554 -2.379 4.614 725 HB2 ALA 93 2HB ALA 93 -7.191 -1.259 4.582 726 HB3 ALA 93 3HB ALA 93 -8.661 -0.835 5.460 727 H GLY 94 H GLY 94 -7.224 0.269 1.620 728 HA2 GLY 94 2HA GLY 94 -7.211 2.944 2.867 729 HA3 GLY 94 3HA GLY 94 -5.885 2.272 1.931 730 H LEU 95 H LEU 95 -6.559 1.665 -0.395 731 HA LEU 95 HA LEU 95 -7.323 4.027 -1.712 732 HB2 LEU 95 2HB LEU 95 -7.064 1.182 -2.650 733 HB3 LEU 95 3HB LEU 95 -7.477 2.508 -3.736 734 HG LEU 95 HG LEU 95 -5.166 2.118 -4.010 735 HD11 LEU 95 1HD1 LEU 95 -5.898 4.498 -3.740 736 HD12 LEU 95 2HD1 LEU 95 -4.191 4.202 -3.410 737 HD13 LEU 95 3HD1 LEU 95 -5.323 4.418 -2.074 738 HD21 LEU 95 1HD2 LEU 95 -3.582 1.912 -2.236 739 HD22 LEU 95 2HD2 LEU 95 -4.912 0.805 -1.899 740 HD23 LEU 95 3HD2 LEU 95 -4.794 2.335 -1.028 741 H LEU 96 H LEU 96 -9.151 1.304 -0.571 742 HA LEU 96 HA LEU 96 -11.565 2.374 -1.870 743 HB2 LEU 96 2HB LEU 96 -10.552 -0.281 -1.564 744 HB3 LEU 96 3HB LEU 96 -12.098 -0.151 -0.727 745 HG LEU 96 HG LEU 96 -11.649 0.553 -3.627 746 HD11 LEU 96 1HD1 LEU 96 -11.525 -1.945 -2.708 747 HD12 LEU 96 2HD1 LEU 96 -12.283 -1.534 -4.246 748 HD13 LEU 96 3HD1 LEU 96 -13.278 -1.779 -2.810 749 HD21 LEU 96 1HD2 LEU 96 -13.514 1.688 -2.304 750 HD22 LEU 96 2HD2 LEU 96 -14.264 0.093 -2.225 751 HD23 LEU 96 3HD2 LEU 96 -13.966 0.853 -3.790 752 H ASN 97 H ASN 97 -9.977 2.551 0.954 753 HA ASN 97 HA ASN 97 -10.527 2.963 3.128 754 HB2 ASN 97 2HB ASN 97 -11.673 4.841 1.842 755 HB3 ASN 97 3HB ASN 97 -13.168 3.932 2.036 756 HD21 ASN 97 1HD2 ASN 97 -10.415 4.744 4.129 757 HD22 ASN 97 2HD2 ASN 97 -11.370 5.363 5.428 758 H MET 98 H MET 98 -11.208 0.331 2.083 759 HA MET 98 HA MET 98 -13.743 -0.481 3.079 760 HB2 MET 98 2HB MET 98 -11.438 -1.728 1.818 761 HB3 MET 98 3HB MET 98 -12.123 -2.743 3.079 762 HG2 MET 98 2HG MET 98 -14.303 -1.781 1.621 763 HG3 MET 98 3HG MET 98 -13.084 -2.224 0.429 764 HE1 MET 98 1HE MET 98 -15.307 -4.852 3.384 765 HE2 MET 98 2HE MET 98 -15.183 -3.093 3.334 766 HE3 MET 98 3HE MET 98 -16.175 -3.942 2.147 767 H THR 99 H THR 99 -14.163 -1.849 4.903 768 HA THR 99 HA THR 99 -12.309 -1.350 7.139 769 HB THR 99 HB THR 99 -15.219 -2.024 7.491 770 HG1 THR 99 HG1 THR 99 -14.186 0.623 7.380 771 HG21 THR 99 1HG2 THR 99 -14.621 -0.402 9.512 772 HG22 THR 99 2HG2 THR 99 -12.996 -0.999 9.174 773 HG23 THR 99 3HG2 THR 99 -14.287 -2.133 9.573 774 H VAL 100 H VAL 100 -11.562 -3.452 5.705 775 HA VAL 100 HA VAL 100 -12.724 -5.925 6.085 776 HB VAL 100 HB VAL 100 -9.752 -5.389 6.129 777 HG11 VAL 100 1HG1 VAL 100 -11.404 -7.805 6.004 778 HG12 VAL 100 2HG1 VAL 100 -10.146 -7.717 4.768 779 HG13 VAL 100 3HG1 VAL 100 -9.717 -7.605 6.476 780 HG21 VAL 100 1HG2 VAL 100 -11.755 -5.206 3.978 781 HG22 VAL 100 2HG2 VAL 100 -10.179 -4.429 4.132 782 HG23 VAL 100 3HG2 VAL 100 -10.288 -6.101 3.581 783 H SER 101 H SER 101 -12.484 -7.578 7.606 784 HA SER 101 HA SER 101 -11.912 -6.623 10.310 785 HB2 SER 101 2HB SER 101 -13.097 -9.304 9.611 786 HB3 SER 101 3HB SER 101 -13.256 -8.390 11.110 787 HG SER 101 HG SER 101 -15.030 -7.673 10.254 788 H THR 102 H THR 102 -10.809 -8.923 7.930 789 HA THR 102 HA THR 102 -8.440 -9.433 9.557 790 HB THR 102 HB THR 102 -8.521 -11.802 9.375 791 HG1 THR 102 HG1 THR 102 -10.366 -12.791 8.274 792 HG21 THR 102 1HG2 THR 102 -9.851 -10.960 11.211 793 HG22 THR 102 2HG2 THR 102 -10.647 -12.374 10.521 794 HG23 THR 102 3HG2 THR 102 -11.246 -10.759 10.152 795 H ALA 103 H ALA 103 -6.597 -9.757 8.382 796 HA ALA 103 HA ALA 103 -6.380 -8.768 5.817 797 HB1 ALA 103 1HB ALA 103 -4.154 -9.423 5.853 798 HB2 ALA 103 2HB ALA 103 -4.555 -9.296 7.567 799 HB3 ALA 103 3HB ALA 103 -4.493 -10.879 6.791 800 H ALA 104 H ALA 104 -7.043 -12.052 6.864 801 HA ALA 104 HA ALA 104 -6.619 -13.370 4.420 802 HB1 ALA 104 1HB ALA 104 -8.771 -14.582 5.878 803 HB2 ALA 104 2HB ALA 104 -7.116 -15.149 5.651 804 HB3 ALA 104 3HB ALA 104 -7.502 -14.068 6.989 805 H ALA 105 H ALA 105 -9.655 -12.169 5.856 806 HA ALA 105 HA ALA 105 -11.351 -12.811 3.749 807 HB1 ALA 105 1HB ALA 105 -12.078 -10.304 5.013 808 HB2 ALA 105 2HB ALA 105 -12.902 -11.863 5.038 809 HB3 ALA 105 3HB ALA 105 -11.606 -11.532 6.188 810 H ALA 106 H ALA 106 -9.248 -10.029 4.202 811 HA ALA 106 HA ALA 106 -10.245 -8.403 2.145 812 HB1 ALA 106 1HB ALA 106 -8.209 -8.231 4.012 813 HB2 ALA 106 2HB ALA 106 -7.372 -8.185 2.459 814 HB3 ALA 106 3HB ALA 106 -8.640 -7.011 2.814 815 H GLU 107 H GLU 107 -7.501 -10.682 2.105 816 HA GLU 107 HA GLU 107 -6.792 -10.392 -0.562 817 HB2 GLU 107 2HB GLU 107 -5.381 -11.612 0.965 818 HB3 GLU 107 3HB GLU 107 -6.633 -12.819 1.229 819 HG2 GLU 107 2HG GLU 107 -5.889 -12.518 -1.572 820 HG3 GLU 107 3HG GLU 107 -4.556 -13.024 -0.537 821 H ASN 108 H ASN 108 -9.161 -12.590 0.899 822 HA ASN 108 HA ASN 108 -9.853 -14.011 -1.405 823 HB2 ASN 108 2HB ASN 108 -10.723 -13.897 1.267 824 HB3 ASN 108 3HB ASN 108 -12.154 -13.598 0.287 825 HD21 ASN 108 1HD2 ASN 108 -10.401 -15.934 1.734 826 HD22 ASN 108 2HD2 ASN 108 -10.850 -17.291 0.763 827 H MET 109 H MET 109 -11.029 -10.933 -0.152 828 HA MET 109 HA MET 109 -13.129 -10.636 -2.049 829 HB2 MET 109 2HB MET 109 -12.128 -9.204 0.201 830 HB3 MET 109 3HB MET 109 -12.220 -8.088 -1.154 831 HG2 MET 109 2HG MET 109 -14.496 -8.233 -1.306 832 HG3 MET 109 3HG MET 109 -14.548 -9.849 -0.605 833 HE1 MET 109 1HE MET 109 -16.335 -6.733 1.552 834 HE2 MET 109 2HE MET 109 -15.882 -6.668 -0.151 835 HE3 MET 109 3HE MET 109 -16.791 -8.047 0.467 836 H TYR 110 H TYR 110 -9.808 -9.407 -1.861 837 HA TYR 110 HA TYR 110 -9.801 -7.750 -4.076 838 HB2 TYR 110 2HB TYR 110 -7.888 -8.773 -2.307 839 HB3 TYR 110 3HB TYR 110 -7.325 -9.242 -3.907 840 HD1 TYR 110 HD1 TYR 110 -8.834 -6.215 -2.299 841 HD2 TYR 110 HD2 TYR 110 -5.854 -7.780 -4.901 842 HE1 TYR 110 HE1 TYR 110 -7.951 -3.944 -2.644 843 HE2 TYR 110 HE2 TYR 110 -4.962 -5.515 -5.251 844 HH TYR 110 HH TYR 110 -4.975 -3.378 -4.391 845 H SER 111 H SER 111 -9.298 -11.247 -3.909 846 HA SER 111 HA SER 111 -8.897 -11.456 -6.765 847 HB2 SER 111 2HB SER 111 -7.669 -12.974 -5.313 848 HB3 SER 111 3HB SER 111 -9.176 -13.577 -4.622 849 HG SER 111 HG SER 111 -8.401 -14.978 -6.233 850 H GLN 112 H GLN 112 -11.471 -11.968 -4.446 851 HA GLN 112 HA GLN 112 -13.243 -13.440 -6.025 852 HB2 GLN 112 2HB GLN 112 -13.686 -13.200 -3.690 853 HB3 GLN 112 3HB GLN 112 -13.734 -11.446 -3.816 854 HG2 GLN 112 2HG GLN 112 -15.963 -12.384 -3.569 855 HG3 GLN 112 3HG GLN 112 -15.774 -11.575 -5.124 856 HE21 GLN 112 1HE2 GLN 112 -17.750 -12.951 -5.468 857 HE22 GLN 112 2HE2 GLN 112 -17.495 -14.535 -6.109 858 H MET 113 H MET 113 -12.409 -10.067 -6.073 859 HA MET 113 HA MET 113 -14.653 -9.384 -7.794 860 HB2 MET 113 2HB MET 113 -12.819 -7.938 -6.092 861 HB3 MET 113 3HB MET 113 -12.869 -7.221 -7.697 862 HG2 MET 113 2HG MET 113 -15.466 -7.445 -7.346 863 HG3 MET 113 3HG MET 113 -15.004 -7.443 -5.646 864 HE1 MET 113 1HE MET 113 -13.618 -5.251 -4.503 865 HE2 MET 113 2HE MET 113 -14.716 -3.904 -4.796 866 HE3 MET 113 3HE MET 113 -15.361 -5.508 -4.446 867 H GLY 114 H GLY 114 -11.348 -10.310 -8.044 868 HA2 GLY 114 2HA GLY 114 -10.521 -11.110 -10.160 869 HA3 GLY 114 3HA GLY 114 -11.495 -9.882 -10.955 870 H LEU 115 H LEU 115 -9.652 -9.093 -8.119 871 HA LEU 115 HA LEU 115 -8.051 -7.247 -9.702 872 HB2 LEU 115 2HB LEU 115 -7.900 -7.540 -6.727 873 HB3 LEU 115 3HB LEU 115 -7.579 -6.119 -7.717 874 HG LEU 115 HG LEU 115 -10.328 -7.290 -7.323 875 HD11 LEU 115 1HD1 LEU 115 -9.960 -4.786 -6.009 876 HD12 LEU 115 2HD1 LEU 115 -8.745 -5.925 -5.431 877 HD13 LEU 115 3HD1 LEU 115 -10.456 -6.336 -5.328 878 HD21 LEU 115 1HD2 LEU 115 -11.144 -5.424 -8.411 879 HD22 LEU 115 2HD2 LEU 115 -9.671 -5.764 -9.323 880 HD23 LEU 115 3HD2 LEU 115 -9.684 -4.481 -8.113 881 H ASP 116 H ASP 116 -7.628 -10.012 -7.548 882 HA ASP 116 HA ASP 116 -4.852 -10.010 -7.350 883 HB2 ASP 116 2HB ASP 116 -5.028 -12.185 -6.525 884 HB3 ASP 116 3HB ASP 116 -6.619 -11.512 -6.182 885 H THR 117 H THR 117 -3.573 -12.017 -8.315 886 HA THR 117 HA THR 117 -2.991 -11.456 -10.951 887 HB THR 117 HB THR 117 -2.621 -14.190 -9.728 888 HG1 THR 117 HG1 THR 117 -1.416 -11.736 -9.143 889 HG21 THR 117 1HG2 THR 117 -1.374 -12.668 -11.978 890 HG22 THR 117 2HG2 THR 117 -1.895 -14.352 -11.915 891 HG23 THR 117 3HG2 THR 117 -0.416 -13.855 -11.095 892 H ARG 118 H ARG 118 -5.282 -13.794 -9.646 893 HA ARG 118 HA ARG 118 -5.894 -14.946 -12.203 894 HB2 ARG 118 2HB ARG 118 -6.682 -15.364 -9.415 895 HB3 ARG 118 3HB ARG 118 -8.004 -15.589 -10.552 896 HG2 ARG 118 2HG ARG 118 -6.629 -17.197 -11.805 897 HG3 ARG 118 3HG ARG 118 -5.345 -16.999 -10.610 898 HD2 ARG 118 2HD ARG 118 -6.347 -18.812 -9.694 899 HD3 ARG 118 3HD ARG 118 -7.370 -17.575 -8.965 900 HE ARG 118 HE ARG 118 -8.452 -18.337 -11.447 901 HH11 ARG 118 1HH1 ARG 118 -7.971 -19.562 -8.224 902 HH12 ARG 118 2HH1 ARG 118 -9.351 -20.608 -8.275 903 HH21 ARG 118 1HH2 ARG 118 -10.271 -19.710 -11.527 904 HH22 ARG 118 2HH2 ARG 118 -10.658 -20.692 -10.154 905 HA PRO 119 HA PRO 119 -9.029 -12.250 -13.664 906 HB2 PRO 119 2HB PRO 119 -10.861 -13.974 -14.685 907 HB3 PRO 119 3HB PRO 119 -9.294 -13.674 -15.448 908 HG2 PRO 119 2HG PRO 119 -10.138 -15.939 -13.680 909 HG3 PRO 119 3HG PRO 119 -9.175 -15.979 -15.168 910 HD2 PRO 119 2HD PRO 119 -8.058 -16.114 -12.704 911 HD3 PRO 119 3HD PRO 119 -7.242 -15.348 -14.083 912 H21 MYR 201 1H2 MYR 1 7.255 9.337 6.944 913 H22 MYR 201 2H2 MYR 1 7.451 8.991 5.237 914 H31 MYR 201 1H3 MYR 1 5.643 11.358 5.923 915 H32 MYR 201 2H3 MYR 1 5.050 9.769 6.414 916 H41 MYR 201 1H4 MYR 1 6.095 9.555 3.675 917 H42 MYR 201 2H4 MYR 1 5.029 10.961 3.751 918 H51 MYR 201 1H5 MYR 1 3.244 9.466 4.874 919 H52 MYR 201 2H5 MYR 1 4.306 8.079 4.616 920 H61 MYR 201 1H6 MYR 1 4.275 9.163 2.042 921 H62 MYR 201 2H6 MYR 1 2.675 9.653 2.607 922 H71 MYR 201 1H7 MYR 1 1.856 7.520 2.381 923 H72 MYR 201 2H7 MYR 1 3.133 6.857 3.403 924 H81 MYR 201 1H8 MYR 1 4.076 5.883 1.561 925 H82 MYR 201 2H8 MYR 1 4.444 7.486 0.921 926 H91 MYR 201 1H9 MYR 1 3.147 6.539 -0.827 927 H92 MYR 201 2H9 MYR 1 1.954 7.517 0.028 928 H101 MYR 201 1H10 MYR 1 1.048 5.254 -0.504 929 H102 MYR 201 2H10 MYR 1 1.068 5.519 1.232 930 H111 MYR 201 1H11 MYR 1 3.150 4.114 1.444 931 H112 MYR 201 2H11 MYR 1 3.265 3.997 -0.305 932 H121 MYR 201 1H12 MYR 1 0.641 3.030 0.200 933 H122 MYR 201 2H12 MYR 1 1.567 2.406 1.565 934 H131 MYR 201 1H13 MYR 1 3.355 1.798 -0.443 935 H132 MYR 201 2H13 MYR 1 1.873 1.788 -1.402 936 H141 MYR 201 1H14 MYR 1 2.317 -0.515 -0.501 937 H142 MYR 201 2H14 MYR 1 2.360 0.113 1.163 938 H143 MYR 201 3H14 MYR 1 0.832 0.122 0.254 Start of MODEL 10 1 H GLY 2 H GLY 2 8.184 13.991 4.059 2 HA2 GLY 2 2HA GLY 2 8.350 15.094 6.679 3 HA3 GLY 2 3HA GLY 2 8.974 15.822 5.207 4 H ASN 3 H ASN 3 7.356 16.900 3.793 5 HA ASN 3 HA ASN 3 5.364 18.276 5.462 6 HB2 ASN 3 2HB ASN 3 7.362 19.411 4.058 7 HB3 ASN 3 3HB ASN 3 6.111 19.396 2.818 8 HD21 ASN 3 1HD2 ASN 3 7.472 21.359 4.893 9 HD22 ASN 3 2HD2 ASN 3 6.131 22.335 5.377 10 H GLY 4 H GLY 4 3.499 17.156 5.234 11 HA2 GLY 4 2HA GLY 4 1.848 17.473 3.062 12 HA3 GLY 4 3HA GLY 4 2.690 15.959 2.764 13 H GLN 5 H GLN 5 -0.156 16.444 3.255 14 HA GLN 5 HA GLN 5 -0.460 14.709 5.615 15 HB2 GLN 5 2HB GLN 5 -2.116 17.091 4.800 16 HB3 GLN 5 3HB GLN 5 -2.729 15.857 5.893 17 HG2 GLN 5 2HG GLN 5 -1.934 17.362 7.399 18 HG3 GLN 5 3HG GLN 5 -0.502 16.356 7.188 19 HE21 GLN 5 1HE2 GLN 5 0.210 18.573 8.149 20 HE22 GLN 5 2HE2 GLN 5 0.796 19.708 6.985 21 H GLY 6 H GLY 6 -0.913 12.768 4.771 22 HA2 GLY 6 2HA GLY 6 -2.648 12.584 2.422 23 HA3 GLY 6 3HA GLY 6 -1.687 11.281 3.104 24 H ARG 7 H ARG 7 -4.764 12.399 2.701 25 HA ARG 7 HA ARG 7 -5.979 11.765 5.173 26 HB2 ARG 7 2HB ARG 7 -7.175 11.739 2.394 27 HB3 ARG 7 3HB ARG 7 -8.083 11.734 3.901 28 HG2 ARG 7 2HG ARG 7 -6.243 13.928 3.892 29 HG3 ARG 7 3HG ARG 7 -7.217 13.948 2.420 30 HD2 ARG 7 2HD ARG 7 -9.154 13.447 4.174 31 HD3 ARG 7 3HD ARG 7 -8.034 14.275 5.253 32 HE ARG 7 HE ARG 7 -8.579 16.236 4.226 33 HH11 ARG 7 1HH1 ARG 7 -9.452 13.599 2.127 34 HH12 ARG 7 2HH1 ARG 7 -10.229 14.615 0.959 35 HH21 ARG 7 1HH2 ARG 7 -9.599 17.585 2.694 36 HH22 ARG 7 2HH2 ARG 7 -10.312 16.881 1.281 37 H ASP 8 H ASP 8 -5.878 9.919 2.120 38 HA ASP 8 HA ASP 8 -7.040 7.581 3.165 39 HB2 ASP 8 2HB ASP 8 -5.173 7.928 0.809 40 HB3 ASP 8 3HB ASP 8 -6.100 6.469 1.150 41 H TRP 9 H TRP 9 -3.802 8.814 3.281 42 HA TRP 9 HA TRP 9 -2.436 6.403 3.816 43 HB2 TRP 9 2HB TRP 9 -1.176 8.336 3.155 44 HB3 TRP 9 3HB TRP 9 -1.792 9.270 4.516 45 HD1 TRP 9 HD1 TRP 9 -0.286 9.343 6.590 46 HE1 TRP 9 HE1 TRP 9 1.768 8.029 7.416 47 HE3 TRP 9 HE3 TRP 9 -0.124 5.734 2.973 48 HZ2 TRP 9 HZ2 TRP 9 3.260 5.763 6.636 49 HZ3 TRP 9 HZ3 TRP 9 1.649 4.031 3.085 50 HH2 TRP 9 HH2 TRP 9 3.305 4.048 4.879 51 H LYS 10 H LYS 10 -3.478 8.974 6.061 52 HA LYS 10 HA LYS 10 -2.867 7.529 8.405 53 HB2 LYS 10 2HB LYS 10 -4.203 10.040 7.718 54 HB3 LYS 10 3HB LYS 10 -4.873 9.269 9.150 55 HG2 LYS 10 2HG LYS 10 -2.620 9.179 10.130 56 HG3 LYS 10 3HG LYS 10 -1.988 10.016 8.710 57 HD2 LYS 10 2HD LYS 10 -3.487 11.915 9.202 58 HD3 LYS 10 3HD LYS 10 -4.035 11.080 10.658 59 HE2 LYS 10 2HE LYS 10 -2.061 11.426 11.764 60 HE3 LYS 10 3HE LYS 10 -1.113 11.480 10.279 61 HZ1 LYS 10 1HZ LYS 10 -2.686 13.614 11.551 62 HZ2 LYS 10 2HZ LYS 10 -2.426 13.656 9.880 63 HZ3 LYS 10 3HZ LYS 10 -1.108 13.665 10.942 64 H MET 11 H MET 11 -5.854 7.889 6.543 65 HA MET 11 HA MET 11 -7.537 6.499 8.327 66 HB2 MET 11 2HB MET 11 -7.688 7.520 5.593 67 HB3 MET 11 3HB MET 11 -8.615 6.044 5.824 68 HG2 MET 11 2HG MET 11 -10.192 7.586 6.362 69 HG3 MET 11 3HG MET 11 -9.484 7.315 7.952 70 HE1 MET 11 1HE MET 11 -9.608 10.597 5.117 71 HE2 MET 11 2HE MET 11 -10.776 9.370 5.609 72 HE3 MET 11 3HE MET 11 -10.695 10.907 6.471 73 H ALA 12 H ALA 12 -5.401 5.433 5.757 74 HA ALA 12 HA ALA 12 -6.346 2.779 5.553 75 HB1 ALA 12 1HB ALA 12 -4.161 2.317 4.482 76 HB2 ALA 12 2HB ALA 12 -4.986 3.723 3.807 77 HB3 ALA 12 3HB ALA 12 -3.638 3.944 4.923 78 H ILE 13 H ILE 13 -3.550 4.129 7.308 79 HA ILE 13 HA ILE 13 -2.872 1.679 8.570 80 HB ILE 13 HB ILE 13 -2.167 4.492 9.417 81 HG12 ILE 13 2HG1 ILE 13 -1.476 3.927 7.099 82 HG13 ILE 13 3HG1 ILE 13 -0.106 4.178 8.175 83 HG21 ILE 13 1HG2 ILE 13 -1.843 2.877 11.206 84 HG22 ILE 13 2HG2 ILE 13 -0.907 1.846 10.125 85 HG23 ILE 13 3HG2 ILE 13 -0.289 3.432 10.585 86 HD11 ILE 13 1HD1 ILE 13 -1.197 1.462 7.503 87 HD12 ILE 13 2HD1 ILE 13 0.096 2.248 6.598 88 HD13 ILE 13 3HD1 ILE 13 0.325 1.853 8.301 89 H LYS 14 H LYS 14 -4.771 4.488 9.572 90 HA LYS 14 HA LYS 14 -5.168 3.860 12.245 91 HB2 LYS 14 2HB LYS 14 -5.866 5.989 11.311 92 HB3 LYS 14 3HB LYS 14 -7.058 5.189 10.295 93 HG2 LYS 14 2HG LYS 14 -8.473 4.752 12.074 94 HG3 LYS 14 3HG LYS 14 -7.185 4.918 13.268 95 HD2 LYS 14 2HD LYS 14 -7.129 7.293 12.977 96 HD3 LYS 14 3HD LYS 14 -8.226 7.201 11.598 97 HE2 LYS 14 2HE LYS 14 -9.795 6.038 13.375 98 HE3 LYS 14 3HE LYS 14 -8.795 6.945 14.509 99 HZ1 LYS 14 1HZ LYS 14 -10.709 7.916 12.529 100 HZ2 LYS 14 2HZ LYS 14 -9.338 8.867 12.808 101 HZ3 LYS 14 3HZ LYS 14 -10.379 8.490 14.086 102 H ARG 15 H ARG 15 -6.991 2.791 9.399 103 HA ARG 15 HA ARG 15 -8.807 1.202 10.969 104 HB2 ARG 15 2HB ARG 15 -8.344 1.479 8.002 105 HB3 ARG 15 3HB ARG 15 -9.517 0.357 8.679 106 HG2 ARG 15 2HG ARG 15 -10.641 2.273 9.777 107 HG3 ARG 15 3HG ARG 15 -9.518 3.354 8.948 108 HD2 ARG 15 2HD ARG 15 -10.566 3.130 6.967 109 HD3 ARG 15 3HD ARG 15 -10.888 1.415 7.218 110 HE ARG 15 HE ARG 15 -12.964 1.970 7.982 111 HH11 ARG 15 1HH1 ARG 15 -10.922 4.785 8.151 112 HH12 ARG 15 2HH1 ARG 15 -12.206 5.849 8.620 113 HH21 ARG 15 1HH2 ARG 15 -14.663 3.362 8.598 114 HH22 ARG 15 2HH2 ARG 15 -14.334 5.038 8.874 115 H CYS 16 H CYS 16 -5.921 0.651 9.033 116 HA CYS 16 HA CYS 16 -5.974 -2.115 8.837 117 HB2 CYS 16 2HB CYS 16 -3.831 -0.051 8.837 118 HB3 CYS 16 3HB CYS 16 -3.335 -1.726 9.056 119 HG CYS 16 HG CYS 16 -3.291 -2.258 6.556 120 H SER 17 H SER 17 -4.771 -0.077 11.469 121 HA SER 17 HA SER 17 -3.619 -2.043 13.061 122 HB2 SER 17 2HB SER 17 -4.465 0.704 13.381 123 HB3 SER 17 3HB SER 17 -4.816 -0.224 14.838 124 HG SER 17 HG SER 17 -2.717 0.587 14.940 125 H ASN 18 H ASN 18 -6.952 -1.335 12.453 126 HA ASN 18 HA ASN 18 -7.831 -3.031 14.668 127 HB2 ASN 18 2HB ASN 18 -8.878 -0.712 13.700 128 HB3 ASN 18 3HB ASN 18 -9.856 -1.900 12.843 129 HD21 ASN 18 1HD2 ASN 18 -11.746 -1.685 13.885 130 HD22 ASN 18 2HD2 ASN 18 -11.973 -1.977 15.573 131 H VAL 19 H VAL 19 -6.446 -4.061 12.262 132 HA VAL 19 HA VAL 19 -8.578 -5.796 11.197 133 HB VAL 19 HB VAL 19 -5.908 -5.150 9.938 134 HG11 VAL 19 1HG1 VAL 19 -6.315 -7.156 8.976 135 HG12 VAL 19 2HG1 VAL 19 -8.045 -7.092 9.318 136 HG13 VAL 19 3HG1 VAL 19 -7.380 -6.194 7.952 137 HG21 VAL 19 1HG2 VAL 19 -7.301 -3.963 8.246 138 HG22 VAL 19 2HG2 VAL 19 -8.692 -4.180 9.309 139 HG23 VAL 19 3HG2 VAL 19 -7.318 -3.212 9.842 140 H ALA 20 H ALA 20 -8.592 -7.673 12.250 141 HA ALA 20 HA ALA 20 -6.379 -8.749 13.646 142 HB1 ALA 20 1HB ALA 20 -8.733 -10.376 12.748 143 HB2 ALA 20 2HB ALA 20 -7.772 -10.533 14.219 144 HB3 ALA 20 3HB ALA 20 -8.877 -9.172 14.028 145 H VAL 21 H VAL 21 -4.635 -9.664 12.803 146 HA VAL 21 HA VAL 21 -4.269 -10.306 10.120 147 HB VAL 21 HB VAL 21 -2.772 -11.576 12.412 148 HG11 VAL 21 1HG1 VAL 21 -0.938 -11.727 10.848 149 HG12 VAL 21 2HG1 VAL 21 -2.364 -12.503 10.157 150 HG13 VAL 21 3HG1 VAL 21 -1.882 -10.896 9.613 151 HG21 VAL 21 1HG2 VAL 21 -1.295 -9.413 11.484 152 HG22 VAL 21 2HG2 VAL 21 -2.944 -8.800 11.614 153 HG23 VAL 21 3HG2 VAL 21 -2.159 -9.521 13.018 154 H GLY 22 H GLY 22 -5.699 -12.144 12.685 155 HA2 GLY 22 2HA GLY 22 -5.610 -14.604 11.084 156 HA3 GLY 22 3HA GLY 22 -6.071 -14.493 12.776 157 H VAL 23 H VAL 23 -8.161 -14.711 13.188 158 HA VAL 23 HA VAL 23 -10.130 -13.658 11.307 159 HB VAL 23 HB VAL 23 -10.240 -16.515 12.283 160 HG11 VAL 23 1HG1 VAL 23 -12.202 -16.735 10.922 161 HG12 VAL 23 2HG1 VAL 23 -12.424 -15.352 11.996 162 HG13 VAL 23 3HG1 VAL 23 -12.012 -15.095 10.301 163 HG21 VAL 23 1HG2 VAL 23 -8.574 -16.499 10.633 164 HG22 VAL 23 2HG2 VAL 23 -10.039 -16.982 9.779 165 HG23 VAL 23 3HG2 VAL 23 -9.442 -15.329 9.642 166 H GLY 24 H GLY 24 -9.719 -15.482 14.344 167 HA2 GLY 24 2HA GLY 24 -11.226 -13.503 15.798 168 HA3 GLY 24 3HA GLY 24 -12.088 -15.022 15.597 169 H GLY 25 H GLY 25 -8.703 -14.154 16.333 170 HA2 GLY 25 2HA GLY 25 -8.604 -16.284 18.309 171 HA3 GLY 25 3HA GLY 25 -7.260 -15.281 17.787 172 H LYS 26 H LYS 26 -6.493 -13.980 19.298 173 HA LYS 26 HA LYS 26 -8.365 -12.736 21.187 174 HB2 LYS 26 2HB LYS 26 -7.128 -14.797 22.125 175 HB3 LYS 26 3HB LYS 26 -5.694 -13.779 22.100 176 HG2 LYS 26 2HG LYS 26 -6.559 -12.318 23.705 177 HG3 LYS 26 3HG LYS 26 -8.206 -12.912 23.485 178 HD2 LYS 26 2HD LYS 26 -7.868 -14.284 25.204 179 HD3 LYS 26 3HD LYS 26 -6.690 -15.149 24.214 180 HE2 LYS 26 2HE LYS 26 -5.065 -13.272 24.997 181 HE3 LYS 26 3HE LYS 26 -6.246 -13.037 26.284 182 HZ1 LYS 26 1HZ LYS 26 -4.318 -15.130 25.940 183 HZ2 LYS 26 2HZ LYS 26 -5.870 -15.726 26.243 184 HZ3 LYS 26 3HZ LYS 26 -5.152 -14.649 27.332 185 H SER 27 H SER 27 -7.999 -10.966 19.626 186 HA SER 27 HA SER 27 -7.076 -8.972 19.038 187 HB2 SER 27 2HB SER 27 -7.162 -8.659 21.520 188 HB3 SER 27 3HB SER 27 -5.501 -9.243 21.608 189 HG SER 27 HG SER 27 -5.087 -7.185 21.352 190 H LYS 28 H LYS 28 -6.010 -9.934 17.239 191 HA LYS 28 HA LYS 28 -3.094 -9.841 17.490 192 HB2 LYS 28 2HB LYS 28 -4.724 -12.130 16.438 193 HB3 LYS 28 3HB LYS 28 -3.112 -11.830 15.802 194 HG2 LYS 28 2HG LYS 28 -2.439 -11.813 18.327 195 HG3 LYS 28 3HG LYS 28 -3.945 -12.716 18.521 196 HD2 LYS 28 2HD LYS 28 -3.090 -14.567 17.577 197 HD3 LYS 28 3HD LYS 28 -2.258 -13.653 16.316 198 HE2 LYS 28 2HE LYS 28 -0.626 -12.966 18.172 199 HE3 LYS 28 3HE LYS 28 -1.338 -14.282 19.103 200 HZ1 LYS 28 1HZ LYS 28 -0.181 -14.647 16.397 201 HZ2 LYS 28 2HZ LYS 28 -0.637 -15.850 17.495 202 HZ3 LYS 28 3HZ LYS 28 0.703 -14.872 17.822 203 H LYS 29 H LYS 29 -4.257 -7.715 16.552 204 HA LYS 29 HA LYS 29 -4.567 -7.912 13.657 205 HB2 LYS 29 2HB LYS 29 -4.836 -5.488 15.442 206 HB3 LYS 29 3HB LYS 29 -5.324 -5.606 13.757 207 HG2 LYS 29 2HG LYS 29 -7.303 -6.430 14.314 208 HG3 LYS 29 3HG LYS 29 -6.568 -7.676 15.324 209 HD2 LYS 29 2HD LYS 29 -6.666 -4.884 16.356 210 HD3 LYS 29 3HD LYS 29 -8.155 -5.832 16.349 211 HE2 LYS 29 2HE LYS 29 -6.585 -7.655 17.436 212 HE3 LYS 29 3HE LYS 29 -5.641 -6.237 17.894 213 HZ1 LYS 29 1HZ LYS 29 -7.017 -6.110 19.622 214 HZ2 LYS 29 2HZ LYS 29 -8.132 -7.188 18.948 215 HZ3 LYS 29 3HZ LYS 29 -8.188 -5.547 18.538 216 H PHE 30 H PHE 30 -3.425 -6.406 12.246 217 HA PHE 30 HA PHE 30 -0.648 -6.075 13.120 218 HB2 PHE 30 2HB PHE 30 -0.028 -6.099 10.826 219 HB3 PHE 30 3HB PHE 30 -1.230 -7.371 11.016 220 HD1 PHE 30 HD1 PHE 30 -0.560 -4.046 9.635 221 HD2 PHE 30 HD2 PHE 30 -3.394 -7.201 9.990 222 HE1 PHE 30 HE1 PHE 30 -1.900 -3.039 7.834 223 HE2 PHE 30 HE2 PHE 30 -4.739 -6.201 8.189 224 HZ PHE 30 HZ PHE 30 -3.992 -4.117 7.108 225 H GLY 31 H GLY 31 0.329 -4.129 13.266 226 HA2 GLY 31 2HA GLY 31 -1.368 -1.773 12.795 227 HA3 GLY 31 3HA GLY 31 0.006 -1.839 13.890 228 H GLU 32 H GLU 32 0.500 0.209 12.712 229 HA GLU 32 HA GLU 32 1.191 0.321 10.019 230 HB2 GLU 32 2HB GLU 32 2.298 2.353 10.504 231 HB3 GLU 32 3HB GLU 32 0.975 2.248 11.657 232 HG2 GLU 32 2HG GLU 32 2.725 1.229 13.243 233 HG3 GLU 32 3HG GLU 32 3.908 1.900 12.122 234 H GLY 33 H GLY 33 2.979 -0.881 12.777 235 HA2 GLY 33 2HA GLY 33 5.547 -0.963 11.626 236 HA3 GLY 33 3HA GLY 33 4.986 -1.981 12.944 237 H ASN 34 H ASN 34 3.171 -3.605 11.957 238 HA ASN 34 HA ASN 34 4.615 -5.502 10.499 239 HB2 ASN 34 2HB ASN 34 1.713 -5.176 11.184 240 HB3 ASN 34 3HB ASN 34 2.214 -6.459 10.086 241 HD21 ASN 34 1HD2 ASN 34 1.661 -5.671 13.245 242 HD22 ASN 34 2HD2 ASN 34 2.540 -6.947 14.010 243 H PHE 35 H PHE 35 2.334 -3.032 9.453 244 HA PHE 35 HA PHE 35 1.934 -3.858 6.823 245 HB2 PHE 35 2HB PHE 35 0.559 -2.111 7.648 246 HB3 PHE 35 3HB PHE 35 1.948 -1.124 8.092 247 HD1 PHE 35 HD1 PHE 35 1.827 0.823 6.868 248 HD2 PHE 35 HD2 PHE 35 1.112 -2.896 4.924 249 HE1 PHE 35 HE1 PHE 35 1.694 1.984 4.703 250 HE2 PHE 35 HE2 PHE 35 0.979 -1.740 2.756 251 HZ PHE 35 HZ PHE 35 1.270 0.703 2.643 252 H ARG 36 H ARG 36 4.404 -1.659 8.133 253 HA ARG 36 HA ARG 36 5.694 -1.110 5.707 254 HB2 ARG 36 2HB ARG 36 7.036 -1.241 8.408 255 HB3 ARG 36 3HB ARG 36 7.509 -0.267 7.022 256 HG2 ARG 36 2HG ARG 36 4.841 0.413 7.666 257 HG3 ARG 36 3HG ARG 36 5.772 0.406 9.164 258 HD2 ARG 36 2HD ARG 36 7.504 1.782 7.892 259 HD3 ARG 36 3HD ARG 36 6.256 2.005 6.667 260 HE ARG 36 HE ARG 36 5.428 2.688 9.341 261 HH11 ARG 36 1HH1 ARG 36 6.918 3.821 6.404 262 HH12 ARG 36 2HH1 ARG 36 6.545 5.486 6.704 263 HH21 ARG 36 1HH2 ARG 36 4.931 4.878 9.745 264 HH22 ARG 36 2HH2 ARG 36 5.415 6.086 8.604 265 H TRP 37 H TRP 37 6.206 -3.672 8.089 266 HA TRP 37 HA TRP 37 8.537 -4.772 6.997 267 HB2 TRP 37 2HB TRP 37 7.894 -5.474 9.175 268 HB3 TRP 37 3HB TRP 37 6.302 -5.982 8.620 269 HD1 TRP 37 HD1 TRP 37 9.842 -7.212 9.032 270 HE1 TRP 37 HE1 TRP 37 9.972 -9.690 8.353 271 HE3 TRP 37 HE3 TRP 37 5.215 -7.718 6.919 272 HZ2 TRP 37 HZ2 TRP 37 8.330 -11.607 7.088 273 HZ3 TRP 37 HZ3 TRP 37 4.572 -9.906 5.997 274 HH2 TRP 37 HH2 TRP 37 6.099 -11.809 6.080 275 H ALA 38 H ALA 38 5.161 -5.187 6.148 276 HA ALA 38 HA ALA 38 5.557 -7.421 4.420 277 HB1 ALA 38 1HB ALA 38 3.379 -7.231 5.196 278 HB2 ALA 38 2HB ALA 38 3.308 -5.498 4.873 279 HB3 ALA 38 3HB ALA 38 3.257 -6.647 3.536 280 H ILE 39 H ILE 39 4.820 -3.997 3.720 281 HA ILE 39 HA ILE 39 5.198 -4.161 0.952 282 HB ILE 39 HB ILE 39 5.498 -1.699 1.019 283 HG12 ILE 39 2HG1 ILE 39 5.355 -2.117 4.013 284 HG13 ILE 39 3HG1 ILE 39 6.746 -1.524 3.111 285 HG21 ILE 39 1HG2 ILE 39 3.238 -2.725 2.732 286 HG22 ILE 39 2HG2 ILE 39 3.273 -1.193 1.860 287 HG23 ILE 39 3HG2 ILE 39 3.268 -2.713 0.969 288 HD11 ILE 39 1HD1 ILE 39 5.937 0.463 3.793 289 HD12 ILE 39 2HD1 ILE 39 4.934 0.286 2.354 290 HD13 ILE 39 3HD1 ILE 39 4.284 -0.134 3.938 291 H ARG 40 H ARG 40 7.470 -3.611 3.573 292 HA ARG 40 HA ARG 40 9.660 -2.768 2.010 293 HB2 ARG 40 2HB ARG 40 9.624 -2.431 4.415 294 HB3 ARG 40 3HB ARG 40 9.587 -4.168 4.686 295 HG2 ARG 40 2HG ARG 40 11.843 -3.601 3.074 296 HG3 ARG 40 3HG ARG 40 11.833 -2.457 4.417 297 HD2 ARG 40 2HD ARG 40 11.514 -5.435 4.740 298 HD3 ARG 40 3HD ARG 40 13.058 -4.594 4.864 299 HE ARG 40 HE ARG 40 11.256 -3.361 6.604 300 HH11 ARG 40 1HH1 ARG 40 12.889 -6.412 6.220 301 HH12 ARG 40 2HH1 ARG 40 12.924 -6.755 7.918 302 HH21 ARG 40 1HH2 ARG 40 11.296 -3.802 8.842 303 HH22 ARG 40 2HH2 ARG 40 12.018 -5.269 9.408 304 H MET 41 H MET 41 8.970 -5.970 3.430 305 HA MET 41 HA MET 41 11.082 -7.309 2.152 306 HB2 MET 41 2HB MET 41 9.720 -8.123 4.123 307 HB3 MET 41 3HB MET 41 8.458 -8.552 2.976 308 HG2 MET 41 2HG MET 41 9.658 -10.527 3.402 309 HG3 MET 41 3HG MET 41 10.164 -9.980 1.804 310 HE1 MET 41 1HE MET 41 13.225 -10.235 1.465 311 HE2 MET 41 2HE MET 41 13.303 -11.556 2.630 312 HE3 MET 41 3HE MET 41 11.872 -11.356 1.619 313 H ALA 42 H ALA 42 7.664 -6.958 1.255 314 HA ALA 42 HA ALA 42 7.718 -8.559 -1.043 315 HB1 ALA 42 1HB ALA 42 5.612 -7.943 -0.153 316 HB2 ALA 42 2HB ALA 42 5.981 -6.222 -0.284 317 HB3 ALA 42 3HB ALA 42 5.725 -7.183 -1.741 318 H ASN 43 H ASN 43 8.794 -5.295 -0.485 319 HA ASN 43 HA ASN 43 8.938 -4.543 -3.240 320 HB2 ASN 43 2HB ASN 43 9.908 -3.375 -0.661 321 HB3 ASN 43 3HB ASN 43 10.552 -2.755 -2.178 322 HD21 ASN 43 1HD2 ASN 43 8.976 -1.337 -0.267 323 HD22 ASN 43 2HD2 ASN 43 7.522 -0.852 -1.064 324 H VAL 44 H VAL 44 11.485 -5.210 -0.829 325 HA VAL 44 HA VAL 44 13.610 -5.285 -2.655 326 HB VAL 44 HB VAL 44 13.390 -6.726 -0.007 327 HG11 VAL 44 1HG1 VAL 44 15.986 -6.213 -0.223 328 HG12 VAL 44 2HG1 VAL 44 15.265 -7.688 -0.870 329 HG13 VAL 44 3HG1 VAL 44 15.605 -6.328 -1.940 330 HG21 VAL 44 1HG2 VAL 44 15.009 -4.336 -0.039 331 HG22 VAL 44 2HG2 VAL 44 13.350 -3.989 -0.525 332 HG23 VAL 44 3HG2 VAL 44 13.671 -4.772 1.023 333 H SER 45 H SER 45 11.424 -7.801 -1.517 334 HA SER 45 HA SER 45 12.785 -10.018 -2.576 335 HB2 SER 45 2HB SER 45 11.051 -10.430 -0.993 336 HB3 SER 45 3HB SER 45 9.866 -9.548 -1.956 337 HG SER 45 HG SER 45 11.129 -11.989 -2.674 338 H THR 46 H THR 46 10.794 -7.602 -4.054 339 HA THR 46 HA THR 46 10.572 -9.143 -6.532 340 HB THR 46 HB THR 46 9.121 -7.306 -7.321 341 HG1 THR 46 HG1 THR 46 9.048 -5.478 -6.255 342 HG21 THR 46 1HG2 THR 46 8.503 -8.692 -4.735 343 HG22 THR 46 2HG2 THR 46 7.885 -9.026 -6.353 344 HG23 THR 46 3HG2 THR 46 7.331 -7.601 -5.473 345 H GLY 47 H GLY 47 13.129 -8.026 -5.538 346 HA2 GLY 47 2HA GLY 47 14.981 -6.983 -6.404 347 HA3 GLY 47 3HA GLY 47 14.196 -7.139 -7.968 348 H ARG 48 H ARG 48 12.490 -5.392 -5.553 349 HA ARG 48 HA ARG 48 13.133 -2.887 -6.956 350 HB2 ARG 48 2HB ARG 48 10.653 -4.079 -6.083 351 HB3 ARG 48 3HB ARG 48 10.859 -2.491 -5.357 352 HG2 ARG 48 2HG ARG 48 10.236 -1.527 -7.246 353 HG3 ARG 48 3HG ARG 48 11.559 -2.316 -8.106 354 HD2 ARG 48 2HD ARG 48 9.916 -4.384 -8.002 355 HD3 ARG 48 3HD ARG 48 8.705 -3.111 -7.859 356 HE ARG 48 HE ARG 48 10.342 -2.434 -9.992 357 HH11 ARG 48 1HH1 ARG 48 8.151 -4.997 -9.127 358 HH12 ARG 48 2HH1 ARG 48 7.697 -5.338 -10.764 359 HH21 ARG 48 1HH2 ARG 48 9.753 -2.873 -12.151 360 HH22 ARG 48 2HH2 ARG 48 8.610 -4.131 -12.483 361 H GLU 49 H GLU 49 13.852 -1.131 -5.854 362 HA GLU 49 HA GLU 49 15.234 -1.407 -3.480 363 HB2 GLU 49 2HB GLU 49 14.361 0.826 -5.166 364 HB3 GLU 49 3HB GLU 49 14.565 1.262 -3.476 365 HG2 GLU 49 2HG GLU 49 16.690 1.613 -4.074 366 HG3 GLU 49 3HG GLU 49 16.833 -0.134 -3.894 367 HA PRO 50 HA PRO 50 12.386 -1.204 -0.151 368 HB2 PRO 50 2HB PRO 50 13.692 0.357 1.645 369 HB3 PRO 50 3HB PRO 50 14.187 -1.298 1.272 370 HG2 PRO 50 2HG PRO 50 15.296 1.287 0.249 371 HG3 PRO 50 3HG PRO 50 16.160 -0.165 0.786 372 HD2 PRO 50 2HD PRO 50 15.760 0.407 -1.830 373 HD3 PRO 50 3HD PRO 50 15.826 -1.258 -1.216 374 H GLY 51 H GLY 51 13.334 1.689 -1.755 375 HA2 GLY 51 2HA GLY 51 11.481 3.384 -0.294 376 HA3 GLY 51 3HA GLY 51 12.504 3.870 -1.637 377 H ASP 52 H ASP 52 10.001 1.361 -1.289 378 HA ASP 52 HA ASP 52 8.692 2.494 -3.671 379 HB2 ASP 52 2HB ASP 52 9.328 -0.239 -2.864 380 HB3 ASP 52 3HB ASP 52 7.638 -0.043 -3.321 381 H ILE 53 H ILE 53 7.505 4.010 -2.410 382 HA ILE 53 HA ILE 53 5.314 2.788 -0.862 383 HB ILE 53 HB ILE 53 5.166 5.048 0.292 384 HG12 ILE 53 2HG1 ILE 53 8.044 5.382 -0.496 385 HG13 ILE 53 3HG1 ILE 53 6.767 6.039 -1.515 386 HG21 ILE 53 1HG2 ILE 53 7.254 4.493 1.728 387 HG22 ILE 53 2HG2 ILE 53 5.932 3.329 1.636 388 HG23 ILE 53 3HG2 ILE 53 7.389 3.086 0.672 389 HD11 ILE 53 1HD1 ILE 53 7.235 6.706 1.381 390 HD12 ILE 53 2HD1 ILE 53 7.635 7.721 -0.004 391 HD13 ILE 53 3HD1 ILE 53 5.950 7.360 0.366 392 HA PRO 54 HA PRO 54 3.511 4.923 -4.568 393 HB2 PRO 54 2HB PRO 54 1.766 2.927 -5.154 394 HB3 PRO 54 3HB PRO 54 3.431 2.953 -5.747 395 HG2 PRO 54 2HG PRO 54 2.270 1.458 -3.428 396 HG3 PRO 54 3HG PRO 54 3.421 0.900 -4.656 397 HD2 PRO 54 2HD PRO 54 4.193 1.666 -2.175 398 HD3 PRO 54 3HD PRO 54 5.216 1.898 -3.608 399 H GLU 55 H GLU 55 0.915 4.812 -5.032 400 HA GLU 55 HA GLU 55 -0.653 4.810 -2.613 401 HB2 GLU 55 2HB GLU 55 0.618 7.213 -3.412 402 HB3 GLU 55 3HB GLU 55 -1.091 7.390 -3.784 403 HG2 GLU 55 2HG GLU 55 -0.397 6.302 -1.122 404 HG3 GLU 55 3HG GLU 55 -0.058 8.007 -1.416 405 H THR 56 H THR 56 -0.587 3.603 -5.329 406 HA THR 56 HA THR 56 -3.300 4.389 -6.168 407 HB THR 56 HB THR 56 -2.775 4.038 -8.462 408 HG1 THR 56 HG1 THR 56 -0.784 3.201 -9.124 409 HG21 THR 56 1HG2 THR 56 -2.032 6.201 -7.493 410 HG22 THR 56 2HG2 THR 56 -1.080 5.705 -8.893 411 HG23 THR 56 3HG2 THR 56 -0.426 5.510 -7.266 412 H LEU 57 H LEU 57 -4.747 2.776 -6.494 413 HA LEU 57 HA LEU 57 -4.406 0.293 -5.311 414 HB2 LEU 57 2HB LEU 57 -6.568 1.418 -5.909 415 HB3 LEU 57 3HB LEU 57 -6.306 0.891 -7.570 416 HG LEU 57 HG LEU 57 -6.236 -1.486 -6.595 417 HD11 LEU 57 1HD1 LEU 57 -7.140 -1.895 -4.499 418 HD12 LEU 57 2HD1 LEU 57 -7.858 -0.289 -4.382 419 HD13 LEU 57 3HD1 LEU 57 -6.113 -0.488 -4.218 420 HD21 LEU 57 1HD2 LEU 57 -8.051 -0.990 -7.955 421 HD22 LEU 57 2HD2 LEU 57 -8.663 0.249 -6.858 422 HD23 LEU 57 3HD2 LEU 57 -8.812 -1.458 -6.435 423 H ASP 58 H ASP 58 -3.669 1.344 -8.551 424 HA ASP 58 HA ASP 58 -3.421 -1.227 -9.725 425 HB2 ASP 58 2HB ASP 58 -2.727 1.552 -10.470 426 HB3 ASP 58 3HB ASP 58 -1.779 0.288 -11.249 427 H GLN 59 H GLN 59 -1.171 0.924 -8.071 428 HA GLN 59 HA GLN 59 1.173 -0.560 -8.636 429 HB2 GLN 59 2HB GLN 59 0.428 1.726 -6.985 430 HB3 GLN 59 3HB GLN 59 1.656 0.719 -6.228 431 HG2 GLN 59 2HG GLN 59 3.114 1.900 -7.418 432 HG3 GLN 59 3HG GLN 59 2.579 0.933 -8.791 433 HE21 GLN 59 1HE2 GLN 59 1.862 3.904 -7.016 434 HE22 GLN 59 2HE2 GLN 59 1.322 4.804 -8.389 435 H LEU 60 H LEU 60 -1.089 -0.576 -5.911 436 HA LEU 60 HA LEU 60 0.322 -2.410 -4.307 437 HB2 LEU 60 2HB LEU 60 -2.414 -1.311 -4.410 438 HB3 LEU 60 3HB LEU 60 -2.234 -2.855 -3.581 439 HG LEU 60 HG LEU 60 -2.163 -0.859 -2.089 440 HD11 LEU 60 1HD1 LEU 60 -0.795 -1.934 -0.658 441 HD12 LEU 60 2HD1 LEU 60 0.525 -2.035 -1.822 442 HD13 LEU 60 3HD1 LEU 60 -0.813 -3.180 -1.907 443 HD21 LEU 60 1HD2 LEU 60 -0.765 0.415 -3.893 444 HD22 LEU 60 2HD2 LEU 60 0.606 -0.330 -3.071 445 HD23 LEU 60 3HD2 LEU 60 -0.494 0.722 -2.178 446 H ARG 61 H ARG 61 -2.387 -2.906 -6.564 447 HA ARG 61 HA ARG 61 -2.604 -5.672 -6.263 448 HB2 ARG 61 2HB ARG 61 -4.346 -4.482 -7.385 449 HB3 ARG 61 3HB ARG 61 -3.230 -3.870 -8.598 450 HG2 ARG 61 2HG ARG 61 -3.498 -6.808 -8.369 451 HG3 ARG 61 3HG ARG 61 -4.859 -5.915 -9.050 452 HD2 ARG 61 2HD ARG 61 -2.316 -5.032 -10.130 453 HD3 ARG 61 3HD ARG 61 -2.587 -6.753 -10.397 454 HE ARG 61 HE ARG 61 -3.995 -4.567 -11.619 455 HH11 ARG 61 1HH1 ARG 61 -4.154 -7.925 -10.718 456 HH12 ARG 61 2HH1 ARG 61 -5.349 -8.323 -11.907 457 HH21 ARG 61 1HH2 ARG 61 -5.568 -5.077 -13.190 458 HH22 ARG 61 2HH2 ARG 61 -6.152 -6.703 -13.314 459 H LEU 62 H LEU 62 -0.466 -3.735 -8.267 460 HA LEU 62 HA LEU 62 0.532 -5.876 -9.842 461 HB2 LEU 62 2HB LEU 62 0.664 -3.393 -10.337 462 HB3 LEU 62 3HB LEU 62 1.991 -3.329 -9.179 463 HG LEU 62 HG LEU 62 3.130 -5.078 -10.653 464 HD11 LEU 62 1HD1 LEU 62 0.787 -4.325 -12.342 465 HD12 LEU 62 2HD1 LEU 62 1.521 -5.907 -12.077 466 HD13 LEU 62 3HD1 LEU 62 2.328 -4.720 -13.103 467 HD21 LEU 62 1HD2 LEU 62 3.780 -3.278 -12.336 468 HD22 LEU 62 2HD2 LEU 62 4.035 -2.913 -10.630 469 HD23 LEU 62 3HD2 LEU 62 2.649 -2.231 -11.480 470 H VAL 63 H VAL 63 1.783 -4.218 -6.956 471 HA VAL 63 HA VAL 63 4.172 -5.604 -6.672 472 HB VAL 63 HB VAL 63 2.378 -4.568 -4.471 473 HG11 VAL 63 1HG1 VAL 63 4.878 -4.347 -3.500 474 HG12 VAL 63 2HG1 VAL 63 3.835 -5.739 -3.204 475 HG13 VAL 63 3HG1 VAL 63 5.056 -5.805 -4.477 476 HG21 VAL 63 1HG2 VAL 63 3.859 -3.215 -6.483 477 HG22 VAL 63 2HG2 VAL 63 2.945 -2.527 -5.141 478 HG23 VAL 63 3HG2 VAL 63 4.649 -2.931 -4.932 479 H ILE 64 H ILE 64 0.914 -6.490 -5.662 480 HA ILE 64 HA ILE 64 1.618 -8.739 -4.110 481 HB ILE 64 HB ILE 64 -0.946 -8.210 -5.616 482 HG12 ILE 64 2HG1 ILE 64 -0.508 -7.830 -2.667 483 HG13 ILE 64 3HG1 ILE 64 -0.091 -6.554 -3.807 484 HG21 ILE 64 1HG2 ILE 64 -1.723 -9.727 -3.575 485 HG22 ILE 64 2HG2 ILE 64 -1.218 -10.409 -5.120 486 HG23 ILE 64 3HG2 ILE 64 -0.088 -10.358 -3.767 487 HD11 ILE 64 1HD1 ILE 64 -2.804 -7.767 -3.928 488 HD12 ILE 64 2HD1 ILE 64 -2.428 -6.607 -2.653 489 HD13 ILE 64 3HD1 ILE 64 -2.275 -6.138 -4.347 490 H CYS 65 H CYS 65 0.328 -8.580 -7.434 491 HA CYS 65 HA CYS 65 0.503 -11.258 -8.073 492 HB2 CYS 65 2HB CYS 65 0.376 -8.736 -9.571 493 HB3 CYS 65 3HB CYS 65 1.148 -10.048 -10.452 494 HG CYS 65 HG CYS 65 -1.221 -10.564 -11.401 495 H ASP 66 H ASP 66 3.035 -8.868 -7.893 496 HA ASP 66 HA ASP 66 5.014 -10.317 -9.317 497 HB2 ASP 66 2HB ASP 66 5.264 -8.147 -7.225 498 HB3 ASP 66 3HB ASP 66 6.613 -8.773 -8.171 499 H LEU 67 H LEU 67 4.683 -9.756 -5.808 500 HA LEU 67 HA LEU 67 6.629 -11.614 -5.032 501 HB2 LEU 67 2HB LEU 67 5.306 -9.749 -3.718 502 HB3 LEU 67 3HB LEU 67 4.268 -11.107 -3.290 503 HG LEU 67 HG LEU 67 6.328 -12.258 -2.403 504 HD11 LEU 67 1HD1 LEU 67 8.166 -10.627 -1.764 505 HD12 LEU 67 2HD1 LEU 67 7.483 -9.546 -2.978 506 HD13 LEU 67 3HD1 LEU 67 8.099 -11.128 -3.455 507 HD21 LEU 67 1HD2 LEU 67 5.355 -9.683 -1.183 508 HD22 LEU 67 2HD2 LEU 67 6.399 -10.828 -0.340 509 HD23 LEU 67 3HD2 LEU 67 4.786 -11.321 -0.857 510 H GLN 68 H GLN 68 3.104 -11.952 -5.310 511 HA GLN 68 HA GLN 68 2.906 -14.586 -4.399 512 HB2 GLN 68 2HB GLN 68 1.088 -12.776 -5.064 513 HB3 GLN 68 3HB GLN 68 1.108 -13.653 -6.587 514 HG2 GLN 68 2HG GLN 68 0.884 -15.282 -4.137 515 HG3 GLN 68 3HG GLN 68 -0.502 -14.273 -4.549 516 HE21 GLN 68 1HE2 GLN 68 -1.462 -16.475 -4.714 517 HE22 GLN 68 2HE2 GLN 68 -1.377 -17.270 -6.245 518 H GLU 69 H GLU 69 3.743 -13.290 -7.548 519 HA GLU 69 HA GLU 69 3.503 -15.682 -9.024 520 HB2 GLU 69 2HB GLU 69 4.742 -13.031 -9.424 521 HB3 GLU 69 3HB GLU 69 5.441 -14.341 -10.366 522 HG2 GLU 69 2HG GLU 69 2.571 -14.440 -10.478 523 HG3 GLU 69 3HG GLU 69 3.161 -12.848 -10.955 524 H ARG 70 H ARG 70 6.364 -14.118 -7.587 525 HA ARG 70 HA ARG 70 8.171 -16.177 -8.250 526 HB2 ARG 70 2HB ARG 70 8.182 -13.815 -6.460 527 HB3 ARG 70 3HB ARG 70 9.347 -15.080 -6.091 528 HG2 ARG 70 2HG ARG 70 10.377 -13.431 -7.497 529 HG3 ARG 70 3HG ARG 70 10.190 -14.933 -8.405 530 HD2 ARG 70 2HD ARG 70 7.892 -13.169 -8.663 531 HD3 ARG 70 3HD ARG 70 9.388 -12.419 -9.217 532 HE ARG 70 HE ARG 70 9.036 -15.070 -10.235 533 HH11 ARG 70 1HH1 ARG 70 8.178 -11.727 -10.689 534 HH12 ARG 70 2HH1 ARG 70 7.871 -11.900 -12.385 535 HH21 ARG 70 1HH2 ARG 70 8.635 -15.312 -12.468 536 HH22 ARG 70 2HH2 ARG 70 8.129 -13.940 -13.396 537 H ARG 71 H ARG 71 6.654 -15.405 -5.113 538 HA ARG 71 HA ARG 71 7.594 -17.552 -3.658 539 HB2 ARG 71 2HB ARG 71 6.382 -15.720 -2.620 540 HB3 ARG 71 3HB ARG 71 4.910 -16.178 -3.464 541 HG2 ARG 71 2HG ARG 71 4.824 -16.894 -1.156 542 HG3 ARG 71 3HG ARG 71 4.866 -18.293 -2.231 543 HD2 ARG 71 2HD ARG 71 7.521 -17.415 -1.448 544 HD3 ARG 71 3HD ARG 71 6.518 -17.835 -0.060 545 HE ARG 71 HE ARG 71 6.152 -19.912 -1.765 546 HH11 ARG 71 1HH1 ARG 71 8.961 -18.361 -0.417 547 HH12 ARG 71 2HH1 ARG 71 9.925 -19.800 -0.431 548 HH21 ARG 71 1HH2 ARG 71 7.410 -21.814 -1.789 549 HH22 ARG 71 2HH2 ARG 71 9.042 -21.765 -1.213 550 H GLU 72 H GLU 72 4.991 -17.436 -5.995 551 HA GLU 72 HA GLU 72 3.807 -19.926 -5.360 552 HB2 GLU 72 2HB GLU 72 2.577 -18.330 -6.672 553 HB3 GLU 72 3HB GLU 72 3.827 -18.307 -7.908 554 HG2 GLU 72 2HG GLU 72 1.893 -19.588 -8.627 555 HG3 GLU 72 3HG GLU 72 3.321 -20.612 -8.489 556 H LYS 73 H LYS 73 6.079 -19.019 -7.952 557 HA LYS 73 HA LYS 73 6.467 -21.508 -9.078 558 HB2 LYS 73 2HB LYS 73 7.694 -18.961 -9.234 559 HB3 LYS 73 3HB LYS 73 8.983 -20.131 -8.982 560 HG2 LYS 73 2HG LYS 73 8.707 -19.860 -11.322 561 HG3 LYS 73 3HG LYS 73 8.058 -21.444 -10.895 562 HD2 LYS 73 2HD LYS 73 5.797 -20.170 -10.707 563 HD3 LYS 73 3HD LYS 73 6.608 -18.952 -11.693 564 HE2 LYS 73 2HE LYS 73 6.653 -20.279 -13.535 565 HE3 LYS 73 3HE LYS 73 6.830 -21.761 -12.596 566 HZ1 LYS 73 1HZ LYS 73 4.554 -21.863 -12.193 567 HZ2 LYS 73 2HZ LYS 73 4.643 -21.386 -13.813 568 HZ3 LYS 73 3HZ LYS 73 4.293 -20.245 -12.613 569 H PHE 74 H PHE 74 7.982 -20.114 -6.214 570 HA PHE 74 HA PHE 74 9.732 -22.375 -5.834 571 HB2 PHE 74 2HB PHE 74 9.144 -19.879 -4.266 572 HB3 PHE 74 3HB PHE 74 10.095 -21.181 -3.560 573 HD1 PHE 74 HD1 PHE 74 12.369 -20.989 -3.714 574 HD2 PHE 74 HD2 PHE 74 9.948 -19.249 -6.753 575 HE1 PHE 74 HE1 PHE 74 14.387 -20.113 -4.815 576 HE2 PHE 74 HE2 PHE 74 11.962 -18.370 -7.859 577 HZ PHE 74 HZ PHE 74 14.186 -18.803 -6.892 578 H GLY 75 H GLY 75 6.557 -21.423 -4.843 579 HA2 GLY 75 2HA GLY 75 5.270 -23.521 -4.162 580 HA3 GLY 75 3HA GLY 75 6.479 -23.633 -2.892 581 H SER 76 H SER 76 5.966 -22.769 -0.997 582 HA SER 76 HA SER 76 4.266 -20.407 -0.875 583 HB2 SER 76 2HB SER 76 2.648 -21.380 0.618 584 HB3 SER 76 3HB SER 76 2.749 -22.413 -0.808 585 HG SER 76 HG SER 76 3.088 -23.931 0.605 586 H SER 77 H SER 77 4.331 -19.330 1.165 587 HA SER 77 HA SER 77 5.999 -20.295 3.285 588 HB2 SER 77 2HB SER 77 7.943 -19.209 2.902 589 HB3 SER 77 3HB SER 77 7.390 -19.121 1.229 590 HG SER 77 HG SER 77 8.028 -17.097 2.540 591 H LYS 78 H LYS 78 5.693 -19.174 5.176 592 HA LYS 78 HA LYS 78 3.359 -17.624 5.421 593 HB2 LYS 78 2HB LYS 78 5.642 -18.272 7.252 594 HB3 LYS 78 3HB LYS 78 4.440 -17.085 7.741 595 HG2 LYS 78 2HG LYS 78 2.833 -19.100 6.948 596 HG3 LYS 78 3HG LYS 78 4.234 -20.009 7.519 597 HD2 LYS 78 2HD LYS 78 3.882 -19.445 9.677 598 HD3 LYS 78 3HD LYS 78 3.348 -17.812 9.271 599 HE2 LYS 78 2HE LYS 78 1.289 -18.513 9.767 600 HE3 LYS 78 3HE LYS 78 1.346 -19.414 8.253 601 HZ1 LYS 78 1HZ LYS 78 1.840 -21.372 9.336 602 HZ2 LYS 78 2HZ LYS 78 0.768 -20.643 10.423 603 HZ3 LYS 78 3HZ LYS 78 2.433 -20.601 10.720 604 H GLU 79 H GLU 79 6.783 -16.724 5.342 605 HA GLU 79 HA GLU 79 6.606 -14.043 5.970 606 HB2 GLU 79 2HB GLU 79 8.422 -15.425 3.991 607 HB3 GLU 79 3HB GLU 79 8.636 -13.762 4.517 608 HG2 GLU 79 2HG GLU 79 8.569 -14.885 6.906 609 HG3 GLU 79 3HG GLU 79 9.098 -16.293 5.987 610 H ILE 80 H ILE 80 6.462 -15.471 2.706 611 HA ILE 80 HA ILE 80 5.802 -13.020 1.430 612 HB ILE 80 HB ILE 80 5.398 -15.848 0.449 613 HG12 ILE 80 2HG1 ILE 80 7.748 -15.276 0.999 614 HG13 ILE 80 3HG1 ILE 80 7.506 -15.554 -0.722 615 HG21 ILE 80 1HG2 ILE 80 4.587 -13.333 -0.640 616 HG22 ILE 80 2HG2 ILE 80 5.819 -14.051 -1.677 617 HG23 ILE 80 3HG2 ILE 80 4.356 -14.955 -1.295 618 HD11 ILE 80 1HD1 ILE 80 8.312 -13.553 -1.196 619 HD12 ILE 80 2HD1 ILE 80 7.138 -12.780 -0.130 620 HD13 ILE 80 3HD1 ILE 80 8.682 -13.338 0.515 621 H ASP 81 H ASP 81 3.872 -15.839 2.406 622 HA ASP 81 HA ASP 81 1.408 -15.088 1.411 623 HB2 ASP 81 2HB ASP 81 1.988 -17.260 2.556 624 HB3 ASP 81 3HB ASP 81 1.825 -16.415 4.094 625 H MET 82 H MET 82 2.976 -14.090 4.417 626 HA MET 82 HA MET 82 0.766 -12.623 5.425 627 HB2 MET 82 2HB MET 82 3.666 -12.832 6.078 628 HB3 MET 82 3HB MET 82 2.776 -11.450 6.706 629 HG2 MET 82 2HG MET 82 1.297 -12.840 7.919 630 HG3 MET 82 3HG MET 82 1.879 -14.287 7.100 631 HE1 MET 82 1HE MET 82 1.450 -14.668 9.637 632 HE2 MET 82 2HE MET 82 2.907 -15.161 10.499 633 HE3 MET 82 3HE MET 82 2.166 -13.596 10.841 634 H ALA 83 H ALA 83 3.746 -11.613 3.760 635 HA ALA 83 HA ALA 83 3.274 -8.880 3.689 636 HB1 ALA 83 1HB ALA 83 5.354 -10.198 2.972 637 HB2 ALA 83 2HB ALA 83 4.566 -10.321 1.399 638 HB3 ALA 83 3HB ALA 83 4.950 -8.737 2.071 639 H ILE 84 H ILE 84 2.254 -11.384 1.393 640 HA ILE 84 HA ILE 84 1.079 -9.695 -0.507 641 HB ILE 84 HB ILE 84 0.299 -12.520 0.219 642 HG12 ILE 84 2HG1 ILE 84 1.970 -11.708 -2.139 643 HG13 ILE 84 3HG1 ILE 84 2.717 -11.922 -0.558 644 HG21 ILE 84 1HG2 ILE 84 -0.745 -10.628 -1.735 645 HG22 ILE 84 2HG2 ILE 84 -0.243 -12.161 -2.447 646 HG23 ILE 84 3HG2 ILE 84 -1.431 -12.141 -1.143 647 HD11 ILE 84 1HD1 ILE 84 2.391 -14.181 -0.561 648 HD12 ILE 84 2HD1 ILE 84 0.990 -14.091 -1.627 649 HD13 ILE 84 3HD1 ILE 84 2.612 -13.883 -2.285 650 H VAL 85 H VAL 85 -0.396 -11.409 2.243 651 HA VAL 85 HA VAL 85 -3.011 -10.464 1.863 652 HB VAL 85 HB VAL 85 -1.659 -11.278 4.440 653 HG11 VAL 85 1HG1 VAL 85 -3.657 -9.984 4.889 654 HG12 VAL 85 2HG1 VAL 85 -4.586 -10.987 3.772 655 HG13 VAL 85 3HG1 VAL 85 -3.943 -11.684 5.260 656 HG21 VAL 85 1HG2 VAL 85 -2.015 -13.429 3.902 657 HG22 VAL 85 2HG2 VAL 85 -3.578 -13.089 3.159 658 HG23 VAL 85 3HG2 VAL 85 -2.092 -12.830 2.245 659 H THR 86 H THR 86 -0.441 -9.271 4.021 660 HA THR 86 HA THR 86 -1.813 -7.143 5.155 661 HB THR 86 HB THR 86 1.133 -7.303 4.488 662 HG1 THR 86 HG1 THR 86 1.037 -8.757 6.023 663 HG21 THR 86 1HG2 THR 86 1.188 -5.160 5.137 664 HG22 THR 86 2HG2 THR 86 0.829 -5.758 6.757 665 HG23 THR 86 3HG2 THR 86 -0.479 -5.209 5.709 666 H LEU 87 H LEU 87 -0.321 -7.426 2.011 667 HA LEU 87 HA LEU 87 -0.307 -4.652 1.387 668 HB2 LEU 87 2HB LEU 87 -0.011 -7.183 -0.157 669 HB3 LEU 87 3HB LEU 87 -0.299 -5.680 -1.032 670 HG LEU 87 HG LEU 87 1.949 -5.897 0.937 671 HD11 LEU 87 1HD1 LEU 87 3.350 -6.376 -1.163 672 HD12 LEU 87 2HD1 LEU 87 1.838 -6.956 -1.863 673 HD13 LEU 87 3HD1 LEU 87 2.485 -7.716 -0.409 674 HD21 LEU 87 1HD2 LEU 87 1.341 -4.187 -1.462 675 HD22 LEU 87 2HD2 LEU 87 2.921 -4.227 -0.679 676 HD23 LEU 87 3HD2 LEU 87 1.503 -3.683 0.220 677 H LYS 88 H LYS 88 -2.478 -7.311 0.436 678 HA LYS 88 HA LYS 88 -4.298 -5.795 -1.034 679 HB2 LYS 88 2HB LYS 88 -4.822 -8.274 0.616 680 HB3 LYS 88 3HB LYS 88 -5.892 -7.635 -0.625 681 HG2 LYS 88 2HG LYS 88 -4.688 -8.519 -2.289 682 HG3 LYS 88 3HG LYS 88 -3.149 -8.100 -1.532 683 HD2 LYS 88 2HD LYS 88 -2.890 -10.191 -0.816 684 HD3 LYS 88 3HD LYS 88 -4.452 -10.137 0.006 685 HE2 LYS 88 2HE LYS 88 -5.570 -11.079 -1.773 686 HE3 LYS 88 3HE LYS 88 -4.378 -10.530 -2.949 687 HZ1 LYS 88 1HZ LYS 88 -3.509 -12.470 -0.944 688 HZ2 LYS 88 2HZ LYS 88 -3.037 -12.301 -2.559 689 HZ3 LYS 88 3HZ LYS 88 -4.518 -13.028 -2.183 690 H VAL 89 H VAL 89 -4.201 -6.523 2.426 691 HA VAL 89 HA VAL 89 -6.668 -5.411 3.142 692 HB VAL 89 HB VAL 89 -4.145 -5.494 4.805 693 HG11 VAL 89 1HG1 VAL 89 -5.607 -4.069 5.932 694 HG12 VAL 89 2HG1 VAL 89 -7.029 -5.004 5.467 695 HG13 VAL 89 3HG1 VAL 89 -5.907 -5.642 6.669 696 HG21 VAL 89 1HG2 VAL 89 -4.615 -7.655 5.395 697 HG22 VAL 89 2HG2 VAL 89 -6.338 -7.491 5.061 698 HG23 VAL 89 3HG2 VAL 89 -5.193 -7.661 3.730 699 H PHE 90 H PHE 90 -3.426 -3.932 3.345 700 HA PHE 90 HA PHE 90 -4.328 -1.375 4.081 701 HB2 PHE 90 2HB PHE 90 -2.023 -1.993 4.431 702 HB3 PHE 90 3HB PHE 90 -1.784 -2.249 2.706 703 HD1 PHE 90 HD1 PHE 90 -2.128 0.240 5.361 704 HD2 PHE 90 HD2 PHE 90 -1.497 -0.388 1.198 705 HE1 PHE 90 HE1 PHE 90 -1.402 2.579 5.121 706 HE2 PHE 90 HE2 PHE 90 -0.769 1.949 0.953 707 HZ PHE 90 HZ PHE 90 -0.720 3.435 2.916 708 H ALA 91 H ALA 91 -3.824 -2.881 0.949 709 HA ALA 91 HA ALA 91 -4.056 -0.542 -0.622 710 HB1 ALA 91 1HB ALA 91 -3.102 -2.684 -1.423 711 HB2 ALA 91 2HB ALA 91 -4.728 -3.367 -1.430 712 HB3 ALA 91 3HB ALA 91 -4.333 -2.022 -2.499 713 H VAL 92 H VAL 92 -6.433 -3.044 0.254 714 HA VAL 92 HA VAL 92 -8.611 -1.769 -1.054 715 HB VAL 92 HB VAL 92 -8.642 -3.824 1.160 716 HG11 VAL 92 1HG1 VAL 92 -10.774 -2.457 -0.341 717 HG12 VAL 92 2HG1 VAL 92 -10.939 -4.209 -0.202 718 HG13 VAL 92 3HG1 VAL 92 -10.811 -3.215 1.250 719 HG21 VAL 92 1HG2 VAL 92 -9.139 -4.355 -1.747 720 HG22 VAL 92 2HG2 VAL 92 -7.501 -4.346 -1.094 721 HG23 VAL 92 3HG2 VAL 92 -8.693 -5.487 -0.469 722 H ALA 93 H ALA 93 -7.861 -2.134 2.417 723 HA ALA 93 HA ALA 93 -9.873 -0.362 3.297 724 HB1 ALA 93 1HB ALA 93 -8.115 -2.102 4.506 725 HB2 ALA 93 2HB ALA 93 -7.568 -0.520 5.065 726 HB3 ALA 93 3HB ALA 93 -9.238 -1.020 5.332 727 H GLY 94 H GLY 94 -6.901 0.219 1.773 728 HA2 GLY 94 2HA GLY 94 -6.641 2.909 2.909 729 HA3 GLY 94 3HA GLY 94 -5.459 2.100 1.891 730 H LEU 95 H LEU 95 -6.176 1.704 -0.401 731 HA LEU 95 HA LEU 95 -6.841 4.136 -1.621 732 HB2 LEU 95 2HB LEU 95 -6.760 1.309 -2.630 733 HB3 LEU 95 3HB LEU 95 -7.188 2.661 -3.677 734 HG LEU 95 HG LEU 95 -4.895 2.151 -4.051 735 HD11 LEU 95 1HD1 LEU 95 -4.283 4.409 -2.342 736 HD12 LEU 95 2HD1 LEU 95 -5.783 4.640 -3.240 737 HD13 LEU 95 3HD1 LEU 95 -4.284 4.288 -4.102 738 HD21 LEU 95 1HD2 LEU 95 -4.709 1.019 -1.732 739 HD22 LEU 95 2HD2 LEU 95 -4.215 2.618 -1.173 740 HD23 LEU 95 3HD2 LEU 95 -3.283 1.793 -2.423 741 H LEU 96 H LEU 96 -8.793 1.244 -0.999 742 HA LEU 96 HA LEU 96 -11.159 2.510 -2.113 743 HB2 LEU 96 2HB LEU 96 -10.290 -0.145 -1.696 744 HB3 LEU 96 3HB LEU 96 -11.739 0.083 -0.720 745 HG LEU 96 HG LEU 96 -11.591 0.667 -3.674 746 HD11 LEU 96 1HD1 LEU 96 -12.720 -1.766 -2.297 747 HD12 LEU 96 2HD1 LEU 96 -11.203 -1.722 -3.196 748 HD13 LEU 96 3HD1 LEU 96 -12.730 -1.430 -4.029 749 HD21 LEU 96 1HD2 LEU 96 -13.330 1.901 -2.554 750 HD22 LEU 96 2HD2 LEU 96 -13.888 0.444 -1.733 751 HD23 LEU 96 3HD2 LEU 96 -14.057 0.590 -3.483 752 H ASN 97 H ASN 97 -9.563 2.714 0.746 753 HA ASN 97 HA ASN 97 -10.103 3.312 2.878 754 HB2 ASN 97 2HB ASN 97 -12.223 4.622 1.204 755 HB3 ASN 97 3HB ASN 97 -12.270 4.771 2.958 756 HD21 ASN 97 1HD2 ASN 97 -10.573 5.844 4.022 757 HD22 ASN 97 2HD2 ASN 97 -9.546 6.950 3.181 758 H MET 98 H MET 98 -11.062 0.711 1.940 759 HA MET 98 HA MET 98 -13.674 0.258 2.994 760 HB2 MET 98 2HB MET 98 -12.093 -1.138 1.321 761 HB3 MET 98 3HB MET 98 -11.770 -2.008 2.815 762 HG2 MET 98 2HG MET 98 -13.554 -3.213 2.208 763 HG3 MET 98 3HG MET 98 -14.459 -1.871 2.907 764 HE1 MET 98 1HE MET 98 -16.826 -1.237 0.179 765 HE2 MET 98 2HE MET 98 -16.670 -2.479 1.422 766 HE3 MET 98 3HE MET 98 -16.270 -0.803 1.797 767 H THR 99 H THR 99 -14.128 -1.212 4.809 768 HA THR 99 HA THR 99 -12.288 -0.684 7.042 769 HB THR 99 HB THR 99 -14.440 0.270 7.475 770 HG1 THR 99 HG1 THR 99 -15.053 -1.019 9.330 771 HG21 THR 99 1HG2 THR 99 -16.374 -1.561 7.653 772 HG22 THR 99 2HG2 THR 99 -15.422 -2.302 6.367 773 HG23 THR 99 3HG2 THR 99 -16.055 -0.668 6.168 774 H VAL 100 H VAL 100 -11.155 -2.621 5.923 775 HA VAL 100 HA VAL 100 -12.116 -5.211 5.990 776 HB VAL 100 HB VAL 100 -9.279 -4.405 6.643 777 HG11 VAL 100 1HG1 VAL 100 -10.042 -6.812 6.983 778 HG12 VAL 100 2HG1 VAL 100 -10.206 -6.887 5.227 779 HG13 VAL 100 3HG1 VAL 100 -8.634 -6.555 5.954 780 HG21 VAL 100 1HG2 VAL 100 -10.689 -4.688 3.999 781 HG22 VAL 100 2HG2 VAL 100 -9.834 -3.281 4.629 782 HG23 VAL 100 3HG2 VAL 100 -8.933 -4.723 4.163 783 H SER 101 H SER 101 -12.419 -6.740 7.514 784 HA SER 101 HA SER 101 -12.223 -5.902 10.296 785 HB2 SER 101 2HB SER 101 -13.713 -8.014 8.811 786 HB3 SER 101 3HB SER 101 -13.343 -8.314 10.509 787 HG SER 101 HG SER 101 -14.715 -6.807 11.082 788 H THR 102 H THR 102 -11.004 -8.440 8.161 789 HA THR 102 HA THR 102 -8.827 -8.916 10.058 790 HB THR 102 HB THR 102 -9.012 -11.296 9.972 791 HG1 THR 102 HG1 THR 102 -10.149 -12.310 8.478 792 HG21 THR 102 1HG2 THR 102 -11.796 -10.208 10.408 793 HG22 THR 102 2HG2 THR 102 -10.487 -10.120 11.588 794 HG23 THR 102 3HG2 THR 102 -11.120 -11.688 11.087 795 H ALA 103 H ALA 103 -6.905 -9.647 9.127 796 HA ALA 103 HA ALA 103 -6.241 -8.715 6.618 797 HB1 ALA 103 1HB ALA 103 -4.637 -9.338 8.410 798 HB2 ALA 103 2HB ALA 103 -4.905 -11.034 8.005 799 HB3 ALA 103 3HB ALA 103 -4.190 -9.946 6.816 800 H ALA 104 H ALA 104 -7.419 -11.906 7.545 801 HA ALA 104 HA ALA 104 -6.997 -13.159 5.041 802 HB1 ALA 104 1HB ALA 104 -7.415 -14.862 6.414 803 HB2 ALA 104 2HB ALA 104 -8.252 -13.827 7.571 804 HB3 ALA 104 3HB ALA 104 -9.124 -14.491 6.190 805 H ALA 105 H ALA 105 -9.680 -11.334 6.407 806 HA ALA 105 HA ALA 105 -11.616 -11.924 4.465 807 HB1 ALA 105 1HB ALA 105 -11.538 -9.229 5.732 808 HB2 ALA 105 2HB ALA 105 -12.908 -10.303 5.446 809 HB3 ALA 105 3HB ALA 105 -11.773 -10.650 6.751 810 H ALA 106 H ALA 106 -9.194 -9.340 4.628 811 HA ALA 106 HA ALA 106 -9.999 -7.979 2.295 812 HB1 ALA 106 1HB ALA 106 -8.170 -7.516 4.265 813 HB2 ALA 106 2HB ALA 106 -7.134 -7.877 2.884 814 HB3 ALA 106 3HB ALA 106 -8.322 -6.576 2.780 815 H GLU 107 H GLU 107 -7.359 -10.325 2.802 816 HA GLU 107 HA GLU 107 -6.411 -10.473 0.214 817 HB2 GLU 107 2HB GLU 107 -5.226 -11.579 1.969 818 HB3 GLU 107 3HB GLU 107 -6.606 -12.604 2.340 819 HG2 GLU 107 2HG GLU 107 -5.818 -12.923 -0.407 820 HG3 GLU 107 3HG GLU 107 -4.452 -13.195 0.675 821 H ASN 108 H ASN 108 -9.211 -12.054 1.640 822 HA ASN 108 HA ASN 108 -9.758 -13.765 -0.561 823 HB2 ASN 108 2HB ASN 108 -10.936 -13.164 2.004 824 HB3 ASN 108 3HB ASN 108 -12.184 -13.241 0.765 825 HD21 ASN 108 1HD2 ASN 108 -9.240 -15.001 1.684 826 HD22 ASN 108 2HD2 ASN 108 -9.921 -16.577 1.494 827 H MET 109 H MET 109 -10.833 -10.529 0.347 828 HA MET 109 HA MET 109 -12.792 -10.248 -1.671 829 HB2 MET 109 2HB MET 109 -11.399 -8.467 0.231 830 HB3 MET 109 3HB MET 109 -12.025 -7.689 -1.217 831 HG2 MET 109 2HG MET 109 -14.216 -8.150 -0.684 832 HG3 MET 109 3HG MET 109 -13.787 -9.505 0.358 833 HE1 MET 109 1HE MET 109 -15.923 -7.100 1.914 834 HE2 MET 109 2HE MET 109 -15.127 -5.596 1.451 835 HE3 MET 109 3HE MET 109 -15.516 -6.803 0.224 836 H TYR 110 H TYR 110 -9.393 -9.216 -1.505 837 HA TYR 110 HA TYR 110 -9.310 -8.025 -4.057 838 HB2 TYR 110 2HB TYR 110 -7.554 -8.306 -1.927 839 HB3 TYR 110 3HB TYR 110 -6.779 -9.208 -3.224 840 HD1 TYR 110 HD1 TYR 110 -5.112 -7.951 -4.199 841 HD2 TYR 110 HD2 TYR 110 -8.752 -6.030 -3.121 842 HE1 TYR 110 HE1 TYR 110 -4.282 -5.849 -5.169 843 HE2 TYR 110 HE2 TYR 110 -7.933 -3.923 -4.089 844 HH TYR 110 HH TYR 110 -5.307 -2.997 -4.524 845 H SER 111 H SER 111 -8.463 -11.286 -2.948 846 HA SER 111 HA SER 111 -7.571 -12.234 -5.456 847 HB2 SER 111 2HB SER 111 -7.735 -14.463 -4.465 848 HB3 SER 111 3HB SER 111 -7.023 -13.337 -3.309 849 HG SER 111 HG SER 111 -9.032 -14.876 -2.857 850 H GLN 112 H GLN 112 -10.683 -12.593 -3.770 851 HA GLN 112 HA GLN 112 -11.961 -14.056 -5.810 852 HB2 GLN 112 2HB GLN 112 -12.896 -14.076 -3.608 853 HB3 GLN 112 3HB GLN 112 -13.051 -12.325 -3.593 854 HG2 GLN 112 2HG GLN 112 -15.028 -12.384 -4.608 855 HG3 GLN 112 3HG GLN 112 -14.477 -13.556 -5.804 856 HE21 GLN 112 1HE2 GLN 112 -15.804 -15.217 -5.805 857 HE22 GLN 112 2HE2 GLN 112 -16.434 -16.019 -4.410 858 H MET 113 H MET 113 -11.530 -10.623 -5.273 859 HA MET 113 HA MET 113 -13.453 -9.661 -7.078 860 HB2 MET 113 2HB MET 113 -11.016 -8.571 -5.780 861 HB3 MET 113 3HB MET 113 -11.595 -7.726 -7.210 862 HG2 MET 113 2HG MET 113 -13.477 -8.391 -4.988 863 HG3 MET 113 3HG MET 113 -12.407 -6.996 -4.868 864 HE1 MET 113 1HE MET 113 -13.884 -4.341 -6.876 865 HE2 MET 113 2HE MET 113 -12.663 -4.942 -5.754 866 HE3 MET 113 3HE MET 113 -12.472 -5.204 -7.487 867 H GLY 114 H GLY 114 -10.368 -11.132 -7.579 868 HA2 GLY 114 2HA GLY 114 -9.966 -12.080 -9.789 869 HA3 GLY 114 3HA GLY 114 -10.645 -10.609 -10.472 870 H LEU 115 H LEU 115 -8.463 -10.507 -7.758 871 HA LEU 115 HA LEU 115 -6.422 -9.327 -9.523 872 HB2 LEU 115 2HB LEU 115 -6.957 -8.814 -6.600 873 HB3 LEU 115 3HB LEU 115 -5.648 -8.093 -7.537 874 HG LEU 115 HG LEU 115 -7.697 -7.270 -9.026 875 HD11 LEU 115 1HD1 LEU 115 -9.435 -8.335 -7.762 876 HD12 LEU 115 2HD1 LEU 115 -9.548 -6.593 -7.518 877 HD13 LEU 115 3HD1 LEU 115 -8.848 -7.615 -6.262 878 HD21 LEU 115 1HD2 LEU 115 -6.987 -5.275 -8.337 879 HD22 LEU 115 2HD2 LEU 115 -5.931 -6.139 -7.220 880 HD23 LEU 115 3HD2 LEU 115 -7.513 -5.575 -6.680 881 H ASP 116 H ASP 116 -7.119 -11.835 -7.305 882 HA ASP 116 HA ASP 116 -4.467 -12.939 -7.668 883 HB2 ASP 116 2HB ASP 116 -5.436 -11.880 -5.057 884 HB3 ASP 116 3HB ASP 116 -4.532 -13.390 -5.041 885 H THR 117 H THR 117 -4.318 -15.171 -6.817 886 HA THR 117 HA THR 117 -6.935 -16.464 -6.488 887 HB THR 117 HB THR 117 -6.042 -18.355 -7.950 888 HG1 THR 117 HG1 THR 117 -3.870 -17.641 -8.067 889 HG21 THR 117 1HG2 THR 117 -7.252 -15.833 -8.676 890 HG22 THR 117 2HG2 THR 117 -7.603 -17.457 -9.268 891 HG23 THR 117 3HG2 THR 117 -6.325 -16.501 -10.018 892 H ARG 118 H ARG 118 -6.916 -17.562 -4.649 893 HA ARG 118 HA ARG 118 -4.948 -19.503 -4.032 894 HB2 ARG 118 2HB ARG 118 -3.855 -17.224 -3.439 895 HB3 ARG 118 3HB ARG 118 -4.953 -17.233 -2.067 896 HG2 ARG 118 2HG ARG 118 -3.886 -18.982 -1.044 897 HG3 ARG 118 3HG ARG 118 -3.261 -19.629 -2.563 898 HD2 ARG 118 2HD ARG 118 -1.681 -17.778 -2.712 899 HD3 ARG 118 3HD ARG 118 -2.325 -17.096 -1.219 900 HE ARG 118 HE ARG 118 -0.472 -19.273 -1.470 901 HH11 ARG 118 1HH1 ARG 118 -2.918 -17.828 0.542 902 HH12 ARG 118 2HH1 ARG 118 -2.311 -18.524 2.007 903 HH21 ARG 118 1HH2 ARG 118 0.339 -20.196 0.452 904 HH22 ARG 118 2HH2 ARG 118 -0.457 -19.870 1.955 905 HA PRO 119 HA PRO 119 -9.152 -19.884 -2.064 906 HB2 PRO 119 2HB PRO 119 -9.663 -22.357 -3.061 907 HB3 PRO 119 3HB PRO 119 -10.044 -20.870 -3.938 908 HG2 PRO 119 2HG PRO 119 -7.699 -22.704 -4.251 909 HG3 PRO 119 3HG PRO 119 -8.684 -21.924 -5.502 910 HD2 PRO 119 2HD PRO 119 -6.261 -20.976 -4.755 911 HD3 PRO 119 3HD PRO 119 -7.574 -19.914 -5.301 912 H21 MYR 201 1H2 MYR 1 7.380 11.356 4.726 913 H22 MYR 201 2H2 MYR 1 6.552 12.303 3.506 914 H31 MYR 201 1H3 MYR 1 4.623 12.022 5.643 915 H32 MYR 201 2H3 MYR 1 5.431 10.456 5.569 916 H41 MYR 201 1H4 MYR 1 4.974 11.135 2.820 917 H42 MYR 201 2H4 MYR 1 3.513 11.683 3.645 918 H51 MYR 201 1H5 MYR 1 2.982 9.478 4.471 919 H52 MYR 201 2H5 MYR 1 4.635 8.892 4.270 920 H61 MYR 201 1H6 MYR 1 4.400 8.975 1.767 921 H62 MYR 201 2H6 MYR 1 2.785 9.673 1.914 922 H71 MYR 201 1H7 MYR 1 1.791 7.632 2.422 923 H72 MYR 201 2H7 MYR 1 3.113 7.125 3.476 924 H81 MYR 201 1H8 MYR 1 4.223 5.994 1.779 925 H82 MYR 201 2H8 MYR 1 3.920 7.261 0.587 926 H91 MYR 201 1H9 MYR 1 2.111 6.151 -0.287 927 H92 MYR 201 2H9 MYR 1 1.371 5.937 1.299 928 H101 MYR 201 1H10 MYR 1 3.174 4.028 1.668 929 H102 MYR 201 2H10 MYR 1 3.442 4.099 -0.067 930 H111 MYR 201 1H11 MYR 1 0.579 3.941 0.230 931 H112 MYR 201 2H11 MYR 1 1.218 2.902 1.492 932 H121 MYR 201 1H12 MYR 1 2.383 2.580 -1.312 933 H122 MYR 201 2H12 MYR 1 0.762 1.957 -1.009 934 H131 MYR 201 1H13 MYR 1 2.576 1.174 1.203 935 H132 MYR 201 2H13 MYR 1 3.267 0.694 -0.348 936 H141 MYR 201 1H14 MYR 1 1.012 -0.538 1.095 937 H142 MYR 201 2H14 MYR 1 0.442 0.018 -0.496 938 H143 MYR 201 3H14 MYR 1 1.813 -1.110 -0.392 Start of MODEL 11 1 H GLY 2 H GLY 2 7.487 13.892 5.827 2 HA2 GLY 2 2HA GLY 2 10.134 14.125 5.359 3 HA3 GLY 2 3HA GLY 2 9.508 13.751 3.760 4 H ASN 3 H ASN 3 7.702 15.177 2.993 5 HA ASN 3 HA ASN 3 7.817 17.879 4.115 6 HB2 ASN 3 2HB ASN 3 9.433 17.400 2.078 7 HB3 ASN 3 3HB ASN 3 7.954 17.597 1.142 8 HD21 ASN 3 1HD2 ASN 3 10.500 19.153 2.704 9 HD22 ASN 3 2HD2 ASN 3 9.921 20.775 2.569 10 H GLY 4 H GLY 4 5.792 15.773 4.114 11 HA2 GLY 4 2HA GLY 4 3.534 17.352 3.465 12 HA3 GLY 4 3HA GLY 4 3.783 16.136 2.221 13 H GLN 5 H GLN 5 1.524 15.671 3.161 14 HA GLN 5 HA GLN 5 1.844 13.462 5.045 15 HB2 GLN 5 2HB GLN 5 1.159 15.478 6.346 16 HB3 GLN 5 3HB GLN 5 -0.303 15.564 5.373 17 HG2 GLN 5 2HG GLN 5 -1.076 13.472 6.227 18 HG3 GLN 5 3HG GLN 5 0.456 13.187 7.052 19 HE21 GLN 5 1HE2 GLN 5 -1.668 16.018 6.846 20 HE22 GLN 5 2HE2 GLN 5 -1.878 16.200 8.551 21 H GLY 6 H GLY 6 0.618 11.721 4.561 22 HA2 GLY 6 2HA GLY 6 -1.120 11.961 2.206 23 HA3 GLY 6 3HA GLY 6 -0.397 10.474 2.800 24 H ARG 7 H ARG 7 -3.226 12.155 2.545 25 HA ARG 7 HA ARG 7 -4.496 11.676 5.008 26 HB2 ARG 7 2HB ARG 7 -5.191 13.012 2.773 27 HB3 ARG 7 3HB ARG 7 -6.144 11.550 2.550 28 HG2 ARG 7 2HG ARG 7 -7.383 11.921 4.499 29 HG3 ARG 7 3HG ARG 7 -6.223 13.101 5.113 30 HD2 ARG 7 2HD ARG 7 -8.191 14.247 4.317 31 HD3 ARG 7 3HD ARG 7 -6.830 14.613 3.258 32 HE ARG 7 HE ARG 7 -8.266 12.413 2.238 33 HH11 ARG 7 1HH1 ARG 7 -8.524 15.858 2.662 34 HH12 ARG 7 2HH1 ARG 7 -9.567 16.080 1.295 35 HH21 ARG 7 1HH2 ARG 7 -9.638 12.690 0.438 36 HH22 ARG 7 2HH2 ARG 7 -10.200 14.277 0.032 37 H ASP 8 H ASP 8 -4.525 9.798 1.984 38 HA ASP 8 HA ASP 8 -6.139 7.701 2.951 39 HB2 ASP 8 2HB ASP 8 -4.243 7.999 0.649 40 HB3 ASP 8 3HB ASP 8 -4.907 6.414 1.032 41 H TRP 9 H TRP 9 -2.706 8.324 3.146 42 HA TRP 9 HA TRP 9 -1.845 5.743 3.861 43 HB2 TRP 9 2HB TRP 9 -0.198 7.334 3.198 44 HB3 TRP 9 3HB TRP 9 -0.714 8.482 4.429 45 HD1 TRP 9 HD1 TRP 9 0.108 8.044 6.942 46 HE1 TRP 9 HE1 TRP 9 2.039 6.631 7.893 47 HE3 TRP 9 HE3 TRP 9 1.115 5.176 2.831 48 HZ2 TRP 9 HZ2 TRP 9 3.761 4.574 7.015 49 HZ3 TRP 9 HZ3 TRP 9 2.920 3.510 2.969 50 HH2 TRP 9 HH2 TRP 9 4.215 3.217 5.019 51 H LYS 10 H LYS 10 -2.552 8.559 5.934 52 HA LYS 10 HA LYS 10 -2.255 7.189 8.375 53 HB2 LYS 10 2HB LYS 10 -2.489 9.771 7.760 54 HB3 LYS 10 3HB LYS 10 -4.166 9.466 8.191 55 HG2 LYS 10 2HG LYS 10 -2.854 8.313 10.275 56 HG3 LYS 10 3HG LYS 10 -1.790 9.666 9.885 57 HD2 LYS 10 2HD LYS 10 -3.974 11.058 9.851 58 HD3 LYS 10 3HD LYS 10 -4.659 9.702 10.751 59 HE2 LYS 10 2HE LYS 10 -3.014 9.964 12.490 60 HE3 LYS 10 3HE LYS 10 -2.175 11.207 11.562 61 HZ1 LYS 10 1HZ LYS 10 -4.739 11.378 12.993 62 HZ2 LYS 10 2HZ LYS 10 -4.453 12.398 11.675 63 HZ3 LYS 10 3HZ LYS 10 -3.426 12.444 13.018 64 H MET 11 H MET 11 -5.133 7.924 6.431 65 HA MET 11 HA MET 11 -7.015 6.786 8.187 66 HB2 MET 11 2HB MET 11 -6.994 7.524 5.295 67 HB3 MET 11 3HB MET 11 -8.305 6.513 5.889 68 HG2 MET 11 2HG MET 11 -7.772 8.847 7.559 69 HG3 MET 11 3HG MET 11 -8.262 9.240 5.911 70 HE1 MET 11 1HE MET 11 -10.907 9.769 5.622 71 HE2 MET 11 2HE MET 11 -11.725 9.793 7.184 72 HE3 MET 11 3HE MET 11 -10.130 10.526 7.014 73 H ALA 12 H ALA 12 -4.920 5.401 5.766 74 HA ALA 12 HA ALA 12 -6.232 2.910 5.486 75 HB1 ALA 12 1HB ALA 12 -4.642 3.620 3.833 76 HB2 ALA 12 2HB ALA 12 -3.353 3.679 5.035 77 HB3 ALA 12 3HB ALA 12 -4.058 2.130 4.574 78 H ILE 13 H ILE 13 -3.361 3.826 7.397 79 HA ILE 13 HA ILE 13 -3.207 1.314 8.730 80 HB ILE 13 HB ILE 13 -1.980 3.967 9.493 81 HG12 ILE 13 2HG1 ILE 13 -0.857 1.621 7.946 82 HG13 ILE 13 3HG1 ILE 13 -1.268 3.196 7.280 83 HG21 ILE 13 1HG2 ILE 13 -0.422 2.632 10.833 84 HG22 ILE 13 2HG2 ILE 13 -2.086 2.444 11.386 85 HG23 ILE 13 3HG2 ILE 13 -1.329 1.174 10.425 86 HD11 ILE 13 1HD1 ILE 13 1.118 2.998 7.592 87 HD12 ILE 13 2HD1 ILE 13 0.461 4.220 8.683 88 HD13 ILE 13 3HD1 ILE 13 0.887 2.624 9.300 89 H LYS 14 H LYS 14 -4.749 4.381 9.432 90 HA LYS 14 HA LYS 14 -5.295 3.974 12.157 91 HB2 LYS 14 2HB LYS 14 -5.526 6.146 10.971 92 HB3 LYS 14 3HB LYS 14 -6.949 5.517 10.150 93 HG2 LYS 14 2HG LYS 14 -8.226 5.517 12.090 94 HG3 LYS 14 3HG LYS 14 -6.807 5.570 13.139 95 HD2 LYS 14 2HD LYS 14 -6.564 7.822 12.925 96 HD3 LYS 14 3HD LYS 14 -7.187 7.841 11.274 97 HE2 LYS 14 2HE LYS 14 -8.962 7.277 13.629 98 HE3 LYS 14 3HE LYS 14 -8.613 8.923 13.107 99 HZ1 LYS 14 1HZ LYS 14 -9.591 8.502 11.005 100 HZ2 LYS 14 2HZ LYS 14 -10.683 7.943 12.169 101 HZ3 LYS 14 3HZ LYS 14 -9.725 6.843 11.310 102 H ARG 15 H ARG 15 -7.053 3.039 9.244 103 HA ARG 15 HA ARG 15 -9.198 1.855 10.809 104 HB2 ARG 15 2HB ARG 15 -8.718 2.368 7.906 105 HB3 ARG 15 3HB ARG 15 -9.866 1.117 8.360 106 HG2 ARG 15 2HG ARG 15 -10.739 3.103 9.930 107 HG3 ARG 15 3HG ARG 15 -10.055 4.048 8.607 108 HD2 ARG 15 2HD ARG 15 -11.417 2.840 7.005 109 HD3 ARG 15 3HD ARG 15 -12.050 1.810 8.288 110 HE ARG 15 HE ARG 15 -12.882 4.482 7.638 111 HH11 ARG 15 1HH1 ARG 15 -12.700 2.073 10.145 112 HH12 ARG 15 2HH1 ARG 15 -14.018 2.733 11.056 113 HH21 ARG 15 1HH2 ARG 15 -14.618 5.360 8.829 114 HH22 ARG 15 2HH2 ARG 15 -15.109 4.601 10.306 115 H CYS 16 H CYS 16 -6.382 0.883 8.979 116 HA CYS 16 HA CYS 16 -6.981 -1.865 8.756 117 HB2 CYS 16 2HB CYS 16 -5.244 -0.789 7.404 118 HB3 CYS 16 3HB CYS 16 -4.293 -0.481 8.852 119 HG CYS 16 HG CYS 16 -2.871 -2.568 8.351 120 H SER 17 H SER 17 -5.795 0.076 11.364 121 HA SER 17 HA SER 17 -4.489 -1.837 12.915 122 HB2 SER 17 2HB SER 17 -5.744 0.791 13.390 123 HB3 SER 17 3HB SER 17 -5.641 -0.250 14.810 124 HG SER 17 HG SER 17 -3.590 0.153 14.885 125 H ASN 18 H ASN 18 -7.840 -1.425 12.227 126 HA ASN 18 HA ASN 18 -8.647 -3.162 14.434 127 HB2 ASN 18 2HB ASN 18 -9.898 -1.013 13.688 128 HB3 ASN 18 3HB ASN 18 -10.519 -2.017 12.381 129 HD21 ASN 18 1HD2 ASN 18 -12.218 -0.873 14.176 130 HD22 ASN 18 2HD2 ASN 18 -12.916 -2.092 15.182 131 H VAL 19 H VAL 19 -7.070 -4.079 12.082 132 HA VAL 19 HA VAL 19 -8.972 -5.943 10.844 133 HB VAL 19 HB VAL 19 -6.132 -5.277 10.056 134 HG11 VAL 19 1HG1 VAL 19 -6.144 -7.150 8.865 135 HG12 VAL 19 2HG1 VAL 19 -7.782 -7.519 9.409 136 HG13 VAL 19 3HG1 VAL 19 -7.532 -6.542 7.961 137 HG21 VAL 19 1HG2 VAL 19 -7.075 -4.087 8.204 138 HG22 VAL 19 2HG2 VAL 19 -8.705 -4.604 8.636 139 HG23 VAL 19 3HG2 VAL 19 -7.829 -3.485 9.680 140 H ALA 20 H ALA 20 -9.112 -7.909 11.675 141 HA ALA 20 HA ALA 20 -7.182 -8.906 13.547 142 HB1 ALA 20 1HB ALA 20 -9.296 -10.655 12.387 143 HB2 ALA 20 2HB ALA 20 -8.704 -10.547 14.046 144 HB3 ALA 20 3HB ALA 20 -9.774 -9.298 13.407 145 H VAL 21 H VAL 21 -5.236 -9.241 12.523 146 HA VAL 21 HA VAL 21 -4.822 -10.394 10.025 147 HB VAL 21 HB VAL 21 -2.973 -10.701 12.389 148 HG11 VAL 21 1HG1 VAL 21 -1.606 -10.197 9.975 149 HG12 VAL 21 2HG1 VAL 21 -1.624 -11.684 10.925 150 HG13 VAL 21 3HG1 VAL 21 -2.805 -11.444 9.636 151 HG21 VAL 21 1HG2 VAL 21 -3.719 -8.328 10.797 152 HG22 VAL 21 2HG2 VAL 21 -3.124 -8.442 12.453 153 HG23 VAL 21 3HG2 VAL 21 -1.998 -8.558 11.101 154 H GLY 22 H GLY 22 -5.676 -11.858 13.041 155 HA2 GLY 22 2HA GLY 22 -5.131 -14.534 11.931 156 HA3 GLY 22 3HA GLY 22 -5.315 -14.170 13.641 157 H VAL 23 H VAL 23 -7.085 -14.240 10.569 158 HA VAL 23 HA VAL 23 -9.663 -13.902 11.488 159 HB VAL 23 HB VAL 23 -9.003 -14.087 9.092 160 HG11 VAL 23 1HG1 VAL 23 -8.377 -16.029 8.089 161 HG12 VAL 23 2HG1 VAL 23 -7.778 -16.367 9.714 162 HG13 VAL 23 3HG1 VAL 23 -9.324 -17.032 9.187 163 HG21 VAL 23 1HG2 VAL 23 -11.174 -16.080 9.463 164 HG22 VAL 23 2HG2 VAL 23 -11.391 -14.482 10.177 165 HG23 VAL 23 3HG2 VAL 23 -11.118 -14.642 8.442 166 H GLY 24 H GLY 24 -11.159 -15.130 12.508 167 HA2 GLY 24 2HA GLY 24 -12.125 -17.249 13.097 168 HA3 GLY 24 3HA GLY 24 -10.519 -17.958 13.017 169 H GLY 25 H GLY 25 -9.554 -15.450 14.510 170 HA2 GLY 25 2HA GLY 25 -10.755 -15.718 17.120 171 HA3 GLY 25 3HA GLY 25 -9.168 -16.464 16.998 172 H LYS 26 H LYS 26 -10.946 -13.464 16.977 173 HA LYS 26 HA LYS 26 -8.973 -11.638 16.342 174 HB2 LYS 26 2HB LYS 26 -11.564 -11.527 17.361 175 HB3 LYS 26 3HB LYS 26 -10.586 -10.724 18.581 176 HG2 LYS 26 2HG LYS 26 -9.600 -9.544 16.392 177 HG3 LYS 26 3HG LYS 26 -11.231 -9.905 15.820 178 HD2 LYS 26 2HD LYS 26 -11.374 -7.759 16.774 179 HD3 LYS 26 3HD LYS 26 -12.051 -8.846 17.987 180 HE2 LYS 26 2HE LYS 26 -10.648 -7.839 19.409 181 HE3 LYS 26 3HE LYS 26 -9.396 -8.819 18.647 182 HZ1 LYS 26 1HZ LYS 26 -9.721 -6.006 18.615 183 HZ2 LYS 26 2HZ LYS 26 -9.723 -6.603 17.032 184 HZ3 LYS 26 3HZ LYS 26 -8.420 -6.934 18.060 185 H SER 27 H SER 27 -7.122 -11.024 17.250 186 HA SER 27 HA SER 27 -6.661 -10.791 20.012 187 HB2 SER 27 2HB SER 27 -6.675 -13.388 19.510 188 HB3 SER 27 3HB SER 27 -5.034 -13.066 18.953 189 HG SER 27 HG SER 27 -4.803 -13.481 21.076 190 H LYS 28 H LYS 28 -5.272 -11.356 16.826 191 HA LYS 28 HA LYS 28 -3.104 -9.476 17.501 192 HB2 LYS 28 2HB LYS 28 -2.825 -12.058 16.623 193 HB3 LYS 28 3HB LYS 28 -2.725 -11.152 15.119 194 HG2 LYS 28 2HG LYS 28 -1.097 -9.752 16.876 195 HG3 LYS 28 3HG LYS 28 -0.776 -11.452 17.226 196 HD2 LYS 28 2HD LYS 28 -0.621 -11.691 14.647 197 HD3 LYS 28 3HD LYS 28 -0.401 -9.940 14.668 198 HE2 LYS 28 2HE LYS 28 1.306 -12.024 16.020 199 HE3 LYS 28 3HE LYS 28 1.761 -10.969 14.683 200 HZ1 LYS 28 1HZ LYS 28 2.611 -9.701 16.300 201 HZ2 LYS 28 2HZ LYS 28 1.683 -10.422 17.518 202 HZ3 LYS 28 3HZ LYS 28 1.016 -9.200 16.557 203 H LYS 29 H LYS 29 -3.712 -7.537 16.765 204 HA LYS 29 HA LYS 29 -5.072 -7.342 14.178 205 HB2 LYS 29 2HB LYS 29 -5.753 -5.161 14.815 206 HB3 LYS 29 3HB LYS 29 -5.969 -6.174 16.236 207 HG2 LYS 29 2HG LYS 29 -3.574 -5.330 16.845 208 HG3 LYS 29 3HG LYS 29 -3.973 -4.022 15.729 209 HD2 LYS 29 2HD LYS 29 -6.098 -3.702 17.052 210 HD3 LYS 29 3HD LYS 29 -5.426 -4.816 18.246 211 HE2 LYS 29 2HE LYS 29 -3.441 -2.883 17.640 212 HE3 LYS 29 3HE LYS 29 -4.953 -2.025 17.940 213 HZ1 LYS 29 1HZ LYS 29 -3.346 -3.655 19.760 214 HZ2 LYS 29 2HZ LYS 29 -5.025 -3.681 19.966 215 HZ3 LYS 29 3HZ LYS 29 -4.185 -2.215 20.054 216 H PHE 30 H PHE 30 -4.370 -5.779 12.605 217 HA PHE 30 HA PHE 30 -1.610 -5.897 12.071 218 HB2 PHE 30 2HB PHE 30 -3.984 -4.869 10.775 219 HB3 PHE 30 3HB PHE 30 -2.631 -3.761 10.573 220 HD1 PHE 30 HD1 PHE 30 -0.323 -5.354 10.239 221 HD2 PHE 30 HD2 PHE 30 -4.285 -6.137 8.894 222 HE1 PHE 30 HE1 PHE 30 0.572 -6.773 8.439 223 HE2 PHE 30 HE2 PHE 30 -3.396 -7.559 7.094 224 HZ PHE 30 HZ PHE 30 -0.965 -7.880 6.865 225 H GLY 31 H GLY 31 -0.590 -3.591 11.324 226 HA2 GLY 31 2HA GLY 31 -1.029 -1.372 13.017 227 HA3 GLY 31 3HA GLY 31 0.263 -2.361 13.679 228 H GLU 32 H GLU 32 0.838 0.188 12.991 229 HA GLU 32 HA GLU 32 1.658 0.663 10.366 230 HB2 GLU 32 2HB GLU 32 1.505 2.398 12.125 231 HB3 GLU 32 3HB GLU 32 2.922 1.709 12.905 232 HG2 GLU 32 2HG GLU 32 4.337 2.692 11.484 233 HG3 GLU 32 3HG GLU 32 3.319 2.357 10.085 234 H GLY 33 H GLY 33 3.351 -0.880 13.057 235 HA2 GLY 33 2HA GLY 33 5.870 -1.101 11.797 236 HA3 GLY 33 3HA GLY 33 5.305 -2.082 13.142 237 H ASN 34 H ASN 34 3.320 -3.561 12.220 238 HA ASN 34 HA ASN 34 4.545 -5.585 10.761 239 HB2 ASN 34 2HB ASN 34 1.567 -5.082 10.905 240 HB3 ASN 34 3HB ASN 34 2.370 -6.624 10.626 241 HD21 ASN 34 1HD2 ASN 34 3.337 -7.693 12.340 242 HD22 ASN 34 2HD2 ASN 34 3.018 -7.275 13.985 243 H PHE 35 H PHE 35 2.287 -3.076 9.661 244 HA PHE 35 HA PHE 35 2.006 -3.870 7.019 245 HB2 PHE 35 2HB PHE 35 0.611 -2.122 7.875 246 HB3 PHE 35 3HB PHE 35 2.004 -1.112 8.247 247 HD1 PHE 35 HD1 PHE 35 1.095 -3.005 5.171 248 HD2 PHE 35 HD2 PHE 35 1.846 0.787 6.953 249 HE1 PHE 35 HE1 PHE 35 0.901 -1.934 2.965 250 HE2 PHE 35 HE2 PHE 35 1.652 1.864 4.750 251 HZ PHE 35 HZ PHE 35 1.177 0.505 2.752 252 H ARG 36 H ARG 36 4.467 -1.762 8.464 253 HA ARG 36 HA ARG 36 5.820 -1.120 6.092 254 HB2 ARG 36 2HB ARG 36 6.833 -1.302 8.934 255 HB3 ARG 36 3HB ARG 36 7.751 -0.614 7.601 256 HG2 ARG 36 2HG ARG 36 6.435 1.256 7.475 257 HG3 ARG 36 3HG ARG 36 5.027 0.444 8.163 258 HD2 ARG 36 2HD ARG 36 5.539 1.365 10.119 259 HD3 ARG 36 3HD ARG 36 6.985 0.357 10.154 260 HE ARG 36 HE ARG 36 6.846 3.180 9.595 261 HH11 ARG 36 1HH1 ARG 36 8.708 0.260 9.250 262 HH12 ARG 36 2HH1 ARG 36 10.216 1.090 9.051 263 HH21 ARG 36 1HH2 ARG 36 8.824 4.285 9.335 264 HH22 ARG 36 2HH2 ARG 36 10.281 3.380 9.101 265 H TRP 37 H TRP 37 6.307 -3.755 8.412 266 HA TRP 37 HA TRP 37 8.617 -4.856 7.308 267 HB2 TRP 37 2HB TRP 37 7.877 -5.612 9.454 268 HB3 TRP 37 3HB TRP 37 6.329 -6.141 8.801 269 HD1 TRP 37 HD1 TRP 37 9.868 -7.300 9.367 270 HE1 TRP 37 HE1 TRP 37 10.102 -9.746 8.603 271 HE3 TRP 37 HE3 TRP 37 5.387 -7.832 6.963 272 HZ2 TRP 37 HZ2 TRP 37 8.587 -11.650 7.170 273 HZ3 TRP 37 HZ3 TRP 37 4.857 -9.998 5.922 274 HH2 TRP 37 HH2 TRP 37 6.426 -11.866 6.024 275 H ALA 38 H ALA 38 5.248 -5.219 6.389 276 HA ALA 38 HA ALA 38 5.644 -7.380 4.583 277 HB1 ALA 38 1HB ALA 38 3.388 -6.292 3.655 278 HB2 ALA 38 2HB ALA 38 3.443 -7.283 5.113 279 HB3 ALA 38 3HB ALA 38 3.438 -5.524 5.242 280 H ILE 39 H ILE 39 5.011 -3.917 3.982 281 HA ILE 39 HA ILE 39 5.445 -3.986 1.223 282 HB ILE 39 HB ILE 39 4.369 -2.083 2.257 283 HG12 ILE 39 2HG1 ILE 39 7.007 -1.305 0.992 284 HG13 ILE 39 3HG1 ILE 39 5.531 -1.713 0.125 285 HG21 ILE 39 1HG2 ILE 39 7.036 -1.393 3.481 286 HG22 ILE 39 2HG2 ILE 39 5.517 -0.519 3.673 287 HG23 ILE 39 3HG2 ILE 39 5.696 -2.136 4.354 288 HD11 ILE 39 1HD1 ILE 39 5.128 0.470 0.108 289 HD12 ILE 39 2HD1 ILE 39 4.727 0.296 1.817 290 HD13 ILE 39 3HD1 ILE 39 6.351 0.789 1.339 291 H ARG 40 H ARG 40 7.693 -3.467 3.896 292 HA ARG 40 HA ARG 40 9.936 -2.700 2.414 293 HB2 ARG 40 2HB ARG 40 9.541 -3.989 5.087 294 HB3 ARG 40 3HB ARG 40 11.166 -3.860 4.424 295 HG2 ARG 40 2HG ARG 40 9.952 -1.332 4.128 296 HG3 ARG 40 3HG ARG 40 9.613 -1.888 5.768 297 HD2 ARG 40 2HD ARG 40 11.688 -0.646 5.734 298 HD3 ARG 40 3HD ARG 40 12.011 -2.343 6.084 299 HE ARG 40 HE ARG 40 13.211 -2.474 4.142 300 HH11 ARG 40 1HH1 ARG 40 11.229 0.387 4.060 301 HH12 ARG 40 2HH1 ARG 40 11.941 0.997 2.603 302 HH21 ARG 40 1HH2 ARG 40 14.155 -1.682 2.222 303 HH22 ARG 40 2HH2 ARG 40 13.605 -0.181 1.558 304 H MET 41 H MET 41 8.973 -5.942 3.538 305 HA MET 41 HA MET 41 11.109 -7.283 2.239 306 HB2 MET 41 2HB MET 41 9.982 -8.306 4.124 307 HB3 MET 41 3HB MET 41 8.452 -8.301 3.257 308 HG2 MET 41 2HG MET 41 8.901 -10.251 2.316 309 HG3 MET 41 3HG MET 41 10.460 -9.673 1.731 310 HE1 MET 41 1HE MET 41 11.831 -12.818 3.200 311 HE2 MET 41 2HE MET 41 11.101 -12.037 1.797 312 HE3 MET 41 3HE MET 41 12.581 -11.383 2.500 313 H ALA 42 H ALA 42 7.782 -6.548 1.331 314 HA ALA 42 HA ALA 42 7.649 -8.124 -0.991 315 HB1 ALA 42 1HB ALA 42 5.634 -7.255 -0.069 316 HB2 ALA 42 2HB ALA 42 6.206 -5.594 -0.229 317 HB3 ALA 42 3HB ALA 42 5.830 -6.540 -1.669 318 H ASN 43 H ASN 43 8.691 -4.774 -0.493 319 HA ASN 43 HA ASN 43 9.097 -4.138 -3.206 320 HB2 ASN 43 2HB ASN 43 9.515 -2.884 -0.665 321 HB3 ASN 43 3HB ASN 43 10.970 -2.692 -1.638 322 HD21 ASN 43 1HD2 ASN 43 10.547 -0.455 -1.733 323 HD22 ASN 43 2HD2 ASN 43 9.354 0.181 -2.810 324 H VAL 44 H VAL 44 11.475 -5.045 -0.705 325 HA VAL 44 HA VAL 44 13.701 -5.192 -2.380 326 HB VAL 44 HB VAL 44 13.157 -6.811 0.113 327 HG11 VAL 44 1HG1 VAL 44 15.002 -7.887 -0.638 328 HG12 VAL 44 2HG1 VAL 44 15.511 -6.536 -1.653 329 HG13 VAL 44 3HG1 VAL 44 15.816 -6.500 0.083 330 HG21 VAL 44 1HG2 VAL 44 14.700 -4.237 -0.145 331 HG22 VAL 44 2HG2 VAL 44 13.005 -4.314 0.338 332 HG23 VAL 44 3HG2 VAL 44 14.243 -5.079 1.336 333 H SER 45 H SER 45 11.337 -7.676 -1.497 334 HA SER 45 HA SER 45 12.618 -9.814 -2.831 335 HB2 SER 45 2HB SER 45 10.814 -10.014 -1.070 336 HB3 SER 45 3HB SER 45 9.650 -9.557 -2.313 337 HG SER 45 HG SER 45 10.365 -11.945 -1.823 338 H THR 46 H THR 46 10.622 -7.215 -3.923 339 HA THR 46 HA THR 46 10.175 -8.498 -6.516 340 HB THR 46 HB THR 46 8.769 -6.488 -7.006 341 HG1 THR 46 HG1 THR 46 8.409 -5.002 -5.412 342 HG21 THR 46 1HG2 THR 46 7.265 -7.139 -4.769 343 HG22 THR 46 2HG2 THR 46 8.257 -8.571 -5.047 344 HG23 THR 46 3HG2 THR 46 7.220 -7.954 -6.333 345 H GLY 47 H GLY 47 12.790 -7.366 -5.451 346 HA2 GLY 47 2HA GLY 47 14.572 -6.151 -6.242 347 HA3 GLY 47 3HA GLY 47 13.891 -6.485 -7.827 348 H ARG 48 H ARG 48 12.127 -4.652 -5.447 349 HA ARG 48 HA ARG 48 12.100 -2.373 -7.242 350 HB2 ARG 48 2HB ARG 48 10.133 -3.421 -5.800 351 HB3 ARG 48 3HB ARG 48 10.753 -2.315 -4.582 352 HG2 ARG 48 2HG ARG 48 10.165 -0.443 -5.782 353 HG3 ARG 48 3HG ARG 48 10.174 -1.301 -7.324 354 HD2 ARG 48 2HD ARG 48 8.226 -2.596 -5.842 355 HD3 ARG 48 3HD ARG 48 8.012 -0.895 -5.434 356 HE ARG 48 HE ARG 48 7.282 -0.500 -7.573 357 HH11 ARG 48 1HH1 ARG 48 8.744 -3.655 -7.406 358 HH12 ARG 48 2HH1 ARG 48 8.221 -4.125 -8.989 359 HH21 ARG 48 1HH2 ARG 48 6.587 -1.107 -9.660 360 HH22 ARG 48 2HH2 ARG 48 6.994 -2.675 -10.270 361 H GLU 49 H GLU 49 12.872 -0.333 -6.778 362 HA GLU 49 HA GLU 49 15.229 -0.077 -5.365 363 HB2 GLU 49 2HB GLU 49 13.340 1.727 -6.662 364 HB3 GLU 49 3HB GLU 49 14.146 2.475 -5.290 365 HG2 GLU 49 2HG GLU 49 16.079 2.647 -6.376 366 HG3 GLU 49 3HG GLU 49 15.972 1.006 -7.010 367 HA PRO 50 HA PRO 50 14.286 0.382 -1.107 368 HB2 PRO 50 2HB PRO 50 16.000 2.341 -0.333 369 HB3 PRO 50 3HB PRO 50 16.531 0.706 -0.740 370 HG2 PRO 50 2HG PRO 50 16.581 3.186 -2.416 371 HG3 PRO 50 3HG PRO 50 17.825 1.935 -2.232 372 HD2 PRO 50 2HD PRO 50 16.156 2.027 -4.362 373 HD3 PRO 50 3HD PRO 50 16.779 0.501 -3.703 374 H GLY 51 H GLY 51 14.664 3.570 -2.675 375 HA2 GLY 51 2HA GLY 51 12.753 4.751 -0.827 376 HA3 GLY 51 3HA GLY 51 13.655 5.593 -2.079 377 H ASP 52 H ASP 52 11.434 2.814 -2.189 378 HA ASP 52 HA ASP 52 9.830 4.318 -4.153 379 HB2 ASP 52 2HB ASP 52 11.053 1.744 -4.344 380 HB3 ASP 52 3HB ASP 52 9.304 1.531 -4.367 381 H ILE 53 H ILE 53 8.301 5.170 -2.798 382 HA ILE 53 HA ILE 53 6.670 3.235 -1.287 383 HB ILE 53 HB ILE 53 5.945 5.303 0.041 384 HG12 ILE 53 2HG1 ILE 53 8.548 6.370 -1.075 385 HG13 ILE 53 3HG1 ILE 53 6.952 6.932 -1.562 386 HG21 ILE 53 1HG2 ILE 53 8.751 4.955 0.738 387 HG22 ILE 53 2HG2 ILE 53 7.298 4.546 1.648 388 HG23 ILE 53 3HG2 ILE 53 7.918 3.431 0.430 389 HD11 ILE 53 1HD1 ILE 53 6.653 8.128 0.325 390 HD12 ILE 53 2HD1 ILE 53 7.542 6.980 1.328 391 HD13 ILE 53 3HD1 ILE 53 8.416 8.128 0.314 392 HA PRO 54 HA PRO 54 4.083 5.094 -4.699 393 HB2 PRO 54 2HB PRO 54 3.116 2.722 -5.598 394 HB3 PRO 54 3HB PRO 54 4.631 3.423 -6.178 395 HG2 PRO 54 2HG PRO 54 4.195 1.286 -4.129 396 HG3 PRO 54 3HG PRO 54 5.400 1.361 -5.427 397 HD2 PRO 54 2HD PRO 54 5.990 1.969 -2.855 398 HD3 PRO 54 3HD PRO 54 6.786 2.760 -4.230 399 H GLU 55 H GLU 55 1.924 5.511 -4.531 400 HA GLU 55 HA GLU 55 0.369 3.942 -2.590 401 HB2 GLU 55 2HB GLU 55 0.125 6.936 -2.814 402 HB3 GLU 55 3HB GLU 55 -0.523 5.883 -1.564 403 HG2 GLU 55 2HG GLU 55 1.254 6.368 -0.342 404 HG3 GLU 55 3HG GLU 55 2.226 5.460 -1.498 405 H THR 56 H THR 56 -0.327 2.966 -4.670 406 HA THR 56 HA THR 56 -2.709 4.344 -5.633 407 HB THR 56 HB THR 56 -2.227 4.061 -7.958 408 HG1 THR 56 HG1 THR 56 -0.627 2.821 -8.684 409 HG21 THR 56 1HG2 THR 56 -0.241 5.495 -8.247 410 HG22 THR 56 2HG2 THR 56 0.171 5.240 -6.551 411 HG23 THR 56 3HG2 THR 56 -1.312 6.090 -6.981 412 H LEU 57 H LEU 57 -4.379 2.990 -5.969 413 HA LEU 57 HA LEU 57 -4.398 0.398 -5.026 414 HB2 LEU 57 2HB LEU 57 -6.387 1.822 -5.466 415 HB3 LEU 57 3HB LEU 57 -6.191 1.497 -7.186 416 HG LEU 57 HG LEU 57 -6.361 -1.019 -6.328 417 HD11 LEU 57 1HD1 LEU 57 -8.138 0.435 -4.384 418 HD12 LEU 57 2HD1 LEU 57 -6.553 -0.206 -3.952 419 HD13 LEU 57 3HD1 LEU 57 -7.828 -1.298 -4.493 420 HD21 LEU 57 1HD2 LEU 57 -7.876 -0.499 -7.944 421 HD22 LEU 57 2HD2 LEU 57 -8.393 0.985 -7.143 422 HD23 LEU 57 3HD2 LEU 57 -8.968 -0.579 -6.562 423 H ASP 58 H ASP 58 -3.617 1.575 -8.227 424 HA ASP 58 HA ASP 58 -3.695 -0.936 -9.549 425 HB2 ASP 58 2HB ASP 58 -2.154 1.571 -10.258 426 HB3 ASP 58 3HB ASP 58 -2.426 0.201 -11.331 427 H GLN 59 H GLN 59 -1.132 0.890 -7.940 428 HA GLN 59 HA GLN 59 0.973 -0.876 -8.651 429 HB2 GLN 59 2HB GLN 59 1.711 1.236 -8.015 430 HB3 GLN 59 3HB GLN 59 0.638 1.304 -6.624 431 HG2 GLN 59 2HG GLN 59 2.701 -0.800 -6.572 432 HG3 GLN 59 3HG GLN 59 3.272 0.864 -6.448 433 HE21 GLN 59 1HE2 GLN 59 1.377 2.089 -5.002 434 HE22 GLN 59 2HE2 GLN 59 1.252 1.387 -3.429 435 H LEU 60 H LEU 60 -0.785 -0.433 -5.578 436 HA LEU 60 HA LEU 60 0.371 -2.472 -4.128 437 HB2 LEU 60 2HB LEU 60 -1.925 -0.806 -3.915 438 HB3 LEU 60 3HB LEU 60 -2.399 -2.455 -3.514 439 HG LEU 60 HG LEU 60 -1.842 -1.351 -1.484 440 HD11 LEU 60 1HD1 LEU 60 0.707 -2.798 -1.853 441 HD12 LEU 60 2HD1 LEU 60 -0.770 -3.699 -2.190 442 HD13 LEU 60 3HD1 LEU 60 -0.527 -2.966 -0.605 443 HD21 LEU 60 1HD2 LEU 60 -0.259 0.268 -2.923 444 HD22 LEU 60 2HD2 LEU 60 0.965 -0.784 -2.209 445 HD23 LEU 60 3HD2 LEU 60 -0.146 0.110 -1.170 446 H ARG 61 H ARG 61 -2.332 -2.649 -6.403 447 HA ARG 61 HA ARG 61 -3.001 -5.344 -5.963 448 HB2 ARG 61 2HB ARG 61 -4.539 -3.939 -7.141 449 HB3 ARG 61 3HB ARG 61 -3.341 -3.562 -8.373 450 HG2 ARG 61 2HG ARG 61 -3.384 -5.918 -9.095 451 HG3 ARG 61 3HG ARG 61 -4.650 -6.232 -7.907 452 HD2 ARG 61 2HD ARG 61 -6.076 -5.739 -9.558 453 HD3 ARG 61 3HD ARG 61 -5.634 -4.060 -9.251 454 HE ARG 61 HE ARG 61 -3.749 -4.874 -11.005 455 HH11 ARG 61 1HH1 ARG 61 -7.227 -5.028 -11.002 456 HH12 ARG 61 2HH1 ARG 61 -7.363 -4.931 -12.727 457 HH21 ARG 61 1HH2 ARG 61 -3.915 -4.747 -13.277 458 HH22 ARG 61 2HH2 ARG 61 -5.478 -4.772 -14.019 459 H LEU 62 H LEU 62 -0.863 -3.847 -8.379 460 HA LEU 62 HA LEU 62 -0.103 -6.238 -9.654 461 HB2 LEU 62 2HB LEU 62 0.276 -3.656 -10.201 462 HB3 LEU 62 3HB LEU 62 1.845 -4.010 -9.482 463 HG LEU 62 HG LEU 62 1.946 -5.942 -11.185 464 HD11 LEU 62 1HD1 LEU 62 0.584 -4.764 -13.269 465 HD12 LEU 62 2HD1 LEU 62 -0.544 -4.641 -11.920 466 HD13 LEU 62 3HD1 LEU 62 0.094 -6.214 -12.393 467 HD21 LEU 62 1HD2 LEU 62 3.472 -4.184 -11.428 468 HD22 LEU 62 2HD2 LEU 62 2.207 -3.023 -11.835 469 HD23 LEU 62 3HD2 LEU 62 2.658 -4.278 -12.991 470 H VAL 63 H VAL 63 1.363 -4.425 -6.985 471 HA VAL 63 HA VAL 63 3.698 -5.886 -6.663 472 HB VAL 63 HB VAL 63 2.008 -4.659 -4.479 473 HG11 VAL 63 1HG1 VAL 63 4.937 -5.379 -4.506 474 HG12 VAL 63 2HG1 VAL 63 4.078 -4.569 -3.194 475 HG13 VAL 63 3HG1 VAL 63 3.673 -6.232 -3.620 476 HG21 VAL 63 1HG2 VAL 63 2.561 -2.694 -5.354 477 HG22 VAL 63 2HG2 VAL 63 4.260 -3.077 -5.075 478 HG23 VAL 63 3HG2 VAL 63 3.506 -3.482 -6.617 479 H ILE 64 H ILE 64 0.472 -6.505 -5.329 480 HA ILE 64 HA ILE 64 1.148 -8.712 -3.735 481 HB ILE 64 HB ILE 64 -1.473 -8.128 -5.119 482 HG12 ILE 64 2HG1 ILE 64 -0.969 -7.662 -2.212 483 HG13 ILE 64 3HG1 ILE 64 -0.336 -6.495 -3.368 484 HG21 ILE 64 1HG2 ILE 64 -2.195 -10.074 -4.340 485 HG22 ILE 64 2HG2 ILE 64 -0.615 -10.402 -3.632 486 HG23 ILE 64 3HG2 ILE 64 -1.836 -9.537 -2.699 487 HD11 ILE 64 1HD1 ILE 64 -2.609 -6.014 -2.367 488 HD12 ILE 64 2HD1 ILE 64 -2.479 -5.925 -4.123 489 HD13 ILE 64 3HD1 ILE 64 -3.212 -7.338 -3.363 490 H CYS 65 H CYS 65 -0.197 -8.622 -7.035 491 HA CYS 65 HA CYS 65 -0.219 -11.370 -7.493 492 HB2 CYS 65 2HB CYS 65 -0.169 -8.949 -9.232 493 HB3 CYS 65 3HB CYS 65 0.162 -10.507 -9.981 494 HG CYS 65 HG CYS 65 -2.270 -11.380 -10.056 495 H ASP 66 H ASP 66 2.393 -9.071 -7.600 496 HA ASP 66 HA ASP 66 4.218 -10.742 -9.035 497 HB2 ASP 66 2HB ASP 66 4.778 -8.366 -7.244 498 HB3 ASP 66 3HB ASP 66 5.916 -9.099 -8.371 499 H LEU 67 H LEU 67 4.205 -9.675 -5.627 500 HA LEU 67 HA LEU 67 6.185 -11.357 -4.690 501 HB2 LEU 67 2HB LEU 67 4.454 -9.529 -3.587 502 HB3 LEU 67 3HB LEU 67 3.973 -11.037 -2.814 503 HG LEU 67 HG LEU 67 6.694 -9.740 -2.735 504 HD11 LEU 67 1HD1 LEU 67 6.272 -9.500 -0.380 505 HD12 LEU 67 2HD1 LEU 67 4.733 -10.347 -0.529 506 HD13 LEU 67 3HD1 LEU 67 4.944 -8.765 -1.280 507 HD21 LEU 67 1HD2 LEU 67 5.812 -12.498 -2.159 508 HD22 LEU 67 2HD2 LEU 67 6.859 -11.743 -0.958 509 HD23 LEU 67 3HD2 LEU 67 7.397 -11.885 -2.632 510 H GLN 68 H GLN 68 2.737 -12.002 -5.099 511 HA GLN 68 HA GLN 68 2.777 -14.565 -3.876 512 HB2 GLN 68 2HB GLN 68 0.773 -12.981 -4.448 513 HB3 GLN 68 3HB GLN 68 0.791 -13.822 -5.992 514 HG2 GLN 68 2HG GLN 68 0.845 -15.539 -3.603 515 HG3 GLN 68 3HG GLN 68 -0.635 -14.616 -3.857 516 HE21 GLN 68 1HE2 GLN 68 -2.096 -15.878 -4.748 517 HE22 GLN 68 2HE2 GLN 68 -1.832 -16.981 -6.051 518 H GLU 69 H GLU 69 2.928 -13.486 -7.254 519 HA GLU 69 HA GLU 69 2.897 -15.933 -8.532 520 HB2 GLU 69 2HB GLU 69 2.829 -13.844 -9.763 521 HB3 GLU 69 3HB GLU 69 4.462 -13.449 -9.247 522 HG2 GLU 69 2HG GLU 69 5.423 -15.046 -10.633 523 HG3 GLU 69 3HG GLU 69 3.911 -15.934 -10.816 524 H ARG 70 H ARG 70 5.603 -14.273 -6.990 525 HA ARG 70 HA ARG 70 7.580 -16.145 -7.826 526 HB2 ARG 70 2HB ARG 70 7.455 -13.866 -5.918 527 HB3 ARG 70 3HB ARG 70 8.744 -15.039 -5.690 528 HG2 ARG 70 2HG ARG 70 8.495 -14.236 -8.460 529 HG3 ARG 70 3HG ARG 70 8.773 -12.861 -7.389 530 HD2 ARG 70 2HD ARG 70 10.861 -13.536 -6.844 531 HD3 ARG 70 3HD ARG 70 10.433 -15.245 -6.889 532 HE ARG 70 HE ARG 70 11.155 -15.321 -9.054 533 HH11 ARG 70 1HH1 ARG 70 10.598 -12.000 -8.171 534 HH12 ARG 70 2HH1 ARG 70 11.252 -11.363 -9.644 535 HH21 ARG 70 1HH2 ARG 70 12.020 -14.495 -10.996 536 HH22 ARG 70 2HH2 ARG 70 12.059 -12.783 -11.250 537 H ARG 71 H ARG 71 5.751 -15.691 -4.817 538 HA ARG 71 HA ARG 71 6.928 -17.658 -3.268 539 HB2 ARG 71 2HB ARG 71 5.159 -15.964 -2.585 540 HB3 ARG 71 3HB ARG 71 3.971 -17.071 -3.258 541 HG2 ARG 71 2HG ARG 71 5.743 -18.452 -1.461 542 HG3 ARG 71 3HG ARG 71 5.000 -17.060 -0.671 543 HD2 ARG 71 2HD ARG 71 3.575 -19.301 -2.100 544 HD3 ARG 71 3HD ARG 71 3.617 -19.020 -0.359 545 HE ARG 71 HE ARG 71 2.587 -16.747 -1.670 546 HH11 ARG 71 1HH1 ARG 71 1.738 -20.020 -0.848 547 HH12 ARG 71 2HH1 ARG 71 0.035 -19.704 -0.796 548 HH21 ARG 71 1HH2 ARG 71 0.349 -16.317 -1.603 549 HH22 ARG 71 2HH2 ARG 71 -0.754 -17.597 -1.226 550 H GLU 72 H GLU 72 4.353 -17.956 -5.672 551 HA GLU 72 HA GLU 72 3.827 -20.704 -5.190 552 HB2 GLU 72 2HB GLU 72 3.078 -18.700 -7.241 553 HB3 GLU 72 3HB GLU 72 2.999 -20.386 -7.735 554 HG2 GLU 72 2HG GLU 72 1.725 -19.549 -5.175 555 HG3 GLU 72 3HG GLU 72 0.918 -19.209 -6.705 556 H LYS 73 H LYS 73 5.714 -19.026 -7.696 557 HA LYS 73 HA LYS 73 6.574 -21.206 -9.155 558 HB2 LYS 73 2HB LYS 73 7.921 -18.586 -8.524 559 HB3 LYS 73 3HB LYS 73 8.653 -19.772 -9.598 560 HG2 LYS 73 2HG LYS 73 5.876 -18.741 -10.058 561 HG3 LYS 73 3HG LYS 73 7.300 -17.882 -10.648 562 HD2 LYS 73 2HD LYS 73 7.990 -20.028 -11.774 563 HD3 LYS 73 3HD LYS 73 6.400 -20.670 -11.355 564 HE2 LYS 73 2HE LYS 73 5.720 -18.307 -12.498 565 HE3 LYS 73 3HE LYS 73 7.175 -18.710 -13.407 566 HZ1 LYS 73 1HZ LYS 73 5.335 -20.908 -13.066 567 HZ2 LYS 73 2HZ LYS 73 6.152 -20.384 -14.452 568 HZ3 LYS 73 3HZ LYS 73 4.717 -19.624 -13.980 569 H PHE 74 H PHE 74 7.644 -20.088 -6.031 570 HA PHE 74 HA PHE 74 9.879 -21.963 -6.009 571 HB2 PHE 74 2HB PHE 74 10.134 -19.637 -5.107 572 HB3 PHE 74 3HB PHE 74 8.999 -20.062 -3.829 573 HD1 PHE 74 HD1 PHE 74 12.078 -21.515 -5.370 574 HD2 PHE 74 HD2 PHE 74 9.938 -20.580 -1.811 575 HE1 PHE 74 HE1 PHE 74 13.936 -22.403 -4.023 576 HE2 PHE 74 HE2 PHE 74 11.794 -21.465 -0.459 577 HZ PHE 74 HZ PHE 74 13.796 -22.377 -1.564 578 H GLY 75 H GLY 75 6.653 -21.607 -4.793 579 HA2 GLY 75 2HA GLY 75 5.745 -23.947 -4.288 580 HA3 GLY 75 3HA GLY 75 7.016 -23.973 -3.072 581 H SER 76 H SER 76 6.860 -22.573 -1.263 582 HA SER 76 HA SER 76 4.527 -20.944 -0.875 583 HB2 SER 76 2HB SER 76 4.566 -22.932 1.264 584 HB3 SER 76 3HB SER 76 3.205 -22.316 0.326 585 HG SER 76 HG SER 76 3.456 -24.493 -0.121 586 H SER 77 H SER 77 4.458 -20.115 1.445 587 HA SER 77 HA SER 77 6.677 -20.306 3.150 588 HB2 SER 77 2HB SER 77 8.052 -19.216 1.576 589 HB3 SER 77 3HB SER 77 6.776 -18.094 1.107 590 HG SER 77 HG SER 77 8.648 -17.769 2.959 591 H LYS 78 H LYS 78 6.024 -19.616 5.080 592 HA LYS 78 HA LYS 78 3.490 -18.435 5.458 593 HB2 LYS 78 2HB LYS 78 4.905 -19.899 7.066 594 HB3 LYS 78 3HB LYS 78 5.655 -18.380 7.540 595 HG2 LYS 78 2HG LYS 78 3.984 -18.636 9.109 596 HG3 LYS 78 3HG LYS 78 3.233 -17.571 7.920 597 HD2 LYS 78 2HD LYS 78 1.555 -19.034 7.817 598 HD3 LYS 78 3HD LYS 78 2.672 -20.141 7.015 599 HE2 LYS 78 2HE LYS 78 1.765 -21.353 8.819 600 HE3 LYS 78 3HE LYS 78 3.381 -20.877 9.336 601 HZ1 LYS 78 1HZ LYS 78 0.781 -19.754 10.184 602 HZ2 LYS 78 2HZ LYS 78 2.228 -18.910 10.418 603 HZ3 LYS 78 3HZ LYS 78 2.003 -20.421 11.146 604 H GLU 79 H GLU 79 6.777 -17.116 5.748 605 HA GLU 79 HA GLU 79 6.060 -14.539 6.575 606 HB2 GLU 79 2HB GLU 79 8.447 -15.434 4.949 607 HB3 GLU 79 3HB GLU 79 8.288 -13.860 5.718 608 HG2 GLU 79 2HG GLU 79 8.071 -15.053 7.908 609 HG3 GLU 79 3HG GLU 79 8.486 -16.541 7.060 610 H ILE 80 H ILE 80 6.780 -15.742 3.300 611 HA ILE 80 HA ILE 80 6.289 -13.366 1.923 612 HB ILE 80 HB ILE 80 5.828 -16.184 0.936 613 HG12 ILE 80 2HG1 ILE 80 8.272 -14.433 0.613 614 HG13 ILE 80 3HG1 ILE 80 8.123 -15.686 1.840 615 HG21 ILE 80 1HG2 ILE 80 4.907 -15.066 -0.787 616 HG22 ILE 80 2HG2 ILE 80 5.671 -13.540 -0.342 617 HG23 ILE 80 3HG2 ILE 80 6.587 -14.757 -1.231 618 HD11 ILE 80 1HD1 ILE 80 7.482 -16.964 -0.534 619 HD12 ILE 80 2HD1 ILE 80 8.833 -15.907 -0.943 620 HD13 ILE 80 3HD1 ILE 80 8.996 -17.081 0.362 621 H ASP 81 H ASP 81 4.081 -16.063 2.628 622 HA ASP 81 HA ASP 81 1.820 -15.148 1.327 623 HB2 ASP 81 2HB ASP 81 1.969 -17.367 2.362 624 HB3 ASP 81 3HB ASP 81 1.959 -16.630 3.962 625 H MET 82 H MET 82 3.033 -14.295 4.534 626 HA MET 82 HA MET 82 0.825 -12.771 5.372 627 HB2 MET 82 2HB MET 82 3.603 -13.167 6.226 628 HB3 MET 82 3HB MET 82 2.966 -11.572 6.605 629 HG2 MET 82 2HG MET 82 1.079 -12.604 7.766 630 HG3 MET 82 3HG MET 82 1.729 -14.199 7.394 631 HE1 MET 82 1HE MET 82 3.887 -14.955 7.892 632 HE2 MET 82 2HE MET 82 4.999 -14.379 9.134 633 HE3 MET 82 3HE MET 82 3.600 -15.355 9.586 634 H ALA 83 H ALA 83 3.900 -11.729 3.899 635 HA ALA 83 HA ALA 83 3.432 -9.015 3.764 636 HB1 ALA 83 1HB ALA 83 4.998 -10.876 2.019 637 HB2 ALA 83 2HB ALA 83 4.889 -9.157 1.639 638 HB3 ALA 83 3HB ALA 83 5.578 -9.679 3.176 639 H ILE 84 H ILE 84 2.259 -11.565 1.644 640 HA ILE 84 HA ILE 84 1.239 -9.906 -0.399 641 HB ILE 84 HB ILE 84 0.300 -12.649 0.446 642 HG12 ILE 84 2HG1 ILE 84 2.114 -11.994 -1.866 643 HG13 ILE 84 3HG1 ILE 84 2.756 -12.290 -0.254 644 HG21 ILE 84 1HG2 ILE 84 -0.054 -12.158 -2.325 645 HG22 ILE 84 2HG2 ILE 84 -1.280 -12.475 -1.099 646 HG23 ILE 84 3HG2 ILE 84 -0.777 -10.818 -1.434 647 HD11 ILE 84 1HD1 ILE 84 1.201 -14.455 -0.529 648 HD12 ILE 84 2HD1 ILE 84 1.619 -14.161 -2.217 649 HD13 ILE 84 3HD1 ILE 84 2.894 -14.396 -1.021 650 H VAL 85 H VAL 85 -0.488 -11.580 2.239 651 HA VAL 85 HA VAL 85 -2.983 -10.415 1.808 652 HB VAL 85 HB VAL 85 -1.826 -11.303 4.454 653 HG11 VAL 85 1HG1 VAL 85 -4.458 -11.834 4.614 654 HG12 VAL 85 2HG1 VAL 85 -3.732 -10.329 5.180 655 HG13 VAL 85 3HG1 VAL 85 -4.499 -10.398 3.593 656 HG21 VAL 85 1HG2 VAL 85 -3.581 -13.236 3.473 657 HG22 VAL 85 2HG2 VAL 85 -2.583 -12.778 2.093 658 HG23 VAL 85 3HG2 VAL 85 -1.824 -13.350 3.579 659 H THR 86 H THR 86 -0.238 -9.297 3.719 660 HA THR 86 HA THR 86 -1.467 -7.180 5.060 661 HB THR 86 HB THR 86 1.382 -7.146 4.060 662 HG1 THR 86 HG1 THR 86 1.705 -8.804 5.320 663 HG21 THR 86 1HG2 THR 86 1.274 -6.147 6.635 664 HG22 THR 86 2HG2 THR 86 -0.195 -5.519 5.888 665 HG23 THR 86 3HG2 THR 86 1.375 -5.193 5.155 666 H LEU 87 H LEU 87 0.174 -7.231 1.908 667 HA LEU 87 HA LEU 87 -0.108 -4.494 1.339 668 HB2 LEU 87 2HB LEU 87 0.282 -6.935 -0.350 669 HB3 LEU 87 3HB LEU 87 0.040 -5.356 -1.095 670 HG LEU 87 HG LEU 87 2.259 -5.977 0.850 671 HD11 LEU 87 1HD1 LEU 87 2.205 -6.052 -2.156 672 HD12 LEU 87 2HD1 LEU 87 2.666 -7.340 -1.044 673 HD13 LEU 87 3HD1 LEU 87 3.691 -5.916 -1.216 674 HD21 LEU 87 1HD2 LEU 87 1.280 -3.565 0.238 675 HD22 LEU 87 2HD2 LEU 87 2.392 -3.771 -1.116 676 HD23 LEU 87 3HD2 LEU 87 2.993 -3.858 0.541 677 H LYS 88 H LYS 88 -2.211 -7.257 0.707 678 HA LYS 88 HA LYS 88 -4.102 -5.854 -0.873 679 HB2 LYS 88 2HB LYS 88 -4.511 -8.344 0.794 680 HB3 LYS 88 3HB LYS 88 -5.555 -7.785 -0.507 681 HG2 LYS 88 2HG LYS 88 -4.187 -8.560 -2.120 682 HG3 LYS 88 3HG LYS 88 -2.721 -8.185 -1.212 683 HD2 LYS 88 2HD LYS 88 -2.548 -10.314 -0.602 684 HD3 LYS 88 3HD LYS 88 -4.128 -10.227 0.179 685 HE2 LYS 88 2HE LYS 88 -5.243 -10.942 -1.772 686 HE3 LYS 88 3HE LYS 88 -3.821 -10.668 -2.778 687 HZ1 LYS 88 1HZ LYS 88 -3.063 -12.694 -2.332 688 HZ2 LYS 88 2HZ LYS 88 -4.573 -13.041 -1.652 689 HZ3 LYS 88 3HZ LYS 88 -3.302 -12.519 -0.666 690 H VAL 89 H VAL 89 -4.234 -6.922 2.530 691 HA VAL 89 HA VAL 89 -6.640 -5.785 3.249 692 HB VAL 89 HB VAL 89 -4.157 -6.001 4.959 693 HG11 VAL 89 1HG1 VAL 89 -5.810 -6.064 6.837 694 HG12 VAL 89 2HG1 VAL 89 -5.685 -4.505 6.020 695 HG13 VAL 89 3HG1 VAL 89 -7.049 -5.572 5.684 696 HG21 VAL 89 1HG2 VAL 89 -4.710 -8.167 5.428 697 HG22 VAL 89 2HG2 VAL 89 -6.429 -7.913 5.122 698 HG23 VAL 89 3HG2 VAL 89 -5.305 -8.066 3.771 699 H PHE 90 H PHE 90 -3.493 -4.259 2.920 700 HA PHE 90 HA PHE 90 -4.389 -1.751 4.029 701 HB2 PHE 90 2HB PHE 90 -2.074 -2.361 4.348 702 HB3 PHE 90 3HB PHE 90 -1.839 -2.541 2.613 703 HD1 PHE 90 HD1 PHE 90 -2.212 -0.168 5.369 704 HD2 PHE 90 HD2 PHE 90 -1.575 -0.617 1.185 705 HE1 PHE 90 HE1 PHE 90 -1.517 2.187 5.226 706 HE2 PHE 90 HE2 PHE 90 -0.878 1.737 1.035 707 HZ PHE 90 HZ PHE 90 -0.847 3.143 3.057 708 H ALA 91 H ALA 91 -3.867 -3.142 0.846 709 HA ALA 91 HA ALA 91 -4.137 -0.755 -0.644 710 HB1 ALA 91 1HB ALA 91 -3.162 -2.891 -1.490 711 HB2 ALA 91 2HB ALA 91 -4.800 -3.540 -1.578 712 HB3 ALA 91 3HB ALA 91 -4.347 -2.154 -2.569 713 H VAL 92 H VAL 92 -6.467 -3.220 0.374 714 HA VAL 92 HA VAL 92 -8.675 -1.953 -0.956 715 HB VAL 92 HB VAL 92 -8.816 -4.035 1.225 716 HG11 VAL 92 1HG1 VAL 92 -10.739 -2.821 -0.661 717 HG12 VAL 92 2HG1 VAL 92 -10.866 -4.564 -0.419 718 HG13 VAL 92 3HG1 VAL 92 -10.990 -3.469 0.959 719 HG21 VAL 92 1HG2 VAL 92 -9.171 -5.311 -1.210 720 HG22 VAL 92 2HG2 VAL 92 -7.798 -4.238 -1.481 721 HG23 VAL 92 3HG2 VAL 92 -7.752 -5.413 -0.168 722 H ALA 93 H ALA 93 -7.838 -2.450 2.478 723 HA ALA 93 HA ALA 93 -9.875 -0.754 3.469 724 HB1 ALA 93 1HB ALA 93 -8.533 -2.584 4.689 725 HB2 ALA 93 2HB ALA 93 -7.341 -1.313 4.964 726 HB3 ALA 93 3HB ALA 93 -8.983 -1.130 5.582 727 H GLY 94 H GLY 94 -6.975 -0.058 1.892 728 HA2 GLY 94 2HA GLY 94 -6.684 2.561 3.182 729 HA3 GLY 94 3HA GLY 94 -5.531 1.821 2.082 730 H LEU 95 H LEU 95 -6.314 1.555 -0.205 731 HA LEU 95 HA LEU 95 -7.043 4.051 -1.254 732 HB2 LEU 95 2HB LEU 95 -6.941 1.294 -2.440 733 HB3 LEU 95 3HB LEU 95 -7.419 2.700 -3.389 734 HG LEU 95 HG LEU 95 -5.127 2.251 -3.850 735 HD11 LEU 95 1HD1 LEU 95 -4.157 4.336 -3.387 736 HD12 LEU 95 2HD1 LEU 95 -5.053 4.515 -1.879 737 HD13 LEU 95 3HD1 LEU 95 -5.895 4.640 -3.423 738 HD21 LEU 95 1HD2 LEU 95 -4.478 2.499 -0.925 739 HD22 LEU 95 2HD2 LEU 95 -3.439 1.941 -2.237 740 HD23 LEU 95 3HD2 LEU 95 -4.793 0.946 -1.700 741 H LEU 96 H LEU 96 -8.932 1.109 -0.712 742 HA LEU 96 HA LEU 96 -11.347 2.394 -1.701 743 HB2 LEU 96 2HB LEU 96 -10.427 -0.263 -1.492 744 HB3 LEU 96 3HB LEU 96 -11.837 -0.130 -0.442 745 HG LEU 96 HG LEU 96 -12.081 0.935 -3.203 746 HD11 LEU 96 1HD1 LEU 96 -12.092 -2.012 -2.567 747 HD12 LEU 96 2HD1 LEU 96 -10.913 -1.170 -3.572 748 HD13 LEU 96 3HD1 LEU 96 -12.595 -1.282 -4.092 749 HD21 LEU 96 1HD2 LEU 96 -13.934 -0.711 -1.488 750 HD22 LEU 96 2HD2 LEU 96 -14.342 0.164 -2.963 751 HD23 LEU 96 3HD2 LEU 96 -13.893 1.051 -1.507 752 H ASN 97 H ASN 97 -9.674 2.435 1.122 753 HA ASN 97 HA ASN 97 -10.162 2.884 3.303 754 HB2 ASN 97 2HB ASN 97 -11.547 4.664 1.693 755 HB3 ASN 97 3HB ASN 97 -12.777 4.088 2.814 756 HD21 ASN 97 1HD2 ASN 97 -11.784 6.722 2.694 757 HD22 ASN 97 2HD2 ASN 97 -10.992 7.060 4.192 758 H MET 98 H MET 98 -11.137 0.345 2.209 759 HA MET 98 HA MET 98 -13.714 -0.204 3.286 760 HB2 MET 98 2HB MET 98 -11.591 -1.691 1.924 761 HB3 MET 98 3HB MET 98 -12.449 -2.647 3.124 762 HG2 MET 98 2HG MET 98 -14.222 -1.091 1.418 763 HG3 MET 98 3HG MET 98 -13.225 -2.241 0.530 764 HE1 MET 98 1HE MET 98 -16.321 -3.759 0.255 765 HE2 MET 98 2HE MET 98 -14.700 -3.474 -0.382 766 HE3 MET 98 3HE MET 98 -15.099 -5.027 0.354 767 H THR 99 H THR 99 -14.178 -1.664 5.057 768 HA THR 99 HA THR 99 -12.296 -1.277 7.278 769 HB THR 99 HB THR 99 -15.176 -2.148 7.506 770 HG1 THR 99 HG1 THR 99 -15.724 -0.015 7.686 771 HG21 THR 99 1HG2 THR 99 -14.456 -0.683 9.732 772 HG22 THR 99 2HG2 THR 99 -13.001 -1.610 9.368 773 HG23 THR 99 3HG2 THR 99 -14.533 -2.442 9.631 774 H VAL 100 H VAL 100 -11.121 -3.126 6.097 775 HA VAL 100 HA VAL 100 -12.020 -5.730 5.983 776 HB VAL 100 HB VAL 100 -9.237 -4.810 6.720 777 HG11 VAL 100 1HG1 VAL 100 -10.177 -7.451 5.603 778 HG12 VAL 100 2HG1 VAL 100 -8.500 -6.984 5.893 779 HG13 VAL 100 3HG1 VAL 100 -9.612 -7.169 7.249 780 HG21 VAL 100 1HG2 VAL 100 -10.374 -5.529 4.020 781 HG22 VAL 100 2HG2 VAL 100 -10.112 -3.883 4.596 782 HG23 VAL 100 3HG2 VAL 100 -8.740 -4.964 4.363 783 H SER 101 H SER 101 -12.527 -7.255 7.420 784 HA SER 101 HA SER 101 -12.267 -6.628 10.255 785 HB2 SER 101 2HB SER 101 -13.544 -9.115 9.970 786 HB3 SER 101 3HB SER 101 -14.307 -7.559 10.294 787 HG SER 101 HG SER 101 -15.072 -7.572 8.344 788 H THR 102 H THR 102 -11.118 -8.934 7.882 789 HA THR 102 HA THR 102 -9.084 -9.827 9.772 790 HB THR 102 HB THR 102 -9.451 -12.166 9.428 791 HG1 THR 102 HG1 THR 102 -11.534 -12.641 8.161 792 HG21 THR 102 1HG2 THR 102 -11.548 -12.503 10.529 793 HG22 THR 102 2HG2 THR 102 -12.171 -10.964 9.932 794 HG23 THR 102 3HG2 THR 102 -10.875 -10.987 11.127 795 H ALA 103 H ALA 103 -7.189 -10.543 8.811 796 HA ALA 103 HA ALA 103 -6.428 -9.447 6.398 797 HB1 ALA 103 1HB ALA 103 -4.505 -10.050 7.341 798 HB2 ALA 103 2HB ALA 103 -5.286 -11.300 8.310 799 HB3 ALA 103 3HB ALA 103 -4.778 -11.654 6.659 800 H ALA 104 H ALA 104 -7.820 -12.614 7.043 801 HA ALA 104 HA ALA 104 -7.393 -13.689 4.450 802 HB1 ALA 104 1HB ALA 104 -7.780 -15.169 6.299 803 HB2 ALA 104 2HB ALA 104 -9.360 -14.445 6.605 804 HB3 ALA 104 3HB ALA 104 -9.086 -15.373 5.131 805 H ALA 105 H ALA 105 -9.977 -11.811 5.915 806 HA ALA 105 HA ALA 105 -11.904 -12.161 3.885 807 HB1 ALA 105 1HB ALA 105 -11.581 -9.782 5.709 808 HB2 ALA 105 2HB ALA 105 -13.046 -10.280 4.860 809 HB3 ALA 105 3HB ALA 105 -12.388 -11.286 6.151 810 H ALA 106 H ALA 106 -9.328 -9.783 4.340 811 HA ALA 106 HA ALA 106 -10.036 -8.121 2.160 812 HB1 ALA 106 1HB ALA 106 -8.196 -8.003 4.203 813 HB2 ALA 106 2HB ALA 106 -7.191 -8.173 2.764 814 HB3 ALA 106 3HB ALA 106 -8.350 -6.849 2.878 815 H GLU 107 H GLU 107 -7.482 -10.594 2.469 816 HA GLU 107 HA GLU 107 -6.624 -10.503 -0.193 817 HB2 GLU 107 2HB GLU 107 -5.441 -12.506 0.249 818 HB3 GLU 107 3HB GLU 107 -5.470 -11.622 1.768 819 HG2 GLU 107 2HG GLU 107 -7.283 -13.024 2.572 820 HG3 GLU 107 3HG GLU 107 -7.304 -13.894 1.039 821 H ASN 108 H ASN 108 -9.359 -12.050 1.282 822 HA ASN 108 HA ASN 108 -9.892 -13.844 -0.891 823 HB2 ASN 108 2HB ASN 108 -11.252 -13.073 1.643 824 HB3 ASN 108 3HB ASN 108 -12.251 -13.768 0.369 825 HD21 ASN 108 1HD2 ASN 108 -10.801 -15.662 -0.745 826 HD22 ASN 108 2HD2 ASN 108 -10.323 -16.864 0.401 827 H MET 109 H MET 109 -10.884 -10.607 0.017 828 HA MET 109 HA MET 109 -12.995 -10.397 -1.890 829 HB2 MET 109 2HB MET 109 -11.777 -8.724 0.134 830 HB3 MET 109 3HB MET 109 -12.081 -7.811 -1.338 831 HG2 MET 109 2HG MET 109 -14.020 -7.525 -0.110 832 HG3 MET 109 3HG MET 109 -14.435 -8.811 -1.240 833 HE1 MET 109 1HE MET 109 -15.169 -10.719 -0.920 834 HE2 MET 109 2HE MET 109 -14.586 -11.867 0.284 835 HE3 MET 109 3HE MET 109 -16.128 -11.044 0.524 836 H TYR 110 H TYR 110 -9.657 -9.163 -1.801 837 HA TYR 110 HA TYR 110 -9.703 -7.958 -4.340 838 HB2 TYR 110 2HB TYR 110 -7.853 -8.235 -2.258 839 HB3 TYR 110 3HB TYR 110 -7.080 -8.980 -3.652 840 HD1 TYR 110 HD1 TYR 110 -5.545 -7.525 -4.568 841 HD2 TYR 110 HD2 TYR 110 -9.291 -5.988 -3.262 842 HE1 TYR 110 HE1 TYR 110 -4.922 -5.301 -5.417 843 HE2 TYR 110 HE2 TYR 110 -8.680 -3.762 -4.108 844 HH TYR 110 HH TYR 110 -6.623 -3.097 -6.223 845 H SER 111 H SER 111 -8.552 -11.158 -3.305 846 HA SER 111 HA SER 111 -7.675 -12.052 -5.807 847 HB2 SER 111 2HB SER 111 -7.228 -13.143 -3.572 848 HB3 SER 111 3HB SER 111 -8.863 -13.800 -3.644 849 HG SER 111 HG SER 111 -6.613 -14.436 -5.176 850 H GLN 112 H GLN 112 -10.810 -12.522 -4.192 851 HA GLN 112 HA GLN 112 -12.013 -13.988 -6.270 852 HB2 GLN 112 2HB GLN 112 -13.118 -12.342 -4.008 853 HB3 GLN 112 3HB GLN 112 -14.178 -13.118 -5.177 854 HG2 GLN 112 2HG GLN 112 -12.098 -14.746 -3.803 855 HG3 GLN 112 3HG GLN 112 -13.562 -14.296 -2.929 856 HE21 GLN 112 1HE2 GLN 112 -14.589 -16.201 -2.819 857 HE22 GLN 112 2HE2 GLN 112 -15.083 -17.135 -4.186 858 H MET 113 H MET 113 -11.872 -10.523 -5.600 859 HA MET 113 HA MET 113 -13.677 -9.691 -7.590 860 HB2 MET 113 2HB MET 113 -11.420 -8.342 -6.141 861 HB3 MET 113 3HB MET 113 -12.274 -7.512 -7.434 862 HG2 MET 113 2HG MET 113 -14.116 -8.697 -5.556 863 HG3 MET 113 3HG MET 113 -12.978 -7.619 -4.752 864 HE1 MET 113 1HE MET 113 -13.369 -4.790 -4.892 865 HE2 MET 113 2HE MET 113 -12.233 -5.458 -6.063 866 HE3 MET 113 3HE MET 113 -13.443 -4.281 -6.580 867 H GLY 114 H GLY 114 -10.494 -10.927 -7.796 868 HA2 GLY 114 2HA GLY 114 -9.597 -11.656 -9.883 869 HA3 GLY 114 3HA GLY 114 -10.493 -10.373 -10.681 870 H LEU 115 H LEU 115 -8.718 -9.703 -7.775 871 HA LEU 115 HA LEU 115 -6.826 -8.112 -9.364 872 HB2 LEU 115 2HB LEU 115 -7.610 -7.853 -6.465 873 HB3 LEU 115 3HB LEU 115 -6.472 -6.810 -7.316 874 HG LEU 115 HG LEU 115 -8.911 -6.772 -8.760 875 HD11 LEU 115 1HD1 LEU 115 -9.521 -5.775 -6.047 876 HD12 LEU 115 2HD1 LEU 115 -9.604 -7.520 -6.288 877 HD13 LEU 115 3HD1 LEU 115 -10.589 -6.445 -7.280 878 HD21 LEU 115 1HD2 LEU 115 -7.798 -4.822 -8.960 879 HD22 LEU 115 2HD2 LEU 115 -7.117 -4.918 -7.335 880 HD23 LEU 115 3HD2 LEU 115 -8.775 -4.361 -7.566 881 H ASP 116 H ASP 116 -7.093 -10.695 -7.077 882 HA ASP 116 HA ASP 116 -4.161 -10.970 -7.098 883 HB2 ASP 116 2HB ASP 116 -4.586 -10.340 -4.879 884 HB3 ASP 116 3HB ASP 116 -6.082 -11.266 -4.806 885 H THR 117 H THR 117 -3.342 -13.090 -7.136 886 HA THR 117 HA THR 117 -5.127 -14.994 -8.408 887 HB THR 117 HB THR 117 -2.920 -16.368 -8.502 888 HG1 THR 117 HG1 THR 117 -1.733 -13.816 -8.237 889 HG21 THR 117 1HG2 THR 117 -3.216 -13.771 -10.017 890 HG22 THR 117 2HG2 THR 117 -3.946 -15.317 -10.449 891 HG23 THR 117 3HG2 THR 117 -2.194 -15.125 -10.496 892 H ARG 118 H ARG 118 -4.875 -17.348 -7.785 893 HA ARG 118 HA ARG 118 -4.898 -17.576 -4.848 894 HB2 ARG 118 2HB ARG 118 -6.357 -19.644 -5.369 895 HB3 ARG 118 3HB ARG 118 -7.083 -18.048 -5.513 896 HG2 ARG 118 2HG ARG 118 -7.354 -18.225 -7.742 897 HG3 ARG 118 3HG ARG 118 -5.850 -19.121 -7.962 898 HD2 ARG 118 2HD ARG 118 -8.316 -20.311 -6.710 899 HD3 ARG 118 3HD ARG 118 -7.974 -20.396 -8.438 900 HE ARG 118 HE ARG 118 -5.723 -21.356 -7.169 901 HH11 ARG 118 1HH1 ARG 118 -9.098 -22.194 -7.336 902 HH12 ARG 118 2HH1 ARG 118 -8.824 -23.886 -7.088 903 HH21 ARG 118 1HH2 ARG 118 -5.350 -23.583 -6.842 904 HH22 ARG 118 2HH2 ARG 118 -6.691 -24.676 -6.806 905 HA PRO 119 HA PRO 119 -1.688 -20.565 -4.964 906 HB2 PRO 119 2HB PRO 119 -2.443 -22.272 -2.992 907 HB3 PRO 119 3HB PRO 119 -1.826 -20.647 -2.672 908 HG2 PRO 119 2HG PRO 119 -4.656 -21.619 -2.746 909 HG3 PRO 119 3HG PRO 119 -3.881 -20.523 -1.589 910 HD2 PRO 119 2HD PRO 119 -5.445 -19.636 -3.613 911 HD3 PRO 119 3HD PRO 119 -4.063 -18.706 -2.996 912 H21 MYR 201 1H2 MYR 1 6.085 11.495 5.172 913 H22 MYR 201 2H2 MYR 1 6.682 11.842 6.783 914 H31 MYR 201 1H3 MYR 1 6.613 9.479 6.904 915 H32 MYR 201 2H3 MYR 1 8.269 9.677 6.327 916 H41 MYR 201 1H4 MYR 1 7.428 8.059 4.811 917 H42 MYR 201 2H4 MYR 1 7.228 9.547 3.883 918 H51 MYR 201 1H5 MYR 1 4.789 9.634 4.972 919 H52 MYR 201 2H5 MYR 1 5.072 7.941 5.378 920 H61 MYR 201 1H6 MYR 1 5.869 8.197 2.615 921 H62 MYR 201 2H6 MYR 1 4.388 9.146 2.759 922 H71 MYR 201 1H7 MYR 1 3.062 7.273 3.042 923 H72 MYR 201 2H7 MYR 1 4.166 6.547 4.212 924 H81 MYR 201 1H8 MYR 1 4.917 5.088 2.619 925 H82 MYR 201 2H8 MYR 1 5.536 6.436 1.660 926 H91 MYR 201 1H9 MYR 1 3.679 6.479 0.226 927 H92 MYR 201 2H9 MYR 1 2.540 5.987 1.478 928 H101 MYR 201 1H10 MYR 1 4.251 3.725 1.208 929 H102 MYR 201 2H10 MYR 1 4.084 4.285 -0.448 930 H111 MYR 201 1H11 MYR 1 1.771 3.777 -0.527 931 H112 MYR 201 2H11 MYR 1 1.531 4.142 1.174 932 H121 MYR 201 1H12 MYR 1 1.270 1.822 1.254 933 H122 MYR 201 2H12 MYR 1 2.990 1.937 1.625 934 H131 MYR 201 1H13 MYR 1 3.573 1.509 -0.795 935 H132 MYR 201 2H13 MYR 1 1.859 1.453 -1.216 936 H141 MYR 201 1H14 MYR 1 1.503 -0.643 -0.034 937 H142 MYR 201 2H14 MYR 1 3.101 -0.847 -0.789 938 H143 MYR 201 3H14 MYR 1 2.983 -0.455 0.942 Start of MODEL 12 1 H GLY 2 H GLY 2 8.733 9.402 4.363 2 HA2 GLY 2 2HA GLY 2 10.275 10.671 5.541 3 HA3 GLY 2 3HA GLY 2 9.634 12.112 4.766 4 H ASN 3 H ASN 3 7.808 13.152 5.672 5 HA ASN 3 HA ASN 3 7.521 12.621 8.542 6 HB2 ASN 3 2HB ASN 3 6.826 15.077 6.914 7 HB3 ASN 3 3HB ASN 3 6.601 14.924 8.654 8 HD21 ASN 3 1HD2 ASN 3 8.457 14.733 9.989 9 HD22 ASN 3 2HD2 ASN 3 9.986 15.342 9.462 10 H GLY 4 H GLY 4 5.242 13.418 9.363 11 HA2 GLY 4 2HA GLY 4 3.298 11.783 7.905 12 HA3 GLY 4 3HA GLY 4 3.155 12.320 9.573 13 H GLN 5 H GLN 5 1.986 12.749 6.513 14 HA GLN 5 HA GLN 5 0.354 14.944 7.260 15 HB2 GLN 5 2HB GLN 5 1.196 16.492 5.434 16 HB3 GLN 5 3HB GLN 5 2.211 16.356 6.863 17 HG2 GLN 5 2HG GLN 5 3.746 14.929 5.723 18 HG3 GLN 5 3HG GLN 5 2.673 14.804 4.331 19 HE21 GLN 5 1HE2 GLN 5 4.096 17.399 6.296 20 HE22 GLN 5 2HE2 GLN 5 4.629 18.351 4.957 21 H GLY 6 H GLY 6 -0.690 12.752 6.525 22 HA2 GLY 6 2HA GLY 6 -1.738 13.260 3.853 23 HA3 GLY 6 3HA GLY 6 -0.954 11.708 4.097 24 H ARG 7 H ARG 7 -3.863 12.954 3.802 25 HA ARG 7 HA ARG 7 -5.263 11.999 6.083 26 HB2 ARG 7 2HB ARG 7 -5.934 13.169 3.479 27 HB3 ARG 7 3HB ARG 7 -7.124 12.013 4.063 28 HG2 ARG 7 2HG ARG 7 -7.846 14.101 4.841 29 HG3 ARG 7 3HG ARG 7 -7.110 13.313 6.238 30 HD2 ARG 7 2HD ARG 7 -4.997 14.553 5.704 31 HD3 ARG 7 3HD ARG 7 -5.906 15.450 4.489 32 HE ARG 7 HE ARG 7 -7.370 15.810 6.729 33 HH11 ARG 7 1HH1 ARG 7 -3.992 16.228 6.001 34 HH12 ARG 7 2HH1 ARG 7 -3.770 17.513 7.140 35 HH21 ARG 7 1HH2 ARG 7 -7.092 17.503 8.234 36 HH22 ARG 7 2HH2 ARG 7 -5.534 18.237 8.410 37 H ASP 8 H ASP 8 -5.135 10.739 2.746 38 HA ASP 8 HA ASP 8 -6.460 8.335 3.260 39 HB2 ASP 8 2HB ASP 8 -4.704 9.374 1.108 40 HB3 ASP 8 3HB ASP 8 -4.869 7.622 1.204 41 H TRP 9 H TRP 9 -3.203 9.305 3.906 42 HA TRP 9 HA TRP 9 -2.094 6.687 4.145 43 HB2 TRP 9 2HB TRP 9 -0.653 8.603 3.728 44 HB3 TRP 9 3HB TRP 9 -1.155 9.344 5.246 45 HD1 TRP 9 HD1 TRP 9 0.543 9.037 7.123 46 HE1 TRP 9 HE1 TRP 9 2.362 7.315 7.714 47 HE3 TRP 9 HE3 TRP 9 -0.166 5.754 3.268 48 HZ2 TRP 9 HZ2 TRP 9 3.364 4.886 6.683 49 HZ3 TRP 9 HZ3 TRP 9 1.265 3.756 3.143 50 HH2 TRP 9 HH2 TRP 9 2.993 3.333 4.816 51 H LYS 10 H LYS 10 -2.727 9.132 6.668 52 HA LYS 10 HA LYS 10 -2.495 7.352 8.824 53 HB2 LYS 10 2HB LYS 10 -3.766 10.052 8.492 54 HB3 LYS 10 3HB LYS 10 -3.923 9.175 10.008 55 HG2 LYS 10 2HG LYS 10 -1.295 8.985 9.743 56 HG3 LYS 10 3HG LYS 10 -1.542 10.447 8.784 57 HD2 LYS 10 2HD LYS 10 -2.014 11.692 10.594 58 HD3 LYS 10 3HD LYS 10 -2.992 10.422 11.331 59 HE2 LYS 10 2HE LYS 10 -1.168 9.439 12.362 60 HE3 LYS 10 3HE LYS 10 -0.018 10.143 11.226 61 HZ1 LYS 10 1HZ LYS 10 -1.321 11.391 13.551 62 HZ2 LYS 10 2HZ LYS 10 -0.786 12.357 12.270 63 HZ3 LYS 10 3HZ LYS 10 0.313 11.389 13.116 64 H MET 11 H MET 11 -5.250 8.288 6.849 65 HA MET 11 HA MET 11 -7.245 7.093 8.466 66 HB2 MET 11 2HB MET 11 -7.164 7.863 5.553 67 HB3 MET 11 3HB MET 11 -8.589 7.154 6.300 68 HG2 MET 11 2HG MET 11 -8.890 9.003 7.725 69 HG3 MET 11 3HG MET 11 -7.284 9.634 7.367 70 HE1 MET 11 1HE MET 11 -8.980 12.381 6.382 71 HE2 MET 11 2HE MET 11 -10.571 11.628 6.258 72 HE3 MET 11 3HE MET 11 -9.516 11.242 7.618 73 H ALA 12 H ALA 12 -5.234 5.910 5.831 74 HA ALA 12 HA ALA 12 -6.567 3.462 5.408 75 HB1 ALA 12 1HB ALA 12 -3.825 4.479 4.796 76 HB2 ALA 12 2HB ALA 12 -4.212 2.777 4.544 77 HB3 ALA 12 3HB ALA 12 -5.126 4.025 3.695 78 H ILE 13 H ILE 13 -3.749 4.283 7.417 79 HA ILE 13 HA ILE 13 -3.463 1.638 8.456 80 HB ILE 13 HB ILE 13 -2.364 4.243 9.522 81 HG12 ILE 13 2HG1 ILE 13 -1.120 2.152 7.722 82 HG13 ILE 13 3HG1 ILE 13 -1.627 3.764 7.231 83 HG21 ILE 13 1HG2 ILE 13 -0.742 1.994 10.142 84 HG22 ILE 13 2HG2 ILE 13 -1.573 3.091 11.243 85 HG23 ILE 13 3HG2 ILE 13 -2.394 1.646 10.654 86 HD11 ILE 13 1HD1 ILE 13 0.688 2.954 8.933 87 HD12 ILE 13 2HD1 ILE 13 0.658 3.976 7.495 88 HD13 ILE 13 3HD1 ILE 13 0.025 4.585 9.024 89 H LYS 14 H LYS 14 -4.940 4.627 9.636 90 HA LYS 14 HA LYS 14 -5.532 3.880 12.236 91 HB2 LYS 14 2HB LYS 14 -5.879 6.147 11.429 92 HB3 LYS 14 3HB LYS 14 -7.148 5.597 10.343 93 HG2 LYS 14 2HG LYS 14 -7.619 4.883 13.131 94 HG3 LYS 14 3HG LYS 14 -7.525 6.623 12.848 95 HD2 LYS 14 2HD LYS 14 -9.204 6.399 11.059 96 HD3 LYS 14 3HD LYS 14 -9.321 4.671 11.405 97 HE2 LYS 14 2HE LYS 14 -9.705 5.750 13.875 98 HE3 LYS 14 3HE LYS 14 -10.448 6.969 12.841 99 HZ1 LYS 14 1HZ LYS 14 -11.331 4.563 11.861 100 HZ2 LYS 14 2HZ LYS 14 -12.221 5.660 12.792 101 HZ3 LYS 14 3HZ LYS 14 -11.403 4.382 13.541 102 H ARG 15 H ARG 15 -7.351 3.248 9.266 103 HA ARG 15 HA ARG 15 -9.505 1.928 10.609 104 HB2 ARG 15 2HB ARG 15 -8.704 1.870 7.692 105 HB3 ARG 15 3HB ARG 15 -10.229 1.285 8.346 106 HG2 ARG 15 2HG ARG 15 -9.648 4.042 9.086 107 HG3 ARG 15 3HG ARG 15 -9.763 3.791 7.344 108 HD2 ARG 15 2HD ARG 15 -11.942 4.342 8.164 109 HD3 ARG 15 3HD ARG 15 -11.937 2.635 7.721 110 HE ARG 15 HE ARG 15 -11.313 2.842 10.440 111 HH11 ARG 15 1HH1 ARG 15 -13.989 3.397 8.283 112 HH12 ARG 15 2HH1 ARG 15 -15.195 3.083 9.487 113 HH21 ARG 15 1HH2 ARG 15 -12.891 2.426 12.034 114 HH22 ARG 15 2HH2 ARG 15 -14.569 2.532 11.620 115 H CYS 16 H CYS 16 -6.602 0.878 8.888 116 HA CYS 16 HA CYS 16 -7.115 -1.868 8.845 117 HB2 CYS 16 2HB CYS 16 -4.585 -0.246 8.837 118 HB3 CYS 16 3HB CYS 16 -4.522 -2.004 8.873 119 HG CYS 16 HG CYS 16 -4.435 -2.081 6.306 120 H SER 17 H SER 17 -6.189 0.217 11.435 121 HA SER 17 HA SER 17 -4.925 -1.538 13.177 122 HB2 SER 17 2HB SER 17 -5.290 0.974 13.452 123 HB3 SER 17 3HB SER 17 -6.889 0.572 14.078 124 HG SER 17 HG SER 17 -5.545 0.689 15.823 125 H ASN 18 H ASN 18 -8.246 -1.357 12.228 126 HA ASN 18 HA ASN 18 -9.091 -3.120 14.400 127 HB2 ASN 18 2HB ASN 18 -10.634 -1.665 12.247 128 HB3 ASN 18 3HB ASN 18 -11.378 -2.784 13.384 129 HD21 ASN 18 1HD2 ASN 18 -11.889 0.036 13.017 130 HD22 ASN 18 2HD2 ASN 18 -11.563 0.796 14.533 131 H VAL 19 H VAL 19 -7.293 -3.992 12.221 132 HA VAL 19 HA VAL 19 -8.993 -6.030 10.946 133 HB VAL 19 HB VAL 19 -6.252 -5.062 10.124 134 HG11 VAL 19 1HG1 VAL 19 -6.124 -7.089 9.172 135 HG12 VAL 19 2HG1 VAL 19 -7.851 -7.396 9.364 136 HG13 VAL 19 3HG1 VAL 19 -7.271 -6.436 8.003 137 HG21 VAL 19 1HG2 VAL 19 -7.270 -3.885 8.378 138 HG22 VAL 19 2HG2 VAL 19 -8.802 -4.736 8.575 139 HG23 VAL 19 3HG2 VAL 19 -8.293 -3.547 9.774 140 H ALA 20 H ALA 20 -8.545 -8.174 11.184 141 HA ALA 20 HA ALA 20 -6.599 -8.857 13.263 142 HB1 ALA 20 1HB ALA 20 -8.544 -10.822 12.139 143 HB2 ALA 20 2HB ALA 20 -7.877 -10.705 13.768 144 HB3 ALA 20 3HB ALA 20 -9.111 -9.562 13.236 145 H VAL 21 H VAL 21 -4.640 -9.081 12.304 146 HA VAL 21 HA VAL 21 -4.113 -10.046 9.747 147 HB VAL 21 HB VAL 21 -2.278 -10.369 12.121 148 HG11 VAL 21 1HG1 VAL 21 -1.521 -11.529 10.138 149 HG12 VAL 21 2HG1 VAL 21 -1.750 -10.073 9.166 150 HG13 VAL 21 3HG1 VAL 21 -0.511 -10.112 10.421 151 HG21 VAL 21 1HG2 VAL 21 -2.963 -8.101 12.169 152 HG22 VAL 21 2HG2 VAL 21 -1.383 -8.126 11.383 153 HG23 VAL 21 3HG2 VAL 21 -2.847 -7.955 10.415 154 H GLY 22 H GLY 22 -4.862 -11.746 12.675 155 HA2 GLY 22 2HA GLY 22 -3.953 -14.301 11.593 156 HA3 GLY 22 3HA GLY 22 -4.606 -14.025 13.202 157 H VAL 23 H VAL 23 -6.956 -13.537 13.319 158 HA VAL 23 HA VAL 23 -8.710 -14.069 11.183 159 HB VAL 23 HB VAL 23 -7.910 -16.351 11.304 160 HG11 VAL 23 1HG1 VAL 23 -8.827 -16.422 14.172 161 HG12 VAL 23 2HG1 VAL 23 -7.989 -17.690 13.275 162 HG13 VAL 23 3HG1 VAL 23 -7.148 -16.195 13.686 163 HG21 VAL 23 1HG2 VAL 23 -10.623 -16.226 12.607 164 HG22 VAL 23 2HG2 VAL 23 -10.334 -15.879 10.902 165 HG23 VAL 23 3HG2 VAL 23 -9.999 -17.487 11.544 166 H GLY 24 H GLY 24 -8.159 -14.221 14.663 167 HA2 GLY 24 2HA GLY 24 -10.758 -12.891 15.042 168 HA3 GLY 24 3HA GLY 24 -10.344 -14.288 16.024 169 H GLY 25 H GLY 25 -9.689 -13.762 17.992 170 HA2 GLY 25 2HA GLY 25 -8.809 -11.090 18.602 171 HA3 GLY 25 3HA GLY 25 -8.975 -12.420 19.738 172 H LYS 26 H LYS 26 -7.140 -13.016 20.652 173 HA LYS 26 HA LYS 26 -4.921 -13.337 21.045 174 HB2 LYS 26 2HB LYS 26 -5.528 -14.665 18.721 175 HB3 LYS 26 3HB LYS 26 -4.162 -13.672 18.228 176 HG2 LYS 26 2HG LYS 26 -3.154 -14.635 20.492 177 HG3 LYS 26 3HG LYS 26 -4.278 -15.944 20.121 178 HD2 LYS 26 2HD LYS 26 -3.076 -15.447 17.694 179 HD3 LYS 26 3HD LYS 26 -1.758 -15.222 18.845 180 HE2 LYS 26 2HE LYS 26 -1.651 -17.491 18.359 181 HE3 LYS 26 3HE LYS 26 -2.568 -17.451 19.863 182 HZ1 LYS 26 1HZ LYS 26 -3.849 -18.836 18.602 183 HZ2 LYS 26 2HZ LYS 26 -3.484 -18.060 17.144 184 HZ3 LYS 26 3HZ LYS 26 -4.578 -17.356 18.226 185 H SER 27 H SER 27 -2.603 -12.712 19.975 186 HA SER 27 HA SER 27 -2.734 -9.798 19.722 187 HB2 SER 27 2HB SER 27 -0.296 -9.887 20.247 188 HB3 SER 27 3HB SER 27 -1.301 -10.611 21.503 189 HG SER 27 HG SER 27 0.401 -11.990 21.086 190 H LYS 28 H LYS 28 -3.542 -10.378 17.443 191 HA LYS 28 HA LYS 28 -1.243 -10.174 15.648 192 HB2 LYS 28 2HB LYS 28 -3.456 -12.207 15.423 193 HB3 LYS 28 3HB LYS 28 -2.495 -11.716 14.034 194 HG2 LYS 28 2HG LYS 28 -0.481 -12.334 15.580 195 HG3 LYS 28 3HG LYS 28 -1.696 -13.287 16.435 196 HD2 LYS 28 2HD LYS 28 -2.271 -14.395 14.298 197 HD3 LYS 28 3HD LYS 28 -0.974 -13.494 13.511 198 HE2 LYS 28 2HE LYS 28 -0.089 -14.871 15.916 199 HE3 LYS 28 3HE LYS 28 -0.755 -15.973 14.711 200 HZ1 LYS 28 1HZ LYS 28 0.985 -15.668 13.370 201 HZ2 LYS 28 2HZ LYS 28 1.774 -15.034 14.725 202 HZ3 LYS 28 3HZ LYS 28 1.028 -13.995 13.618 203 H LYS 29 H LYS 29 -2.220 -7.929 16.010 204 HA LYS 29 HA LYS 29 -4.439 -7.478 14.128 205 HB2 LYS 29 2HB LYS 29 -4.262 -6.674 16.734 206 HB3 LYS 29 3HB LYS 29 -3.652 -5.256 15.889 207 HG2 LYS 29 2HG LYS 29 -5.983 -4.955 16.191 208 HG3 LYS 29 3HG LYS 29 -5.719 -5.311 14.482 209 HD2 LYS 29 2HD LYS 29 -7.509 -6.680 14.955 210 HD3 LYS 29 3HD LYS 29 -6.156 -7.780 15.236 211 HE2 LYS 29 2HE LYS 29 -6.755 -8.047 17.360 212 HE3 LYS 29 3HE LYS 29 -6.730 -6.305 17.629 213 HZ1 LYS 29 1HZ LYS 29 -8.926 -7.787 17.815 214 HZ2 LYS 29 2HZ LYS 29 -9.032 -7.336 16.189 215 HZ3 LYS 29 3HZ LYS 29 -8.948 -6.148 17.390 216 H PHE 30 H PHE 30 -4.321 -5.624 12.734 217 HA PHE 30 HA PHE 30 -1.874 -5.371 11.394 218 HB2 PHE 30 2HB PHE 30 -4.532 -4.522 10.995 219 HB3 PHE 30 3HB PHE 30 -3.541 -3.069 10.930 220 HD1 PHE 30 HD1 PHE 30 -4.027 -6.420 9.457 221 HD2 PHE 30 HD2 PHE 30 -2.167 -2.611 9.074 222 HE1 PHE 30 HE1 PHE 30 -3.382 -6.972 7.147 223 HE2 PHE 30 HE2 PHE 30 -1.519 -3.155 6.764 224 HZ PHE 30 HZ PHE 30 -2.128 -5.337 5.797 225 H GLY 31 H GLY 31 -1.363 -2.769 10.866 226 HA2 GLY 31 2HA GLY 31 -1.261 -0.830 12.737 227 HA3 GLY 31 3HA GLY 31 -0.018 -1.943 13.292 228 H GLU 32 H GLU 32 0.713 0.589 12.683 229 HA GLU 32 HA GLU 32 1.456 1.092 10.032 230 HB2 GLU 32 2HB GLU 32 1.456 2.784 11.846 231 HB3 GLU 32 3HB GLU 32 2.869 2.004 12.543 232 HG2 GLU 32 2HG GLU 32 4.277 2.825 10.970 233 HG3 GLU 32 3HG GLU 32 3.047 2.825 9.707 234 H GLY 33 H GLY 33 3.248 -0.468 12.671 235 HA2 GLY 33 2HA GLY 33 5.642 -0.868 11.218 236 HA3 GLY 33 3HA GLY 33 5.158 -1.742 12.664 237 H ASN 34 H ASN 34 2.776 -2.893 11.665 238 HA ASN 34 HA ASN 34 3.782 -5.226 10.480 239 HB2 ASN 34 2HB ASN 34 0.932 -4.209 10.558 240 HB3 ASN 34 3HB ASN 34 1.413 -5.858 10.171 241 HD21 ASN 34 1HD2 ASN 34 0.864 -7.107 11.801 242 HD22 ASN 34 2HD2 ASN 34 1.146 -6.778 13.474 243 H PHE 35 H PHE 35 1.790 -2.639 9.051 244 HA PHE 35 HA PHE 35 1.694 -3.614 6.454 245 HB2 PHE 35 2HB PHE 35 0.292 -1.771 7.109 246 HB3 PHE 35 3HB PHE 35 1.694 -0.764 7.461 247 HD1 PHE 35 HD1 PHE 35 1.726 0.998 5.989 248 HD2 PHE 35 HD2 PHE 35 0.810 -2.894 4.530 249 HE1 PHE 35 HE1 PHE 35 1.672 1.876 3.691 250 HE2 PHE 35 HE2 PHE 35 0.755 -2.022 2.230 251 HZ PHE 35 HZ PHE 35 1.187 0.365 1.808 252 H ARG 36 H ARG 36 4.094 -1.479 7.959 253 HA ARG 36 HA ARG 36 5.652 -1.045 5.658 254 HB2 ARG 36 2HB ARG 36 6.494 -1.037 8.562 255 HB3 ARG 36 3HB ARG 36 7.429 -0.369 7.231 256 HG2 ARG 36 2HG ARG 36 4.683 0.647 7.453 257 HG3 ARG 36 3HG ARG 36 5.753 1.058 8.795 258 HD2 ARG 36 2HD ARG 36 6.722 1.408 5.996 259 HD3 ARG 36 3HD ARG 36 5.605 2.593 6.673 260 HE ARG 36 HE ARG 36 8.373 2.235 7.351 261 HH11 ARG 36 1HH1 ARG 36 5.285 3.396 8.463 262 HH12 ARG 36 2HH1 ARG 36 5.968 4.502 9.610 263 HH21 ARG 36 1HH2 ARG 36 9.284 3.687 8.855 264 HH22 ARG 36 2HH2 ARG 36 8.242 4.667 9.831 265 H TRP 37 H TRP 37 5.804 -3.521 8.177 266 HA TRP 37 HA TRP 37 8.199 -4.740 7.477 267 HB2 TRP 37 2HB TRP 37 7.122 -5.388 9.507 268 HB3 TRP 37 3HB TRP 37 5.666 -5.890 8.650 269 HD1 TRP 37 HD1 TRP 37 9.142 -7.096 9.607 270 HE1 TRP 37 HE1 TRP 37 9.344 -9.599 9.043 271 HE3 TRP 37 HE3 TRP 37 4.788 -7.694 6.996 272 HZ2 TRP 37 HZ2 TRP 37 7.855 -11.566 7.672 273 HZ3 TRP 37 HZ3 TRP 37 4.251 -9.917 6.090 274 HH2 TRP 37 HH2 TRP 37 5.755 -11.813 6.422 275 H ALA 38 H ALA 38 4.927 -5.363 6.251 276 HA ALA 38 HA ALA 38 5.646 -7.476 4.520 277 HB1 ALA 38 1HB ALA 38 3.349 -7.126 5.222 278 HB2 ALA 38 2HB ALA 38 3.302 -5.584 4.369 279 HB3 ALA 38 3HB ALA 38 3.466 -7.088 3.462 280 H ILE 39 H ILE 39 5.424 -3.981 4.069 281 HA ILE 39 HA ILE 39 5.778 -3.932 1.281 282 HB ILE 39 HB ILE 39 6.583 -1.851 3.317 283 HG12 ILE 39 2HG1 ILE 39 4.159 -1.646 1.586 284 HG13 ILE 39 3HG1 ILE 39 4.095 -2.711 2.986 285 HG21 ILE 39 1HG2 ILE 39 6.112 -0.403 1.153 286 HG22 ILE 39 2HG2 ILE 39 7.699 -1.101 1.477 287 HG23 ILE 39 3HG2 ILE 39 6.601 -1.895 0.349 288 HD11 ILE 39 1HD1 ILE 39 5.202 -0.280 3.866 289 HD12 ILE 39 2HD1 ILE 39 3.806 0.117 2.864 290 HD13 ILE 39 3HD1 ILE 39 3.621 -0.962 4.246 291 H ARG 40 H ARG 40 8.170 -3.438 3.882 292 HA ARG 40 HA ARG 40 10.427 -3.175 2.296 293 HB2 ARG 40 2HB ARG 40 10.249 -2.830 4.796 294 HB3 ARG 40 3HB ARG 40 10.373 -4.576 4.969 295 HG2 ARG 40 2HG ARG 40 12.583 -4.602 4.515 296 HG3 ARG 40 3HG ARG 40 12.470 -3.280 3.352 297 HD2 ARG 40 2HD ARG 40 11.895 -2.514 6.121 298 HD3 ARG 40 3HD ARG 40 13.541 -3.085 5.852 299 HE ARG 40 HE ARG 40 12.775 -1.194 3.877 300 HH11 ARG 40 1HH1 ARG 40 13.791 -1.476 7.194 301 HH12 ARG 40 2HH1 ARG 40 14.485 0.111 7.253 302 HH21 ARG 40 1HH2 ARG 40 13.685 0.896 3.941 303 HH22 ARG 40 2HH2 ARG 40 14.424 1.459 5.403 304 H MET 41 H MET 41 8.927 -6.120 3.577 305 HA MET 41 HA MET 41 10.899 -7.878 2.509 306 HB2 MET 41 2HB MET 41 8.821 -8.120 4.308 307 HB3 MET 41 3HB MET 41 8.249 -9.045 2.926 308 HG2 MET 41 2HG MET 41 10.556 -10.175 2.995 309 HG3 MET 41 3HG MET 41 10.673 -9.496 4.617 310 HE1 MET 41 1HE MET 41 9.221 -13.147 3.129 311 HE2 MET 41 2HE MET 41 7.714 -12.281 2.822 312 HE3 MET 41 3HE MET 41 9.233 -11.667 2.169 313 H ALA 42 H ALA 42 7.985 -6.435 1.283 314 HA ALA 42 HA ALA 42 7.604 -8.234 -0.900 315 HB1 ALA 42 1HB ALA 42 5.645 -7.169 -0.620 316 HB2 ALA 42 2HB ALA 42 6.408 -5.719 0.037 317 HB3 ALA 42 3HB ALA 42 6.353 -5.973 -1.708 318 H ASN 43 H ASN 43 8.983 -4.959 -0.652 319 HA ASN 43 HA ASN 43 9.698 -4.704 -3.354 320 HB2 ASN 43 2HB ASN 43 10.532 -3.365 -0.816 321 HB3 ASN 43 3HB ASN 43 11.487 -3.083 -2.269 322 HD21 ASN 43 1HD2 ASN 43 10.748 -0.861 -1.872 323 HD22 ASN 43 2HD2 ASN 43 9.228 -0.374 -2.534 324 H VAL 44 H VAL 44 11.707 -5.610 -0.551 325 HA VAL 44 HA VAL 44 14.072 -6.118 -1.920 326 HB VAL 44 HB VAL 44 13.042 -7.527 0.546 327 HG11 VAL 44 1HG1 VAL 44 15.835 -7.284 -0.566 328 HG12 VAL 44 2HG1 VAL 44 15.426 -7.950 1.017 329 HG13 VAL 44 3HG1 VAL 44 14.871 -8.757 -0.451 330 HG21 VAL 44 1HG2 VAL 44 13.632 -4.840 0.191 331 HG22 VAL 44 2HG2 VAL 44 13.520 -5.699 1.728 332 HG23 VAL 44 3HG2 VAL 44 15.085 -5.511 0.935 333 H SER 45 H SER 45 11.377 -8.308 -1.197 334 HA SER 45 HA SER 45 12.566 -10.613 -2.331 335 HB2 SER 45 2HB SER 45 9.699 -9.889 -1.721 336 HB3 SER 45 3HB SER 45 10.162 -11.456 -2.382 337 HG SER 45 HG SER 45 11.702 -11.436 -0.487 338 H THR 46 H THR 46 10.886 -7.906 -3.676 339 HA THR 46 HA THR 46 10.506 -9.251 -6.243 340 HB THR 46 HB THR 46 9.405 -7.105 -6.923 341 HG1 THR 46 HG1 THR 46 8.822 -5.823 -4.906 342 HG21 THR 46 1HG2 THR 46 8.484 -8.963 -4.846 343 HG22 THR 46 2HG2 THR 46 7.698 -8.453 -6.341 344 HG23 THR 46 3HG2 THR 46 7.603 -7.437 -4.901 345 H GLY 47 H GLY 47 13.139 -8.280 -4.965 346 HA2 GLY 47 2HA GLY 47 15.099 -7.307 -5.663 347 HA3 GLY 47 3HA GLY 47 14.554 -7.743 -7.277 348 H ARG 48 H ARG 48 12.747 -5.528 -5.281 349 HA ARG 48 HA ARG 48 13.321 -3.406 -7.216 350 HB2 ARG 48 2HB ARG 48 11.042 -4.030 -5.403 351 HB3 ARG 48 3HB ARG 48 11.343 -2.341 -5.789 352 HG2 ARG 48 2HG ARG 48 11.113 -2.799 -8.149 353 HG3 ARG 48 3HG ARG 48 10.924 -4.523 -7.820 354 HD2 ARG 48 2HD ARG 48 8.800 -4.268 -6.979 355 HD3 ARG 48 3HD ARG 48 9.079 -2.595 -6.496 356 HE ARG 48 HE ARG 48 9.172 -2.785 -9.300 357 HH11 ARG 48 1HH1 ARG 48 6.911 -2.973 -6.660 358 HH12 ARG 48 2HH1 ARG 48 5.563 -2.431 -7.605 359 HH21 ARG 48 1HH2 ARG 48 7.405 -2.071 -10.554 360 HH22 ARG 48 2HH2 ARG 48 5.846 -1.919 -9.820 361 H GLU 49 H GLU 49 14.330 -1.552 -6.678 362 HA GLU 49 HA GLU 49 15.976 -1.377 -4.460 363 HB2 GLU 49 2HB GLU 49 14.967 0.576 -6.468 364 HB3 GLU 49 3HB GLU 49 15.750 1.217 -5.031 365 HG2 GLU 49 2HG GLU 49 17.559 -0.623 -5.703 366 HG3 GLU 49 3HG GLU 49 16.886 -0.293 -7.298 367 HA PRO 50 HA PRO 50 13.573 -0.010 -1.055 368 HB2 PRO 50 2HB PRO 50 15.209 1.807 0.127 369 HB3 PRO 50 3HB PRO 50 15.519 0.067 0.166 370 HG2 PRO 50 2HG PRO 50 16.706 2.163 -1.612 371 HG3 PRO 50 3HG PRO 50 17.505 0.812 -0.787 372 HD2 PRO 50 2HD PRO 50 16.843 0.732 -3.412 373 HD3 PRO 50 3HD PRO 50 16.845 -0.714 -2.384 374 H GLY 51 H GLY 51 14.530 2.232 -3.475 375 HA2 GLY 51 2HA GLY 51 13.024 4.449 -2.348 376 HA3 GLY 51 3HA GLY 51 13.909 4.453 -3.866 377 H ASP 52 H ASP 52 11.291 2.384 -2.628 378 HA ASP 52 HA ASP 52 9.611 3.303 -4.859 379 HB2 ASP 52 2HB ASP 52 10.659 0.620 -4.401 380 HB3 ASP 52 3HB ASP 52 8.902 0.643 -4.525 381 H ILE 53 H ILE 53 8.156 4.450 -3.698 382 HA ILE 53 HA ILE 53 6.582 2.954 -1.716 383 HB ILE 53 HB ILE 53 7.271 5.876 -1.412 384 HG12 ILE 53 2HG1 ILE 53 8.456 3.497 0.038 385 HG13 ILE 53 3HG1 ILE 53 9.289 4.472 -1.169 386 HG21 ILE 53 1HG2 ILE 53 6.400 5.533 0.873 387 HG22 ILE 53 2HG2 ILE 53 5.184 5.253 -0.372 388 HG23 ILE 53 3HG2 ILE 53 5.956 3.885 0.430 389 HD11 ILE 53 1HD1 ILE 53 8.460 6.353 0.630 390 HD12 ILE 53 2HD1 ILE 53 8.840 4.973 1.661 391 HD13 ILE 53 3HD1 ILE 53 10.064 5.621 0.570 392 HA PRO 54 HA PRO 54 3.891 4.806 -5.017 393 HB2 PRO 54 2HB PRO 54 2.411 2.562 -5.391 394 HB3 PRO 54 3HB PRO 54 3.932 2.862 -6.241 395 HG2 PRO 54 2HG PRO 54 3.413 1.175 -3.823 396 HG3 PRO 54 3HG PRO 54 4.423 0.823 -5.238 397 HD2 PRO 54 2HD PRO 54 5.457 1.676 -2.885 398 HD3 PRO 54 3HD PRO 54 6.184 2.086 -4.452 399 H GLU 55 H GLU 55 1.305 4.288 -5.067 400 HA GLU 55 HA GLU 55 0.001 3.784 -2.633 401 HB2 GLU 55 2HB GLU 55 1.282 6.091 -2.331 402 HB3 GLU 55 3HB GLU 55 -0.127 6.712 -3.180 403 HG2 GLU 55 2HG GLU 55 -0.295 5.026 -0.698 404 HG3 GLU 55 3HG GLU 55 -0.257 6.788 -0.685 405 H THR 56 H THR 56 -0.669 2.806 -4.938 406 HA THR 56 HA THR 56 -3.192 4.128 -5.575 407 HB THR 56 HB THR 56 -2.905 4.082 -7.936 408 HG1 THR 56 HG1 THR 56 -1.514 2.779 -8.860 409 HG21 THR 56 1HG2 THR 56 -0.374 5.158 -6.683 410 HG22 THR 56 2HG2 THR 56 -1.902 6.024 -6.852 411 HG23 THR 56 3HG2 THR 56 -0.981 5.572 -8.286 412 H LEU 57 H LEU 57 -4.820 2.738 -6.174 413 HA LEU 57 HA LEU 57 -4.781 0.128 -5.283 414 HB2 LEU 57 2HB LEU 57 -6.721 1.721 -6.085 415 HB3 LEU 57 3HB LEU 57 -6.529 0.826 -7.592 416 HG LEU 57 HG LEU 57 -8.339 -0.074 -6.211 417 HD11 LEU 57 1HD1 LEU 57 -6.791 -1.497 -7.682 418 HD12 LEU 57 2HD1 LEU 57 -7.817 -2.325 -6.511 419 HD13 LEU 57 3HD1 LEU 57 -6.107 -2.073 -6.163 420 HD21 LEU 57 1HD2 LEU 57 -6.405 0.250 -4.123 421 HD22 LEU 57 2HD2 LEU 57 -6.933 -1.432 -4.191 422 HD23 LEU 57 3HD2 LEU 57 -8.121 -0.141 -4.005 423 H ASP 58 H ASP 58 -3.950 1.398 -8.448 424 HA ASP 58 HA ASP 58 -3.832 -1.089 -9.800 425 HB2 ASP 58 2HB ASP 58 -3.255 1.683 -10.389 426 HB3 ASP 58 3HB ASP 58 -2.000 0.633 -11.042 427 H GLN 59 H GLN 59 -1.407 0.860 -8.113 428 HA GLN 59 HA GLN 59 0.813 -0.762 -8.750 429 HB2 GLN 59 2HB GLN 59 0.235 1.469 -6.937 430 HB3 GLN 59 3HB GLN 59 1.466 0.368 -6.335 431 HG2 GLN 59 2HG GLN 59 2.893 1.575 -7.536 432 HG3 GLN 59 3HG GLN 59 2.230 0.730 -8.934 433 HE21 GLN 59 1HE2 GLN 59 1.715 3.579 -6.903 434 HE22 GLN 59 2HE2 GLN 59 1.141 4.599 -8.174 435 H LEU 60 H LEU 60 -1.339 -0.694 -5.928 436 HA LEU 60 HA LEU 60 -0.069 -2.659 -4.413 437 HB2 LEU 60 2HB LEU 60 -2.838 -1.585 -4.564 438 HB3 LEU 60 3HB LEU 60 -2.565 -3.062 -3.642 439 HG LEU 60 HG LEU 60 -2.578 -0.968 -2.285 440 HD11 LEU 60 1HD1 LEU 60 -1.119 -3.204 -1.967 441 HD12 LEU 60 2HD1 LEU 60 -1.139 -1.876 -0.806 442 HD13 LEU 60 3HD1 LEU 60 0.167 -1.997 -1.985 443 HD21 LEU 60 1HD2 LEU 60 -1.514 0.538 -3.846 444 HD22 LEU 60 2HD2 LEU 60 -0.035 -0.423 -3.813 445 HD23 LEU 60 3HD2 LEU 60 -0.557 0.446 -2.369 446 H ARG 61 H ARG 61 -2.581 -2.963 -6.894 447 HA ARG 61 HA ARG 61 -3.000 -5.728 -6.644 448 HB2 ARG 61 2HB ARG 61 -4.556 -4.326 -7.865 449 HB3 ARG 61 3HB ARG 61 -3.314 -3.914 -9.040 450 HG2 ARG 61 2HG ARG 61 -3.632 -6.769 -8.857 451 HG3 ARG 61 3HG ARG 61 -5.174 -5.979 -9.196 452 HD2 ARG 61 2HD ARG 61 -2.636 -5.422 -10.722 453 HD3 ARG 61 3HD ARG 61 -3.831 -6.621 -11.218 454 HE ARG 61 HE ARG 61 -4.913 -3.987 -10.788 455 HH11 ARG 61 1HH1 ARG 61 -3.422 -6.149 -13.073 456 HH12 ARG 61 2HH1 ARG 61 -4.055 -5.329 -14.462 457 HH21 ARG 61 1HH2 ARG 61 -5.752 -2.898 -12.608 458 HH22 ARG 61 2HH2 ARG 61 -5.379 -3.479 -14.196 459 H LEU 62 H LEU 62 -0.743 -3.873 -8.642 460 HA LEU 62 HA LEU 62 0.300 -6.089 -10.062 461 HB2 LEU 62 2HB LEU 62 1.267 -3.303 -9.532 462 HB3 LEU 62 3HB LEU 62 2.290 -4.469 -10.369 463 HG LEU 62 HG LEU 62 -0.452 -3.640 -11.313 464 HD11 LEU 62 1HD1 LEU 62 1.088 -2.527 -13.121 465 HD12 LEU 62 2HD1 LEU 62 2.252 -2.489 -11.796 466 HD13 LEU 62 3HD1 LEU 62 0.693 -1.682 -11.624 467 HD21 LEU 62 1HD2 LEU 62 0.780 -4.551 -13.483 468 HD22 LEU 62 2HD2 LEU 62 -0.119 -5.610 -12.396 469 HD23 LEU 62 3HD2 LEU 62 1.639 -5.508 -12.277 470 H VAL 63 H VAL 63 1.430 -4.348 -7.178 471 HA VAL 63 HA VAL 63 3.809 -5.693 -6.737 472 HB VAL 63 HB VAL 63 1.872 -4.681 -4.650 473 HG11 VAL 63 1HG1 VAL 63 4.791 -5.409 -4.471 474 HG12 VAL 63 2HG1 VAL 63 3.913 -4.511 -3.232 475 HG13 VAL 63 3HG1 VAL 63 3.445 -6.166 -3.620 476 HG21 VAL 63 1HG2 VAL 63 4.237 -3.085 -5.162 477 HG22 VAL 63 2HG2 VAL 63 3.230 -3.258 -6.601 478 HG23 VAL 63 3HG2 VAL 63 2.540 -2.605 -5.114 479 H ILE 64 H ILE 64 0.525 -6.604 -5.790 480 HA ILE 64 HA ILE 64 1.209 -8.850 -4.238 481 HB ILE 64 HB ILE 64 -1.317 -8.341 -5.813 482 HG12 ILE 64 2HG1 ILE 64 -1.072 -8.018 -2.851 483 HG13 ILE 64 3HG1 ILE 64 -0.454 -6.743 -3.895 484 HG21 ILE 64 1HG2 ILE 64 -1.802 -9.911 -3.522 485 HG22 ILE 64 2HG2 ILE 64 -1.967 -10.375 -5.214 486 HG23 ILE 64 3HG2 ILE 64 -0.441 -10.642 -4.370 487 HD11 ILE 64 1HD1 ILE 64 -2.825 -6.497 -3.037 488 HD12 ILE 64 2HD1 ILE 64 -2.578 -6.291 -4.772 489 HD13 ILE 64 3HD1 ILE 64 -3.249 -7.799 -4.149 490 H CYS 65 H CYS 65 0.064 -8.680 -7.613 491 HA CYS 65 HA CYS 65 0.242 -11.357 -8.254 492 HB2 CYS 65 2HB CYS 65 0.655 -8.886 -9.930 493 HB3 CYS 65 3HB CYS 65 0.709 -10.500 -10.626 494 HG CYS 65 HG CYS 65 -1.780 -9.875 -11.289 495 H ASP 66 H ASP 66 2.789 -8.998 -7.933 496 HA ASP 66 HA ASP 66 4.817 -10.498 -9.247 497 HB2 ASP 66 2HB ASP 66 5.153 -8.366 -7.129 498 HB3 ASP 66 3HB ASP 66 6.372 -8.907 -8.279 499 H LEU 67 H LEU 67 4.360 -9.811 -5.774 500 HA LEU 67 HA LEU 67 6.241 -11.649 -4.845 501 HB2 LEU 67 2HB LEU 67 3.996 -10.132 -3.702 502 HB3 LEU 67 3HB LEU 67 4.442 -11.588 -2.816 503 HG LEU 67 HG LEU 67 6.870 -10.466 -3.101 504 HD11 LEU 67 1HD1 LEU 67 6.860 -8.152 -3.031 505 HD12 LEU 67 2HD1 LEU 67 5.150 -8.068 -2.607 506 HD13 LEU 67 3HD1 LEU 67 5.632 -8.508 -4.245 507 HD21 LEU 67 1HD2 LEU 67 5.280 -9.345 -0.883 508 HD22 LEU 67 2HD2 LEU 67 6.789 -10.256 -0.854 509 HD23 LEU 67 3HD2 LEU 67 5.253 -11.100 -1.052 510 H GLN 68 H GLN 68 2.726 -12.016 -5.245 511 HA GLN 68 HA GLN 68 2.477 -14.614 -4.290 512 HB2 GLN 68 2HB GLN 68 0.918 -12.904 -6.159 513 HB3 GLN 68 3HB GLN 68 0.558 -14.625 -6.146 514 HG2 GLN 68 2HG GLN 68 0.681 -13.143 -3.566 515 HG3 GLN 68 3HG GLN 68 -0.740 -12.980 -4.595 516 HE21 GLN 68 1HE2 GLN 68 -2.020 -13.988 -3.024 517 HE22 GLN 68 2HE2 GLN 68 -1.965 -15.695 -2.768 518 H GLU 69 H GLU 69 3.265 -13.470 -7.547 519 HA GLU 69 HA GLU 69 3.232 -15.923 -8.870 520 HB2 GLU 69 2HB GLU 69 4.487 -13.281 -9.336 521 HB3 GLU 69 3HB GLU 69 5.192 -14.636 -10.205 522 HG2 GLU 69 2HG GLU 69 2.244 -14.106 -10.248 523 HG3 GLU 69 3HG GLU 69 3.351 -13.297 -11.356 524 H ARG 70 H ARG 70 5.931 -14.273 -7.247 525 HA ARG 70 HA ARG 70 7.834 -16.305 -7.765 526 HB2 ARG 70 2HB ARG 70 7.710 -14.025 -5.807 527 HB3 ARG 70 3HB ARG 70 9.043 -15.173 -5.785 528 HG2 ARG 70 2HG ARG 70 9.092 -14.554 -8.372 529 HG3 ARG 70 3HG ARG 70 8.385 -13.063 -7.749 530 HD2 ARG 70 2HD ARG 70 10.726 -12.729 -7.767 531 HD3 ARG 70 3HD ARG 70 10.280 -13.005 -6.083 532 HE ARG 70 HE ARG 70 11.051 -15.420 -7.382 533 HH11 ARG 70 1HH1 ARG 70 12.294 -12.526 -5.899 534 HH12 ARG 70 2HH1 ARG 70 13.807 -13.246 -5.457 535 HH21 ARG 70 1HH2 ARG 70 13.039 -16.379 -6.804 536 HH22 ARG 70 2HH2 ARG 70 14.230 -15.437 -5.972 537 H ARG 71 H ARG 71 5.645 -15.672 -5.072 538 HA ARG 71 HA ARG 71 6.651 -17.588 -3.287 539 HB2 ARG 71 2HB ARG 71 5.072 -15.826 -2.624 540 HB3 ARG 71 3HB ARG 71 3.814 -16.587 -3.590 541 HG2 ARG 71 2HG ARG 71 4.418 -18.663 -2.056 542 HG3 ARG 71 3HG ARG 71 4.935 -17.376 -0.965 543 HD2 ARG 71 2HD ARG 71 2.612 -18.003 -0.553 544 HD3 ARG 71 3HD ARG 71 2.731 -16.341 -1.131 545 HE ARG 71 HE ARG 71 1.591 -16.947 -3.031 546 HH11 ARG 71 1HH1 ARG 71 2.585 -19.802 -1.305 547 HH12 ARG 71 2HH1 ARG 71 1.642 -20.879 -2.281 548 HH21 ARG 71 1HH2 ARG 71 0.344 -18.356 -4.323 549 HH22 ARG 71 2HH2 ARG 71 0.370 -20.055 -3.998 550 H GLU 72 H GLU 72 4.476 -17.852 -6.016 551 HA GLU 72 HA GLU 72 3.565 -20.491 -5.413 552 HB2 GLU 72 2HB GLU 72 2.842 -18.506 -7.212 553 HB3 GLU 72 3HB GLU 72 3.498 -19.775 -8.237 554 HG2 GLU 72 2HG GLU 72 1.642 -20.695 -6.158 555 HG3 GLU 72 3HG GLU 72 0.935 -19.652 -7.391 556 H LYS 73 H LYS 73 5.836 -19.226 -7.854 557 HA LYS 73 HA LYS 73 6.688 -21.621 -8.926 558 HB2 LYS 73 2HB LYS 73 7.745 -18.889 -8.757 559 HB3 LYS 73 3HB LYS 73 8.988 -20.119 -8.942 560 HG2 LYS 73 2HG LYS 73 6.588 -19.964 -10.741 561 HG3 LYS 73 3HG LYS 73 8.086 -19.088 -11.064 562 HD2 LYS 73 2HD LYS 73 9.289 -21.027 -11.447 563 HD3 LYS 73 3HD LYS 73 8.172 -22.025 -10.513 564 HE2 LYS 73 2HE LYS 73 7.644 -22.646 -12.665 565 HE3 LYS 73 3HE LYS 73 6.472 -21.361 -12.378 566 HZ1 LYS 73 1HZ LYS 73 7.309 -20.761 -14.403 567 HZ2 LYS 73 2HZ LYS 73 8.862 -21.347 -14.080 568 HZ3 LYS 73 3HZ LYS 73 8.348 -19.890 -13.391 569 H PHE 74 H PHE 74 7.647 -20.074 -5.929 570 HA PHE 74 HA PHE 74 9.724 -22.043 -5.429 571 HB2 PHE 74 2HB PHE 74 9.514 -19.441 -4.712 572 HB3 PHE 74 3HB PHE 74 8.892 -20.213 -3.258 573 HD1 PHE 74 HD1 PHE 74 10.327 -21.306 -1.740 574 HD2 PHE 74 HD2 PHE 74 11.807 -19.991 -5.508 575 HE1 PHE 74 HE1 PHE 74 12.628 -21.743 -0.984 576 HE2 PHE 74 HE2 PHE 74 14.110 -20.427 -4.759 577 HZ PHE 74 HZ PHE 74 14.523 -21.305 -2.495 578 H GLY 75 H GLY 75 6.410 -21.448 -4.603 579 HA2 GLY 75 2HA GLY 75 5.297 -23.621 -3.932 580 HA3 GLY 75 3HA GLY 75 6.503 -23.665 -2.655 581 H SER 76 H SER 76 6.377 -22.148 -0.944 582 HA SER 76 HA SER 76 4.422 -20.150 -0.717 583 HB2 SER 76 2HB SER 76 2.889 -21.283 0.907 584 HB3 SER 76 3HB SER 76 2.780 -21.926 -0.732 585 HG SER 76 HG SER 76 2.961 -23.709 0.475 586 H SER 77 H SER 77 4.039 -19.610 1.716 587 HA SER 77 HA SER 77 5.802 -20.495 3.696 588 HB2 SER 77 2HB SER 77 7.742 -19.614 2.932 589 HB3 SER 77 3HB SER 77 6.919 -18.523 1.818 590 HG SER 77 HG SER 77 8.041 -17.452 3.551 591 H LYS 78 H LYS 78 5.217 -19.674 5.636 592 HA LYS 78 HA LYS 78 2.854 -18.240 5.922 593 HB2 LYS 78 2HB LYS 78 5.109 -18.918 7.765 594 HB3 LYS 78 3HB LYS 78 3.875 -17.789 8.310 595 HG2 LYS 78 2HG LYS 78 2.164 -19.421 8.081 596 HG3 LYS 78 3HG LYS 78 3.250 -20.529 7.241 597 HD2 LYS 78 2HD LYS 78 4.477 -20.978 9.199 598 HD3 LYS 78 3HD LYS 78 3.787 -19.590 10.045 599 HE2 LYS 78 2HE LYS 78 2.226 -22.013 9.158 600 HE3 LYS 78 3HE LYS 78 2.858 -21.770 10.785 601 HZ1 LYS 78 1HZ LYS 78 1.538 -19.621 10.754 602 HZ2 LYS 78 2HZ LYS 78 0.654 -21.058 10.880 603 HZ3 LYS 78 3HZ LYS 78 0.740 -20.244 9.399 604 H GLU 79 H GLU 79 6.209 -17.108 6.057 605 HA GLU 79 HA GLU 79 5.682 -14.455 6.787 606 HB2 GLU 79 2HB GLU 79 7.945 -15.844 5.416 607 HB3 GLU 79 3HB GLU 79 7.915 -14.086 5.434 608 HG2 GLU 79 2HG GLU 79 8.761 -14.082 7.470 609 HG3 GLU 79 3HG GLU 79 7.371 -14.989 8.062 610 H ILE 80 H ILE 80 6.134 -15.886 3.561 611 HA ILE 80 HA ILE 80 5.717 -13.523 2.100 612 HB ILE 80 HB ILE 80 5.115 -16.342 1.201 613 HG12 ILE 80 2HG1 ILE 80 7.679 -14.760 0.924 614 HG13 ILE 80 3HG1 ILE 80 7.422 -16.048 2.097 615 HG21 ILE 80 1HG2 ILE 80 4.365 -15.303 -0.624 616 HG22 ILE 80 2HG2 ILE 80 5.010 -13.747 -0.102 617 HG23 ILE 80 3HG2 ILE 80 6.048 -14.893 -0.950 618 HD11 ILE 80 1HD1 ILE 80 8.438 -17.257 0.486 619 HD12 ILE 80 2HD1 ILE 80 6.788 -17.375 -0.123 620 HD13 ILE 80 3HD1 ILE 80 7.899 -16.192 -0.811 621 H ASP 81 H ASP 81 3.466 -16.132 2.977 622 HA ASP 81 HA ASP 81 1.192 -15.228 1.698 623 HB2 ASP 81 2HB ASP 81 1.432 -17.391 2.940 624 HB3 ASP 81 3HB ASP 81 1.250 -16.493 4.444 625 H MET 82 H MET 82 2.550 -14.202 4.788 626 HA MET 82 HA MET 82 0.380 -12.568 5.579 627 HB2 MET 82 2HB MET 82 2.997 -13.226 6.557 628 HB3 MET 82 3HB MET 82 2.767 -11.485 6.639 629 HG2 MET 82 2HG MET 82 0.830 -11.726 7.999 630 HG3 MET 82 3HG MET 82 0.806 -13.471 7.750 631 HE1 MET 82 1HE MET 82 1.295 -14.754 10.082 632 HE2 MET 82 2HE MET 82 1.702 -13.673 11.414 633 HE3 MET 82 3HE MET 82 0.362 -13.279 10.335 634 H ALA 83 H ALA 83 3.484 -11.774 4.021 635 HA ALA 83 HA ALA 83 3.178 -9.041 3.779 636 HB1 ALA 83 1HB ALA 83 4.481 -10.927 1.818 637 HB2 ALA 83 2HB ALA 83 4.718 -9.179 1.873 638 HB3 ALA 83 3HB ALA 83 5.248 -10.185 3.222 639 H ILE 84 H ILE 84 1.817 -11.604 1.789 640 HA ILE 84 HA ILE 84 0.840 -9.939 -0.283 641 HB ILE 84 HB ILE 84 -0.170 -12.643 0.605 642 HG12 ILE 84 2HG1 ILE 84 1.675 -12.038 -1.702 643 HG13 ILE 84 3HG1 ILE 84 2.280 -12.418 -0.094 644 HG21 ILE 84 1HG2 ILE 84 -1.752 -12.448 -0.937 645 HG22 ILE 84 2HG2 ILE 84 -1.213 -10.804 -1.280 646 HG23 ILE 84 3HG2 ILE 84 -0.527 -12.162 -2.172 647 HD11 ILE 84 1HD1 ILE 84 1.968 -14.262 -1.956 648 HD12 ILE 84 2HD1 ILE 84 1.703 -14.606 -0.246 649 HD13 ILE 84 3HD1 ILE 84 0.329 -14.287 -1.305 650 H VAL 85 H VAL 85 -0.940 -11.581 2.342 651 HA VAL 85 HA VAL 85 -3.381 -10.299 1.942 652 HB VAL 85 HB VAL 85 -3.909 -10.902 4.285 653 HG11 VAL 85 1HG1 VAL 85 -2.742 -13.413 3.642 654 HG12 VAL 85 2HG1 VAL 85 -4.413 -12.887 3.429 655 HG13 VAL 85 3HG1 VAL 85 -3.235 -12.631 2.140 656 HG21 VAL 85 1HG2 VAL 85 -1.040 -11.833 4.380 657 HG22 VAL 85 2HG2 VAL 85 -1.708 -10.459 5.261 658 HG23 VAL 85 3HG2 VAL 85 -2.256 -12.093 5.631 659 H THR 86 H THR 86 -0.500 -9.230 3.583 660 HA THR 86 HA THR 86 -1.626 -7.143 5.108 661 HB THR 86 HB THR 86 1.168 -7.396 3.982 662 HG1 THR 86 HG1 THR 86 0.481 -7.801 6.679 663 HG21 THR 86 1HG2 THR 86 -0.141 -5.305 5.567 664 HG22 THR 86 2HG2 THR 86 1.349 -5.247 4.624 665 HG23 THR 86 3HG2 THR 86 1.366 -5.903 6.261 666 H LEU 87 H LEU 87 0.120 -7.002 1.998 667 HA LEU 87 HA LEU 87 -0.291 -4.295 1.491 668 HB2 LEU 87 2HB LEU 87 -0.073 -6.542 -0.507 669 HB3 LEU 87 3HB LEU 87 0.158 -4.830 -0.853 670 HG LEU 87 HG LEU 87 1.894 -6.256 1.137 671 HD11 LEU 87 1HD1 LEU 87 3.515 -6.407 -0.848 672 HD12 LEU 87 2HD1 LEU 87 2.073 -6.288 -1.855 673 HD13 LEU 87 3HD1 LEU 87 2.245 -7.622 -0.716 674 HD21 LEU 87 1HD2 LEU 87 2.437 -3.903 -0.665 675 HD22 LEU 87 2HD2 LEU 87 3.435 -4.489 0.666 676 HD23 LEU 87 3HD2 LEU 87 1.861 -3.765 0.996 677 H LYS 88 H LYS 88 -2.354 -7.070 0.884 678 HA LYS 88 HA LYS 88 -4.238 -5.787 -0.780 679 HB2 LYS 88 2HB LYS 88 -4.099 -8.300 0.767 680 HB3 LYS 88 3HB LYS 88 -5.721 -7.698 0.453 681 HG2 LYS 88 2HG LYS 88 -5.639 -8.279 -1.697 682 HG3 LYS 88 3HG LYS 88 -4.005 -7.643 -1.900 683 HD2 LYS 88 2HD LYS 88 -3.019 -9.641 -1.394 684 HD3 LYS 88 3HD LYS 88 -4.336 -10.146 -0.331 685 HE2 LYS 88 2HE LYS 88 -5.666 -10.839 -2.117 686 HE3 LYS 88 3HE LYS 88 -4.747 -9.898 -3.290 687 HZ1 LYS 88 1HZ LYS 88 -3.057 -11.443 -3.337 688 HZ2 LYS 88 2HZ LYS 88 -4.417 -12.437 -3.175 689 HZ3 LYS 88 3HZ LYS 88 -3.450 -12.100 -1.828 690 H VAL 89 H VAL 89 -4.371 -6.520 2.709 691 HA VAL 89 HA VAL 89 -6.774 -5.306 3.314 692 HB VAL 89 HB VAL 89 -4.298 -5.364 5.046 693 HG11 VAL 89 1HG1 VAL 89 -7.201 -4.971 5.762 694 HG12 VAL 89 2HG1 VAL 89 -5.894 -5.210 6.922 695 HG13 VAL 89 3HG1 VAL 89 -5.912 -3.775 5.896 696 HG21 VAL 89 1HG2 VAL 89 -6.443 -7.269 5.593 697 HG22 VAL 89 2HG2 VAL 89 -5.673 -7.503 4.023 698 HG23 VAL 89 3HG2 VAL 89 -4.700 -7.521 5.493 699 H PHE 90 H PHE 90 -3.555 -3.838 3.122 700 HA PHE 90 HA PHE 90 -4.353 -1.258 3.969 701 HB2 PHE 90 2HB PHE 90 -2.027 -1.858 4.075 702 HB3 PHE 90 3HB PHE 90 -1.981 -2.194 2.347 703 HD1 PHE 90 HD1 PHE 90 -1.813 -0.419 0.738 704 HD2 PHE 90 HD2 PHE 90 -2.065 0.428 4.903 705 HE1 PHE 90 HE1 PHE 90 -1.109 1.898 0.306 706 HE2 PHE 90 HE2 PHE 90 -1.362 2.746 4.477 707 HZ PHE 90 HZ PHE 90 -0.883 3.485 2.177 708 H ALA 91 H ALA 91 -4.092 -2.785 0.799 709 HA ALA 91 HA ALA 91 -4.579 -0.463 -0.739 710 HB1 ALA 91 1HB ALA 91 -4.540 -1.833 -2.560 711 HB2 ALA 91 2HB ALA 91 -3.737 -2.884 -1.393 712 HB3 ALA 91 3HB ALA 91 -5.447 -3.115 -1.756 713 H VAL 92 H VAL 92 -6.744 -3.075 0.339 714 HA VAL 92 HA VAL 92 -9.089 -1.915 -0.772 715 HB VAL 92 HB VAL 92 -8.895 -3.917 1.482 716 HG11 VAL 92 1HG1 VAL 92 -11.167 -4.546 0.266 717 HG12 VAL 92 2HG1 VAL 92 -11.098 -3.336 1.548 718 HG13 VAL 92 3HG1 VAL 92 -11.130 -2.832 -0.142 719 HG21 VAL 92 1HG2 VAL 92 -9.037 -5.643 -0.170 720 HG22 VAL 92 2HG2 VAL 92 -9.230 -4.462 -1.464 721 HG23 VAL 92 3HG2 VAL 92 -7.695 -4.585 -0.605 722 H ALA 93 H ALA 93 -8.046 -2.241 2.626 723 HA ALA 93 HA ALA 93 -10.049 -0.563 3.679 724 HB1 ALA 93 1HB ALA 93 -8.752 -2.208 4.999 725 HB2 ALA 93 2HB ALA 93 -7.345 -1.150 4.878 726 HB3 ALA 93 3HB ALA 93 -8.789 -0.602 5.730 727 H GLY 94 H GLY 94 -7.232 0.158 1.917 728 HA2 GLY 94 2HA GLY 94 -7.019 2.865 3.015 729 HA3 GLY 94 3HA GLY 94 -5.900 2.116 1.887 730 H LEU 95 H LEU 95 -6.825 1.665 -0.326 731 HA LEU 95 HA LEU 95 -7.728 4.063 -1.470 732 HB2 LEU 95 2HB LEU 95 -7.588 1.243 -2.495 733 HB3 LEU 95 3HB LEU 95 -8.180 2.571 -3.491 734 HG LEU 95 HG LEU 95 -5.907 2.184 -4.077 735 HD11 LEU 95 1HD1 LEU 95 -5.284 4.340 -4.089 736 HD12 LEU 95 2HD1 LEU 95 -5.381 4.485 -2.334 737 HD13 LEU 95 3HD1 LEU 95 -6.843 4.611 -3.310 738 HD21 LEU 95 1HD2 LEU 95 -5.144 2.552 -1.186 739 HD22 LEU 95 2HD2 LEU 95 -4.096 2.096 -2.530 740 HD23 LEU 95 3HD2 LEU 95 -5.336 0.978 -1.960 741 H LEU 96 H LEU 96 -9.450 1.037 -0.767 742 HA LEU 96 HA LEU 96 -11.972 2.156 -1.638 743 HB2 LEU 96 2HB LEU 96 -10.920 -0.427 -1.278 744 HB3 LEU 96 3HB LEU 96 -12.252 -0.272 -0.135 745 HG LEU 96 HG LEU 96 -13.707 0.409 -2.060 746 HD11 LEU 96 1HD1 LEU 96 -12.375 1.133 -3.777 747 HD12 LEU 96 2HD1 LEU 96 -12.691 -0.524 -4.292 748 HD13 LEU 96 3HD1 LEU 96 -11.161 -0.120 -3.512 749 HD21 LEU 96 1HD2 LEU 96 -12.825 -2.139 -1.246 750 HD22 LEU 96 2HD2 LEU 96 -12.961 -2.186 -3.003 751 HD23 LEU 96 3HD2 LEU 96 -14.350 -1.715 -2.023 752 H ASN 97 H ASN 97 -10.162 2.592 1.038 753 HA ASN 97 HA ASN 97 -10.548 3.237 3.189 754 HB2 ASN 97 2HB ASN 97 -12.986 4.241 1.741 755 HB3 ASN 97 3HB ASN 97 -12.773 4.525 3.466 756 HD21 ASN 97 1HD2 ASN 97 -11.747 5.339 0.282 757 HD22 ASN 97 2HD2 ASN 97 -10.699 6.642 0.719 758 H MET 98 H MET 98 -11.356 0.520 2.422 759 HA MET 98 HA MET 98 -13.752 -0.048 3.931 760 HB2 MET 98 2HB MET 98 -12.271 -1.362 1.930 761 HB3 MET 98 3HB MET 98 -12.168 -2.387 3.357 762 HG2 MET 98 2HG MET 98 -14.491 -2.663 3.463 763 HG3 MET 98 3HG MET 98 -14.785 -1.313 2.371 764 HE1 MET 98 1HE MET 98 -15.902 -4.689 2.009 765 HE2 MET 98 2HE MET 98 -16.502 -3.086 1.586 766 HE3 MET 98 3HE MET 98 -16.152 -4.259 0.317 767 H THR 99 H THR 99 -13.257 -2.307 5.304 768 HA THR 99 HA THR 99 -10.957 -2.021 7.020 769 HB THR 99 HB THR 99 -13.613 -1.819 8.408 770 HG1 THR 99 HG1 THR 99 -12.002 0.450 7.897 771 HG21 THR 99 1HG2 THR 99 -12.010 -0.625 10.063 772 HG22 THR 99 2HG2 THR 99 -10.734 -1.402 9.126 773 HG23 THR 99 3HG2 THR 99 -11.954 -2.383 9.936 774 H VAL 100 H VAL 100 -10.931 -4.170 5.860 775 HA VAL 100 HA VAL 100 -12.699 -6.242 6.294 776 HB VAL 100 HB VAL 100 -10.881 -7.780 5.854 777 HG11 VAL 100 1HG1 VAL 100 -9.905 -5.728 4.062 778 HG12 VAL 100 2HG1 VAL 100 -10.840 -7.182 3.709 779 HG13 VAL 100 3HG1 VAL 100 -11.663 -5.700 4.195 780 HG21 VAL 100 1HG2 VAL 100 -8.552 -6.640 5.537 781 HG22 VAL 100 2HG2 VAL 100 -9.192 -5.462 6.682 782 HG23 VAL 100 3HG2 VAL 100 -9.071 -7.161 7.139 783 H SER 101 H SER 101 -12.842 -7.922 7.801 784 HA SER 101 HA SER 101 -12.194 -7.149 10.500 785 HB2 SER 101 2HB SER 101 -13.647 -9.522 9.326 786 HB3 SER 101 3HB SER 101 -13.351 -9.346 11.056 787 HG SER 101 HG SER 101 -15.364 -8.384 9.774 788 H THR 102 H THR 102 -10.956 -9.340 8.104 789 HA THR 102 HA THR 102 -8.725 -9.983 9.875 790 HB THR 102 HB THR 102 -8.811 -12.331 9.539 791 HG1 THR 102 HG1 THR 102 -11.172 -12.233 8.019 792 HG21 THR 102 1HG2 THR 102 -11.650 -11.440 10.058 793 HG22 THR 102 2HG2 THR 102 -10.359 -11.452 11.260 794 HG23 THR 102 3HG2 THR 102 -10.919 -12.967 10.552 795 H ALA 103 H ALA 103 -6.795 -10.268 8.830 796 HA ALA 103 HA ALA 103 -6.369 -9.106 6.361 797 HB1 ALA 103 1HB ALA 103 -4.447 -9.291 7.601 798 HB2 ALA 103 2HB ALA 103 -4.771 -10.964 8.058 799 HB3 ALA 103 3HB ALA 103 -4.208 -10.589 6.429 800 H ALA 104 H ALA 104 -7.142 -12.440 7.135 801 HA ALA 104 HA ALA 104 -6.544 -13.565 4.613 802 HB1 ALA 104 1HB ALA 104 -8.743 -14.863 6.001 803 HB2 ALA 104 2HB ALA 104 -7.143 -15.480 5.588 804 HB3 ALA 104 3HB ALA 104 -7.370 -14.533 7.059 805 H ALA 105 H ALA 105 -9.470 -12.109 5.954 806 HA ALA 105 HA ALA 105 -11.199 -12.775 3.823 807 HB1 ALA 105 1HB ALA 105 -12.589 -10.875 4.710 808 HB2 ALA 105 2HB ALA 105 -12.167 -12.119 5.888 809 HB3 ALA 105 3HB ALA 105 -11.303 -10.582 5.882 810 H ALA 106 H ALA 106 -9.147 -9.956 4.437 811 HA ALA 106 HA ALA 106 -10.011 -8.364 2.302 812 HB1 ALA 106 1HB ALA 106 -8.544 -6.938 3.162 813 HB2 ALA 106 2HB ALA 106 -8.069 -8.193 4.307 814 HB3 ALA 106 3HB ALA 106 -7.198 -8.014 2.783 815 H GLU 107 H GLU 107 -7.247 -10.607 2.484 816 HA GLU 107 HA GLU 107 -6.348 -10.288 -0.137 817 HB2 GLU 107 2HB GLU 107 -4.959 -11.422 1.444 818 HB3 GLU 107 3HB GLU 107 -6.189 -12.643 1.742 819 HG2 GLU 107 2HG GLU 107 -5.500 -12.573 -1.046 820 HG3 GLU 107 3HG GLU 107 -4.059 -12.772 -0.053 821 H ASN 108 H ASN 108 -8.800 -12.453 1.194 822 HA ASN 108 HA ASN 108 -9.250 -13.970 -1.133 823 HB2 ASN 108 2HB ASN 108 -10.219 -13.980 1.459 824 HB3 ASN 108 3HB ASN 108 -11.634 -13.545 0.506 825 HD21 ASN 108 1HD2 ASN 108 -11.279 -14.942 -1.782 826 HD22 ASN 108 2HD2 ASN 108 -11.300 -16.639 -1.457 827 H MET 109 H MET 109 -10.635 -10.936 0.018 828 HA MET 109 HA MET 109 -12.672 -10.703 -1.910 829 HB2 MET 109 2HB MET 109 -11.218 -8.752 -0.159 830 HB3 MET 109 3HB MET 109 -12.329 -8.166 -1.389 831 HG2 MET 109 2HG MET 109 -13.082 -10.154 0.736 832 HG3 MET 109 3HG MET 109 -13.309 -8.412 0.886 833 HE1 MET 109 1HE MET 109 -15.879 -8.205 1.116 834 HE2 MET 109 2HE MET 109 -15.181 -7.097 -0.063 835 HE3 MET 109 3HE MET 109 -16.700 -7.920 -0.419 836 H TYR 110 H TYR 110 -9.299 -9.642 -1.894 837 HA TYR 110 HA TYR 110 -9.353 -8.159 -4.274 838 HB2 TYR 110 2HB TYR 110 -7.400 -8.999 -2.393 839 HB3 TYR 110 3HB TYR 110 -6.815 -9.451 -3.991 840 HD1 TYR 110 HD1 TYR 110 -8.614 -6.505 -2.539 841 HD2 TYR 110 HD2 TYR 110 -5.365 -7.915 -4.896 842 HE1 TYR 110 HE1 TYR 110 -7.895 -4.184 -2.925 843 HE2 TYR 110 HE2 TYR 110 -4.636 -5.598 -5.287 844 HH TYR 110 HH TYR 110 -4.873 -3.439 -4.522 845 H SER 111 H SER 111 -8.411 -11.547 -3.715 846 HA SER 111 HA SER 111 -7.957 -12.142 -6.444 847 HB2 SER 111 2HB SER 111 -6.955 -13.790 -5.255 848 HB3 SER 111 3HB SER 111 -8.086 -13.640 -3.910 849 HG SER 111 HG SER 111 -9.382 -15.083 -4.812 850 H GLN 112 H GLN 112 -10.758 -12.558 -4.322 851 HA GLN 112 HA GLN 112 -12.385 -13.993 -6.088 852 HB2 GLN 112 2HB GLN 112 -12.918 -12.209 -3.745 853 HB3 GLN 112 3HB GLN 112 -14.265 -12.776 -4.723 854 HG2 GLN 112 2HG GLN 112 -12.250 -14.672 -3.574 855 HG3 GLN 112 3HG GLN 112 -13.642 -14.117 -2.646 856 HE21 GLN 112 1HE2 GLN 112 -15.262 -15.481 -2.675 857 HE22 GLN 112 2HE2 GLN 112 -15.705 -16.522 -3.980 858 H MET 113 H MET 113 -11.827 -10.533 -5.742 859 HA MET 113 HA MET 113 -13.877 -9.762 -7.578 860 HB2 MET 113 2HB MET 113 -11.521 -8.308 -6.385 861 HB3 MET 113 3HB MET 113 -12.609 -7.547 -7.538 862 HG2 MET 113 2HG MET 113 -14.416 -7.622 -6.067 863 HG3 MET 113 3HG MET 113 -13.643 -8.825 -5.038 864 HE1 MET 113 1HE MET 113 -14.733 -5.599 -5.590 865 HE2 MET 113 2HE MET 113 -14.038 -4.596 -4.317 866 HE3 MET 113 3HE MET 113 -13.255 -4.686 -5.896 867 H GLY 114 H GLY 114 -10.637 -10.882 -7.885 868 HA2 GLY 114 2HA GLY 114 -9.886 -11.700 -10.021 869 HA3 GLY 114 3HA GLY 114 -10.796 -10.408 -10.789 870 H LEU 115 H LEU 115 -8.952 -9.648 -7.973 871 HA LEU 115 HA LEU 115 -7.180 -8.004 -9.607 872 HB2 LEU 115 2HB LEU 115 -7.173 -8.047 -6.617 873 HB3 LEU 115 3HB LEU 115 -6.769 -6.727 -7.712 874 HG LEU 115 HG LEU 115 -9.552 -7.769 -7.186 875 HD11 LEU 115 1HD1 LEU 115 -9.535 -6.498 -5.371 876 HD12 LEU 115 2HD1 LEU 115 -9.269 -5.090 -6.399 877 HD13 LEU 115 3HD1 LEU 115 -7.893 -5.955 -5.716 878 HD21 LEU 115 1HD2 LEU 115 -10.286 -5.826 -8.448 879 HD22 LEU 115 2HD2 LEU 115 -9.251 -6.854 -9.442 880 HD23 LEU 115 3HD2 LEU 115 -8.610 -5.365 -8.746 881 H ASP 116 H ASP 116 -7.048 -10.604 -7.223 882 HA ASP 116 HA ASP 116 -4.149 -10.810 -7.597 883 HB2 ASP 116 2HB ASP 116 -4.634 -10.850 -5.304 884 HB3 ASP 116 3HB ASP 116 -6.053 -11.870 -5.527 885 H THR 117 H THR 117 -3.178 -12.561 -8.504 886 HA THR 117 HA THR 117 -4.853 -14.290 -10.107 887 HB THR 117 HB THR 117 -2.286 -15.218 -10.452 888 HG1 THR 117 HG1 THR 117 -1.223 -13.010 -10.740 889 HG21 THR 117 1HG2 THR 117 -3.208 -12.833 -12.000 890 HG22 THR 117 2HG2 THR 117 -4.146 -14.325 -12.066 891 HG23 THR 117 3HG2 THR 117 -2.458 -14.321 -12.574 892 H ARG 118 H ARG 118 -5.089 -16.485 -9.907 893 HA ARG 118 HA ARG 118 -3.970 -17.700 -7.467 894 HB2 ARG 118 2HB ARG 118 -6.078 -19.186 -7.619 895 HB3 ARG 118 3HB ARG 118 -6.250 -17.549 -7.000 896 HG2 ARG 118 2HG ARG 118 -7.548 -16.902 -8.708 897 HG3 ARG 118 3HG ARG 118 -6.610 -17.806 -9.898 898 HD2 ARG 118 2HD ARG 118 -7.673 -19.897 -8.910 899 HD3 ARG 118 3HD ARG 118 -8.786 -18.808 -8.082 900 HE ARG 118 HE ARG 118 -9.893 -18.521 -10.056 901 HH11 ARG 118 1HH1 ARG 118 -6.711 -19.763 -10.730 902 HH12 ARG 118 2HH1 ARG 118 -7.008 -19.968 -12.424 903 HH21 ARG 118 1HH2 ARG 118 -10.295 -18.786 -12.285 904 HH22 ARG 118 2HH2 ARG 118 -9.046 -19.411 -13.308 905 HA PRO 119 HA PRO 119 -2.258 -20.926 -9.899 906 HB2 PRO 119 2HB PRO 119 -2.568 -23.077 -8.272 907 HB3 PRO 119 3HB PRO 119 -1.397 -21.793 -7.952 908 HG2 PRO 119 2HG PRO 119 -4.120 -22.208 -6.780 909 HG3 PRO 119 3HG PRO 119 -2.616 -21.734 -5.972 910 HD2 PRO 119 2HD PRO 119 -4.538 -19.948 -6.637 911 HD3 PRO 119 3HD PRO 119 -2.812 -19.532 -6.624 912 H21 MYR 201 1H2 MYR 1 6.944 8.959 3.095 913 H22 MYR 201 2H2 MYR 1 7.298 9.950 1.693 914 H31 MYR 201 1H3 MYR 1 5.211 11.440 2.526 915 H32 MYR 201 2H3 MYR 1 4.818 10.046 3.533 916 H41 MYR 201 1H4 MYR 1 5.429 9.283 0.695 917 H42 MYR 201 2H4 MYR 1 4.076 10.410 0.816 918 H51 MYR 201 1H5 MYR 1 2.757 8.597 1.306 919 H52 MYR 201 2H5 MYR 1 3.508 8.591 2.903 920 H61 MYR 201 1H6 MYR 1 5.356 7.061 1.990 921 H62 MYR 201 2H6 MYR 1 4.518 7.017 0.436 922 H71 MYR 201 1H7 MYR 1 2.741 6.357 2.779 923 H72 MYR 201 2H7 MYR 1 4.092 5.237 2.581 924 H81 MYR 201 1H8 MYR 1 2.868 5.822 -0.055 925 H82 MYR 201 2H8 MYR 1 1.626 5.299 1.085 926 H91 MYR 201 1H9 MYR 1 3.946 3.563 1.462 927 H92 MYR 201 2H9 MYR 1 3.657 3.680 -0.274 928 H101 MYR 201 1H10 MYR 1 1.090 3.366 1.157 929 H102 MYR 201 2H10 MYR 1 2.188 2.088 1.654 930 H111 MYR 201 1H11 MYR 1 1.265 2.758 -1.220 931 H112 MYR 201 2H11 MYR 1 0.827 1.356 -0.259 932 H121 MYR 201 1H12 MYR 1 3.698 1.930 -1.239 933 H122 MYR 201 2H12 MYR 1 2.566 0.843 -2.042 934 H131 MYR 201 1H13 MYR 1 3.426 0.479 0.905 935 H132 MYR 201 2H13 MYR 1 4.274 -0.282 -0.443 936 H141 MYR 201 1H14 MYR 1 2.453 -1.768 -0.937 937 H142 MYR 201 2H14 MYR 1 2.307 -1.613 0.829 938 H143 MYR 201 3H14 MYR 1 1.229 -0.679 -0.233 Start of MODEL 13 1 H GLY 2 H GLY 2 6.739 14.114 5.048 2 HA2 GLY 2 2HA GLY 2 8.901 13.823 7.005 3 HA3 GLY 2 3HA GLY 2 8.076 15.319 6.591 4 H ASN 3 H ASN 3 5.450 14.691 6.931 5 HA ASN 3 HA ASN 3 5.277 13.804 9.733 6 HB2 ASN 3 2HB ASN 3 5.125 16.372 9.229 7 HB3 ASN 3 3HB ASN 3 3.493 15.979 8.695 8 HD21 ASN 3 1HD2 ASN 3 4.750 17.435 11.069 9 HD22 ASN 3 2HD2 ASN 3 3.908 16.788 12.430 10 H GLY 4 H GLY 4 4.730 12.420 7.177 11 HA2 GLY 4 2HA GLY 4 3.150 11.013 6.288 12 HA3 GLY 4 3HA GLY 4 2.425 11.029 7.889 13 H GLN 5 H GLN 5 2.792 13.866 5.853 14 HA GLN 5 HA GLN 5 0.174 14.742 6.174 15 HB2 GLN 5 2HB GLN 5 2.188 15.328 4.004 16 HB3 GLN 5 3HB GLN 5 0.646 16.162 4.135 17 HG2 GLN 5 2HG GLN 5 2.557 16.085 6.435 18 HG3 GLN 5 3HG GLN 5 2.735 17.263 5.135 19 HE21 GLN 5 1HE2 GLN 5 2.162 17.728 7.931 20 HE22 GLN 5 2HE2 GLN 5 0.649 18.559 7.992 21 H GLY 6 H GLY 6 -1.581 13.613 5.630 22 HA2 GLY 6 2HA GLY 6 -2.573 13.275 3.136 23 HA3 GLY 6 3HA GLY 6 -1.588 11.836 3.351 24 H ARG 7 H ARG 7 -4.601 13.258 3.893 25 HA ARG 7 HA ARG 7 -5.527 12.041 6.204 26 HB2 ARG 7 2HB ARG 7 -7.787 12.223 5.183 27 HB3 ARG 7 3HB ARG 7 -6.849 13.706 5.069 28 HG2 ARG 7 2HG ARG 7 -6.235 13.013 2.732 29 HG3 ARG 7 3HG ARG 7 -7.428 11.723 2.888 30 HD2 ARG 7 2HD ARG 7 -7.944 14.686 3.113 31 HD3 ARG 7 3HD ARG 7 -8.401 13.643 1.767 32 HE ARG 7 HE ARG 7 -9.520 12.637 4.141 33 HH11 ARG 7 1HH1 ARG 7 -9.832 15.319 1.944 34 HH12 ARG 7 2HH1 ARG 7 -11.515 15.563 2.274 35 HH21 ARG 7 1HH2 ARG 7 -11.735 12.948 4.584 36 HH22 ARG 7 2HH2 ARG 7 -12.596 14.214 3.777 37 H ASP 8 H ASP 8 -5.399 10.769 2.903 38 HA ASP 8 HA ASP 8 -6.769 8.372 3.342 39 HB2 ASP 8 2HB ASP 8 -5.278 9.561 1.232 40 HB3 ASP 8 3HB ASP 8 -4.666 7.925 1.460 41 H TRP 9 H TRP 9 -3.346 9.172 3.726 42 HA TRP 9 HA TRP 9 -2.434 6.573 4.293 43 HB2 TRP 9 2HB TRP 9 -0.841 8.275 3.726 44 HB3 TRP 9 3HB TRP 9 -1.355 9.285 5.075 45 HD1 TRP 9 HD1 TRP 9 -0.187 8.905 7.369 46 HE1 TRP 9 HE1 TRP 9 1.671 7.329 8.200 47 HE3 TRP 9 HE3 TRP 9 0.096 5.786 3.329 48 HZ2 TRP 9 HZ2 TRP 9 3.072 5.063 7.264 49 HZ3 TRP 9 HZ3 TRP 9 1.721 3.939 3.376 50 HH2 TRP 9 HH2 TRP 9 3.178 3.587 5.304 51 H LYS 10 H LYS 10 -3.216 9.246 6.523 52 HA LYS 10 HA LYS 10 -2.865 7.817 8.898 53 HB2 LYS 10 2HB LYS 10 -3.021 10.210 8.957 54 HB3 LYS 10 3HB LYS 10 -4.630 10.179 8.250 55 HG2 LYS 10 2HG LYS 10 -5.468 9.059 10.279 56 HG3 LYS 10 3HG LYS 10 -3.858 9.191 10.988 57 HD2 LYS 10 2HD LYS 10 -4.076 11.706 10.529 58 HD3 LYS 10 3HD LYS 10 -5.796 11.380 10.302 59 HE2 LYS 10 2HE LYS 10 -5.936 11.717 12.515 60 HE3 LYS 10 3HE LYS 10 -5.298 10.078 12.640 61 HZ1 LYS 10 1HZ LYS 10 -3.768 12.615 12.799 62 HZ2 LYS 10 2HZ LYS 10 -3.042 11.092 12.689 63 HZ3 LYS 10 3HZ LYS 10 -4.000 11.476 14.029 64 H MET 11 H MET 11 -5.580 7.987 6.697 65 HA MET 11 HA MET 11 -7.406 6.668 8.485 66 HB2 MET 11 2HB MET 11 -7.493 7.770 5.748 67 HB3 MET 11 3HB MET 11 -8.553 6.398 6.039 68 HG2 MET 11 2HG MET 11 -9.573 7.576 7.916 69 HG3 MET 11 3HG MET 11 -8.505 8.950 7.633 70 HE1 MET 11 1HE MET 11 -12.151 7.430 6.151 71 HE2 MET 11 2HE MET 11 -11.388 7.301 4.566 72 HE3 MET 11 3HE MET 11 -10.680 6.475 5.956 73 H ALA 12 H ALA 12 -5.093 5.718 6.087 74 HA ALA 12 HA ALA 12 -6.135 3.097 5.626 75 HB1 ALA 12 1HB ALA 12 -3.266 3.842 5.201 76 HB2 ALA 12 2HB ALA 12 -4.283 2.740 4.271 77 HB3 ALA 12 3HB ALA 12 -4.532 4.481 4.152 78 H ILE 13 H ILE 13 -3.434 4.361 7.570 79 HA ILE 13 HA ILE 13 -2.749 1.828 8.672 80 HB ILE 13 HB ILE 13 -2.096 4.597 9.688 81 HG12 ILE 13 2HG1 ILE 13 -1.282 4.130 7.395 82 HG13 ILE 13 3HG1 ILE 13 0.035 4.307 8.548 83 HG21 ILE 13 1HG2 ILE 13 -0.084 3.077 10.580 84 HG22 ILE 13 2HG2 ILE 13 -1.544 3.384 11.519 85 HG23 ILE 13 3HG2 ILE 13 -1.380 1.881 10.611 86 HD11 ILE 13 1HD1 ILE 13 -0.510 2.154 6.795 87 HD12 ILE 13 2HD1 ILE 13 0.829 2.346 7.927 88 HD13 ILE 13 3HD1 ILE 13 -0.665 1.568 8.450 89 H LYS 14 H LYS 14 -4.582 4.609 9.904 90 HA LYS 14 HA LYS 14 -5.108 3.628 12.465 91 HB2 LYS 14 2HB LYS 14 -5.530 5.951 11.800 92 HB3 LYS 14 3HB LYS 14 -6.829 5.420 10.741 93 HG2 LYS 14 2HG LYS 14 -7.104 4.537 13.518 94 HG3 LYS 14 3HG LYS 14 -7.151 6.287 13.294 95 HD2 LYS 14 2HD LYS 14 -8.732 4.820 11.326 96 HD3 LYS 14 3HD LYS 14 -9.276 4.576 12.987 97 HE2 LYS 14 2HE LYS 14 -10.435 6.461 12.008 98 HE3 LYS 14 3HE LYS 14 -9.363 7.017 13.293 99 HZ1 LYS 14 1HZ LYS 14 -9.438 7.890 10.665 100 HZ2 LYS 14 2HZ LYS 14 -7.991 7.027 10.825 101 HZ3 LYS 14 3HZ LYS 14 -8.323 8.324 11.861 102 H ARG 15 H ARG 15 -7.052 3.356 9.497 103 HA ARG 15 HA ARG 15 -9.106 1.804 10.675 104 HB2 ARG 15 2HB ARG 15 -9.262 3.120 8.525 105 HB3 ARG 15 3HB ARG 15 -8.333 1.840 7.758 106 HG2 ARG 15 2HG ARG 15 -10.055 0.270 8.043 107 HG3 ARG 15 3HG ARG 15 -10.903 1.293 9.204 108 HD2 ARG 15 2HD ARG 15 -10.870 2.945 7.091 109 HD3 ARG 15 3HD ARG 15 -10.861 1.394 6.250 110 HE ARG 15 HE ARG 15 -13.046 1.126 6.841 111 HH11 ARG 15 1HH1 ARG 15 -11.603 3.479 8.961 112 HH12 ARG 15 2HH1 ARG 15 -13.094 3.873 9.751 113 HH21 ARG 15 1HH2 ARG 15 -15.016 1.636 7.873 114 HH22 ARG 15 2HH2 ARG 15 -15.034 2.824 9.133 115 H CYS 16 H CYS 16 -6.150 0.980 8.931 116 HA CYS 16 HA CYS 16 -6.611 -1.778 8.675 117 HB2 CYS 16 2HB CYS 16 -4.856 -0.628 7.423 118 HB3 CYS 16 3HB CYS 16 -3.992 -0.284 8.917 119 HG CYS 16 HG CYS 16 -2.454 -2.256 8.063 120 H SER 17 H SER 17 -5.594 0.159 11.365 121 HA SER 17 HA SER 17 -4.285 -1.699 12.953 122 HB2 SER 17 2HB SER 17 -4.744 0.828 13.352 123 HB3 SER 17 3HB SER 17 -6.219 0.273 14.143 124 HG SER 17 HG SER 17 -5.044 -0.184 15.810 125 H ASN 18 H ASN 18 -7.697 -1.320 12.295 126 HA ASN 18 HA ASN 18 -8.577 -3.069 14.384 127 HB2 ASN 18 2HB ASN 18 -9.952 -1.968 11.929 128 HB3 ASN 18 3HB ASN 18 -10.758 -3.004 13.104 129 HD21 ASN 18 1HD2 ASN 18 -11.029 -0.112 12.251 130 HD22 ASN 18 2HD2 ASN 18 -11.045 0.762 13.741 131 H VAL 19 H VAL 19 -7.506 -3.451 11.107 132 HA VAL 19 HA VAL 19 -8.652 -5.920 10.468 133 HB VAL 19 HB VAL 19 -5.939 -4.891 9.626 134 HG11 VAL 19 1HG1 VAL 19 -6.164 -6.366 7.721 135 HG12 VAL 19 2HG1 VAL 19 -6.293 -7.299 9.214 136 HG13 VAL 19 3HG1 VAL 19 -7.744 -6.905 8.290 137 HG21 VAL 19 1HG2 VAL 19 -7.037 -3.935 7.715 138 HG22 VAL 19 2HG2 VAL 19 -8.590 -4.599 8.219 139 HG23 VAL 19 3HG2 VAL 19 -7.822 -3.332 9.174 140 H ALA 20 H ALA 20 -8.145 -8.003 10.906 141 HA ALA 20 HA ALA 20 -6.003 -8.453 12.875 142 HB1 ALA 20 1HB ALA 20 -7.579 -10.728 12.855 143 HB2 ALA 20 2HB ALA 20 -7.631 -9.423 14.042 144 HB3 ALA 20 3HB ALA 20 -8.732 -9.405 12.665 145 H VAL 21 H VAL 21 -4.208 -9.119 11.874 146 HA VAL 21 HA VAL 21 -4.031 -10.335 9.378 147 HB VAL 21 HB VAL 21 -2.062 -10.735 11.628 148 HG11 VAL 21 1HG1 VAL 21 -2.023 -11.136 8.691 149 HG12 VAL 21 2HG1 VAL 21 -0.555 -10.518 9.449 150 HG13 VAL 21 3HG1 VAL 21 -1.238 -12.059 9.970 151 HG21 VAL 21 1HG2 VAL 21 -1.729 -8.538 11.644 152 HG22 VAL 21 2HG2 VAL 21 -1.203 -8.648 9.964 153 HG23 VAL 21 3HG2 VAL 21 -2.892 -8.306 10.339 154 H GLY 22 H GLY 22 -4.761 -11.694 12.481 155 HA2 GLY 22 2HA GLY 22 -4.842 -14.368 11.230 156 HA3 GLY 22 3HA GLY 22 -4.236 -14.137 12.863 157 H VAL 23 H VAL 23 -7.040 -14.367 10.850 158 HA VAL 23 HA VAL 23 -9.051 -13.470 12.531 159 HB VAL 23 HB VAL 23 -9.509 -14.131 10.240 160 HG11 VAL 23 1HG1 VAL 23 -9.148 -16.988 11.130 161 HG12 VAL 23 2HG1 VAL 23 -9.525 -16.412 9.505 162 HG13 VAL 23 3HG1 VAL 23 -7.948 -16.073 10.217 163 HG21 VAL 23 1HG2 VAL 23 -11.632 -14.468 10.804 164 HG22 VAL 23 2HG2 VAL 23 -11.273 -16.099 11.370 165 HG23 VAL 23 3HG2 VAL 23 -11.102 -14.728 12.466 166 H GLY 24 H GLY 24 -9.991 -14.195 14.347 167 HA2 GLY 24 2HA GLY 24 -10.483 -15.538 16.147 168 HA3 GLY 24 3HA GLY 24 -10.090 -16.917 15.130 169 H GLY 25 H GLY 25 -9.306 -17.646 17.333 170 HA2 GLY 25 2HA GLY 25 -7.553 -18.195 18.709 171 HA3 GLY 25 3HA GLY 25 -6.519 -17.759 17.356 172 H LYS 26 H LYS 26 -4.964 -16.473 18.085 173 HA LYS 26 HA LYS 26 -5.164 -14.852 20.383 174 HB2 LYS 26 2HB LYS 26 -3.118 -15.720 18.761 175 HB3 LYS 26 3HB LYS 26 -3.164 -13.996 18.419 176 HG2 LYS 26 2HG LYS 26 -2.818 -13.457 20.718 177 HG3 LYS 26 3HG LYS 26 -3.008 -15.146 21.195 178 HD2 LYS 26 2HD LYS 26 -1.009 -15.414 19.434 179 HD3 LYS 26 3HD LYS 26 -0.697 -13.761 19.967 180 HE2 LYS 26 2HE LYS 26 -0.864 -14.661 22.338 181 HE3 LYS 26 3HE LYS 26 -0.791 -16.270 21.623 182 HZ1 LYS 26 1HZ LYS 26 1.394 -15.555 22.297 183 HZ2 LYS 26 2HZ LYS 26 1.270 -14.147 21.369 184 HZ3 LYS 26 3HZ LYS 26 1.335 -15.658 20.609 185 H SER 27 H SER 27 -5.930 -14.296 17.045 186 HA SER 27 HA SER 27 -6.790 -12.515 15.920 187 HB2 SER 27 2HB SER 27 -8.436 -12.808 17.885 188 HB3 SER 27 3HB SER 27 -7.654 -11.386 18.578 189 HG SER 27 HG SER 27 -9.146 -10.437 17.394 190 H LYS 28 H LYS 28 -4.340 -12.068 15.787 191 HA LYS 28 HA LYS 28 -3.426 -9.743 17.236 192 HB2 LYS 28 2HB LYS 28 -2.251 -11.615 15.232 193 HB3 LYS 28 3HB LYS 28 -1.513 -10.030 15.420 194 HG2 LYS 28 2HG LYS 28 -1.783 -10.876 18.014 195 HG3 LYS 28 3HG LYS 28 -1.400 -12.368 17.152 196 HD2 LYS 28 2HD LYS 28 0.581 -11.334 16.197 197 HD3 LYS 28 3HD LYS 28 0.181 -9.802 16.978 198 HE2 LYS 28 2HE LYS 28 1.416 -10.474 18.703 199 HE3 LYS 28 3HE LYS 28 0.162 -11.666 19.039 200 HZ1 LYS 28 1HZ LYS 28 2.787 -12.021 17.844 201 HZ2 LYS 28 2HZ LYS 28 1.539 -12.938 17.166 202 HZ3 LYS 28 3HZ LYS 28 1.888 -13.074 18.816 203 H LYS 29 H LYS 29 -4.007 -7.756 16.694 204 HA LYS 29 HA LYS 29 -5.201 -7.130 14.178 205 HB2 LYS 29 2HB LYS 29 -4.576 -5.678 16.686 206 HB3 LYS 29 3HB LYS 29 -4.713 -4.699 15.232 207 HG2 LYS 29 2HG LYS 29 -6.944 -5.107 14.995 208 HG3 LYS 29 3HG LYS 29 -6.854 -6.678 15.793 209 HD2 LYS 29 2HD LYS 29 -6.193 -4.367 17.491 210 HD3 LYS 29 3HD LYS 29 -7.867 -4.438 16.935 211 HE2 LYS 29 2HE LYS 29 -8.224 -5.830 18.641 212 HE3 LYS 29 3HE LYS 29 -7.342 -7.032 17.701 213 HZ1 LYS 29 1HZ LYS 29 -6.661 -6.232 20.169 214 HZ2 LYS 29 2HZ LYS 29 -5.673 -5.234 19.227 215 HZ3 LYS 29 3HZ LYS 29 -5.583 -6.916 19.058 216 H PHE 30 H PHE 30 -4.366 -4.974 13.097 217 HA PHE 30 HA PHE 30 -1.624 -5.544 12.267 218 HB2 PHE 30 2HB PHE 30 -3.997 -4.541 10.961 219 HB3 PHE 30 3HB PHE 30 -2.649 -3.436 10.718 220 HD1 PHE 30 HD1 PHE 30 -0.338 -4.913 10.309 221 HD2 PHE 30 HD2 PHE 30 -4.311 -5.978 9.215 222 HE1 PHE 30 HE1 PHE 30 0.545 -6.379 8.541 223 HE2 PHE 30 HE2 PHE 30 -3.434 -7.446 7.446 224 HZ PHE 30 HZ PHE 30 -1.003 -7.649 7.108 225 H GLY 31 H GLY 31 -0.552 -3.303 11.439 226 HA2 GLY 31 2HA GLY 31 -0.937 -1.024 13.085 227 HA3 GLY 31 3HA GLY 31 0.375 -2.009 13.716 228 H GLU 32 H GLU 32 0.939 0.521 12.953 229 HA GLU 32 HA GLU 32 1.658 0.928 10.284 230 HB2 GLU 32 2HB GLU 32 1.572 2.659 12.121 231 HB3 GLU 32 3HB GLU 32 3.122 2.044 12.678 232 HG2 GLU 32 2HG GLU 32 3.186 2.626 9.855 233 HG3 GLU 32 3HG GLU 32 2.682 4.032 10.791 234 H GLY 33 H GLY 33 3.465 -0.512 12.964 235 HA2 GLY 33 2HA GLY 33 5.932 -0.778 11.624 236 HA3 GLY 33 3HA GLY 33 5.412 -1.727 13.009 237 H ASN 34 H ASN 34 3.364 -3.195 12.149 238 HA ASN 34 HA ASN 34 4.551 -5.269 10.714 239 HB2 ASN 34 2HB ASN 34 1.580 -4.748 10.927 240 HB3 ASN 34 3HB ASN 34 2.370 -6.299 10.662 241 HD21 ASN 34 1HD2 ASN 34 4.042 -6.820 12.423 242 HD22 ASN 34 2HD2 ASN 34 3.512 -6.563 14.047 243 H PHE 35 H PHE 35 2.234 -2.806 9.619 244 HA PHE 35 HA PHE 35 1.900 -3.651 7.003 245 HB2 PHE 35 2HB PHE 35 0.525 -1.887 7.874 246 HB3 PHE 35 3HB PHE 35 1.926 -0.859 8.156 247 HD1 PHE 35 HD1 PHE 35 1.963 0.946 6.754 248 HD2 PHE 35 HD2 PHE 35 0.646 -2.807 5.238 249 HE1 PHE 35 HE1 PHE 35 1.674 1.951 4.526 250 HE2 PHE 35 HE2 PHE 35 0.356 -1.808 3.007 251 HZ PHE 35 HZ PHE 35 0.871 0.574 2.650 252 H ARG 36 H ARG 36 4.423 -1.575 8.369 253 HA ARG 36 HA ARG 36 5.703 -0.982 5.922 254 HB2 ARG 36 2HB ARG 36 6.805 -1.030 8.737 255 HB3 ARG 36 3HB ARG 36 7.635 -0.342 7.348 256 HG2 ARG 36 2HG ARG 36 4.899 0.634 7.930 257 HG3 ARG 36 3HG ARG 36 6.201 1.130 9.013 258 HD2 ARG 36 2HD ARG 36 7.180 1.413 6.389 259 HD3 ARG 36 3HD ARG 36 5.553 2.093 6.394 260 HE ARG 36 HE ARG 36 7.071 3.000 8.622 261 HH11 ARG 36 1HH1 ARG 36 6.595 3.460 5.205 262 HH12 ARG 36 2HH1 ARG 36 7.127 5.108 5.221 263 HH21 ARG 36 1HH2 ARG 36 7.774 5.169 8.657 264 HH22 ARG 36 2HH2 ARG 36 7.799 6.079 7.183 265 H TRP 37 H TRP 37 6.097 -3.584 8.265 266 HA TRP 37 HA TRP 37 8.463 -4.688 7.229 267 HB2 TRP 37 2HB TRP 37 7.714 -5.365 9.403 268 HB3 TRP 37 3HB TRP 37 6.177 -5.936 8.759 269 HD1 TRP 37 HD1 TRP 37 9.714 -7.038 9.415 270 HE1 TRP 37 HE1 TRP 37 9.990 -9.504 8.731 271 HE3 TRP 37 HE3 TRP 37 5.287 -7.693 6.944 272 HZ2 TRP 37 HZ2 TRP 37 8.523 -11.467 7.330 273 HZ3 TRP 37 HZ3 TRP 37 4.801 -9.895 5.960 274 HH2 TRP 37 HH2 TRP 37 6.387 -11.741 6.150 275 H ALA 38 H ALA 38 5.102 -5.052 6.303 276 HA ALA 38 HA ALA 38 5.501 -7.283 4.573 277 HB1 ALA 38 1HB ALA 38 3.264 -5.265 4.693 278 HB2 ALA 38 2HB ALA 38 3.243 -6.745 3.734 279 HB3 ALA 38 3HB ALA 38 3.313 -6.836 5.494 280 H ILE 39 H ILE 39 4.940 -3.820 3.922 281 HA ILE 39 HA ILE 39 5.346 -3.982 1.144 282 HB ILE 39 HB ILE 39 4.230 -2.067 2.129 283 HG12 ILE 39 2HG1 ILE 39 6.838 -1.288 0.805 284 HG13 ILE 39 3HG1 ILE 39 5.362 -1.759 -0.029 285 HG21 ILE 39 1HG2 ILE 39 5.383 -0.418 3.458 286 HG22 ILE 39 2HG2 ILE 39 5.557 -2.002 4.214 287 HG23 ILE 39 3HG2 ILE 39 6.899 -1.306 3.305 288 HD11 ILE 39 1HD1 ILE 39 4.792 0.375 -0.077 289 HD12 ILE 39 2HD1 ILE 39 4.637 0.331 1.680 290 HD13 ILE 39 3HD1 ILE 39 6.164 0.810 0.940 291 H ARG 40 H ARG 40 7.561 -3.394 3.822 292 HA ARG 40 HA ARG 40 9.805 -2.653 2.289 293 HB2 ARG 40 2HB ARG 40 9.453 -3.776 5.052 294 HB3 ARG 40 3HB ARG 40 11.061 -3.549 4.378 295 HG2 ARG 40 2HG ARG 40 9.253 -1.232 4.185 296 HG3 ARG 40 3HG ARG 40 9.759 -1.690 5.813 297 HD2 ARG 40 2HD ARG 40 12.058 -1.817 4.201 298 HD3 ARG 40 3HD ARG 40 11.233 -0.320 3.769 299 HE ARG 40 HE ARG 40 12.567 -0.909 6.239 300 HH11 ARG 40 1HH1 ARG 40 10.073 0.994 4.731 301 HH12 ARG 40 2HH1 ARG 40 10.131 2.252 5.921 302 HH21 ARG 40 1HH2 ARG 40 12.654 0.740 7.813 303 HH22 ARG 40 2HH2 ARG 40 11.600 2.106 7.673 304 H MET 41 H MET 41 9.003 -5.795 3.781 305 HA MET 41 HA MET 41 11.130 -7.208 2.599 306 HB2 MET 41 2HB MET 41 8.490 -8.096 3.747 307 HB3 MET 41 3HB MET 41 9.672 -9.237 3.120 308 HG2 MET 41 2HG MET 41 10.740 -7.297 5.038 309 HG3 MET 41 3HG MET 41 9.532 -8.401 5.692 310 HE1 MET 41 1HE MET 41 12.328 -8.197 6.812 311 HE2 MET 41 2HE MET 41 13.501 -9.424 6.331 312 HE3 MET 41 3HE MET 41 13.274 -7.982 5.339 313 H ALA 42 H ALA 42 7.724 -6.872 1.648 314 HA ALA 42 HA ALA 42 7.741 -8.555 -0.567 315 HB1 ALA 42 1HB ALA 42 5.872 -7.038 -1.401 316 HB2 ALA 42 2HB ALA 42 5.648 -7.798 0.175 317 HB3 ALA 42 3HB ALA 42 6.129 -6.105 0.073 318 H ASN 43 H ASN 43 8.911 -5.278 -0.204 319 HA ASN 43 HA ASN 43 9.183 -4.719 -2.982 320 HB2 ASN 43 2HB ASN 43 9.781 -3.392 -0.464 321 HB3 ASN 43 3HB ASN 43 11.058 -3.143 -1.651 322 HD21 ASN 43 1HD2 ASN 43 10.447 -0.923 -1.646 323 HD22 ASN 43 2HD2 ASN 43 9.085 -0.390 -2.566 324 H VAL 44 H VAL 44 11.612 -5.489 -0.483 325 HA VAL 44 HA VAL 44 13.780 -5.753 -2.246 326 HB VAL 44 HB VAL 44 13.412 -7.145 0.411 327 HG11 VAL 44 1HG1 VAL 44 15.282 -8.156 -0.427 328 HG12 VAL 44 2HG1 VAL 44 15.714 -6.773 -1.435 329 HG13 VAL 44 3HG1 VAL 44 16.018 -6.729 0.302 330 HG21 VAL 44 1HG2 VAL 44 15.081 -4.959 0.759 331 HG22 VAL 44 2HG2 VAL 44 13.782 -4.351 -0.267 332 HG23 VAL 44 3HG2 VAL 44 13.403 -5.094 1.287 333 H SER 45 H SER 45 11.340 -8.041 -1.178 334 HA SER 45 HA SER 45 12.588 -10.388 -2.129 335 HB2 SER 45 2HB SER 45 9.663 -9.754 -1.680 336 HB3 SER 45 3HB SER 45 10.288 -11.366 -2.027 337 HG SER 45 HG SER 45 11.602 -11.112 -0.116 338 H THR 46 H THR 46 10.819 -7.865 -3.700 339 HA THR 46 HA THR 46 10.508 -9.442 -6.144 340 HB THR 46 HB THR 46 9.233 -7.515 -7.005 341 HG1 THR 46 HG1 THR 46 9.653 -6.404 -4.410 342 HG21 THR 46 1HG2 THR 46 8.520 -9.065 -4.632 343 HG22 THR 46 2HG2 THR 46 7.600 -8.765 -6.106 344 HG23 THR 46 3HG2 THR 46 7.591 -7.577 -4.803 345 H GLY 47 H GLY 47 13.109 -8.358 -5.022 346 HA2 GLY 47 2HA GLY 47 15.028 -7.365 -5.804 347 HA3 GLY 47 3HA GLY 47 14.438 -7.843 -7.389 348 H ARG 48 H ARG 48 12.651 -5.625 -5.382 349 HA ARG 48 HA ARG 48 13.121 -3.531 -7.376 350 HB2 ARG 48 2HB ARG 48 10.877 -4.301 -5.656 351 HB3 ARG 48 3HB ARG 48 11.181 -2.569 -5.679 352 HG2 ARG 48 2HG ARG 48 10.403 -2.341 -7.760 353 HG3 ARG 48 3HG ARG 48 11.211 -3.805 -8.324 354 HD2 ARG 48 2HD ARG 48 9.440 -5.162 -7.754 355 HD3 ARG 48 3HD ARG 48 8.847 -4.048 -6.523 356 HE ARG 48 HE ARG 48 7.552 -3.062 -8.119 357 HH11 ARG 48 1HH1 ARG 48 10.107 -4.827 -9.693 358 HH12 ARG 48 2HH1 ARG 48 9.495 -4.546 -11.290 359 HH21 ARG 48 1HH2 ARG 48 6.736 -2.685 -10.215 360 HH22 ARG 48 2HH2 ARG 48 7.578 -3.326 -11.585 361 H GLU 49 H GLU 49 14.138 -1.665 -6.917 362 HA GLU 49 HA GLU 49 15.858 -1.407 -4.774 363 HB2 GLU 49 2HB GLU 49 14.734 0.466 -6.786 364 HB3 GLU 49 3HB GLU 49 15.505 1.181 -5.375 365 HG2 GLU 49 2HG GLU 49 17.531 0.748 -6.158 366 HG3 GLU 49 3HG GLU 49 17.119 -0.935 -6.486 367 HA PRO 50 HA PRO 50 13.579 -0.051 -1.282 368 HB2 PRO 50 2HB PRO 50 15.222 1.818 -0.197 369 HB3 PRO 50 3HB PRO 50 15.574 0.086 -0.150 370 HG2 PRO 50 2HG PRO 50 16.632 2.184 -2.005 371 HG3 PRO 50 3HG PRO 50 17.498 0.862 -1.201 372 HD2 PRO 50 2HD PRO 50 16.722 0.732 -3.792 373 HD3 PRO 50 3HD PRO 50 16.805 -0.700 -2.747 374 H GLY 51 H GLY 51 14.350 2.161 -3.783 375 HA2 GLY 51 2HA GLY 51 12.866 4.373 -2.615 376 HA3 GLY 51 3HA GLY 51 13.662 4.361 -4.182 377 H ASP 52 H ASP 52 11.164 2.267 -2.753 378 HA ASP 52 HA ASP 52 9.371 3.059 -4.948 379 HB2 ASP 52 2HB ASP 52 10.444 0.429 -4.347 380 HB3 ASP 52 3HB ASP 52 8.682 0.430 -4.314 381 H ILE 53 H ILE 53 8.243 4.457 -3.575 382 HA ILE 53 HA ILE 53 6.755 3.150 -1.393 383 HB ILE 53 HB ILE 53 7.347 6.094 -1.717 384 HG12 ILE 53 2HG1 ILE 53 8.494 4.128 0.275 385 HG13 ILE 53 3HG1 ILE 53 9.337 4.680 -1.169 386 HG21 ILE 53 1HG2 ILE 53 6.568 6.063 0.731 387 HG22 ILE 53 2HG2 ILE 53 5.346 5.967 -0.535 388 HG23 ILE 53 3HG2 ILE 53 5.836 4.510 0.328 389 HD11 ILE 53 1HD1 ILE 53 9.092 5.932 1.408 390 HD12 ILE 53 2HD1 ILE 53 10.161 6.324 0.060 391 HD13 ILE 53 3HD1 ILE 53 8.536 7.006 0.124 392 HA PRO 54 HA PRO 54 3.685 4.163 -4.725 393 HB2 PRO 54 2HB PRO 54 2.359 1.801 -4.542 394 HB3 PRO 54 3HB PRO 54 3.783 2.026 -5.564 395 HG2 PRO 54 2HG PRO 54 3.583 0.806 -2.838 396 HG3 PRO 54 3HG PRO 54 4.507 0.252 -4.246 397 HD2 PRO 54 2HD PRO 54 5.647 1.605 -2.195 398 HD3 PRO 54 3HD PRO 54 6.218 1.750 -3.870 399 H GLU 55 H GLU 55 1.164 3.615 -4.479 400 HA GLU 55 HA GLU 55 0.018 3.396 -1.941 401 HB2 GLU 55 2HB GLU 55 1.269 5.848 -2.216 402 HB3 GLU 55 3HB GLU 55 -0.407 6.207 -2.606 403 HG2 GLU 55 2HG GLU 55 0.478 4.785 -0.108 404 HG3 GLU 55 3HG GLU 55 0.179 6.518 -0.216 405 H THR 56 H THR 56 -0.418 2.581 -4.658 406 HA THR 56 HA THR 56 -3.132 3.657 -5.054 407 HB THR 56 HB THR 56 -2.925 3.539 -7.421 408 HG1 THR 56 HG1 THR 56 -1.114 2.647 -8.428 409 HG21 THR 56 1HG2 THR 56 -1.938 5.543 -6.422 410 HG22 THR 56 2HG2 THR 56 -1.075 5.081 -7.890 411 HG23 THR 56 3HG2 THR 56 -0.380 4.727 -6.308 412 H LEU 57 H LEU 57 -4.543 2.142 -6.318 413 HA LEU 57 HA LEU 57 -4.547 -0.411 -5.073 414 HB2 LEU 57 2HB LEU 57 -6.507 1.035 -5.982 415 HB3 LEU 57 3HB LEU 57 -6.163 0.225 -7.508 416 HG LEU 57 HG LEU 57 -6.393 -1.938 -5.998 417 HD11 LEU 57 1HD1 LEU 57 -8.381 -0.154 -4.644 418 HD12 LEU 57 2HD1 LEU 57 -6.760 -0.373 -3.986 419 HD13 LEU 57 3HD1 LEU 57 -7.827 -1.763 -4.180 420 HD21 LEU 57 1HD2 LEU 57 -8.934 -1.763 -6.513 421 HD22 LEU 57 2HD2 LEU 57 -7.776 -1.800 -7.843 422 HD23 LEU 57 3HD2 LEU 57 -8.484 -0.268 -7.330 423 H ASP 58 H ASP 58 -3.477 0.783 -8.179 424 HA ASP 58 HA ASP 58 -3.168 -1.802 -9.375 425 HB2 ASP 58 2HB ASP 58 -1.718 0.677 -10.273 426 HB3 ASP 58 3HB ASP 58 -2.290 -0.677 -11.244 427 H GLN 59 H GLN 59 -0.986 0.530 -7.841 428 HA GLN 59 HA GLN 59 1.405 -0.871 -8.292 429 HB2 GLN 59 2HB GLN 59 0.515 1.289 -6.462 430 HB3 GLN 59 3HB GLN 59 1.980 0.425 -6.012 431 HG2 GLN 59 2HG GLN 59 3.142 1.660 -7.422 432 HG3 GLN 59 3HG GLN 59 2.173 1.048 -8.761 433 HE21 GLN 59 1HE2 GLN 59 2.392 3.562 -6.320 434 HE22 GLN 59 2HE2 GLN 59 1.449 4.732 -7.173 435 H LEU 60 H LEU 60 -0.960 -1.047 -5.679 436 HA LEU 60 HA LEU 60 0.542 -2.796 -4.027 437 HB2 LEU 60 2HB LEU 60 -2.308 -1.934 -4.172 438 HB3 LEU 60 3HB LEU 60 -1.884 -3.318 -3.166 439 HG LEU 60 HG LEU 60 -0.236 -0.930 -2.715 440 HD11 LEU 60 1HD1 LEU 60 -1.937 0.520 -2.698 441 HD12 LEU 60 2HD1 LEU 60 -2.399 -0.271 -1.191 442 HD13 LEU 60 3HD1 LEU 60 -3.154 -0.757 -2.708 443 HD21 LEU 60 1HD2 LEU 60 -1.635 -1.956 -0.438 444 HD22 LEU 60 2HD2 LEU 60 0.090 -2.012 -0.805 445 HD23 LEU 60 3HD2 LEU 60 -0.977 -3.293 -1.381 446 H ARG 61 H ARG 61 -2.265 -3.416 -6.143 447 HA ARG 61 HA ARG 61 -2.283 -6.192 -5.881 448 HB2 ARG 61 2HB ARG 61 -4.169 -5.096 -6.858 449 HB3 ARG 61 3HB ARG 61 -3.183 -4.406 -8.139 450 HG2 ARG 61 2HG ARG 61 -2.791 -6.671 -9.023 451 HG3 ARG 61 3HG ARG 61 -3.850 -7.318 -7.769 452 HD2 ARG 61 2HD ARG 61 -4.919 -6.972 -10.020 453 HD3 ARG 61 3HD ARG 61 -5.739 -6.199 -8.665 454 HE ARG 61 HE ARG 61 -5.299 -4.165 -9.609 455 HH11 ARG 61 1HH1 ARG 61 -3.250 -6.564 -11.079 456 HH12 ARG 61 2HH1 ARG 61 -2.639 -5.488 -12.291 457 HH21 ARG 61 1HH2 ARG 61 -4.502 -2.738 -11.201 458 HH22 ARG 61 2HH2 ARG 61 -3.352 -3.313 -12.360 459 H LEU 62 H LEU 62 -0.165 -4.129 -7.649 460 HA LEU 62 HA LEU 62 0.756 -6.110 -9.506 461 HB2 LEU 62 2HB LEU 62 0.878 -3.710 -9.984 462 HB3 LEU 62 3HB LEU 62 2.010 -3.504 -8.648 463 HG LEU 62 HG LEU 62 3.447 -5.227 -10.008 464 HD11 LEU 62 1HD1 LEU 62 2.421 -5.868 -11.889 465 HD12 LEU 62 2HD1 LEU 62 2.922 -4.298 -12.515 466 HD13 LEU 62 3HD1 LEU 62 1.300 -4.507 -11.857 467 HD21 LEU 62 1HD2 LEU 62 4.585 -3.384 -11.076 468 HD22 LEU 62 2HD2 LEU 62 4.045 -2.893 -9.470 469 HD23 LEU 62 3HD2 LEU 62 3.160 -2.361 -10.900 470 H VAL 63 H VAL 63 2.396 -4.471 -6.788 471 HA VAL 63 HA VAL 63 4.646 -6.061 -6.659 472 HB VAL 63 HB VAL 63 4.777 -5.445 -4.248 473 HG11 VAL 63 1HG1 VAL 63 4.451 -2.855 -4.826 474 HG12 VAL 63 2HG1 VAL 63 5.806 -3.809 -5.433 475 HG13 VAL 63 3HG1 VAL 63 4.400 -3.517 -6.459 476 HG21 VAL 63 1HG2 VAL 63 2.347 -5.543 -3.803 477 HG22 VAL 63 2HG2 VAL 63 3.083 -4.037 -3.258 478 HG23 VAL 63 3HG2 VAL 63 2.140 -4.070 -4.749 479 H ILE 64 H ILE 64 1.413 -6.738 -5.537 480 HA ILE 64 HA ILE 64 2.088 -8.947 -3.871 481 HB ILE 64 HB ILE 64 -0.534 -8.260 -5.203 482 HG12 ILE 64 2HG1 ILE 64 0.058 -7.919 -2.288 483 HG13 ILE 64 3HG1 ILE 64 0.630 -6.705 -3.428 484 HG21 ILE 64 1HG2 ILE 64 -1.137 -10.323 -4.600 485 HG22 ILE 64 2HG2 ILE 64 0.310 -10.549 -3.617 486 HG23 ILE 64 3HG2 ILE 64 -1.094 -9.722 -2.942 487 HD11 ILE 64 1HD1 ILE 64 -2.044 -7.151 -4.090 488 HD12 ILE 64 2HD1 ILE 64 -1.987 -7.085 -2.327 489 HD13 ILE 64 3HD1 ILE 64 -1.353 -5.744 -3.281 490 H CYS 65 H CYS 65 0.505 -8.838 -7.070 491 HA CYS 65 HA CYS 65 0.555 -11.565 -7.585 492 HB2 CYS 65 2HB CYS 65 0.146 -9.122 -9.126 493 HB3 CYS 65 3HB CYS 65 0.889 -10.400 -10.081 494 HG CYS 65 HG CYS 65 -1.154 -12.075 -10.120 495 H ASP 66 H ASP 66 3.101 -9.219 -7.754 496 HA ASP 66 HA ASP 66 4.859 -10.773 -9.394 497 HB2 ASP 66 2HB ASP 66 5.507 -8.481 -7.526 498 HB3 ASP 66 3HB ASP 66 6.555 -9.120 -8.789 499 H LEU 67 H LEU 67 5.192 -9.794 -5.977 500 HA LEU 67 HA LEU 67 7.189 -11.612 -5.318 501 HB2 LEU 67 2HB LEU 67 6.759 -11.102 -3.062 502 HB3 LEU 67 3HB LEU 67 6.381 -9.641 -3.974 503 HG LEU 67 HG LEU 67 3.931 -10.707 -3.853 504 HD11 LEU 67 1HD1 LEU 67 4.219 -11.334 -1.147 505 HD12 LEU 67 2HD1 LEU 67 5.483 -12.241 -1.980 506 HD13 LEU 67 3HD1 LEU 67 3.798 -12.431 -2.464 507 HD21 LEU 67 1HD2 LEU 67 4.991 -9.256 -1.456 508 HD22 LEU 67 2HD2 LEU 67 3.436 -9.079 -2.267 509 HD23 LEU 67 3HD2 LEU 67 4.903 -8.468 -3.031 510 H GLN 68 H GLN 68 3.694 -11.995 -5.351 511 HA GLN 68 HA GLN 68 3.634 -14.505 -4.028 512 HB2 GLN 68 2HB GLN 68 1.692 -12.900 -4.359 513 HB3 GLN 68 3HB GLN 68 1.596 -13.497 -6.010 514 HG2 GLN 68 2HG GLN 68 1.434 -15.826 -4.911 515 HG3 GLN 68 3HG GLN 68 1.024 -14.928 -3.451 516 HE21 GLN 68 1HE2 GLN 68 -1.041 -15.878 -3.463 517 HE22 GLN 68 2HE2 GLN 68 -2.271 -15.339 -4.548 518 H GLU 69 H GLU 69 3.766 -13.550 -7.428 519 HA GLU 69 HA GLU 69 3.424 -16.072 -8.579 520 HB2 GLU 69 2HB GLU 69 4.552 -13.478 -9.441 521 HB3 GLU 69 3HB GLU 69 5.085 -14.884 -10.353 522 HG2 GLU 69 2HG GLU 69 2.177 -14.549 -9.848 523 HG3 GLU 69 3HG GLU 69 2.951 -13.512 -11.044 524 H ARG 70 H ARG 70 6.352 -14.437 -7.450 525 HA ARG 70 HA ARG 70 8.176 -16.405 -8.337 526 HB2 ARG 70 2HB ARG 70 8.251 -14.056 -6.547 527 HB3 ARG 70 3HB ARG 70 9.458 -15.292 -6.220 528 HG2 ARG 70 2HG ARG 70 10.707 -14.500 -7.862 529 HG3 ARG 70 3HG ARG 70 9.421 -14.862 -9.014 530 HD2 ARG 70 2HD ARG 70 8.383 -12.678 -8.468 531 HD3 ARG 70 3HD ARG 70 9.763 -12.320 -7.430 532 HE ARG 70 HE ARG 70 9.669 -12.173 -10.291 533 HH11 ARG 70 1HH1 ARG 70 11.740 -12.657 -7.535 534 HH12 ARG 70 2HH1 ARG 70 13.172 -12.122 -8.353 535 HH21 ARG 70 1HH2 ARG 70 11.545 -11.467 -11.379 536 HH22 ARG 70 2HH2 ARG 70 13.059 -11.444 -10.539 537 H ARG 71 H ARG 71 7.004 -15.730 -5.032 538 HA ARG 71 HA ARG 71 8.101 -17.997 -3.833 539 HB2 ARG 71 2HB ARG 71 7.272 -16.138 -2.514 540 HB3 ARG 71 3HB ARG 71 5.633 -16.422 -3.086 541 HG2 ARG 71 2HG ARG 71 6.063 -17.234 -0.782 542 HG3 ARG 71 3HG ARG 71 5.502 -18.487 -1.891 543 HD2 ARG 71 2HD ARG 71 7.417 -19.117 -0.359 544 HD3 ARG 71 3HD ARG 71 7.657 -19.426 -2.078 545 HE ARG 71 HE ARG 71 8.669 -16.878 -1.393 546 HH11 ARG 71 1HH1 ARG 71 9.356 -20.274 -1.051 547 HH12 ARG 71 2HH1 ARG 71 11.070 -20.049 -0.938 548 HH21 ARG 71 1HH2 ARG 71 10.924 -16.570 -1.245 549 HH22 ARG 71 2HH2 ARG 71 11.961 -17.942 -1.048 550 H GLU 72 H GLU 72 5.292 -17.631 -5.815 551 HA GLU 72 HA GLU 72 3.895 -19.957 -4.997 552 HB2 GLU 72 2HB GLU 72 2.710 -18.265 -6.211 553 HB3 GLU 72 3HB GLU 72 3.837 -18.362 -7.558 554 HG2 GLU 72 2HG GLU 72 2.671 -19.979 -8.518 555 HG3 GLU 72 3HG GLU 72 2.645 -20.929 -7.032 556 H LYS 73 H LYS 73 5.913 -19.354 -7.876 557 HA LYS 73 HA LYS 73 5.923 -21.963 -8.851 558 HB2 LYS 73 2HB LYS 73 6.743 -19.891 -10.034 559 HB3 LYS 73 3HB LYS 73 8.214 -20.008 -9.078 560 HG2 LYS 73 2HG LYS 73 8.982 -21.180 -10.820 561 HG3 LYS 73 3HG LYS 73 8.068 -22.511 -10.107 562 HD2 LYS 73 2HD LYS 73 6.967 -22.640 -12.043 563 HD3 LYS 73 3HD LYS 73 6.191 -21.117 -11.602 564 HE2 LYS 73 2HE LYS 73 8.650 -20.350 -12.616 565 HE3 LYS 73 3HE LYS 73 8.158 -21.680 -13.663 566 HZ1 LYS 73 1HZ LYS 73 5.920 -20.416 -13.711 567 HZ2 LYS 73 2HZ LYS 73 7.197 -19.870 -14.676 568 HZ3 LYS 73 3HZ LYS 73 6.842 -19.086 -13.220 569 H PHE 74 H PHE 74 7.945 -20.425 -6.418 570 HA PHE 74 HA PHE 74 9.715 -22.682 -6.176 571 HB2 PHE 74 2HB PHE 74 9.775 -19.990 -5.386 572 HB3 PHE 74 3HB PHE 74 9.754 -20.915 -3.888 573 HD1 PHE 74 HD1 PHE 74 11.486 -22.765 -3.615 574 HD2 PHE 74 HD2 PHE 74 11.739 -19.744 -6.603 575 HE1 PHE 74 HE1 PHE 74 13.893 -23.211 -3.857 576 HE2 PHE 74 HE2 PHE 74 14.147 -20.187 -6.851 577 HZ PHE 74 HZ PHE 74 15.226 -21.924 -5.478 578 H GLY 75 H GLY 75 6.708 -21.696 -4.807 579 HA2 GLY 75 2HA GLY 75 5.634 -23.824 -3.809 580 HA3 GLY 75 3HA GLY 75 6.955 -23.690 -2.658 581 H SER 76 H SER 76 6.538 -22.635 -0.839 582 HA SER 76 HA SER 76 4.733 -20.361 -0.825 583 HB2 SER 76 2HB SER 76 4.169 -22.589 1.119 584 HB3 SER 76 3HB SER 76 3.148 -21.219 0.687 585 HG SER 76 HG SER 76 2.976 -23.587 -0.302 586 H SER 77 H SER 77 4.673 -19.309 1.346 587 HA SER 77 HA SER 77 6.730 -19.984 3.237 588 HB2 SER 77 2HB SER 77 8.338 -18.889 2.036 589 HB3 SER 77 3HB SER 77 7.167 -17.878 1.189 590 HG SER 77 HG SER 77 8.624 -17.311 3.375 591 H LYS 78 H LYS 78 6.497 -18.917 5.193 592 HA LYS 78 HA LYS 78 3.921 -17.902 5.770 593 HB2 LYS 78 2HB LYS 78 6.446 -17.776 7.429 594 HB3 LYS 78 3HB LYS 78 4.819 -17.475 8.024 595 HG2 LYS 78 2HG LYS 78 4.522 -19.934 6.922 596 HG3 LYS 78 3HG LYS 78 6.195 -20.005 7.479 597 HD2 LYS 78 2HD LYS 78 5.302 -19.094 9.697 598 HD3 LYS 78 3HD LYS 78 3.703 -19.515 9.083 599 HE2 LYS 78 2HE LYS 78 4.052 -21.731 9.326 600 HE3 LYS 78 3HE LYS 78 5.745 -21.622 8.850 601 HZ1 LYS 78 1HZ LYS 78 5.888 -20.416 11.177 602 HZ2 LYS 78 2HZ LYS 78 6.005 -22.097 11.036 603 HZ3 LYS 78 3HZ LYS 78 4.541 -21.388 11.499 604 H GLU 79 H GLU 79 7.110 -16.302 5.805 605 HA GLU 79 HA GLU 79 6.229 -13.725 6.349 606 HB2 GLU 79 2HB GLU 79 8.571 -14.478 4.593 607 HB3 GLU 79 3HB GLU 79 8.345 -12.954 5.441 608 HG2 GLU 79 2HG GLU 79 9.458 -13.789 7.154 609 HG3 GLU 79 3HG GLU 79 8.161 -14.958 7.391 610 H ILE 80 H ILE 80 6.437 -15.445 3.285 611 HA ILE 80 HA ILE 80 5.879 -13.225 1.617 612 HB ILE 80 HB ILE 80 5.415 -16.166 1.109 613 HG12 ILE 80 2HG1 ILE 80 7.779 -15.428 1.599 614 HG13 ILE 80 3HG1 ILE 80 7.545 -16.172 0.021 615 HG21 ILE 80 1HG2 ILE 80 4.800 -13.797 -0.454 616 HG22 ILE 80 2HG2 ILE 80 5.848 -14.923 -1.314 617 HG23 ILE 80 3HG2 ILE 80 4.293 -15.469 -0.688 618 HD11 ILE 80 1HD1 ILE 80 7.964 -14.246 -1.101 619 HD12 ILE 80 2HD1 ILE 80 7.343 -13.223 0.195 620 HD13 ILE 80 3HD1 ILE 80 8.940 -13.957 0.338 621 H ASP 81 H ASP 81 3.774 -15.949 2.563 622 HA ASP 81 HA ASP 81 1.403 -15.008 1.514 623 HB2 ASP 81 2HB ASP 81 2.167 -17.154 3.103 624 HB3 ASP 81 3HB ASP 81 1.003 -16.288 4.102 625 H MET 82 H MET 82 3.001 -14.122 4.508 626 HA MET 82 HA MET 82 0.823 -12.691 5.635 627 HB2 MET 82 2HB MET 82 2.815 -13.542 6.901 628 HB3 MET 82 3HB MET 82 3.768 -12.265 6.157 629 HG2 MET 82 2HG MET 82 2.278 -10.595 7.184 630 HG3 MET 82 3HG MET 82 1.401 -11.901 7.978 631 HE1 MET 82 1HE MET 82 2.890 -10.468 10.979 632 HE2 MET 82 2HE MET 82 1.498 -10.864 9.972 633 HE3 MET 82 3HE MET 82 2.298 -12.127 10.907 634 H ALA 83 H ALA 83 3.819 -11.524 4.085 635 HA ALA 83 HA ALA 83 3.238 -8.829 4.023 636 HB1 ALA 83 1HB ALA 83 5.406 -9.434 3.403 637 HB2 ALA 83 2HB ALA 83 4.839 -10.564 2.173 638 HB3 ALA 83 3HB ALA 83 4.689 -8.826 1.910 639 H ILE 84 H ILE 84 2.021 -11.387 1.976 640 HA ILE 84 HA ILE 84 0.952 -9.727 -0.066 641 HB ILE 84 HB ILE 84 0.139 -12.516 0.762 642 HG12 ILE 84 2HG1 ILE 84 1.742 -11.877 -1.678 643 HG13 ILE 84 3HG1 ILE 84 2.555 -11.895 -0.118 644 HG21 ILE 84 1HG2 ILE 84 -0.957 -10.674 -1.185 645 HG22 ILE 84 2HG2 ILE 84 -0.410 -12.175 -1.931 646 HG23 ILE 84 3HG2 ILE 84 -1.584 -12.221 -0.616 647 HD11 ILE 84 1HD1 ILE 84 2.665 -14.102 -0.152 648 HD12 ILE 84 2HD1 ILE 84 0.923 -14.233 -0.401 649 HD13 ILE 84 3HD1 ILE 84 2.003 -14.064 -1.786 650 H VAL 85 H VAL 85 -0.691 -11.516 2.552 651 HA VAL 85 HA VAL 85 -3.211 -10.365 2.187 652 HB VAL 85 HB VAL 85 -3.728 -11.108 4.468 653 HG11 VAL 85 1HG1 VAL 85 -4.015 -12.874 3.039 654 HG12 VAL 85 2HG1 VAL 85 -2.320 -12.898 2.550 655 HG13 VAL 85 3HG1 VAL 85 -2.794 -13.544 4.120 656 HG21 VAL 85 1HG2 VAL 85 -1.503 -10.452 5.418 657 HG22 VAL 85 2HG2 VAL 85 -2.084 -12.037 5.927 658 HG23 VAL 85 3HG2 VAL 85 -0.832 -11.913 4.692 659 H THR 86 H THR 86 -0.353 -9.084 3.596 660 HA THR 86 HA THR 86 -1.602 -7.132 5.272 661 HB THR 86 HB THR 86 1.206 -7.084 4.155 662 HG1 THR 86 HG1 THR 86 0.366 -8.985 5.523 663 HG21 THR 86 1HG2 THR 86 -0.287 -5.443 6.089 664 HG22 THR 86 2HG2 THR 86 1.143 -5.052 5.132 665 HG23 THR 86 3HG2 THR 86 1.307 -5.969 6.630 666 H LEU 87 H LEU 87 0.103 -6.912 2.146 667 HA LEU 87 HA LEU 87 -0.589 -4.182 1.736 668 HB2 LEU 87 2HB LEU 87 0.220 -6.183 -0.361 669 HB3 LEU 87 3HB LEU 87 0.371 -4.429 -0.438 670 HG LEU 87 HG LEU 87 1.859 -6.002 1.634 671 HD11 LEU 87 1HD1 LEU 87 3.064 -5.333 -1.023 672 HD12 LEU 87 2HD1 LEU 87 2.220 -6.861 -0.771 673 HD13 LEU 87 3HD1 LEU 87 3.631 -6.462 0.209 674 HD21 LEU 87 1HD2 LEU 87 2.628 -3.472 0.203 675 HD22 LEU 87 2HD2 LEU 87 3.278 -4.122 1.709 676 HD23 LEU 87 3HD2 LEU 87 1.636 -3.475 1.662 677 H LYS 88 H LYS 88 -2.206 -7.166 1.188 678 HA LYS 88 HA LYS 88 -3.965 -6.270 -0.876 679 HB2 LYS 88 2HB LYS 88 -3.809 -8.652 0.917 680 HB3 LYS 88 3HB LYS 88 -5.330 -8.321 0.099 681 HG2 LYS 88 2HG LYS 88 -3.701 -8.114 -1.993 682 HG3 LYS 88 3HG LYS 88 -2.733 -9.208 -1.004 683 HD2 LYS 88 2HD LYS 88 -4.615 -10.747 -0.839 684 HD3 LYS 88 3HD LYS 88 -5.618 -9.641 -1.783 685 HE2 LYS 88 2HE LYS 88 -4.896 -10.620 -3.640 686 HE3 LYS 88 3HE LYS 88 -3.261 -10.075 -3.268 687 HZ1 LYS 88 1HZ LYS 88 -2.745 -12.215 -3.108 688 HZ2 LYS 88 2HZ LYS 88 -4.363 -12.702 -3.143 689 HZ3 LYS 88 3HZ LYS 88 -3.644 -12.267 -1.675 690 H VAL 89 H VAL 89 -4.526 -6.971 2.580 691 HA VAL 89 HA VAL 89 -7.116 -5.910 2.690 692 HB VAL 89 HB VAL 89 -6.258 -7.356 4.449 693 HG11 VAL 89 1HG1 VAL 89 -4.500 -6.852 5.862 694 HG12 VAL 89 2HG1 VAL 89 -3.938 -6.188 4.327 695 HG13 VAL 89 3HG1 VAL 89 -4.614 -5.120 5.556 696 HG21 VAL 89 1HG2 VAL 89 -7.944 -5.313 4.800 697 HG22 VAL 89 2HG2 VAL 89 -7.497 -6.417 6.102 698 HG23 VAL 89 3HG2 VAL 89 -6.700 -4.851 5.960 699 H PHE 90 H PHE 90 -3.964 -4.404 3.184 700 HA PHE 90 HA PHE 90 -4.933 -1.919 4.127 701 HB2 PHE 90 2HB PHE 90 -2.655 -2.413 4.561 702 HB3 PHE 90 3HB PHE 90 -2.329 -2.763 2.866 703 HD1 PHE 90 HD1 PHE 90 -2.756 -0.144 5.371 704 HD2 PHE 90 HD2 PHE 90 -1.999 -0.976 1.265 705 HE1 PHE 90 HE1 PHE 90 -2.009 2.177 5.042 706 HE2 PHE 90 HE2 PHE 90 -1.249 1.343 0.931 707 HZ PHE 90 HZ PHE 90 -1.252 2.923 2.820 708 H ALA 91 H ALA 91 -4.192 -3.156 0.910 709 HA ALA 91 HA ALA 91 -4.399 -0.759 -0.521 710 HB1 ALA 91 1HB ALA 91 -5.080 -3.549 -1.445 711 HB2 ALA 91 2HB ALA 91 -4.772 -2.158 -2.486 712 HB3 ALA 91 3HB ALA 91 -3.479 -2.809 -1.479 713 H VAL 92 H VAL 92 -6.876 -3.222 0.169 714 HA VAL 92 HA VAL 92 -8.975 -1.742 -1.083 715 HB VAL 92 HB VAL 92 -9.117 -4.167 -0.906 716 HG11 VAL 92 1HG1 VAL 92 -7.951 -4.280 1.318 717 HG12 VAL 92 2HG1 VAL 92 -9.483 -3.821 2.064 718 HG13 VAL 92 3HG1 VAL 92 -9.358 -5.328 1.155 719 HG21 VAL 92 1HG2 VAL 92 -11.387 -3.824 0.744 720 HG22 VAL 92 2HG2 VAL 92 -11.163 -2.327 -0.160 721 HG23 VAL 92 3HG2 VAL 92 -11.314 -3.861 -1.017 722 H ALA 93 H ALA 93 -7.936 -2.242 2.266 723 HA ALA 93 HA ALA 93 -10.058 -0.755 3.436 724 HB1 ALA 93 1HB ALA 93 -8.594 -0.763 5.463 725 HB2 ALA 93 2HB ALA 93 -8.913 -2.358 4.781 726 HB3 ALA 93 3HB ALA 93 -7.360 -1.571 4.498 727 H GLY 94 H GLY 94 -7.373 0.197 1.646 728 HA2 GLY 94 2HA GLY 94 -7.357 2.871 2.895 729 HA3 GLY 94 3HA GLY 94 -6.029 2.197 1.962 730 H LEU 95 H LEU 95 -6.702 1.587 -0.364 731 HA LEU 95 HA LEU 95 -7.456 3.952 -1.685 732 HB2 LEU 95 2HB LEU 95 -7.197 1.107 -2.621 733 HB3 LEU 95 3HB LEU 95 -7.607 2.431 -3.709 734 HG LEU 95 HG LEU 95 -5.295 2.039 -3.975 735 HD11 LEU 95 1HD1 LEU 95 -6.175 4.449 -3.487 736 HD12 LEU 95 2HD1 LEU 95 -4.444 4.142 -3.623 737 HD13 LEU 95 3HD1 LEU 95 -5.189 4.298 -2.032 738 HD21 LEU 95 1HD2 LEU 95 -3.717 1.836 -2.198 739 HD22 LEU 95 2HD2 LEU 95 -5.050 0.732 -1.857 740 HD23 LEU 95 3HD2 LEU 95 -4.931 2.267 -0.994 741 H LEU 96 H LEU 96 -9.292 1.238 -0.539 742 HA LEU 96 HA LEU 96 -11.701 2.311 -1.846 743 HB2 LEU 96 2HB LEU 96 -10.708 -0.270 -1.822 744 HB3 LEU 96 3HB LEU 96 -11.984 -0.304 -0.607 745 HG LEU 96 HG LEU 96 -13.568 0.550 -2.315 746 HD11 LEU 96 1HD1 LEU 96 -11.102 0.796 -3.834 747 HD12 LEU 96 2HD1 LEU 96 -12.676 1.549 -4.094 748 HD13 LEU 96 3HD1 LEU 96 -12.362 -0.073 -4.710 749 HD21 LEU 96 1HD2 LEU 96 -13.865 -1.691 -2.157 750 HD22 LEU 96 2HD2 LEU 96 -12.167 -2.053 -2.473 751 HD23 LEU 96 3HD2 LEU 96 -13.245 -1.639 -3.808 752 H ASN 97 H ASN 97 -10.122 2.493 0.977 753 HA ASN 97 HA ASN 97 -10.674 2.904 3.150 754 HB2 ASN 97 2HB ASN 97 -13.361 3.834 2.176 755 HB3 ASN 97 3HB ASN 97 -12.362 4.498 3.466 756 HD21 ASN 97 1HD2 ASN 97 -13.511 5.195 0.562 757 HD22 ASN 97 2HD2 ASN 97 -12.240 6.180 -0.068 758 H MET 98 H MET 98 -11.351 0.268 2.095 759 HA MET 98 HA MET 98 -13.877 -0.560 3.088 760 HB2 MET 98 2HB MET 98 -12.395 -1.744 1.372 761 HB3 MET 98 3HB MET 98 -11.475 -2.346 2.743 762 HG2 MET 98 2HG MET 98 -13.027 -4.026 2.096 763 HG3 MET 98 3HG MET 98 -13.564 -3.348 3.632 764 HE1 MET 98 1HE MET 98 -15.438 -4.664 3.259 765 HE2 MET 98 2HE MET 98 -16.844 -3.606 3.173 766 HE3 MET 98 3HE MET 98 -16.472 -4.688 1.831 767 H THR 99 H THR 99 -14.294 -1.929 4.914 768 HA THR 99 HA THR 99 -12.502 -1.347 7.174 769 HB THR 99 HB THR 99 -14.722 -0.421 7.487 770 HG1 THR 99 HG1 THR 99 -13.822 -1.195 9.380 771 HG21 THR 99 1HG2 THR 99 -16.331 -1.525 6.338 772 HG22 THR 99 2HG2 THR 99 -16.512 -2.406 7.857 773 HG23 THR 99 3HG2 THR 99 -15.553 -3.094 6.547 774 H VAL 100 H VAL 100 -11.566 -3.379 5.747 775 HA VAL 100 HA VAL 100 -12.535 -5.937 6.092 776 HB VAL 100 HB VAL 100 -9.638 -5.080 6.136 777 HG11 VAL 100 1HG1 VAL 100 -10.863 -7.772 5.544 778 HG12 VAL 100 2HG1 VAL 100 -9.153 -7.361 5.398 779 HG13 VAL 100 3HG1 VAL 100 -9.932 -7.350 6.981 780 HG21 VAL 100 1HG2 VAL 100 -10.636 -6.270 3.691 781 HG22 VAL 100 2HG2 VAL 100 -11.511 -4.799 4.112 782 HG23 VAL 100 3HG2 VAL 100 -9.758 -4.760 3.932 783 H SER 101 H SER 101 -12.342 -7.526 7.643 784 HA SER 101 HA SER 101 -11.745 -6.556 10.340 785 HB2 SER 101 2HB SER 101 -12.857 -9.257 10.111 786 HB3 SER 101 3HB SER 101 -13.415 -7.887 11.071 787 HG SER 101 HG SER 101 -14.272 -8.776 8.638 788 H THR 102 H THR 102 -10.732 -8.890 7.960 789 HA THR 102 HA THR 102 -8.377 -9.485 9.578 790 HB THR 102 HB THR 102 -8.537 -11.869 9.329 791 HG1 THR 102 HG1 THR 102 -11.112 -11.692 8.197 792 HG21 THR 102 1HG2 THR 102 -10.509 -12.364 10.683 793 HG22 THR 102 2HG2 THR 102 -11.191 -10.787 10.286 794 HG23 THR 102 3HG2 THR 102 -9.718 -10.894 11.249 795 H ALA 103 H ALA 103 -6.555 -9.943 8.392 796 HA ALA 103 HA ALA 103 -6.290 -8.935 5.838 797 HB1 ALA 103 1HB ALA 103 -4.532 -11.171 6.767 798 HB2 ALA 103 2HB ALA 103 -4.109 -9.721 5.857 799 HB3 ALA 103 3HB ALA 103 -4.495 -9.604 7.574 800 H ALA 104 H ALA 104 -7.136 -12.191 6.850 801 HA ALA 104 HA ALA 104 -6.828 -13.469 4.357 802 HB1 ALA 104 1HB ALA 104 -7.251 -15.226 5.639 803 HB2 ALA 104 2HB ALA 104 -7.749 -14.165 6.956 804 HB3 ALA 104 3HB ALA 104 -8.935 -14.718 5.775 805 H ALA 105 H ALA 105 -9.793 -12.287 5.956 806 HA ALA 105 HA ALA 105 -11.591 -12.789 3.921 807 HB1 ALA 105 1HB ALA 105 -11.562 -10.546 5.933 808 HB2 ALA 105 2HB ALA 105 -12.937 -10.924 4.893 809 HB3 ALA 105 3HB ALA 105 -12.372 -12.107 6.074 810 H ALA 106 H ALA 106 -9.331 -10.124 4.274 811 HA ALA 106 HA ALA 106 -10.373 -8.453 2.258 812 HB1 ALA 106 1HB ALA 106 -8.000 -8.558 3.915 813 HB2 ALA 106 2HB ALA 106 -7.643 -7.981 2.287 814 HB3 ALA 106 3HB ALA 106 -8.862 -7.164 3.264 815 H GLU 107 H GLU 107 -7.607 -10.708 2.145 816 HA GLU 107 HA GLU 107 -6.979 -10.460 -0.530 817 HB2 GLU 107 2HB GLU 107 -5.543 -11.706 0.931 818 HB3 GLU 107 3HB GLU 107 -6.815 -12.869 1.280 819 HG2 GLU 107 2HG GLU 107 -6.052 -12.583 -1.554 820 HG3 GLU 107 3HG GLU 107 -4.848 -13.301 -0.485 821 H ASN 108 H ASN 108 -9.492 -12.407 0.981 822 HA ASN 108 HA ASN 108 -10.222 -13.907 -1.288 823 HB2 ASN 108 2HB ASN 108 -11.671 -13.138 1.236 824 HB3 ASN 108 3HB ASN 108 -12.475 -14.060 -0.031 825 HD21 ASN 108 1HD2 ASN 108 -12.153 -15.065 2.504 826 HD22 ASN 108 2HD2 ASN 108 -11.042 -16.387 2.460 827 H MET 109 H MET 109 -11.504 -10.864 0.025 828 HA MET 109 HA MET 109 -13.473 -10.506 -1.975 829 HB2 MET 109 2HB MET 109 -12.561 -9.115 0.346 830 HB3 MET 109 3HB MET 109 -12.639 -7.974 -0.989 831 HG2 MET 109 2HG MET 109 -14.974 -8.743 -1.409 832 HG3 MET 109 3HG MET 109 -14.865 -9.694 0.070 833 HE1 MET 109 1HE MET 109 -16.432 -9.057 1.368 834 HE2 MET 109 2HE MET 109 -16.465 -7.610 2.377 835 HE3 MET 109 3HE MET 109 -17.332 -7.634 0.841 836 H TYR 110 H TYR 110 -10.097 -9.579 -1.722 837 HA TYR 110 HA TYR 110 -9.978 -7.733 -3.818 838 HB2 TYR 110 2HB TYR 110 -8.165 -8.865 -2.051 839 HB3 TYR 110 3HB TYR 110 -7.601 -9.413 -3.626 840 HD1 TYR 110 HD1 TYR 110 -6.195 -8.038 -4.847 841 HD2 TYR 110 HD2 TYR 110 -8.714 -6.298 -1.892 842 HE1 TYR 110 HE1 TYR 110 -5.125 -5.856 -5.228 843 HE2 TYR 110 HE2 TYR 110 -7.652 -4.111 -2.266 844 HH TYR 110 HH TYR 110 -4.953 -3.744 -4.536 845 H SER 111 H SER 111 -9.366 -11.240 -3.848 846 HA SER 111 HA SER 111 -9.027 -11.316 -6.694 847 HB2 SER 111 2HB SER 111 -7.884 -13.097 -5.860 848 HB3 SER 111 3HB SER 111 -8.949 -13.256 -4.463 849 HG SER 111 HG SER 111 -10.031 -14.719 -5.501 850 H GLN 112 H GLN 112 -11.612 -12.177 -4.438 851 HA GLN 112 HA GLN 112 -13.379 -13.323 -6.280 852 HB2 GLN 112 2HB GLN 112 -13.685 -13.518 -3.863 853 HB3 GLN 112 3HB GLN 112 -13.996 -11.791 -3.748 854 HG2 GLN 112 2HG GLN 112 -16.053 -11.984 -4.882 855 HG3 GLN 112 3HG GLN 112 -15.695 -13.629 -5.402 856 HE21 GLN 112 1HE2 GLN 112 -15.328 -15.191 -3.563 857 HE22 GLN 112 2HE2 GLN 112 -16.407 -15.073 -2.220 858 H MET 113 H MET 113 -12.760 -9.974 -5.437 859 HA MET 113 HA MET 113 -15.014 -8.912 -6.832 860 HB2 MET 113 2HB MET 113 -12.518 -7.741 -5.650 861 HB3 MET 113 3HB MET 113 -13.557 -6.756 -6.671 862 HG2 MET 113 2HG MET 113 -15.163 -8.107 -4.742 863 HG3 MET 113 3HG MET 113 -13.820 -7.309 -3.924 864 HE1 MET 113 1HE MET 113 -14.512 -4.074 -3.446 865 HE2 MET 113 2HE MET 113 -15.912 -4.938 -2.811 866 HE3 MET 113 3HE MET 113 -14.319 -5.698 -2.785 867 H GLY 114 H GLY 114 -11.823 -9.900 -7.737 868 HA2 GLY 114 2HA GLY 114 -11.487 -10.411 -10.103 869 HA3 GLY 114 3HA GLY 114 -12.358 -8.930 -10.474 870 H LEU 115 H LEU 115 -10.153 -8.816 -7.842 871 HA LEU 115 HA LEU 115 -8.402 -7.080 -9.410 872 HB2 LEU 115 2HB LEU 115 -8.137 -7.544 -6.469 873 HB3 LEU 115 3HB LEU 115 -7.707 -6.120 -7.414 874 HG LEU 115 HG LEU 115 -10.536 -6.987 -6.831 875 HD11 LEU 115 1HD1 LEU 115 -10.365 -6.053 -4.832 876 HD12 LEU 115 2HD1 LEU 115 -9.824 -4.545 -5.566 877 HD13 LEU 115 3HD1 LEU 115 -8.646 -5.773 -5.108 878 HD21 LEU 115 1HD2 LEU 115 -10.655 -4.367 -7.406 879 HD22 LEU 115 2HD2 LEU 115 -10.853 -5.637 -8.613 880 HD23 LEU 115 3HD2 LEU 115 -9.293 -4.836 -8.423 881 H ASP 116 H ASP 116 -8.008 -9.645 -6.960 882 HA ASP 116 HA ASP 116 -5.312 -10.165 -7.919 883 HB2 ASP 116 2HB ASP 116 -5.568 -10.169 -5.536 884 HB3 ASP 116 3HB ASP 116 -6.924 -11.290 -5.624 885 H THR 117 H THR 117 -4.759 -11.759 -9.258 886 HA THR 117 HA THR 117 -6.587 -14.020 -9.635 887 HB THR 117 HB THR 117 -7.213 -12.624 -11.456 888 HG1 THR 117 HG1 THR 117 -7.004 -14.217 -12.830 889 HG21 THR 117 1HG2 THR 117 -5.161 -12.066 -13.094 890 HG22 THR 117 2HG2 THR 117 -4.318 -12.011 -11.545 891 HG23 THR 117 3HG2 THR 117 -5.707 -10.964 -11.831 892 H ARG 118 H ARG 118 -5.586 -15.877 -10.656 893 HA ARG 118 HA ARG 118 -2.649 -15.860 -10.582 894 HB2 ARG 118 2HB ARG 118 -4.516 -17.485 -8.969 895 HB3 ARG 118 3HB ARG 118 -3.182 -18.367 -9.700 896 HG2 ARG 118 2HG ARG 118 -1.571 -17.099 -8.550 897 HG3 ARG 118 3HG ARG 118 -2.752 -15.870 -8.093 898 HD2 ARG 118 2HD ARG 118 -3.172 -18.680 -7.195 899 HD3 ARG 118 3HD ARG 118 -1.958 -17.698 -6.377 900 HE ARG 118 HE ARG 118 -4.341 -16.233 -6.540 901 HH11 ARG 118 1HH1 ARG 118 -3.039 -19.042 -4.948 902 HH12 ARG 118 2HH1 ARG 118 -4.068 -18.894 -3.562 903 HH21 ARG 118 1HH2 ARG 118 -5.703 -16.029 -4.722 904 HH22 ARG 118 2HH2 ARG 118 -5.583 -17.182 -3.435 905 HA PRO 119 HA PRO 119 -2.760 -18.097 -14.354 906 HB2 PRO 119 2HB PRO 119 -0.690 -19.829 -14.073 907 HB3 PRO 119 3HB PRO 119 -0.463 -18.093 -14.317 908 HG2 PRO 119 2HG PRO 119 -0.372 -19.677 -11.778 909 HG3 PRO 119 3HG PRO 119 0.704 -18.379 -12.326 910 HD2 PRO 119 2HD PRO 119 -1.283 -17.965 -10.533 911 HD3 PRO 119 3HD PRO 119 -0.766 -16.721 -11.689 912 H21 MYR 201 1H2 MYR 1 8.009 11.323 3.423 913 H22 MYR 201 2H2 MYR 1 6.814 12.600 3.306 914 H31 MYR 201 1H3 MYR 1 5.070 11.222 4.105 915 H32 MYR 201 2H3 MYR 1 6.106 10.418 5.286 916 H41 MYR 201 1H4 MYR 1 7.253 9.374 3.030 917 H42 MYR 201 2H4 MYR 1 5.672 9.745 2.336 918 H51 MYR 201 1H5 MYR 1 4.618 8.471 4.368 919 H52 MYR 201 2H5 MYR 1 6.251 7.937 4.773 920 H61 MYR 201 1H6 MYR 1 6.391 6.467 2.957 921 H62 MYR 201 2H6 MYR 1 5.469 7.519 1.879 922 H71 MYR 201 1H7 MYR 1 3.350 6.740 2.686 923 H72 MYR 201 2H7 MYR 1 4.013 6.201 4.232 924 H81 MYR 201 1H8 MYR 1 4.173 4.083 3.381 925 H82 MYR 201 2H8 MYR 1 5.436 4.650 2.287 926 H91 MYR 201 1H9 MYR 1 3.665 5.314 0.588 927 H92 MYR 201 2H9 MYR 1 2.403 4.741 1.677 928 H101 MYR 201 1H10 MYR 1 4.307 2.576 1.462 929 H102 MYR 201 2H10 MYR 1 4.105 3.176 -0.176 930 H111 MYR 201 1H11 MYR 1 1.430 3.050 0.759 931 H112 MYR 201 2H11 MYR 1 2.191 1.722 1.618 932 H121 MYR 201 1H12 MYR 1 3.194 1.228 -0.922 933 H122 MYR 201 2H12 MYR 1 1.666 1.999 -1.349 934 H131 MYR 201 1H13 MYR 1 1.220 -0.395 -1.190 935 H132 MYR 201 2H13 MYR 1 0.442 0.357 0.204 936 H141 MYR 201 1H14 MYR 1 2.718 -0.205 1.510 937 H142 MYR 201 2H14 MYR 1 1.576 -1.527 1.175 938 H143 MYR 201 3H14 MYR 1 3.022 -1.328 0.159 Start of MODEL 14 1 H GLY 2 H GLY 2 3.198 13.506 -2.642 2 HA2 GLY 2 2HA GLY 2 4.316 15.943 -1.428 3 HA3 GLY 2 3HA GLY 2 3.647 15.827 -3.050 4 H ASN 3 H ASN 3 1.927 14.296 -0.483 5 HA ASN 3 HA ASN 3 -0.148 16.365 -0.696 6 HB2 ASN 3 2HB ASN 3 -0.486 13.782 -1.176 7 HB3 ASN 3 3HB ASN 3 -0.671 13.713 0.574 8 HD21 ASN 3 1HD2 ASN 3 -2.795 12.931 -0.639 9 HD22 ASN 3 2HD2 ASN 3 -4.033 14.134 -0.695 10 H GLY 4 H GLY 4 1.994 14.765 1.516 11 HA2 GLY 4 2HA GLY 4 2.655 15.619 3.598 12 HA3 GLY 4 3HA GLY 4 1.247 16.672 3.589 13 H GLN 5 H GLN 5 -0.433 16.131 4.829 14 HA GLN 5 HA GLN 5 -0.306 14.047 6.672 15 HB2 GLN 5 2HB GLN 5 -2.702 15.590 5.672 16 HB3 GLN 5 3HB GLN 5 -2.726 14.523 7.070 17 HG2 GLN 5 2HG GLN 5 -0.583 16.238 7.518 18 HG3 GLN 5 3HG GLN 5 -1.857 17.260 6.856 19 HE21 GLN 5 1HE2 GLN 5 -2.399 18.327 8.688 20 HE22 GLN 5 2HE2 GLN 5 -3.083 17.568 10.081 21 H GLY 6 H GLY 6 -2.575 14.290 3.922 22 HA2 GLY 6 2HA GLY 6 -3.368 12.652 2.505 23 HA3 GLY 6 3HA GLY 6 -2.147 11.568 3.153 24 H ARG 7 H ARG 7 -5.426 12.246 2.997 25 HA ARG 7 HA ARG 7 -6.307 11.274 5.504 26 HB2 ARG 7 2HB ARG 7 -7.501 12.117 3.001 27 HB3 ARG 7 3HB ARG 7 -8.319 10.701 3.649 28 HG2 ARG 7 2HG ARG 7 -8.792 11.833 5.703 29 HG3 ARG 7 3HG ARG 7 -7.801 13.212 5.223 30 HD2 ARG 7 2HD ARG 7 -9.344 13.934 3.647 31 HD3 ARG 7 3HD ARG 7 -10.115 12.353 3.534 32 HE ARG 7 HE ARG 7 -10.504 13.272 6.126 33 HH11 ARG 7 1HH1 ARG 7 -11.386 14.188 2.884 34 HH12 ARG 7 2HH1 ARG 7 -12.872 14.940 3.361 35 HH21 ARG 7 1HH2 ARG 7 -12.459 14.260 6.766 36 HH22 ARG 7 2HH2 ARG 7 -13.481 14.981 5.569 37 H ASP 8 H ASP 8 -6.258 9.698 2.302 38 HA ASP 8 HA ASP 8 -7.060 7.168 3.141 39 HB2 ASP 8 2HB ASP 8 -5.323 8.030 0.827 40 HB3 ASP 8 3HB ASP 8 -5.850 6.366 1.059 41 H TRP 9 H TRP 9 -4.019 8.771 3.472 42 HA TRP 9 HA TRP 9 -2.451 6.411 3.897 43 HB2 TRP 9 2HB TRP 9 -1.319 8.378 3.122 44 HB3 TRP 9 3HB TRP 9 -1.936 9.333 4.468 45 HD1 TRP 9 HD1 TRP 9 -0.014 9.857 6.061 46 HE1 TRP 9 HE1 TRP 9 1.998 8.572 7.022 47 HE3 TRP 9 HE3 TRP 9 -0.621 5.426 3.583 48 HZ2 TRP 9 HZ2 TRP 9 3.173 6.019 6.764 49 HZ3 TRP 9 HZ3 TRP 9 0.991 3.614 3.995 50 HH2 TRP 9 HH2 TRP 9 2.849 3.906 5.554 51 H LYS 10 H LYS 10 -3.223 9.066 6.153 52 HA LYS 10 HA LYS 10 -2.562 7.684 8.480 53 HB2 LYS 10 2HB LYS 10 -3.963 10.158 7.797 54 HB3 LYS 10 3HB LYS 10 -4.553 9.422 9.281 55 HG2 LYS 10 2HG LYS 10 -1.617 9.717 8.901 56 HG3 LYS 10 3HG LYS 10 -2.576 11.142 9.309 57 HD2 LYS 10 2HD LYS 10 -3.234 10.259 11.362 58 HD3 LYS 10 3HD LYS 10 -2.852 8.604 10.881 59 HE2 LYS 10 2HE LYS 10 -1.055 9.026 12.217 60 HE3 LYS 10 3HE LYS 10 -0.414 9.612 10.683 61 HZ1 LYS 10 1HZ LYS 10 -0.535 11.764 11.347 62 HZ2 LYS 10 2HZ LYS 10 -0.321 11.054 12.867 63 HZ3 LYS 10 3HZ LYS 10 -1.868 11.515 12.359 64 H MET 11 H MET 11 -5.590 7.834 6.691 65 HA MET 11 HA MET 11 -7.195 6.540 8.628 66 HB2 MET 11 2HB MET 11 -8.036 7.878 6.676 67 HB3 MET 11 3HB MET 11 -7.595 6.532 5.634 68 HG2 MET 11 2HG MET 11 -9.455 5.431 6.121 69 HG3 MET 11 3HG MET 11 -9.221 5.659 7.852 70 HE1 MET 11 1HE MET 11 -9.086 8.657 8.198 71 HE2 MET 11 2HE MET 11 -10.735 9.276 8.313 72 HE3 MET 11 3HE MET 11 -10.266 7.839 9.223 73 H ALA 12 H ALA 12 -5.412 5.339 5.805 74 HA ALA 12 HA ALA 12 -6.213 2.679 5.886 75 HB1 ALA 12 1HB ALA 12 -4.066 2.194 4.729 76 HB2 ALA 12 2HB ALA 12 -4.976 3.526 4.014 77 HB3 ALA 12 3HB ALA 12 -3.575 3.861 5.032 78 H ILE 13 H ILE 13 -3.534 4.273 7.581 79 HA ILE 13 HA ILE 13 -2.572 1.908 8.828 80 HB ILE 13 HB ILE 13 -2.186 4.792 9.638 81 HG12 ILE 13 2HG1 ILE 13 -1.377 4.242 7.360 82 HG13 ILE 13 3HG1 ILE 13 -0.063 4.644 8.460 83 HG21 ILE 13 1HG2 ILE 13 -1.220 2.244 10.757 84 HG22 ILE 13 2HG2 ILE 13 -0.003 3.503 10.552 85 HG23 ILE 13 3HG2 ILE 13 -1.438 3.816 11.527 86 HD11 ILE 13 1HD1 ILE 13 0.460 2.743 7.005 87 HD12 ILE 13 2HD1 ILE 13 0.478 2.305 8.714 88 HD13 ILE 13 3HD1 ILE 13 -0.893 1.853 7.702 89 H LYS 14 H LYS 14 -4.897 4.382 9.737 90 HA LYS 14 HA LYS 14 -5.184 3.597 12.447 91 HB2 LYS 14 2HB LYS 14 -5.985 5.751 11.105 92 HB3 LYS 14 3HB LYS 14 -7.472 4.821 10.981 93 HG2 LYS 14 2HG LYS 14 -7.996 5.140 13.132 94 HG3 LYS 14 3HG LYS 14 -6.332 4.911 13.676 95 HD2 LYS 14 2HD LYS 14 -5.893 7.229 12.664 96 HD3 LYS 14 3HD LYS 14 -7.649 7.405 12.643 97 HE2 LYS 14 2HE LYS 14 -7.326 8.238 14.712 98 HE3 LYS 14 3HE LYS 14 -7.281 6.536 15.169 99 HZ1 LYS 14 1HZ LYS 14 -5.418 7.806 16.086 100 HZ2 LYS 14 2HZ LYS 14 -4.897 8.186 14.522 101 HZ3 LYS 14 3HZ LYS 14 -4.888 6.577 15.050 102 H ARG 15 H ARG 15 -6.984 2.794 9.497 103 HA ARG 15 HA ARG 15 -8.928 1.178 10.760 104 HB2 ARG 15 2HB ARG 15 -7.915 1.241 7.915 105 HB3 ARG 15 3HB ARG 15 -9.267 0.247 8.441 106 HG2 ARG 15 2HG ARG 15 -9.946 2.736 9.378 107 HG3 ARG 15 3HG ARG 15 -9.159 3.089 7.838 108 HD2 ARG 15 2HD ARG 15 -11.171 2.663 6.947 109 HD3 ARG 15 3HD ARG 15 -10.731 0.970 7.173 110 HE ARG 15 HE ARG 15 -12.309 0.817 8.823 111 HH11 ARG 15 1HH1 ARG 15 -11.674 4.175 8.159 112 HH12 ARG 15 2HH1 ARG 15 -12.970 4.751 9.155 113 HH21 ARG 15 1HH2 ARG 15 -14.017 1.564 10.137 114 HH22 ARG 15 2HH2 ARG 15 -14.302 3.266 10.280 115 H CYS 16 H CYS 16 -5.951 0.325 9.000 116 HA CYS 16 HA CYS 16 -6.155 -2.454 9.478 117 HB2 CYS 16 2HB CYS 16 -3.882 -0.654 8.669 118 HB3 CYS 16 3HB CYS 16 -3.633 -2.373 8.943 119 HG CYS 16 HG CYS 16 -3.844 -1.790 6.173 120 H SER 17 H SER 17 -5.118 0.173 11.429 121 HA SER 17 HA SER 17 -3.312 -1.126 13.141 122 HB2 SER 17 2HB SER 17 -4.772 1.393 13.096 123 HB3 SER 17 3HB SER 17 -4.620 0.747 14.730 124 HG SER 17 HG SER 17 -2.801 1.942 14.340 125 H ASN 18 H ASN 18 -6.685 -1.461 12.778 126 HA ASN 18 HA ASN 18 -6.791 -3.077 15.233 127 HB2 ASN 18 2HB ASN 18 -8.105 -0.718 15.030 128 HB3 ASN 18 3HB ASN 18 -9.319 -1.807 14.365 129 HD21 ASN 18 1HD2 ASN 18 -7.489 -0.921 17.175 130 HD22 ASN 18 2HD2 ASN 18 -8.419 -1.825 18.316 131 H VAL 19 H VAL 19 -6.227 -3.940 12.565 132 HA VAL 19 HA VAL 19 -8.681 -5.393 11.844 133 HB VAL 19 HB VAL 19 -7.566 -4.023 10.065 134 HG11 VAL 19 1HG1 VAL 19 -5.429 -4.316 9.434 135 HG12 VAL 19 2HG1 VAL 19 -5.243 -5.047 11.029 136 HG13 VAL 19 3HG1 VAL 19 -5.508 -6.068 9.614 137 HG21 VAL 19 1HG2 VAL 19 -8.791 -6.463 9.903 138 HG22 VAL 19 2HG2 VAL 19 -8.400 -5.426 8.531 139 HG23 VAL 19 3HG2 VAL 19 -7.305 -6.730 8.992 140 H ALA 20 H ALA 20 -8.768 -7.575 11.912 141 HA ALA 20 HA ALA 20 -6.690 -8.960 13.345 142 HB1 ALA 20 1HB ALA 20 -8.919 -9.543 13.909 143 HB2 ALA 20 2HB ALA 20 -9.338 -9.849 12.222 144 HB3 ALA 20 3HB ALA 20 -8.230 -10.931 13.066 145 H VAL 21 H VAL 21 -4.894 -9.507 12.281 146 HA VAL 21 HA VAL 21 -4.607 -9.845 9.534 147 HB VAL 21 HB VAL 21 -2.930 -11.236 11.622 148 HG11 VAL 21 1HG1 VAL 21 -1.182 -10.572 9.763 149 HG12 VAL 21 2HG1 VAL 21 -2.145 -12.044 9.628 150 HG13 VAL 21 3HG1 VAL 21 -2.613 -10.598 8.732 151 HG21 VAL 21 1HG2 VAL 21 -2.530 -9.185 12.426 152 HG22 VAL 21 2HG2 VAL 21 -1.588 -8.942 10.955 153 HG23 VAL 21 3HG2 VAL 21 -3.263 -8.394 11.029 154 H GLY 22 H GLY 22 -5.787 -12.038 11.945 155 HA2 GLY 22 2HA GLY 22 -6.100 -14.086 9.846 156 HA3 GLY 22 3HA GLY 22 -5.546 -14.524 11.455 157 H VAL 23 H VAL 23 -8.080 -14.924 9.653 158 HA VAL 23 HA VAL 23 -10.297 -13.833 10.933 159 HB VAL 23 HB VAL 23 -11.563 -15.791 10.047 160 HG11 VAL 23 1HG1 VAL 23 -10.114 -13.799 8.604 161 HG12 VAL 23 2HG1 VAL 23 -10.215 -15.263 7.624 162 HG13 VAL 23 3HG1 VAL 23 -11.686 -14.509 8.239 163 HG21 VAL 23 1HG2 VAL 23 -9.869 -17.505 10.316 164 HG22 VAL 23 2HG2 VAL 23 -10.363 -17.405 8.626 165 HG23 VAL 23 3HG2 VAL 23 -8.832 -16.697 9.141 166 H GLY 24 H GLY 24 -11.388 -14.272 12.763 167 HA2 GLY 24 2HA GLY 24 -12.065 -15.395 14.671 168 HA3 GLY 24 3HA GLY 24 -11.152 -16.795 14.126 169 H GLY 25 H GLY 25 -9.931 -13.518 14.659 170 HA2 GLY 25 2HA GLY 25 -8.513 -14.456 17.053 171 HA3 GLY 25 3HA GLY 25 -7.570 -13.814 15.717 172 H LYS 26 H LYS 26 -8.296 -12.961 18.608 173 HA LYS 26 HA LYS 26 -8.922 -10.166 17.910 174 HB2 LYS 26 2HB LYS 26 -9.873 -11.851 20.206 175 HB3 LYS 26 3HB LYS 26 -9.790 -10.101 20.362 176 HG2 LYS 26 2HG LYS 26 -11.198 -11.255 18.010 177 HG3 LYS 26 3HG LYS 26 -11.991 -11.300 19.587 178 HD2 LYS 26 2HD LYS 26 -11.042 -8.726 19.460 179 HD3 LYS 26 3HD LYS 26 -11.510 -9.049 17.788 180 HE2 LYS 26 2HE LYS 26 -13.732 -9.391 18.343 181 HE3 LYS 26 3HE LYS 26 -13.361 -9.763 20.025 182 HZ1 LYS 26 1HZ LYS 26 -12.744 -7.074 19.055 183 HZ2 LYS 26 2HZ LYS 26 -13.260 -7.578 20.585 184 HZ3 LYS 26 3HZ LYS 26 -14.371 -7.458 19.314 185 H SER 27 H SER 27 -6.351 -10.810 17.784 186 HA SER 27 HA SER 27 -5.184 -9.246 19.882 187 HB2 SER 27 2HB SER 27 -5.266 -12.052 20.264 188 HB3 SER 27 3HB SER 27 -3.600 -11.640 19.857 189 HG SER 27 HG SER 27 -5.072 -11.038 22.104 190 H LYS 28 H LYS 28 -4.356 -11.657 17.391 191 HA LYS 28 HA LYS 28 -1.964 -10.273 16.633 192 HB2 LYS 28 2HB LYS 28 -2.270 -12.743 16.427 193 HB3 LYS 28 3HB LYS 28 -3.437 -12.453 15.143 194 HG2 LYS 28 2HG LYS 28 -1.773 -12.479 13.688 195 HG3 LYS 28 3HG LYS 28 -1.134 -11.015 14.438 196 HD2 LYS 28 2HD LYS 28 -0.549 -13.654 15.697 197 HD3 LYS 28 3HD LYS 28 0.334 -13.189 14.241 198 HE2 LYS 28 2HE LYS 28 1.638 -11.815 15.404 199 HE3 LYS 28 3HE LYS 28 0.238 -10.993 16.090 200 HZ1 LYS 28 1HZ LYS 28 0.992 -11.837 18.003 201 HZ2 LYS 28 2HZ LYS 28 1.931 -13.025 17.248 202 HZ3 LYS 28 3HZ LYS 28 0.276 -13.280 17.489 203 H LYS 29 H LYS 29 -2.790 -8.169 16.166 204 HA LYS 29 HA LYS 29 -4.269 -7.993 13.625 205 HB2 LYS 29 2HB LYS 29 -4.078 -6.002 15.892 206 HB3 LYS 29 3HB LYS 29 -4.890 -5.695 14.362 207 HG2 LYS 29 2HG LYS 29 -6.522 -7.380 14.812 208 HG3 LYS 29 3HG LYS 29 -5.641 -7.922 16.243 209 HD2 LYS 29 2HD LYS 29 -6.755 -5.139 15.938 210 HD3 LYS 29 3HD LYS 29 -7.649 -6.464 16.686 211 HE2 LYS 29 2HE LYS 29 -4.954 -6.192 17.744 212 HE3 LYS 29 3HE LYS 29 -5.914 -4.728 17.958 213 HZ1 LYS 29 1HZ LYS 29 -6.529 -7.459 18.928 214 HZ2 LYS 29 2HZ LYS 29 -7.681 -6.221 18.900 215 HZ3 LYS 29 3HZ LYS 29 -6.288 -6.058 19.847 216 H PHE 30 H PHE 30 -3.742 -5.979 12.346 217 HA PHE 30 HA PHE 30 -0.845 -5.809 12.088 218 HB2 PHE 30 2HB PHE 30 -3.170 -5.323 10.314 219 HB3 PHE 30 3HB PHE 30 -1.759 -4.306 10.041 220 HD1 PHE 30 HD1 PHE 30 -3.287 -7.027 8.797 221 HD2 PHE 30 HD2 PHE 30 0.516 -5.923 10.358 222 HE1 PHE 30 HE1 PHE 30 -2.235 -8.843 7.511 223 HE2 PHE 30 HE2 PHE 30 1.573 -7.735 9.074 224 HZ PHE 30 HZ PHE 30 0.198 -9.198 7.648 225 H GLY 31 H GLY 31 0.055 -3.606 11.465 226 HA2 GLY 31 2HA GLY 31 -1.293 -1.295 12.531 227 HA3 GLY 31 3HA GLY 31 0.023 -1.859 13.549 228 H GLU 32 H GLU 32 0.776 0.386 13.020 229 HA GLU 32 HA GLU 32 1.620 1.101 10.437 230 HB2 GLU 32 2HB GLU 32 1.374 2.722 12.264 231 HB3 GLU 32 3HB GLU 32 2.726 1.982 13.110 232 HG2 GLU 32 2HG GLU 32 4.165 2.565 11.155 233 HG3 GLU 32 3HG GLU 32 2.803 3.471 10.500 234 H GLY 33 H GLY 33 3.525 -0.174 13.175 235 HA2 GLY 33 2HA GLY 33 5.945 -0.427 11.771 236 HA3 GLY 33 3HA GLY 33 5.516 -1.312 13.227 237 H ASN 34 H ASN 34 3.471 -2.895 12.469 238 HA ASN 34 HA ASN 34 4.730 -5.022 11.176 239 HB2 ASN 34 2HB ASN 34 1.744 -4.577 11.376 240 HB3 ASN 34 3HB ASN 34 2.575 -6.119 11.185 241 HD21 ASN 34 1HD2 ASN 34 4.157 -6.635 12.948 242 HD22 ASN 34 2HD2 ASN 34 3.680 -6.254 14.565 243 H PHE 35 H PHE 35 2.306 -2.737 9.927 244 HA PHE 35 HA PHE 35 1.995 -3.750 7.379 245 HB2 PHE 35 2HB PHE 35 0.573 -1.974 8.093 246 HB3 PHE 35 3HB PHE 35 1.942 -0.902 8.372 247 HD1 PHE 35 HD1 PHE 35 1.910 0.859 6.911 248 HD2 PHE 35 HD2 PHE 35 0.865 -3.015 5.489 249 HE1 PHE 35 HE1 PHE 35 1.666 1.763 4.636 250 HE2 PHE 35 HE2 PHE 35 0.621 -2.116 3.212 251 HZ PHE 35 HZ PHE 35 1.022 0.276 2.783 252 H ARG 36 H ARG 36 4.476 -1.524 8.577 253 HA ARG 36 HA ARG 36 5.728 -0.996 6.127 254 HB2 ARG 36 2HB ARG 36 6.980 -1.111 8.879 255 HB3 ARG 36 3HB ARG 36 7.669 -0.322 7.466 256 HG2 ARG 36 2HG ARG 36 4.964 0.567 8.134 257 HG3 ARG 36 3HG ARG 36 6.175 0.907 9.372 258 HD2 ARG 36 2HD ARG 36 7.600 1.912 7.575 259 HD3 ARG 36 3HD ARG 36 6.235 1.729 6.474 260 HE ARG 36 HE ARG 36 5.288 3.575 7.423 261 HH11 ARG 36 1HH1 ARG 36 7.698 2.311 9.595 262 HH12 ARG 36 2HH1 ARG 36 7.572 3.631 10.712 263 HH21 ARG 36 1HH2 ARG 36 5.113 5.317 8.886 264 HH22 ARG 36 2HH2 ARG 36 6.100 5.339 10.307 265 H TRP 37 H TRP 37 6.420 -3.478 8.577 266 HA TRP 37 HA TRP 37 8.642 -4.639 7.383 267 HB2 TRP 37 2HB TRP 37 8.079 -5.296 9.598 268 HB3 TRP 37 3HB TRP 37 6.469 -5.817 9.111 269 HD1 TRP 37 HD1 TRP 37 10.024 -7.033 9.414 270 HE1 TRP 37 HE1 TRP 37 10.135 -9.523 8.772 271 HE3 TRP 37 HE3 TRP 37 5.324 -7.583 7.479 272 HZ2 TRP 37 HZ2 TRP 37 8.454 -11.464 7.600 273 HZ3 TRP 37 HZ3 TRP 37 4.654 -9.788 6.618 274 HH2 TRP 37 HH2 TRP 37 6.188 -11.687 6.678 275 H ALA 38 H ALA 38 5.225 -5.075 6.701 276 HA ALA 38 HA ALA 38 5.570 -7.318 4.965 277 HB1 ALA 38 1HB ALA 38 3.331 -5.530 5.726 278 HB2 ALA 38 2HB ALA 38 3.188 -6.414 4.206 279 HB3 ALA 38 3HB ALA 38 3.424 -7.291 5.717 280 H ILE 39 H ILE 39 4.515 -3.988 4.222 281 HA ILE 39 HA ILE 39 4.765 -4.117 1.477 282 HB ILE 39 HB ILE 39 3.705 -2.227 2.575 283 HG12 ILE 39 2HG1 ILE 39 6.115 -1.310 0.992 284 HG13 ILE 39 3HG1 ILE 39 4.641 -1.960 0.284 285 HG21 ILE 39 1HG2 ILE 39 4.824 -0.629 3.872 286 HG22 ILE 39 2HG2 ILE 39 5.450 -2.177 4.437 287 HG23 ILE 39 3HG2 ILE 39 6.413 -1.183 3.343 288 HD11 ILE 39 1HD1 ILE 39 3.961 0.149 0.159 289 HD12 ILE 39 2HD1 ILE 39 3.720 0.059 1.905 290 HD13 ILE 39 3HD1 ILE 39 5.226 0.708 1.254 291 H ARG 40 H ARG 40 7.238 -3.415 3.894 292 HA ARG 40 HA ARG 40 9.276 -2.640 2.108 293 HB2 ARG 40 2HB ARG 40 9.366 -2.197 4.526 294 HB3 ARG 40 3HB ARG 40 9.517 -3.921 4.836 295 HG2 ARG 40 2HG ARG 40 11.674 -4.005 3.883 296 HG3 ARG 40 3HG ARG 40 11.501 -2.398 3.176 297 HD2 ARG 40 2HD ARG 40 11.255 -2.674 6.126 298 HD3 ARG 40 3HD ARG 40 12.861 -2.801 5.410 299 HE ARG 40 HE ARG 40 11.868 -0.542 4.303 300 HH11 ARG 40 1HH1 ARG 40 12.160 -1.671 7.584 301 HH12 ARG 40 2HH1 ARG 40 12.327 -0.082 8.253 302 HH21 ARG 40 1HH2 ARG 40 12.086 1.556 5.174 303 HH22 ARG 40 2HH2 ARG 40 12.283 1.752 6.882 304 H MET 41 H MET 41 8.762 -5.761 3.763 305 HA MET 41 HA MET 41 10.797 -7.165 2.472 306 HB2 MET 41 2HB MET 41 8.247 -7.990 3.815 307 HB3 MET 41 3HB MET 41 9.232 -9.190 2.989 308 HG2 MET 41 2HG MET 41 10.964 -7.673 4.618 309 HG3 MET 41 3HG MET 41 9.553 -8.085 5.590 310 HE1 MET 41 1HE MET 41 12.738 -10.562 6.188 311 HE2 MET 41 2HE MET 41 12.591 -8.824 5.920 312 HE3 MET 41 3HE MET 41 11.599 -9.614 7.146 313 H ALA 42 H ALA 42 7.387 -6.764 1.593 314 HA ALA 42 HA ALA 42 7.290 -8.486 -0.588 315 HB1 ALA 42 1HB ALA 42 5.750 -6.074 -1.043 316 HB2 ALA 42 2HB ALA 42 5.204 -7.728 -0.768 317 HB3 ALA 42 3HB ALA 42 5.563 -6.679 0.604 318 H ASN 43 H ASN 43 8.323 -5.105 -0.419 319 HA ASN 43 HA ASN 43 8.667 -4.704 -3.183 320 HB2 ASN 43 2HB ASN 43 10.067 -3.379 -0.850 321 HB3 ASN 43 3HB ASN 43 10.109 -2.799 -2.512 322 HD21 ASN 43 1HD2 ASN 43 9.209 -1.245 -0.408 323 HD22 ASN 43 2HD2 ASN 43 7.515 -0.963 -0.602 324 H VAL 44 H VAL 44 11.075 -5.464 -0.665 325 HA VAL 44 HA VAL 44 13.274 -5.740 -2.367 326 HB VAL 44 HB VAL 44 12.796 -7.211 0.228 327 HG11 VAL 44 1HG1 VAL 44 15.104 -6.951 -1.588 328 HG12 VAL 44 2HG1 VAL 44 15.447 -6.766 0.132 329 HG13 VAL 44 3HG1 VAL 44 14.683 -8.241 -0.462 330 HG21 VAL 44 1HG2 VAL 44 13.171 -4.418 -0.321 331 HG22 VAL 44 2HG2 VAL 44 12.881 -5.223 1.221 332 HG23 VAL 44 3HG2 VAL 44 14.528 -5.041 0.618 333 H SER 45 H SER 45 10.957 -8.162 -1.202 334 HA SER 45 HA SER 45 12.127 -10.440 -2.271 335 HB2 SER 45 2HB SER 45 10.209 -10.511 -0.739 336 HB3 SER 45 3HB SER 45 9.174 -9.828 -1.992 337 HG SER 45 HG SER 45 10.574 -12.289 -2.201 338 H THR 46 H THR 46 10.417 -7.872 -3.844 339 HA THR 46 HA THR 46 10.229 -9.392 -6.341 340 HB THR 46 HB THR 46 9.161 -7.065 -7.057 341 HG1 THR 46 HG1 THR 46 7.998 -6.255 -5.167 342 HG21 THR 46 1HG2 THR 46 7.811 -9.178 -5.377 343 HG22 THR 46 2HG2 THR 46 7.947 -9.140 -7.135 344 HG23 THR 46 3HG2 THR 46 6.952 -7.947 -6.301 345 H GLY 47 H GLY 47 12.098 -6.941 -4.799 346 HA2 GLY 47 2HA GLY 47 14.145 -6.086 -5.495 347 HA3 GLY 47 3HA GLY 47 13.908 -6.865 -7.052 348 H ARG 48 H ARG 48 11.478 -4.784 -5.668 349 HA ARG 48 HA ARG 48 11.771 -2.983 -7.935 350 HB2 ARG 48 2HB ARG 48 9.673 -3.170 -5.769 351 HB3 ARG 48 3HB ARG 48 9.642 -1.995 -7.076 352 HG2 ARG 48 2HG ARG 48 9.957 -4.445 -8.346 353 HG3 ARG 48 3HG ARG 48 8.794 -4.749 -7.054 354 HD2 ARG 48 2HD ARG 48 7.672 -4.073 -9.114 355 HD3 ARG 48 3HD ARG 48 7.427 -2.887 -7.834 356 HE ARG 48 HE ARG 48 9.648 -2.098 -9.328 357 HH11 ARG 48 1HH1 ARG 48 6.212 -2.490 -9.722 358 HH12 ARG 48 2HH1 ARG 48 6.077 -1.250 -10.924 359 HH21 ARG 48 1HH2 ARG 48 9.484 -0.463 -10.909 360 HH22 ARG 48 2HH2 ARG 48 7.939 -0.098 -11.600 361 H GLU 49 H GLU 49 13.933 -2.714 -6.336 362 HA GLU 49 HA GLU 49 15.209 -1.157 -5.277 363 HB2 GLU 49 2HB GLU 49 13.080 0.378 -6.565 364 HB3 GLU 49 3HB GLU 49 13.747 1.182 -5.152 365 HG2 GLU 49 2HG GLU 49 15.059 1.981 -6.872 366 HG3 GLU 49 3HG GLU 49 16.037 0.672 -6.208 367 HA PRO 50 HA PRO 50 14.037 -1.052 -1.052 368 HB2 PRO 50 2HB PRO 50 15.372 1.122 -0.126 369 HB3 PRO 50 3HB PRO 50 16.182 -0.384 -0.570 370 HG2 PRO 50 2HG PRO 50 15.886 2.145 -2.145 371 HG3 PRO 50 3HG PRO 50 17.311 1.107 -1.951 372 HD2 PRO 50 2HD PRO 50 15.736 1.022 -4.152 373 HD3 PRO 50 3HD PRO 50 16.576 -0.410 -3.524 374 H GLY 51 H GLY 51 13.957 2.230 -2.460 375 HA2 GLY 51 2HA GLY 51 11.818 3.009 -0.658 376 HA3 GLY 51 3HA GLY 51 12.595 4.028 -1.861 377 H ASP 52 H ASP 52 10.436 1.210 -1.618 378 HA ASP 52 HA ASP 52 9.042 2.196 -4.019 379 HB2 ASP 52 2HB ASP 52 10.188 -0.163 -3.931 380 HB3 ASP 52 3HB ASP 52 8.746 -0.614 -3.026 381 H ILE 53 H ILE 53 7.934 3.650 -2.467 382 HA ILE 53 HA ILE 53 5.732 2.256 -1.090 383 HB ILE 53 HB ILE 53 6.760 5.009 -0.413 384 HG12 ILE 53 2HG1 ILE 53 7.371 2.367 0.932 385 HG13 ILE 53 3HG1 ILE 53 8.513 3.347 0.019 386 HG21 ILE 53 1HG2 ILE 53 5.429 4.798 1.573 387 HG22 ILE 53 2HG2 ILE 53 4.409 4.459 0.176 388 HG23 ILE 53 3HG2 ILE 53 5.012 3.133 1.169 389 HD11 ILE 53 1HD1 ILE 53 8.955 3.757 2.289 390 HD12 ILE 53 2HD1 ILE 53 8.083 5.176 1.705 391 HD13 ILE 53 3HD1 ILE 53 7.245 3.958 2.666 392 HA PRO 54 HA PRO 54 3.897 4.697 -4.578 393 HB2 PRO 54 2HB PRO 54 2.148 2.755 -5.315 394 HB3 PRO 54 3HB PRO 54 3.809 2.830 -5.915 395 HG2 PRO 54 2HG PRO 54 2.664 1.150 -3.719 396 HG3 PRO 54 3HG PRO 54 3.808 0.695 -4.995 397 HD2 PRO 54 2HD PRO 54 4.595 1.254 -2.466 398 HD3 PRO 54 3HD PRO 54 5.608 1.606 -3.881 399 H GLU 55 H GLU 55 1.302 4.633 -5.033 400 HA GLU 55 HA GLU 55 -0.266 4.410 -2.628 401 HB2 GLU 55 2HB GLU 55 1.068 6.729 -2.763 402 HB3 GLU 55 3HB GLU 55 -0.318 7.159 -3.754 403 HG2 GLU 55 2HG GLU 55 -0.661 5.937 -1.043 404 HG3 GLU 55 3HG GLU 55 -0.408 7.669 -1.251 405 H THR 56 H THR 56 -0.650 3.051 -4.898 406 HA THR 56 HA THR 56 -3.174 4.151 -5.869 407 HB THR 56 HB THR 56 -2.704 3.852 -8.177 408 HG1 THR 56 HG1 THR 56 -0.875 2.835 -8.923 409 HG21 THR 56 1HG2 THR 56 -0.804 5.365 -8.568 410 HG22 THR 56 2HG2 THR 56 -0.307 5.165 -6.887 411 HG23 THR 56 3HG2 THR 56 -1.843 5.945 -7.267 412 H LEU 57 H LEU 57 -4.693 2.619 -6.377 413 HA LEU 57 HA LEU 57 -4.516 0.099 -5.209 414 HB2 LEU 57 2HB LEU 57 -6.582 1.423 -5.920 415 HB3 LEU 57 3HB LEU 57 -6.327 0.728 -7.520 416 HG LEU 57 HG LEU 57 -6.474 -1.546 -6.381 417 HD11 LEU 57 1HD1 LEU 57 -6.202 -0.424 -4.077 418 HD12 LEU 57 2HD1 LEU 57 -7.362 -1.741 -4.245 419 HD13 LEU 57 3HD1 LEU 57 -7.924 -0.070 -4.216 420 HD21 LEU 57 1HD2 LEU 57 -8.955 0.163 -6.293 421 HD22 LEU 57 2HD2 LEU 57 -8.861 -1.583 -6.533 422 HD23 LEU 57 3HD2 LEU 57 -8.250 -0.488 -7.774 423 H ASP 58 H ASP 58 -3.530 1.193 -8.342 424 HA ASP 58 HA ASP 58 -3.409 -1.387 -9.571 425 HB2 ASP 58 2HB ASP 58 -2.824 1.369 -10.317 426 HB3 ASP 58 3HB ASP 58 -1.631 0.239 -10.951 427 H GLN 59 H GLN 59 -1.024 0.773 -8.075 428 HA GLN 59 HA GLN 59 1.239 -0.815 -8.554 429 HB2 GLN 59 2HB GLN 59 0.555 1.475 -6.844 430 HB3 GLN 59 3HB GLN 59 1.839 0.457 -6.205 431 HG2 GLN 59 2HG GLN 59 3.182 1.722 -7.454 432 HG3 GLN 59 3HG GLN 59 2.612 0.728 -8.793 433 HE21 GLN 59 1HE2 GLN 59 1.914 3.695 -7.009 434 HE22 GLN 59 2HE2 GLN 59 1.263 4.562 -8.355 435 H LEU 60 H LEU 60 -1.067 -0.778 -5.878 436 HA LEU 60 HA LEU 60 0.304 -2.623 -4.237 437 HB2 LEU 60 2HB LEU 60 -2.472 -1.562 -4.385 438 HB3 LEU 60 3HB LEU 60 -2.173 -2.994 -3.402 439 HG LEU 60 HG LEU 60 -2.169 -0.879 -2.112 440 HD11 LEU 60 1HD1 LEU 60 0.593 -2.038 -2.076 441 HD12 LEU 60 2HD1 LEU 60 -0.803 -2.987 -1.567 442 HD13 LEU 60 3HD1 LEU 60 -0.402 -1.489 -0.728 443 HD21 LEU 60 1HD2 LEU 60 -0.167 0.581 -2.333 444 HD22 LEU 60 2HD2 LEU 60 -1.253 0.644 -3.720 445 HD23 LEU 60 3HD2 LEU 60 0.246 -0.282 -3.814 446 H ARG 61 H ARG 61 -2.418 -3.055 -6.491 447 HA ARG 61 HA ARG 61 -2.795 -5.780 -6.181 448 HB2 ARG 61 2HB ARG 61 -4.371 -4.514 -7.455 449 HB3 ARG 61 3HB ARG 61 -3.135 -4.017 -8.604 450 HG2 ARG 61 2HG ARG 61 -3.350 -6.896 -8.450 451 HG3 ARG 61 3HG ARG 61 -4.890 -6.140 -8.865 452 HD2 ARG 61 2HD ARG 61 -4.057 -6.221 -10.959 453 HD3 ARG 61 3HD ARG 61 -3.233 -4.744 -10.462 454 HE ARG 61 HE ARG 61 -1.624 -6.919 -9.765 455 HH11 ARG 61 1HH1 ARG 61 -2.828 -5.330 -12.618 456 HH12 ARG 61 2HH1 ARG 61 -1.468 -5.772 -13.597 457 HH21 ARG 61 1HH2 ARG 61 0.172 -7.507 -11.042 458 HH22 ARG 61 2HH2 ARG 61 0.237 -7.010 -12.700 459 H LEU 62 H LEU 62 -0.425 -4.055 -8.126 460 HA LEU 62 HA LEU 62 0.540 -6.312 -9.545 461 HB2 LEU 62 2HB LEU 62 0.863 -3.885 -10.144 462 HB3 LEU 62 3HB LEU 62 2.085 -3.817 -8.876 463 HG LEU 62 HG LEU 62 2.663 -5.993 -10.651 464 HD11 LEU 62 1HD1 LEU 62 3.206 -4.534 -12.637 465 HD12 LEU 62 2HD1 LEU 62 2.129 -3.327 -11.935 466 HD13 LEU 62 3HD1 LEU 62 1.499 -4.908 -12.397 467 HD21 LEU 62 1HD2 LEU 62 4.793 -4.882 -10.817 468 HD22 LEU 62 2HD2 LEU 62 4.229 -4.803 -9.148 469 HD23 LEU 62 3HD2 LEU 62 4.104 -3.384 -10.189 470 H VAL 63 H VAL 63 1.589 -4.691 -6.575 471 HA VAL 63 HA VAL 63 3.916 -6.143 -6.089 472 HB VAL 63 HB VAL 63 1.988 -5.092 -4.013 473 HG11 VAL 63 1HG1 VAL 63 3.544 -6.541 -2.962 474 HG12 VAL 63 2HG1 VAL 63 4.891 -5.879 -3.891 475 HG13 VAL 63 3HG1 VAL 63 4.102 -4.896 -2.658 476 HG21 VAL 63 1HG2 VAL 63 3.560 -3.712 -5.953 477 HG22 VAL 63 2HG2 VAL 63 2.526 -3.045 -4.690 478 HG23 VAL 63 3HG2 VAL 63 4.221 -3.392 -4.350 479 H ILE 64 H ILE 64 0.557 -6.894 -5.301 480 HA ILE 64 HA ILE 64 1.072 -9.177 -3.723 481 HB ILE 64 HB ILE 64 -1.381 -8.590 -5.387 482 HG12 ILE 64 2HG1 ILE 64 -0.865 -6.763 -3.831 483 HG13 ILE 64 3HG1 ILE 64 -2.309 -7.633 -3.326 484 HG21 ILE 64 1HG2 ILE 64 -1.877 -10.020 -2.957 485 HG22 ILE 64 2HG2 ILE 64 -2.235 -10.488 -4.618 486 HG23 ILE 64 3HG2 ILE 64 -0.665 -10.873 -3.912 487 HD11 ILE 64 1HD1 ILE 64 -1.087 -8.771 -1.608 488 HD12 ILE 64 2HD1 ILE 64 0.433 -8.080 -2.177 489 HD13 ILE 64 3HD1 ILE 64 -0.799 -7.038 -1.467 490 H CYS 65 H CYS 65 0.016 -8.937 -7.124 491 HA CYS 65 HA CYS 65 0.135 -11.640 -7.743 492 HB2 CYS 65 2HB CYS 65 -0.305 -9.240 -9.143 493 HB3 CYS 65 3HB CYS 65 1.006 -10.051 -9.990 494 HG CYS 65 HG CYS 65 -0.448 -11.771 -11.223 495 H ASP 66 H ASP 66 2.675 -9.176 -7.972 496 HA ASP 66 HA ASP 66 4.655 -10.781 -9.130 497 HB2 ASP 66 2HB ASP 66 4.959 -8.438 -7.238 498 HB3 ASP 66 3HB ASP 66 6.257 -9.128 -8.209 499 H LEU 67 H LEU 67 3.932 -10.131 -5.714 500 HA LEU 67 HA LEU 67 6.031 -11.698 -4.662 501 HB2 LEU 67 2HB LEU 67 3.698 -10.281 -3.658 502 HB3 LEU 67 3HB LEU 67 4.035 -11.757 -2.757 503 HG LEU 67 HG LEU 67 5.069 -9.861 -1.672 504 HD11 LEU 67 1HD1 LEU 67 7.428 -11.163 -2.906 505 HD12 LEU 67 2HD1 LEU 67 6.255 -12.200 -2.095 506 HD13 LEU 67 3HD1 LEU 67 7.037 -10.893 -1.207 507 HD21 LEU 67 1HD2 LEU 67 7.145 -9.193 -3.486 508 HD22 LEU 67 2HD2 LEU 67 5.877 -8.155 -2.834 509 HD23 LEU 67 3HD2 LEU 67 5.606 -9.039 -4.336 510 H GLN 68 H GLN 68 2.640 -12.420 -5.378 511 HA GLN 68 HA GLN 68 2.647 -15.043 -4.328 512 HB2 GLN 68 2HB GLN 68 0.724 -13.380 -5.283 513 HB3 GLN 68 3HB GLN 68 0.870 -14.510 -6.623 514 HG2 GLN 68 2HG GLN 68 0.766 -15.886 -4.087 515 HG3 GLN 68 3HG GLN 68 -0.631 -14.836 -4.317 516 HE21 GLN 68 1HE2 GLN 68 -0.124 -17.837 -4.401 517 HE22 GLN 68 2HE2 GLN 68 -0.895 -18.341 -5.862 518 H GLU 69 H GLU 69 3.403 -13.730 -7.508 519 HA GLU 69 HA GLU 69 3.542 -16.149 -8.922 520 HB2 GLU 69 2HB GLU 69 3.501 -14.010 -10.069 521 HB3 GLU 69 3HB GLU 69 5.041 -13.561 -9.351 522 HG2 GLU 69 2HG GLU 69 6.112 -15.426 -10.558 523 HG3 GLU 69 3HG GLU 69 4.567 -15.778 -11.330 524 H ARG 70 H ARG 70 6.104 -14.292 -7.293 525 HA ARG 70 HA ARG 70 8.169 -16.144 -7.851 526 HB2 ARG 70 2HB ARG 70 8.068 -13.613 -6.819 527 HB3 ARG 70 3HB ARG 70 8.458 -14.560 -5.390 528 HG2 ARG 70 2HG ARG 70 10.562 -14.179 -6.111 529 HG3 ARG 70 3HG ARG 70 10.229 -15.619 -7.075 530 HD2 ARG 70 2HD ARG 70 9.254 -13.320 -8.459 531 HD3 ARG 70 3HD ARG 70 10.924 -13.031 -7.971 532 HE ARG 70 HE ARG 70 10.657 -15.600 -9.127 533 HH11 ARG 70 1HH1 ARG 70 10.745 -12.219 -9.948 534 HH12 ARG 70 2HH1 ARG 70 11.360 -12.488 -11.545 535 HH21 ARG 70 1HH2 ARG 70 11.467 -15.969 -11.228 536 HH22 ARG 70 2HH2 ARG 70 11.768 -14.622 -12.272 537 H ARG 71 H ARG 71 6.134 -15.626 -4.985 538 HA ARG 71 HA ARG 71 7.293 -17.607 -3.372 539 HB2 ARG 71 2HB ARG 71 5.794 -15.860 -2.507 540 HB3 ARG 71 3HB ARG 71 4.445 -16.593 -3.363 541 HG2 ARG 71 2HG ARG 71 5.269 -18.709 -1.939 542 HG3 ARG 71 3HG ARG 71 5.772 -17.405 -0.861 543 HD2 ARG 71 2HD ARG 71 3.651 -17.612 -0.104 544 HD3 ARG 71 3HD ARG 71 3.305 -16.552 -1.469 545 HE ARG 71 HE ARG 71 3.206 -19.347 -2.124 546 HH11 ARG 71 1HH1 ARG 71 1.418 -16.635 -0.874 547 HH12 ARG 71 2HH1 ARG 71 -0.128 -17.290 -1.302 548 HH21 ARG 71 1HH2 ARG 71 1.177 -20.221 -2.693 549 HH22 ARG 71 2HH2 ARG 71 -0.263 -19.330 -2.335 550 H GLU 72 H GLU 72 4.813 -17.762 -5.848 551 HA GLU 72 HA GLU 72 3.885 -20.371 -5.275 552 HB2 GLU 72 2HB GLU 72 2.561 -18.891 -6.647 553 HB3 GLU 72 3HB GLU 72 3.853 -18.763 -7.832 554 HG2 GLU 72 2HG GLU 72 3.549 -20.998 -8.542 555 HG3 GLU 72 3HG GLU 72 2.493 -21.359 -7.178 556 H LYS 73 H LYS 73 6.098 -19.229 -7.830 557 HA LYS 73 HA LYS 73 6.829 -21.680 -8.869 558 HB2 LYS 73 2HB LYS 73 7.445 -19.375 -9.728 559 HB3 LYS 73 3HB LYS 73 8.735 -19.363 -8.533 560 HG2 LYS 73 2HG LYS 73 9.839 -21.181 -9.576 561 HG3 LYS 73 3HG LYS 73 8.452 -21.511 -10.617 562 HD2 LYS 73 2HD LYS 73 8.855 -19.054 -11.426 563 HD3 LYS 73 3HD LYS 73 10.477 -19.320 -10.782 564 HE2 LYS 73 2HE LYS 73 10.899 -21.079 -12.277 565 HE3 LYS 73 3HE LYS 73 9.190 -21.267 -12.671 566 HZ1 LYS 73 1HZ LYS 73 9.367 -19.784 -14.292 567 HZ2 LYS 73 2HZ LYS 73 11.045 -19.822 -14.082 568 HZ3 LYS 73 3HZ LYS 73 10.121 -18.648 -13.288 569 H PHE 74 H PHE 74 8.095 -20.007 -6.035 570 HA PHE 74 HA PHE 74 10.158 -21.951 -5.563 571 HB2 PHE 74 2HB PHE 74 9.521 -19.362 -4.603 572 HB3 PHE 74 3HB PHE 74 9.539 -20.436 -3.208 573 HD1 PHE 74 HD1 PHE 74 11.493 -18.392 -5.253 574 HD2 PHE 74 HD2 PHE 74 11.608 -22.081 -3.134 575 HE1 PHE 74 HE1 PHE 74 13.951 -18.289 -5.212 576 HE2 PHE 74 HE2 PHE 74 14.066 -21.984 -3.090 577 HZ PHE 74 HZ PHE 74 15.241 -20.086 -4.129 578 H GLY 75 H GLY 75 6.840 -21.518 -4.636 579 HA2 GLY 75 2HA GLY 75 5.836 -23.757 -4.006 580 HA3 GLY 75 3HA GLY 75 7.076 -23.786 -2.761 581 H SER 76 H SER 76 6.696 -22.805 -0.852 582 HA SER 76 HA SER 76 4.515 -20.884 -0.624 583 HB2 SER 76 2HB SER 76 3.680 -23.303 -0.241 584 HB3 SER 76 3HB SER 76 4.580 -23.221 1.272 585 HG SER 76 HG SER 76 2.774 -22.362 1.956 586 H SER 77 H SER 77 4.601 -19.602 1.260 587 HA SER 77 HA SER 77 6.708 -19.998 3.188 588 HB2 SER 77 2HB SER 77 8.165 -18.943 1.716 589 HB3 SER 77 3HB SER 77 6.900 -17.917 1.041 590 HG SER 77 HG SER 77 8.614 -17.186 2.797 591 H LYS 78 H LYS 78 6.269 -19.013 5.093 592 HA LYS 78 HA LYS 78 3.676 -17.853 5.434 593 HB2 LYS 78 2HB LYS 78 5.561 -19.122 7.079 594 HB3 LYS 78 3HB LYS 78 5.421 -17.486 7.712 595 HG2 LYS 78 2HG LYS 78 2.931 -17.822 7.738 596 HG3 LYS 78 3HG LYS 78 3.235 -19.521 7.371 597 HD2 LYS 78 2HD LYS 78 4.846 -18.529 9.587 598 HD3 LYS 78 3HD LYS 78 3.111 -18.402 9.887 599 HE2 LYS 78 2HE LYS 78 2.802 -20.665 9.851 600 HE3 LYS 78 3HE LYS 78 4.142 -20.941 8.740 601 HZ1 LYS 78 1HZ LYS 78 5.079 -21.717 10.630 602 HZ2 LYS 78 2HZ LYS 78 4.153 -20.734 11.649 603 HZ3 LYS 78 3HZ LYS 78 5.488 -20.089 10.834 604 H GLU 79 H GLU 79 6.993 -16.624 5.857 605 HA GLU 79 HA GLU 79 6.364 -14.018 6.578 606 HB2 GLU 79 2HB GLU 79 8.612 -13.426 5.662 607 HB3 GLU 79 3HB GLU 79 8.623 -14.799 6.761 608 HG2 GLU 79 2HG GLU 79 8.600 -16.297 4.766 609 HG3 GLU 79 3HG GLU 79 8.806 -14.863 3.760 610 H ILE 80 H ILE 80 6.811 -15.402 3.343 611 HA ILE 80 HA ILE 80 6.429 -12.976 1.935 612 HB ILE 80 HB ILE 80 5.991 -15.804 0.970 613 HG12 ILE 80 2HG1 ILE 80 8.417 -14.038 0.617 614 HG13 ILE 80 3HG1 ILE 80 8.283 -15.266 1.870 615 HG21 ILE 80 1HG2 ILE 80 5.646 -13.218 -0.293 616 HG22 ILE 80 2HG2 ILE 80 6.794 -14.237 -1.160 617 HG23 ILE 80 3HG2 ILE 80 5.159 -14.820 -0.847 618 HD11 ILE 80 1HD1 ILE 80 9.227 -16.632 0.396 619 HD12 ILE 80 2HD1 ILE 80 7.660 -16.650 -0.414 620 HD13 ILE 80 3HD1 ILE 80 8.916 -15.534 -0.949 621 H ASP 81 H ASP 81 4.239 -15.766 2.339 622 HA ASP 81 HA ASP 81 1.989 -14.693 1.152 623 HB2 ASP 81 2HB ASP 81 1.967 -16.997 1.749 624 HB3 ASP 81 3HB ASP 81 2.268 -16.632 3.446 625 H MET 82 H MET 82 3.228 -14.196 4.404 626 HA MET 82 HA MET 82 0.968 -12.887 5.468 627 HB2 MET 82 2HB MET 82 2.928 -13.821 6.762 628 HB3 MET 82 3HB MET 82 3.840 -12.402 6.262 629 HG2 MET 82 2HG MET 82 1.894 -11.068 7.299 630 HG3 MET 82 3HG MET 82 1.497 -12.583 8.106 631 HE1 MET 82 1HE MET 82 1.700 -10.279 9.540 632 HE2 MET 82 2HE MET 82 2.815 -10.532 10.884 633 HE3 MET 82 3HE MET 82 3.228 -9.399 9.596 634 H ALA 83 H ALA 83 4.011 -11.536 4.186 635 HA ALA 83 HA ALA 83 3.412 -8.853 4.379 636 HB1 ALA 83 1HB ALA 83 5.444 -10.363 3.251 637 HB2 ALA 83 2HB ALA 83 4.797 -9.429 1.902 638 HB3 ALA 83 3HB ALA 83 5.370 -8.603 3.350 639 H ILE 84 H ILE 84 2.377 -11.173 1.951 640 HA ILE 84 HA ILE 84 1.330 -9.325 0.091 641 HB ILE 84 HB ILE 84 0.480 -12.180 0.594 642 HG12 ILE 84 2HG1 ILE 84 2.321 -11.189 -1.575 643 HG13 ILE 84 3HG1 ILE 84 2.932 -11.672 0.003 644 HG21 ILE 84 1HG2 ILE 84 -1.191 -10.922 -0.661 645 HG22 ILE 84 2HG2 ILE 84 0.045 -10.408 -1.807 646 HG23 ILE 84 3HG2 ILE 84 -0.392 -12.111 -1.689 647 HD11 ILE 84 1HD1 ILE 84 1.466 -13.830 -0.576 648 HD12 ILE 84 2HD1 ILE 84 1.888 -13.309 -2.208 649 HD13 ILE 84 3HD1 ILE 84 3.159 -13.652 -1.036 650 H VAL 85 H VAL 85 -0.374 -11.358 2.482 651 HA VAL 85 HA VAL 85 -2.918 -10.342 2.153 652 HB VAL 85 HB VAL 85 -1.721 -11.166 4.800 653 HG11 VAL 85 1HG1 VAL 85 -4.276 -10.215 4.123 654 HG12 VAL 85 2HG1 VAL 85 -4.444 -11.954 4.369 655 HG13 VAL 85 3HG1 VAL 85 -3.764 -10.943 5.645 656 HG21 VAL 85 1HG2 VAL 85 -3.097 -13.330 3.833 657 HG22 VAL 85 2HG2 VAL 85 -2.313 -12.697 2.385 658 HG23 VAL 85 3HG2 VAL 85 -1.345 -13.131 3.796 659 H THR 86 H THR 86 -0.191 -8.943 3.815 660 HA THR 86 HA THR 86 -1.618 -6.993 5.301 661 HB THR 86 HB THR 86 1.167 -6.438 4.387 662 HG1 THR 86 HG1 THR 86 0.333 -8.734 5.708 663 HG21 THR 86 1HG2 THR 86 0.306 -4.877 5.934 664 HG22 THR 86 2HG2 THR 86 1.350 -5.937 6.881 665 HG23 THR 86 3HG2 THR 86 -0.399 -6.143 6.939 666 H LEU 87 H LEU 87 0.318 -6.689 2.317 667 HA LEU 87 HA LEU 87 -0.301 -4.031 1.766 668 HB2 LEU 87 2HB LEU 87 0.408 -6.330 -0.037 669 HB3 LEU 87 3HB LEU 87 0.193 -4.686 -0.635 670 HG LEU 87 HG LEU 87 2.164 -5.272 1.546 671 HD11 LEU 87 1HD1 LEU 87 2.382 -5.922 -1.345 672 HD12 LEU 87 2HD1 LEU 87 3.067 -6.744 0.056 673 HD13 LEU 87 3HD1 LEU 87 3.791 -5.247 -0.529 674 HD21 LEU 87 1HD2 LEU 87 2.257 -3.041 1.371 675 HD22 LEU 87 2HD2 LEU 87 1.444 -3.032 -0.194 676 HD23 LEU 87 3HD2 LEU 87 3.177 -3.346 -0.102 677 H LYS 88 H LYS 88 -2.192 -6.897 1.368 678 HA LYS 88 HA LYS 88 -4.030 -5.853 -0.548 679 HB2 LYS 88 2HB LYS 88 -3.604 -8.328 0.827 680 HB3 LYS 88 3HB LYS 88 -5.289 -7.862 1.011 681 HG2 LYS 88 2HG LYS 88 -5.763 -8.346 -1.111 682 HG3 LYS 88 3HG LYS 88 -4.319 -7.528 -1.710 683 HD2 LYS 88 2HD LYS 88 -2.979 -9.441 -1.392 684 HD3 LYS 88 3HD LYS 88 -4.198 -10.223 -0.384 685 HE2 LYS 88 2HE LYS 88 -5.669 -10.443 -2.314 686 HE3 LYS 88 3HE LYS 88 -4.486 -9.614 -3.325 687 HZ1 LYS 88 1HZ LYS 88 -3.589 -11.582 -3.734 688 HZ2 LYS 88 2HZ LYS 88 -4.621 -12.350 -2.636 689 HZ3 LYS 88 3HZ LYS 88 -3.148 -11.708 -2.104 690 H VAL 89 H VAL 89 -4.550 -6.676 2.887 691 HA VAL 89 HA VAL 89 -6.975 -5.411 3.229 692 HB VAL 89 HB VAL 89 -6.069 -6.852 4.947 693 HG11 VAL 89 1HG1 VAL 89 -4.017 -4.686 5.403 694 HG12 VAL 89 2HG1 VAL 89 -4.230 -6.127 6.400 695 HG13 VAL 89 3HG1 VAL 89 -3.713 -6.284 4.720 696 HG21 VAL 89 1HG2 VAL 89 -6.092 -4.484 6.613 697 HG22 VAL 89 2HG2 VAL 89 -7.372 -4.442 5.400 698 HG23 VAL 89 3HG2 VAL 89 -7.257 -5.803 6.515 699 H PHE 90 H PHE 90 -3.753 -4.030 3.229 700 HA PHE 90 HA PHE 90 -4.597 -1.461 4.198 701 HB2 PHE 90 2HB PHE 90 -2.330 -2.137 4.637 702 HB3 PHE 90 3HB PHE 90 -2.026 -2.409 2.923 703 HD1 PHE 90 HD1 PHE 90 -1.743 -0.524 1.396 704 HD2 PHE 90 HD2 PHE 90 -2.270 0.060 5.580 705 HE1 PHE 90 HE1 PHE 90 -0.928 1.786 1.173 706 HE2 PHE 90 HE2 PHE 90 -1.457 2.372 5.363 707 HZ PHE 90 HZ PHE 90 -0.784 3.238 3.158 708 H ALA 91 H ALA 91 -3.981 -2.927 1.061 709 HA ALA 91 HA ALA 91 -4.096 -0.557 -0.475 710 HB1 ALA 91 1HB ALA 91 -4.654 -3.416 -1.250 711 HB2 ALA 91 2HB ALA 91 -4.490 -2.078 -2.387 712 HB3 ALA 91 3HB ALA 91 -3.118 -2.560 -1.389 713 H VAL 92 H VAL 92 -6.563 -3.024 0.238 714 HA VAL 92 HA VAL 92 -8.651 -1.679 -1.141 715 HB VAL 92 HB VAL 92 -8.974 -3.686 1.090 716 HG11 VAL 92 1HG1 VAL 92 -11.136 -3.300 0.714 717 HG12 VAL 92 2HG1 VAL 92 -10.788 -2.331 -0.719 718 HG13 VAL 92 3HG1 VAL 92 -10.912 -4.085 -0.848 719 HG21 VAL 92 1HG2 VAL 92 -9.237 -5.175 -1.120 720 HG22 VAL 92 2HG2 VAL 92 -8.050 -4.008 -1.701 721 HG23 VAL 92 3HG2 VAL 92 -7.703 -4.978 -0.271 722 H ALA 93 H ALA 93 -8.088 -2.131 2.356 723 HA ALA 93 HA ALA 93 -10.096 -0.334 3.179 724 HB1 ALA 93 1HB ALA 93 -8.883 -2.151 4.532 725 HB2 ALA 93 2HB ALA 93 -7.654 -0.917 4.816 726 HB3 ALA 93 3HB ALA 93 -9.314 -0.649 5.350 727 H GLY 94 H GLY 94 -7.032 0.215 1.817 728 HA2 GLY 94 2HA GLY 94 -6.785 2.883 3.002 729 HA3 GLY 94 3HA GLY 94 -5.577 2.073 2.017 730 H LEU 95 H LEU 95 -6.216 1.725 -0.310 731 HA LEU 95 HA LEU 95 -6.790 4.195 -1.508 732 HB2 LEU 95 2HB LEU 95 -6.707 1.387 -2.569 733 HB3 LEU 95 3HB LEU 95 -7.073 2.764 -3.606 734 HG LEU 95 HG LEU 95 -4.772 2.224 -3.894 735 HD11 LEU 95 1HD1 LEU 95 -4.636 4.540 -2.008 736 HD12 LEU 95 2HD1 LEU 95 -5.538 4.668 -3.519 737 HD13 LEU 95 3HD1 LEU 95 -3.814 4.300 -3.550 738 HD21 LEU 95 1HD2 LEU 95 -4.563 0.966 -1.743 739 HD22 LEU 95 2HD2 LEU 95 -4.384 2.515 -0.921 740 HD23 LEU 95 3HD2 LEU 95 -3.192 2.011 -2.119 741 H LEU 96 H LEU 96 -8.801 1.300 -1.090 742 HA LEU 96 HA LEU 96 -11.099 2.617 -2.263 743 HB2 LEU 96 2HB LEU 96 -10.291 -0.060 -1.772 744 HB3 LEU 96 3HB LEU 96 -11.815 0.210 -0.929 745 HG LEU 96 HG LEU 96 -12.239 -0.726 -3.111 746 HD11 LEU 96 1HD1 LEU 96 -13.765 1.016 -2.168 747 HD12 LEU 96 2HD1 LEU 96 -13.822 0.857 -3.924 748 HD13 LEU 96 3HD1 LEU 96 -12.946 2.200 -3.187 749 HD21 LEU 96 1HD2 LEU 96 -11.660 0.641 -5.143 750 HD22 LEU 96 2HD2 LEU 96 -10.296 -0.130 -4.334 751 HD23 LEU 96 3HD2 LEU 96 -10.598 1.593 -4.106 752 H ASN 97 H ASN 97 -9.633 2.829 0.649 753 HA ASN 97 HA ASN 97 -10.256 3.444 2.753 754 HB2 ASN 97 2HB ASN 97 -12.415 4.682 1.053 755 HB3 ASN 97 3HB ASN 97 -12.354 4.928 2.797 756 HD21 ASN 97 1HD2 ASN 97 -10.426 5.901 3.682 757 HD22 ASN 97 2HD2 ASN 97 -9.521 7.016 2.724 758 H MET 98 H MET 98 -11.171 0.829 1.778 759 HA MET 98 HA MET 98 -13.804 0.302 2.645 760 HB2 MET 98 2HB MET 98 -11.492 -1.239 1.753 761 HB3 MET 98 3HB MET 98 -12.427 -2.076 2.984 762 HG2 MET 98 2HG MET 98 -14.243 -0.976 1.109 763 HG3 MET 98 3HG MET 98 -12.970 -1.807 0.219 764 HE1 MET 98 1HE MET 98 -16.300 -2.124 1.736 765 HE2 MET 98 2HE MET 98 -16.036 -2.713 0.095 766 HE3 MET 98 3HE MET 98 -16.565 -3.826 1.358 767 H THR 99 H THR 99 -13.976 -1.595 4.423 768 HA THR 99 HA THR 99 -12.459 -0.807 6.805 769 HB THR 99 HB THR 99 -14.530 0.474 6.927 770 HG1 THR 99 HG1 THR 99 -14.117 -0.047 8.959 771 HG21 THR 99 1HG2 THR 99 -16.469 -1.529 7.384 772 HG22 THR 99 2HG2 THR 99 -15.671 -1.924 5.862 773 HG23 THR 99 3HG2 THR 99 -16.421 -0.343 6.081 774 H VAL 100 H VAL 100 -11.898 -3.064 5.424 775 HA VAL 100 HA VAL 100 -13.286 -5.389 5.944 776 HB VAL 100 HB VAL 100 -11.080 -6.561 5.831 777 HG11 VAL 100 1HG1 VAL 100 -11.893 -6.416 3.722 778 HG12 VAL 100 2HG1 VAL 100 -12.115 -4.668 3.809 779 HG13 VAL 100 3HG1 VAL 100 -10.512 -5.342 3.515 780 HG21 VAL 100 1HG2 VAL 100 -9.225 -5.473 6.380 781 HG22 VAL 100 2HG2 VAL 100 -9.442 -4.422 4.980 782 HG23 VAL 100 3HG2 VAL 100 -10.126 -3.967 6.541 783 H SER 101 H SER 101 -13.049 -7.042 7.525 784 HA SER 101 HA SER 101 -12.485 -5.970 10.188 785 HB2 SER 101 2HB SER 101 -13.732 -8.654 9.667 786 HB3 SER 101 3HB SER 101 -13.939 -7.586 11.055 787 HG SER 101 HG SER 101 -15.591 -6.781 10.062 788 H THR 102 H THR 102 -11.516 -8.509 7.975 789 HA THR 102 HA THR 102 -9.208 -9.058 9.705 790 HB THR 102 HB THR 102 -9.367 -11.414 9.455 791 HG1 THR 102 HG1 THR 102 -11.328 -12.200 8.215 792 HG21 THR 102 1HG2 THR 102 -11.264 -11.908 10.714 793 HG22 THR 102 2HG2 THR 102 -12.243 -10.688 9.900 794 HG23 THR 102 3HG2 THR 102 -10.999 -10.198 11.050 795 H ALA 103 H ALA 103 -7.301 -9.359 8.652 796 HA ALA 103 HA ALA 103 -6.895 -8.339 6.122 797 HB1 ALA 103 1HB ALA 103 -5.140 -10.463 7.330 798 HB2 ALA 103 2HB ALA 103 -4.678 -9.144 6.253 799 HB3 ALA 103 3HB ALA 103 -5.168 -8.798 7.911 800 H ALA 104 H ALA 104 -7.695 -11.616 7.077 801 HA ALA 104 HA ALA 104 -7.099 -12.920 4.658 802 HB1 ALA 104 1HB ALA 104 -9.321 -14.207 5.824 803 HB2 ALA 104 2HB ALA 104 -7.618 -14.653 5.940 804 HB3 ALA 104 3HB ALA 104 -8.332 -13.583 7.145 805 H ALA 105 H ALA 105 -10.162 -11.558 5.858 806 HA ALA 105 HA ALA 105 -11.725 -12.190 3.622 807 HB1 ALA 105 1HB ALA 105 -12.297 -11.172 6.013 808 HB2 ALA 105 2HB ALA 105 -12.317 -9.677 5.077 809 HB3 ALA 105 3HB ALA 105 -13.382 -11.011 4.633 810 H ALA 106 H ALA 106 -9.610 -9.459 4.281 811 HA ALA 106 HA ALA 106 -10.412 -7.782 2.182 812 HB1 ALA 106 1HB ALA 106 -7.578 -7.596 2.681 813 HB2 ALA 106 2HB ALA 106 -8.861 -6.439 3.036 814 HB3 ALA 106 3HB ALA 106 -8.483 -7.717 4.191 815 H GLU 107 H GLU 107 -7.730 -10.129 2.312 816 HA GLU 107 HA GLU 107 -6.902 -9.802 -0.349 817 HB2 GLU 107 2HB GLU 107 -5.433 -10.884 1.193 818 HB3 GLU 107 3HB GLU 107 -6.630 -12.116 1.565 819 HG2 GLU 107 2HG GLU 107 -6.053 -12.091 -1.249 820 HG3 GLU 107 3HG GLU 107 -4.570 -12.253 -0.309 821 H ASN 108 H ASN 108 -9.399 -11.792 1.095 822 HA ASN 108 HA ASN 108 -9.885 -13.530 -1.044 823 HB2 ASN 108 2HB ASN 108 -10.821 -13.692 1.303 824 HB3 ASN 108 3HB ASN 108 -11.990 -12.459 0.838 825 HD21 ASN 108 1HD2 ASN 108 -13.785 -13.058 -0.187 826 HD22 ASN 108 2HD2 ASN 108 -14.115 -14.653 -0.763 827 H MET 109 H MET 109 -11.405 -10.411 -0.250 828 HA MET 109 HA MET 109 -13.109 -10.340 -2.496 829 HB2 MET 109 2HB MET 109 -12.204 -8.429 -0.429 830 HB3 MET 109 3HB MET 109 -12.766 -7.714 -1.935 831 HG2 MET 109 2HG MET 109 -14.827 -7.892 -1.158 832 HG3 MET 109 3HG MET 109 -14.670 -9.641 -1.309 833 HE1 MET 109 1HE MET 109 -15.069 -6.637 0.872 834 HE2 MET 109 2HE MET 109 -16.459 -7.719 0.946 835 HE3 MET 109 3HE MET 109 -15.512 -7.398 2.400 836 H TYR 110 H TYR 110 -9.844 -9.107 -1.943 837 HA TYR 110 HA TYR 110 -9.581 -7.679 -4.351 838 HB2 TYR 110 2HB TYR 110 -8.021 -8.042 -2.129 839 HB3 TYR 110 3HB TYR 110 -7.123 -8.939 -3.348 840 HD1 TYR 110 HD1 TYR 110 -9.041 -5.725 -3.385 841 HD2 TYR 110 HD2 TYR 110 -5.352 -7.704 -4.148 842 HE1 TYR 110 HE1 TYR 110 -8.091 -3.618 -4.227 843 HE2 TYR 110 HE2 TYR 110 -4.392 -5.602 -4.990 844 HH TYR 110 HH TYR 110 -5.115 -3.486 -5.908 845 H SER 111 H SER 111 -8.502 -10.964 -3.496 846 HA SER 111 HA SER 111 -7.542 -11.607 -6.075 847 HB2 SER 111 2HB SER 111 -7.336 -13.853 -5.274 848 HB3 SER 111 3HB SER 111 -6.964 -12.792 -3.913 849 HG SER 111 HG SER 111 -8.571 -13.652 -2.886 850 H GLN 112 H GLN 112 -10.630 -12.246 -4.452 851 HA GLN 112 HA GLN 112 -11.780 -13.753 -6.540 852 HB2 GLN 112 2HB GLN 112 -12.711 -13.845 -4.317 853 HB3 GLN 112 3HB GLN 112 -13.052 -12.120 -4.341 854 HG2 GLN 112 2HG GLN 112 -14.756 -12.397 -5.975 855 HG3 GLN 112 3HG GLN 112 -14.306 -14.080 -6.241 856 HE21 GLN 112 1HE2 GLN 112 -14.813 -15.622 -4.655 857 HE22 GLN 112 2HE2 GLN 112 -16.039 -15.331 -3.474 858 H MET 113 H MET 113 -11.466 -10.328 -5.988 859 HA MET 113 HA MET 113 -13.448 -9.480 -7.838 860 HB2 MET 113 2HB MET 113 -11.225 -8.205 -6.339 861 HB3 MET 113 3HB MET 113 -11.794 -7.366 -7.777 862 HG2 MET 113 2HG MET 113 -13.909 -7.019 -6.896 863 HG3 MET 113 3HG MET 113 -13.728 -8.302 -5.701 864 HE1 MET 113 1HE MET 113 -12.605 -3.923 -5.302 865 HE2 MET 113 2HE MET 113 -12.111 -4.792 -6.755 866 HE3 MET 113 3HE MET 113 -13.821 -4.676 -6.335 867 H GLY 114 H GLY 114 -10.233 -10.663 -8.178 868 HA2 GLY 114 2HA GLY 114 -9.583 -11.466 -10.380 869 HA3 GLY 114 3HA GLY 114 -10.356 -10.042 -11.062 870 H LEU 115 H LEU 115 -8.435 -9.737 -8.193 871 HA LEU 115 HA LEU 115 -6.456 -8.220 -9.741 872 HB2 LEU 115 2HB LEU 115 -7.141 -8.207 -6.807 873 HB3 LEU 115 3HB LEU 115 -5.812 -7.291 -7.514 874 HG LEU 115 HG LEU 115 -8.071 -6.558 -8.986 875 HD11 LEU 115 1HD1 LEU 115 -8.673 -6.716 -6.039 876 HD12 LEU 115 2HD1 LEU 115 -9.553 -7.495 -7.353 877 HD13 LEU 115 3HD1 LEU 115 -9.582 -5.739 -7.193 878 HD21 LEU 115 1HD2 LEU 115 -6.158 -5.362 -7.115 879 HD22 LEU 115 2HD2 LEU 115 -7.699 -4.511 -7.231 880 HD23 LEU 115 3HD2 LEU 115 -6.730 -4.785 -8.680 881 H ASP 116 H ASP 116 -6.861 -11.047 -7.811 882 HA ASP 116 HA ASP 116 -4.021 -11.673 -8.178 883 HB2 ASP 116 2HB ASP 116 -3.980 -11.035 -5.920 884 HB3 ASP 116 3HB ASP 116 -5.558 -11.747 -5.595 885 H THR 117 H THR 117 -3.830 -13.524 -9.233 886 HA THR 117 HA THR 117 -5.958 -15.197 -9.904 887 HB THR 117 HB THR 117 -4.197 -16.854 -10.579 888 HG1 THR 117 HG1 THR 117 -2.276 -14.887 -9.948 889 HG21 THR 117 1HG2 THR 117 -4.998 -14.918 -12.004 890 HG22 THR 117 2HG2 THR 117 -3.412 -15.575 -12.416 891 HG23 THR 117 3HG2 THR 117 -3.535 -14.067 -11.510 892 H ARG 118 H ARG 118 -6.411 -17.384 -9.298 893 HA ARG 118 HA ARG 118 -5.436 -18.173 -6.642 894 HB2 ARG 118 2HB ARG 118 -8.244 -17.681 -7.497 895 HB3 ARG 118 3HB ARG 118 -7.947 -19.049 -6.433 896 HG2 ARG 118 2HG ARG 118 -6.577 -16.698 -5.487 897 HG3 ARG 118 3HG ARG 118 -8.301 -16.388 -5.704 898 HD2 ARG 118 2HD ARG 118 -8.248 -17.200 -3.549 899 HD3 ARG 118 3HD ARG 118 -8.579 -18.667 -4.468 900 HE ARG 118 HE ARG 118 -5.848 -18.546 -4.271 901 HH11 ARG 118 1HH1 ARG 118 -8.514 -18.611 -2.033 902 HH12 ARG 118 2HH1 ARG 118 -7.619 -19.418 -0.788 903 HH21 ARG 118 1HH2 ARG 118 -4.659 -19.608 -2.639 904 HH22 ARG 118 2HH2 ARG 118 -5.426 -19.983 -1.134 905 HA PRO 119 HA PRO 119 -5.250 -21.622 -9.774 906 HB2 PRO 119 2HB PRO 119 -2.670 -22.287 -9.255 907 HB3 PRO 119 3HB PRO 119 -3.125 -21.049 -10.432 908 HG2 PRO 119 2HG PRO 119 -2.196 -20.724 -7.605 909 HG3 PRO 119 3HG PRO 119 -1.735 -19.800 -9.046 910 HD2 PRO 119 2HD PRO 119 -3.539 -18.887 -7.246 911 HD3 PRO 119 3HD PRO 119 -3.638 -18.502 -8.975 912 H21 MYR 201 1H2 MYR 1 5.437 11.690 -0.526 913 H22 MYR 201 2H2 MYR 1 4.588 11.576 -2.056 914 H31 MYR 201 1H3 MYR 1 3.076 10.280 -0.824 915 H32 MYR 201 2H3 MYR 1 2.400 11.843 -0.363 916 H41 MYR 201 1H4 MYR 1 3.642 11.877 1.756 917 H42 MYR 201 2H4 MYR 1 4.674 10.532 1.263 918 H51 MYR 201 1H5 MYR 1 2.042 9.461 1.010 919 H52 MYR 201 2H5 MYR 1 1.926 10.486 2.443 920 H61 MYR 201 1H6 MYR 1 3.279 9.102 3.717 921 H62 MYR 201 2H6 MYR 1 4.440 8.852 2.411 922 H71 MYR 201 1H7 MYR 1 1.693 7.443 2.648 923 H72 MYR 201 2H7 MYR 1 3.246 6.719 3.070 924 H81 MYR 201 1H8 MYR 1 3.753 6.229 0.874 925 H82 MYR 201 2H8 MYR 1 3.315 7.846 0.314 926 H91 MYR 201 1H9 MYR 1 1.856 6.044 -0.692 927 H92 MYR 201 2H9 MYR 1 0.921 7.255 0.185 928 H101 MYR 201 1H10 MYR 1 0.121 5.725 1.685 929 H102 MYR 201 2H10 MYR 1 1.713 5.072 2.035 930 H111 MYR 201 1H11 MYR 1 0.408 4.299 -0.624 931 H112 MYR 201 2H11 MYR 1 -0.293 3.653 0.851 932 H121 MYR 201 1H12 MYR 1 1.734 2.475 1.482 933 H122 MYR 201 2H12 MYR 1 2.726 3.372 0.332 934 H131 MYR 201 1H13 MYR 1 2.323 1.819 -1.303 935 H132 MYR 201 2H13 MYR 1 0.584 2.101 -1.196 936 H141 MYR 201 1H14 MYR 1 1.876 0.352 0.975 937 H142 MYR 201 2H14 MYR 1 0.232 0.276 0.301 938 H143 MYR 201 3H14 MYR 1 1.604 -0.349 -0.642 Start of MODEL 15 1 H GLY 2 H GLY 2 4.319 14.035 0.125 2 HA2 GLY 2 2HA GLY 2 5.775 15.445 -1.926 3 HA3 GLY 2 3HA GLY 2 4.031 15.591 -2.082 4 H ASN 3 H ASN 3 3.055 15.954 0.328 5 HA ASN 3 HA ASN 3 4.563 17.626 2.050 6 HB2 ASN 3 2HB ASN 3 4.384 19.238 0.238 7 HB3 ASN 3 3HB ASN 3 2.641 19.006 0.165 8 HD21 ASN 3 1HD2 ASN 3 5.283 20.276 2.068 9 HD22 ASN 3 2HD2 ASN 3 4.328 21.343 3.035 10 H GLY 4 H GLY 4 3.606 17.675 3.998 11 HA2 GLY 4 2HA GLY 4 1.952 17.582 5.608 12 HA3 GLY 4 3HA GLY 4 0.756 17.709 4.326 13 H GLN 5 H GLN 5 -0.133 16.121 6.090 14 HA GLN 5 HA GLN 5 0.785 13.389 5.606 15 HB2 GLN 5 2HB GLN 5 -1.125 14.580 7.615 16 HB3 GLN 5 3HB GLN 5 -0.908 12.846 7.419 17 HG2 GLN 5 2HG GLN 5 1.214 14.830 8.205 18 HG3 GLN 5 3HG GLN 5 0.415 13.671 9.266 19 HE21 GLN 5 1HE2 GLN 5 2.914 14.194 7.002 20 HE22 GLN 5 2HE2 GLN 5 3.567 12.595 7.005 21 H GLY 6 H GLY 6 -0.265 11.998 4.330 22 HA2 GLY 6 2HA GLY 6 -2.497 12.898 2.776 23 HA3 GLY 6 3HA GLY 6 -1.747 11.311 2.701 24 H ARG 7 H ARG 7 -4.598 12.138 2.734 25 HA ARG 7 HA ARG 7 -5.719 11.433 5.246 26 HB2 ARG 7 2HB ARG 7 -6.666 12.471 2.834 27 HB3 ARG 7 3HB ARG 7 -7.476 10.918 2.995 28 HG2 ARG 7 2HG ARG 7 -8.351 11.551 5.153 29 HG3 ARG 7 3HG ARG 7 -7.453 13.070 5.101 30 HD2 ARG 7 2HD ARG 7 -9.684 13.579 4.484 31 HD3 ARG 7 3HD ARG 7 -8.730 13.622 3.003 32 HE ARG 7 HE ARG 7 -9.751 11.059 3.213 33 HH11 ARG 7 1HH1 ARG 7 -10.983 14.301 2.907 34 HH12 ARG 7 2HH1 ARG 7 -12.416 13.816 2.064 35 HH21 ARG 7 1HH2 ARG 7 -11.635 10.408 2.103 36 HH22 ARG 7 2HH2 ARG 7 -12.787 11.602 1.607 37 H ASP 8 H ASP 8 -5.646 9.656 2.150 38 HA ASP 8 HA ASP 8 -6.652 7.246 3.156 39 HB2 ASP 8 2HB ASP 8 -4.839 7.763 0.790 40 HB3 ASP 8 3HB ASP 8 -5.628 6.221 1.115 41 H TRP 9 H TRP 9 -3.486 8.640 3.309 42 HA TRP 9 HA TRP 9 -2.041 6.246 3.827 43 HB2 TRP 9 2HB TRP 9 -0.834 8.173 3.054 44 HB3 TRP 9 3HB TRP 9 -1.422 9.148 4.398 45 HD1 TRP 9 HD1 TRP 9 0.239 9.406 6.322 46 HE1 TRP 9 HE1 TRP 9 2.303 8.120 7.166 47 HE3 TRP 9 HE3 TRP 9 0.127 5.464 3.069 48 HZ2 TRP 9 HZ2 TRP 9 3.699 5.750 6.536 49 HZ3 TRP 9 HZ3 TRP 9 1.864 3.730 3.256 50 HH2 TRP 9 HH2 TRP 9 3.613 3.873 4.954 51 H LYS 10 H LYS 10 -2.900 8.918 6.035 52 HA LYS 10 HA LYS 10 -2.279 7.481 8.384 53 HB2 LYS 10 2HB LYS 10 -2.729 10.070 7.888 54 HB3 LYS 10 3HB LYS 10 -4.323 9.640 8.493 55 HG2 LYS 10 2HG LYS 10 -3.544 9.171 10.607 56 HG3 LYS 10 3HG LYS 10 -1.899 8.860 10.047 57 HD2 LYS 10 2HD LYS 10 -1.813 11.337 9.446 58 HD3 LYS 10 3HD LYS 10 -3.285 11.505 10.407 59 HE2 LYS 10 2HE LYS 10 -1.931 11.784 12.160 60 HE3 LYS 10 3HE LYS 10 -1.623 10.051 12.051 61 HZ1 LYS 10 1HZ LYS 10 0.345 11.712 12.056 62 HZ2 LYS 10 2HZ LYS 10 -0.032 11.909 10.420 63 HZ3 LYS 10 3HZ LYS 10 0.382 10.379 11.013 64 H MET 11 H MET 11 -5.207 7.797 6.486 65 HA MET 11 HA MET 11 -6.969 6.670 8.412 66 HB2 MET 11 2HB MET 11 -7.644 8.071 6.427 67 HB3 MET 11 3HB MET 11 -7.317 6.673 5.412 68 HG2 MET 11 2HG MET 11 -9.180 5.580 6.073 69 HG3 MET 11 3HG MET 11 -9.124 6.243 7.705 70 HE1 MET 11 1HE MET 11 -10.194 8.711 8.349 71 HE2 MET 11 2HE MET 11 -11.839 8.688 7.712 72 HE3 MET 11 3HE MET 11 -11.134 7.219 8.389 73 H ALA 12 H ALA 12 -4.907 5.345 5.912 74 HA ALA 12 HA ALA 12 -6.019 2.728 5.913 75 HB1 ALA 12 1HB ALA 12 -3.307 3.711 5.038 76 HB2 ALA 12 2HB ALA 12 -3.939 2.092 4.736 77 HB3 ALA 12 3HB ALA 12 -4.734 3.496 4.024 78 H ILE 13 H ILE 13 -3.145 4.133 7.471 79 HA ILE 13 HA ILE 13 -2.317 1.780 8.776 80 HB ILE 13 HB ILE 13 -1.847 4.647 9.600 81 HG12 ILE 13 2HG1 ILE 13 -1.068 4.109 7.312 82 HG13 ILE 13 3HG1 ILE 13 0.267 4.449 8.409 83 HG21 ILE 13 1HG2 ILE 13 0.286 3.407 10.547 84 HG22 ILE 13 2HG2 ILE 13 -1.202 3.533 11.483 85 HG23 ILE 13 3HG2 ILE 13 -0.833 2.045 10.611 86 HD11 ILE 13 1HD1 ILE 13 1.182 2.499 7.928 87 HD12 ILE 13 2HD1 ILE 13 -0.277 1.652 8.445 88 HD13 ILE 13 3HD1 ILE 13 -0.117 2.196 6.775 89 H LYS 14 H LYS 14 -4.286 4.512 9.910 90 HA LYS 14 HA LYS 14 -4.690 3.577 12.527 91 HB2 LYS 14 2HB LYS 14 -6.007 5.561 10.747 92 HB3 LYS 14 3HB LYS 14 -6.922 5.010 12.145 93 HG2 LYS 14 2HG LYS 14 -4.159 5.754 12.749 94 HG3 LYS 14 3HG LYS 14 -5.153 7.079 12.137 95 HD2 LYS 14 2HD LYS 14 -6.841 6.583 13.855 96 HD3 LYS 14 3HD LYS 14 -5.813 5.289 14.478 97 HE2 LYS 14 2HE LYS 14 -4.850 8.127 14.256 98 HE3 LYS 14 3HE LYS 14 -5.726 7.547 15.672 99 HZ1 LYS 14 1HZ LYS 14 -3.127 6.557 14.640 100 HZ2 LYS 14 2HZ LYS 14 -4.005 5.777 15.857 101 HZ3 LYS 14 3HZ LYS 14 -3.417 7.344 16.110 102 H ARG 15 H ARG 15 -6.784 3.304 9.656 103 HA ARG 15 HA ARG 15 -8.793 1.769 10.868 104 HB2 ARG 15 2HB ARG 15 -7.906 2.051 8.002 105 HB3 ARG 15 3HB ARG 15 -9.265 1.035 8.462 106 HG2 ARG 15 2HG ARG 15 -9.448 3.698 9.599 107 HG3 ARG 15 3HG ARG 15 -9.362 3.715 7.836 108 HD2 ARG 15 2HD ARG 15 -11.661 3.582 8.414 109 HD3 ARG 15 3HD ARG 15 -11.184 1.987 7.833 110 HE ARG 15 HE ARG 15 -11.623 1.139 9.913 111 HH11 ARG 15 1HH1 ARG 15 -11.403 4.607 10.119 112 HH12 ARG 15 2HH1 ARG 15 -11.944 4.674 11.764 113 HH21 ARG 15 1HH2 ARG 15 -12.337 1.215 12.078 114 HH22 ARG 15 2HH2 ARG 15 -12.474 2.744 12.877 115 H CYS 16 H CYS 16 -6.043 0.727 8.854 116 HA CYS 16 HA CYS 16 -6.474 -2.002 8.926 117 HB2 CYS 16 2HB CYS 16 -4.729 -0.777 7.582 118 HB3 CYS 16 3HB CYS 16 -3.753 -0.694 9.043 119 HG CYS 16 HG CYS 16 -2.530 -2.728 7.851 120 H SER 17 H SER 17 -5.114 0.096 11.373 121 HA SER 17 HA SER 17 -3.880 -1.771 13.022 122 HB2 SER 17 2HB SER 17 -4.068 0.855 13.174 123 HB3 SER 17 3HB SER 17 -5.422 0.486 14.243 124 HG SER 17 HG SER 17 -3.581 0.622 15.487 125 H ASN 18 H ASN 18 -7.242 -1.153 12.470 126 HA ASN 18 HA ASN 18 -8.018 -2.799 14.765 127 HB2 ASN 18 2HB ASN 18 -9.723 -1.185 12.855 128 HB3 ASN 18 3HB ASN 18 -10.315 -2.054 14.267 129 HD21 ASN 18 1HD2 ASN 18 -9.445 -1.393 16.362 130 HD22 ASN 18 2HD2 ASN 18 -9.063 0.274 16.609 131 H VAL 19 H VAL 19 -6.738 -3.833 12.285 132 HA VAL 19 HA VAL 19 -8.894 -5.622 11.371 133 HB VAL 19 HB VAL 19 -6.337 -4.882 9.941 134 HG11 VAL 19 1HG1 VAL 19 -6.617 -6.736 8.753 135 HG12 VAL 19 2HG1 VAL 19 -8.087 -7.129 9.646 136 HG13 VAL 19 3HG1 VAL 19 -8.174 -6.116 8.205 137 HG21 VAL 19 1HG2 VAL 19 -9.208 -4.155 9.366 138 HG22 VAL 19 2HG2 VAL 19 -7.951 -3.062 9.943 139 HG23 VAL 19 3HG2 VAL 19 -7.829 -3.773 8.334 140 H ALA 20 H ALA 20 -8.707 -7.750 11.726 141 HA ALA 20 HA ALA 20 -6.493 -8.707 13.309 142 HB1 ALA 20 1HB ALA 20 -8.318 -10.762 12.399 143 HB2 ALA 20 2HB ALA 20 -7.947 -10.226 14.038 144 HB3 ALA 20 3HB ALA 20 -9.172 -9.382 13.091 145 H VAL 21 H VAL 21 -4.640 -9.088 12.256 146 HA VAL 21 HA VAL 21 -4.345 -9.741 9.563 147 HB VAL 21 HB VAL 21 -2.437 -10.560 11.752 148 HG11 VAL 21 1HG1 VAL 21 -1.361 -9.580 9.231 149 HG12 VAL 21 2HG1 VAL 21 -0.969 -11.042 10.138 150 HG13 VAL 21 3HG1 VAL 21 -2.351 -11.026 9.041 151 HG21 VAL 21 1HG2 VAL 21 -1.590 -8.148 10.607 152 HG22 VAL 21 2HG2 VAL 21 -3.302 -7.932 10.973 153 HG23 VAL 21 3HG2 VAL 21 -2.180 -8.407 12.249 154 H GLY 22 H GLY 22 -4.956 -11.770 12.342 155 HA2 GLY 22 2HA GLY 22 -4.679 -14.172 10.659 156 HA3 GLY 22 3HA GLY 22 -4.667 -14.159 12.416 157 H VAL 23 H VAL 23 -6.457 -15.020 9.827 158 HA VAL 23 HA VAL 23 -9.065 -14.175 10.564 159 HB VAL 23 HB VAL 23 -8.584 -14.916 8.294 160 HG11 VAL 23 1HG1 VAL 23 -7.525 -16.812 7.789 161 HG12 VAL 23 2HG1 VAL 23 -7.210 -16.985 9.517 162 HG13 VAL 23 3HG1 VAL 23 -8.612 -17.773 8.791 163 HG21 VAL 23 1HG2 VAL 23 -10.864 -15.282 9.548 164 HG22 VAL 23 2HG2 VAL 23 -10.624 -15.897 7.913 165 HG23 VAL 23 3HG2 VAL 23 -10.480 -16.985 9.294 166 H GLY 24 H GLY 24 -7.047 -16.888 11.465 167 HA2 GLY 24 2HA GLY 24 -8.896 -17.533 13.612 168 HA3 GLY 24 3HA GLY 24 -8.653 -18.803 12.421 169 H GLY 25 H GLY 25 -7.809 -18.053 15.394 170 HA2 GLY 25 2HA GLY 25 -5.993 -19.760 16.089 171 HA3 GLY 25 3HA GLY 25 -4.961 -18.732 15.106 172 H LYS 26 H LYS 26 -5.247 -16.292 15.718 173 HA LYS 26 HA LYS 26 -5.677 -15.871 18.556 174 HB2 LYS 26 2HB LYS 26 -3.189 -16.622 17.915 175 HB3 LYS 26 3HB LYS 26 -3.045 -14.903 17.571 176 HG2 LYS 26 2HG LYS 26 -3.056 -14.342 19.737 177 HG3 LYS 26 3HG LYS 26 -4.312 -15.516 20.138 178 HD2 LYS 26 2HD LYS 26 -1.851 -16.840 19.412 179 HD3 LYS 26 3HD LYS 26 -1.586 -15.688 20.724 180 HE2 LYS 26 2HE LYS 26 -2.824 -16.878 22.193 181 HE3 LYS 26 3HE LYS 26 -3.987 -17.380 20.967 182 HZ1 LYS 26 1HZ LYS 26 -1.431 -18.620 21.720 183 HZ2 LYS 26 2HZ LYS 26 -2.007 -18.816 20.141 184 HZ3 LYS 26 3HZ LYS 26 -2.937 -19.344 21.453 185 H SER 27 H SER 27 -6.091 -13.743 19.084 186 HA SER 27 HA SER 27 -6.865 -12.045 16.909 187 HB2 SER 27 2HB SER 27 -8.079 -12.257 19.130 188 HB3 SER 27 3HB SER 27 -6.778 -11.296 19.834 189 HG SER 27 HG SER 27 -7.321 -9.737 18.094 190 H LYS 28 H LYS 28 -5.202 -11.206 15.773 191 HA LYS 28 HA LYS 28 -3.276 -9.548 17.263 192 HB2 LYS 28 2HB LYS 28 -2.793 -11.482 15.019 193 HB3 LYS 28 3HB LYS 28 -1.723 -10.105 15.245 194 HG2 LYS 28 2HG LYS 28 -1.870 -11.155 17.769 195 HG3 LYS 28 3HG LYS 28 -1.920 -12.593 16.748 196 HD2 LYS 28 2HD LYS 28 0.064 -11.395 15.512 197 HD3 LYS 28 3HD LYS 28 0.231 -10.546 17.052 198 HE2 LYS 28 2HE LYS 28 1.398 -12.289 17.791 199 HE3 LYS 28 3HE LYS 28 -0.092 -13.230 17.735 200 HZ1 LYS 28 1HZ LYS 28 0.516 -14.252 15.822 201 HZ2 LYS 28 2HZ LYS 28 2.066 -13.947 16.426 202 HZ3 LYS 28 3HZ LYS 28 1.403 -12.933 15.245 203 H LYS 29 H LYS 29 -3.791 -7.502 16.850 204 HA LYS 29 HA LYS 29 -5.057 -6.725 14.375 205 HB2 LYS 29 2HB LYS 29 -4.562 -5.516 17.005 206 HB3 LYS 29 3HB LYS 29 -4.439 -4.383 15.665 207 HG2 LYS 29 2HG LYS 29 -6.661 -4.226 16.276 208 HG3 LYS 29 3HG LYS 29 -6.707 -5.361 14.923 209 HD2 LYS 29 2HD LYS 29 -6.946 -7.220 16.372 210 HD3 LYS 29 3HD LYS 29 -6.538 -6.255 17.793 211 HE2 LYS 29 2HE LYS 29 -8.626 -4.875 17.177 212 HE3 LYS 29 3HE LYS 29 -9.060 -6.256 16.171 213 HZ1 LYS 29 1HZ LYS 29 -8.307 -6.771 18.950 214 HZ2 LYS 29 2HZ LYS 29 -9.432 -7.569 17.971 215 HZ3 LYS 29 3HZ LYS 29 -9.824 -6.076 18.664 216 H PHE 30 H PHE 30 -4.227 -5.220 12.873 217 HA PHE 30 HA PHE 30 -1.453 -5.556 12.303 218 HB2 PHE 30 2HB PHE 30 -3.792 -4.552 10.943 219 HB3 PHE 30 3HB PHE 30 -2.437 -3.450 10.719 220 HD1 PHE 30 HD1 PHE 30 -4.069 -6.085 9.276 221 HD2 PHE 30 HD2 PHE 30 -0.125 -4.849 10.294 222 HE1 PHE 30 HE1 PHE 30 -3.159 -7.566 7.535 223 HE2 PHE 30 HE2 PHE 30 0.791 -6.327 8.554 224 HZ PHE 30 HZ PHE 30 -0.726 -7.689 7.171 225 H GLY 31 H GLY 31 -0.384 -3.301 11.449 226 HA2 GLY 31 2HA GLY 31 -0.765 -1.013 13.070 227 HA3 GLY 31 3HA GLY 31 0.522 -2.001 13.742 228 H GLU 32 H GLU 32 1.128 0.513 12.960 229 HA GLU 32 HA GLU 32 1.902 0.898 10.310 230 HB2 GLU 32 2HB GLU 32 1.852 2.745 11.858 231 HB3 GLU 32 3HB GLU 32 3.082 1.995 12.865 232 HG2 GLU 32 2HG GLU 32 4.100 3.745 11.609 233 HG3 GLU 32 3HG GLU 32 4.679 2.204 10.980 234 H GLY 33 H GLY 33 3.671 -0.542 13.021 235 HA2 GLY 33 2HA GLY 33 6.138 -0.871 11.708 236 HA3 GLY 33 3HA GLY 33 5.584 -1.807 13.089 237 H ASN 34 H ASN 34 3.481 -3.203 12.169 238 HA ASN 34 HA ASN 34 4.652 -5.320 10.773 239 HB2 ASN 34 2HB ASN 34 1.712 -4.664 11.062 240 HB3 ASN 34 3HB ASN 34 2.371 -6.227 10.588 241 HD21 ASN 34 1HD2 ASN 34 3.166 -7.587 12.115 242 HD22 ASN 34 2HD2 ASN 34 3.079 -7.276 13.813 243 H PHE 35 H PHE 35 2.349 -2.861 9.626 244 HA PHE 35 HA PHE 35 2.075 -3.693 7.009 245 HB2 PHE 35 2HB PHE 35 0.699 -1.915 7.845 246 HB3 PHE 35 3HB PHE 35 2.102 -0.900 8.159 247 HD1 PHE 35 HD1 PHE 35 2.016 0.943 6.793 248 HD2 PHE 35 HD2 PHE 35 1.041 -2.873 5.177 249 HE1 PHE 35 HE1 PHE 35 1.786 1.950 4.559 250 HE2 PHE 35 HE2 PHE 35 0.810 -1.872 2.942 251 HZ PHE 35 HZ PHE 35 1.183 0.542 2.630 252 H ARG 36 H ARG 36 4.619 -1.701 8.441 253 HA ARG 36 HA ARG 36 5.943 -1.088 6.017 254 HB2 ARG 36 2HB ARG 36 6.972 -1.178 8.857 255 HB3 ARG 36 3HB ARG 36 7.873 -0.525 7.496 256 HG2 ARG 36 2HG ARG 36 5.218 0.625 7.710 257 HG3 ARG 36 3HG ARG 36 6.185 0.872 9.166 258 HD2 ARG 36 2HD ARG 36 8.031 1.494 7.356 259 HD3 ARG 36 3HD ARG 36 6.597 1.887 6.409 260 HE ARG 36 HE ARG 36 6.309 3.737 7.710 261 HH11 ARG 36 1HH1 ARG 36 8.376 1.499 9.394 262 HH12 ARG 36 2HH1 ARG 36 8.719 2.591 10.695 263 HH21 ARG 36 1HH2 ARG 36 6.753 5.185 9.416 264 HH22 ARG 36 2HH2 ARG 36 7.794 4.687 10.707 265 H TRP 37 H TRP 37 6.311 -3.692 8.374 266 HA TRP 37 HA TRP 37 8.650 -4.837 7.337 267 HB2 TRP 37 2HB TRP 37 7.892 -5.513 9.503 268 HB3 TRP 37 3HB TRP 37 6.341 -6.046 8.861 269 HD1 TRP 37 HD1 TRP 37 9.857 -7.230 9.496 270 HE1 TRP 37 HE1 TRP 37 10.071 -9.700 8.806 271 HE3 TRP 37 HE3 TRP 37 5.400 -7.778 7.051 272 HZ2 TRP 37 HZ2 TRP 37 8.552 -11.626 7.409 273 HZ3 TRP 37 HZ3 TRP 37 4.858 -9.966 6.066 274 HH2 TRP 37 HH2 TRP 37 6.402 -11.848 6.241 275 H ALA 38 H ALA 38 5.304 -5.100 6.360 276 HA ALA 38 HA ALA 38 5.683 -7.347 4.631 277 HB1 ALA 38 1HB ALA 38 3.488 -7.181 5.266 278 HB2 ALA 38 2HB ALA 38 3.474 -5.420 5.154 279 HB3 ALA 38 3HB ALA 38 3.425 -6.398 3.687 280 H ILE 39 H ILE 39 5.074 -3.892 3.972 281 HA ILE 39 HA ILE 39 5.505 -4.028 1.207 282 HB ILE 39 HB ILE 39 4.404 -2.113 2.197 283 HG12 ILE 39 2HG1 ILE 39 7.030 -1.322 0.915 284 HG13 ILE 39 3HG1 ILE 39 5.573 -1.801 0.051 285 HG21 ILE 39 1HG2 ILE 39 5.723 -2.085 4.293 286 HG22 ILE 39 2HG2 ILE 39 7.067 -1.375 3.400 287 HG23 ILE 39 3HG2 ILE 39 5.550 -0.491 3.560 288 HD11 ILE 39 1HD1 ILE 39 5.232 0.407 -0.071 289 HD12 ILE 39 2HD1 ILE 39 4.613 0.213 1.570 290 HD13 ILE 39 3HD1 ILE 39 6.272 0.751 1.310 291 H ARG 40 H ARG 40 7.731 -3.455 3.884 292 HA ARG 40 HA ARG 40 9.975 -2.720 2.356 293 HB2 ARG 40 2HB ARG 40 9.933 -2.308 4.731 294 HB3 ARG 40 3HB ARG 40 9.771 -4.026 5.071 295 HG2 ARG 40 2HG ARG 40 12.033 -3.236 5.503 296 HG3 ARG 40 3HG ARG 40 12.005 -4.426 4.200 297 HD2 ARG 40 2HD ARG 40 12.777 -2.957 2.698 298 HD3 ARG 40 3HD ARG 40 11.696 -1.684 3.260 299 HE ARG 40 HE ARG 40 14.435 -2.113 4.044 300 HH11 ARG 40 1HH1 ARG 40 11.389 -0.659 4.892 301 HH12 ARG 40 2HH1 ARG 40 12.097 0.531 5.932 302 HH21 ARG 40 1HH2 ARG 40 15.381 -0.550 5.410 303 HH22 ARG 40 2HH2 ARG 40 14.369 0.593 6.226 304 H MET 41 H MET 41 9.129 -5.876 3.790 305 HA MET 41 HA MET 41 11.255 -7.292 2.606 306 HB2 MET 41 2HB MET 41 10.115 -8.215 4.513 307 HB3 MET 41 3HB MET 41 8.581 -8.225 3.652 308 HG2 MET 41 2HG MET 41 9.074 -10.112 2.508 309 HG3 MET 41 3HG MET 41 10.798 -9.756 2.443 310 HE1 MET 41 1HE MET 41 12.232 -12.082 4.879 311 HE2 MET 41 2HE MET 41 11.818 -12.107 3.165 312 HE3 MET 41 3HE MET 41 12.507 -10.651 3.884 313 H ALA 42 H ALA 42 7.802 -7.205 1.715 314 HA ALA 42 HA ALA 42 7.913 -8.744 -0.572 315 HB1 ALA 42 1HB ALA 42 5.781 -8.165 0.191 316 HB2 ALA 42 2HB ALA 42 6.150 -6.439 0.190 317 HB3 ALA 42 3HB ALA 42 5.946 -7.298 -1.337 318 H ASN 43 H ASN 43 8.935 -5.444 -0.092 319 HA ASN 43 HA ASN 43 9.095 -4.718 -2.835 320 HB2 ASN 43 2HB ASN 43 10.046 -3.585 -0.256 321 HB3 ASN 43 3HB ASN 43 10.873 -3.049 -1.715 322 HD21 ASN 43 1HD2 ASN 43 9.422 -1.331 -0.112 323 HD22 ASN 43 2HD2 ASN 43 8.031 -0.786 -0.981 324 H VAL 44 H VAL 44 11.687 -5.470 -0.496 325 HA VAL 44 HA VAL 44 13.756 -5.615 -2.378 326 HB VAL 44 HB VAL 44 13.587 -7.115 0.240 327 HG11 VAL 44 1HG1 VAL 44 15.384 -7.884 -1.226 328 HG12 VAL 44 2HG1 VAL 44 15.970 -6.226 -1.384 329 HG13 VAL 44 3HG1 VAL 44 16.027 -7.037 0.182 330 HG21 VAL 44 1HG2 VAL 44 14.743 -5.178 1.207 331 HG22 VAL 44 2HG2 VAL 44 14.607 -4.333 -0.335 332 HG23 VAL 44 3HG2 VAL 44 13.154 -4.744 0.577 333 H SER 45 H SER 45 11.649 -8.140 -1.058 334 HA SER 45 HA SER 45 12.863 -10.364 -2.205 335 HB2 SER 45 2HB SER 45 11.206 -10.904 -0.667 336 HB3 SER 45 3HB SER 45 10.058 -9.747 -1.343 337 HG SER 45 HG SER 45 9.656 -12.040 -1.798 338 H THR 46 H THR 46 10.942 -7.879 -3.650 339 HA THR 46 HA THR 46 10.666 -9.418 -6.131 340 HB THR 46 HB THR 46 9.144 -7.642 -6.878 341 HG1 THR 46 HG1 THR 46 8.527 -6.101 -5.127 342 HG21 THR 46 1HG2 THR 46 7.853 -9.248 -5.891 343 HG22 THR 46 2HG2 THR 46 7.495 -7.901 -4.810 344 HG23 THR 46 3HG2 THR 46 8.682 -9.116 -4.341 345 H GLY 47 H GLY 47 12.487 -6.892 -4.695 346 HA2 GLY 47 2HA GLY 47 14.358 -5.807 -5.514 347 HA3 GLY 47 3HA GLY 47 14.135 -6.656 -7.036 348 H ARG 48 H ARG 48 11.675 -4.678 -5.499 349 HA ARG 48 HA ARG 48 11.681 -2.949 -7.858 350 HB2 ARG 48 2HB ARG 48 9.607 -4.155 -6.676 351 HB3 ARG 48 3HB ARG 48 9.616 -2.668 -5.737 352 HG2 ARG 48 2HG ARG 48 8.750 -1.482 -7.410 353 HG3 ARG 48 3HG ARG 48 9.844 -2.195 -8.596 354 HD2 ARG 48 2HD ARG 48 7.601 -3.835 -7.513 355 HD3 ARG 48 3HD ARG 48 7.256 -2.607 -8.732 356 HE ARG 48 HE ARG 48 8.509 -5.128 -9.155 357 HH11 ARG 48 1HH1 ARG 48 8.456 -1.824 -10.249 358 HH12 ARG 48 2HH1 ARG 48 9.013 -2.206 -11.844 359 HH21 ARG 48 1HH2 ARG 48 9.243 -5.644 -11.251 360 HH22 ARG 48 2HH2 ARG 48 9.459 -4.379 -12.414 361 H GLU 49 H GLU 49 13.835 -2.444 -6.298 362 HA GLU 49 HA GLU 49 14.969 -0.737 -5.308 363 HB2 GLU 49 2HB GLU 49 12.505 0.966 -5.619 364 HB3 GLU 49 3HB GLU 49 14.184 1.483 -5.568 365 HG2 GLU 49 2HG GLU 49 14.510 0.219 -7.725 366 HG3 GLU 49 3HG GLU 49 12.757 0.054 -7.790 367 HA PRO 50 HA PRO 50 13.904 -0.859 -1.051 368 HB2 PRO 50 2HB PRO 50 15.277 1.284 -0.110 369 HB3 PRO 50 3HB PRO 50 16.066 -0.214 -0.618 370 HG2 PRO 50 2HG PRO 50 15.737 2.358 -2.116 371 HG3 PRO 50 3HG PRO 50 17.162 1.308 -1.994 372 HD2 PRO 50 2HD PRO 50 15.519 1.288 -4.146 373 HD3 PRO 50 3HD PRO 50 16.371 -0.164 -3.581 374 H GLY 51 H GLY 51 13.805 2.465 -2.361 375 HA2 GLY 51 2HA GLY 51 11.746 3.223 -0.471 376 HA3 GLY 51 3HA GLY 51 12.462 4.249 -1.706 377 H ASP 52 H ASP 52 10.235 1.519 -1.276 378 HA ASP 52 HA ASP 52 8.781 2.448 -3.664 379 HB2 ASP 52 2HB ASP 52 9.735 -0.132 -2.984 380 HB3 ASP 52 3HB ASP 52 7.978 -0.189 -2.875 381 H ILE 53 H ILE 53 7.375 3.879 -2.725 382 HA ILE 53 HA ILE 53 5.373 2.690 -0.930 383 HB ILE 53 HB ILE 53 5.193 4.966 0.175 384 HG12 ILE 53 2HG1 ILE 53 8.031 5.393 -0.689 385 HG13 ILE 53 3HG1 ILE 53 6.717 5.947 -1.721 386 HG21 ILE 53 1HG2 ILE 53 7.834 4.141 1.006 387 HG22 ILE 53 2HG2 ILE 53 6.298 4.028 1.862 388 HG23 ILE 53 3HG2 ILE 53 6.777 2.756 0.740 389 HD11 ILE 53 1HD1 ILE 53 5.956 7.469 -0.116 390 HD12 ILE 53 2HD1 ILE 53 6.897 6.712 1.171 391 HD13 ILE 53 3HD1 ILE 53 7.712 7.622 -0.102 392 HA PRO 54 HA PRO 54 3.412 4.676 -4.638 393 HB2 PRO 54 2HB PRO 54 1.712 2.618 -5.128 394 HB3 PRO 54 3HB PRO 54 3.358 2.676 -5.767 395 HG2 PRO 54 2HG PRO 54 2.304 1.208 -3.381 396 HG3 PRO 54 3HG PRO 54 3.438 0.652 -4.626 397 HD2 PRO 54 2HD PRO 54 4.252 1.501 -2.186 398 HD3 PRO 54 3HD PRO 54 5.229 1.728 -3.652 399 H GLU 55 H GLU 55 0.856 4.622 -5.037 400 HA GLU 55 HA GLU 55 -0.697 4.546 -2.607 401 HB2 GLU 55 2HB GLU 55 0.127 7.132 -3.886 402 HB3 GLU 55 3HB GLU 55 -1.420 7.009 -3.059 403 HG2 GLU 55 2HG GLU 55 -0.164 6.202 -1.043 404 HG3 GLU 55 3HG GLU 55 1.321 6.625 -1.892 405 H THR 56 H THR 56 -1.040 3.038 -4.823 406 HA THR 56 HA THR 56 -3.615 3.999 -5.805 407 HB THR 56 HB THR 56 -3.164 3.599 -8.108 408 HG1 THR 56 HG1 THR 56 -1.103 2.810 -8.783 409 HG21 THR 56 1HG2 THR 56 -0.837 5.108 -6.909 410 HG22 THR 56 2HG2 THR 56 -2.416 5.779 -7.316 411 HG23 THR 56 3HG2 THR 56 -1.352 5.193 -8.593 412 H LEU 57 H LEU 57 -5.100 2.412 -6.005 413 HA LEU 57 HA LEU 57 -4.725 -0.075 -4.831 414 HB2 LEU 57 2HB LEU 57 -6.869 1.298 -5.653 415 HB3 LEU 57 3HB LEU 57 -6.767 0.127 -6.965 416 HG LEU 57 HG LEU 57 -6.584 -1.143 -4.363 417 HD11 LEU 57 1HD1 LEU 57 -8.143 1.007 -4.139 418 HD12 LEU 57 2HD1 LEU 57 -8.510 -0.523 -3.341 419 HD13 LEU 57 3HD1 LEU 57 -9.311 -0.104 -4.856 420 HD21 LEU 57 1HD2 LEU 57 -7.174 -1.973 -6.796 421 HD22 LEU 57 2HD2 LEU 57 -8.813 -1.561 -6.288 422 HD23 LEU 57 3HD2 LEU 57 -7.873 -2.738 -5.368 423 H ASP 58 H ASP 58 -4.183 0.959 -8.112 424 HA ASP 58 HA ASP 58 -4.061 -1.629 -9.286 425 HB2 ASP 58 2HB ASP 58 -3.175 1.113 -10.119 426 HB3 ASP 58 3HB ASP 58 -2.664 -0.292 -11.049 427 H GLN 59 H GLN 59 -1.570 0.620 -8.115 428 HA GLN 59 HA GLN 59 0.661 -0.938 -8.751 429 HB2 GLN 59 2HB GLN 59 0.121 1.254 -6.797 430 HB3 GLN 59 3HB GLN 59 1.627 0.356 -6.658 431 HG2 GLN 59 2HG GLN 59 2.258 0.966 -8.893 432 HG3 GLN 59 3HG GLN 59 0.698 1.742 -9.160 433 HE21 GLN 59 1HE2 GLN 59 0.220 3.344 -7.217 434 HE22 GLN 59 2HE2 GLN 59 1.488 4.481 -6.931 435 H LEU 60 H LEU 60 -1.472 -0.990 -5.956 436 HA LEU 60 HA LEU 60 0.098 -2.721 -4.360 437 HB2 LEU 60 2HB LEU 60 -2.689 -1.728 -4.349 438 HB3 LEU 60 3HB LEU 60 -2.376 -3.215 -3.458 439 HG LEU 60 HG LEU 60 -2.318 -1.139 -2.076 440 HD11 LEU 60 1HD1 LEU 60 -0.729 -1.997 -0.691 441 HD12 LEU 60 2HD1 LEU 60 0.432 -2.252 -1.993 442 HD13 LEU 60 3HD1 LEU 60 -0.916 -3.369 -1.784 443 HD21 LEU 60 1HD2 LEU 60 0.192 -0.579 -3.654 444 HD22 LEU 60 2HD2 LEU 60 -0.369 0.317 -2.243 445 HD23 LEU 60 3HD2 LEU 60 -1.308 0.345 -3.737 446 H ARG 61 H ARG 61 -2.651 -3.315 -6.535 447 HA ARG 61 HA ARG 61 -2.903 -6.054 -6.150 448 HB2 ARG 61 2HB ARG 61 -4.558 -4.819 -7.399 449 HB3 ARG 61 3HB ARG 61 -3.377 -4.398 -8.630 450 HG2 ARG 61 2HG ARG 61 -3.172 -6.821 -9.168 451 HG3 ARG 61 3HG ARG 61 -4.500 -7.126 -8.046 452 HD2 ARG 61 2HD ARG 61 -5.197 -6.962 -10.433 453 HD3 ARG 61 3HD ARG 61 -6.003 -5.814 -9.364 454 HE ARG 61 HE ARG 61 -3.676 -4.700 -10.583 455 HH11 ARG 61 1HH1 ARG 61 -7.033 -5.456 -11.110 456 HH12 ARG 61 2HH1 ARG 61 -7.255 -4.230 -12.314 457 HH21 ARG 61 1HH2 ARG 61 -3.955 -3.082 -12.166 458 HH22 ARG 61 2HH2 ARG 61 -5.504 -2.880 -12.914 459 H LEU 62 H LEU 62 -0.753 -4.267 -8.310 460 HA LEU 62 HA LEU 62 0.293 -6.509 -9.670 461 HB2 LEU 62 2HB LEU 62 0.960 -3.661 -9.390 462 HB3 LEU 62 3HB LEU 62 2.321 -4.712 -9.775 463 HG LEU 62 HG LEU 62 -0.219 -4.537 -11.395 464 HD11 LEU 62 1HD1 LEU 62 0.842 -2.442 -11.629 465 HD12 LEU 62 2HD1 LEU 62 1.312 -3.386 -13.043 466 HD13 LEU 62 3HD1 LEU 62 2.444 -3.176 -11.707 467 HD21 LEU 62 1HD2 LEU 62 2.443 -5.826 -11.990 468 HD22 LEU 62 2HD2 LEU 62 1.045 -5.770 -13.065 469 HD23 LEU 62 3HD2 LEU 62 0.962 -6.681 -11.555 470 H VAL 63 H VAL 63 1.403 -4.725 -6.815 471 HA VAL 63 HA VAL 63 3.821 -6.014 -6.385 472 HB VAL 63 HB VAL 63 1.884 -5.010 -4.295 473 HG11 VAL 63 1HG1 VAL 63 4.815 -5.693 -4.136 474 HG12 VAL 63 2HG1 VAL 63 3.946 -4.775 -2.905 475 HG13 VAL 63 3HG1 VAL 63 3.488 -6.443 -3.249 476 HG21 VAL 63 1HG2 VAL 63 2.461 -2.940 -4.866 477 HG22 VAL 63 2HG2 VAL 63 4.176 -3.341 -4.774 478 HG23 VAL 63 3HG2 VAL 63 3.286 -3.609 -6.274 479 H ILE 64 H ILE 64 0.564 -6.957 -5.364 480 HA ILE 64 HA ILE 64 1.303 -9.175 -3.802 481 HB ILE 64 HB ILE 64 -1.252 -8.749 -5.357 482 HG12 ILE 64 2HG1 ILE 64 -0.838 -6.926 -3.799 483 HG13 ILE 64 3HG1 ILE 64 -2.138 -7.943 -3.188 484 HG21 ILE 64 1HG2 ILE 64 -0.310 -10.976 -3.834 485 HG22 ILE 64 2HG2 ILE 64 -1.687 -10.245 -3.011 486 HG23 ILE 64 3HG2 ILE 64 -1.842 -10.780 -4.685 487 HD11 ILE 64 1HD1 ILE 64 0.058 -9.063 -2.023 488 HD12 ILE 64 2HD1 ILE 64 0.475 -7.350 -2.048 489 HD13 ILE 64 3HD1 ILE 64 -1.015 -7.884 -1.268 490 H CYS 65 H CYS 65 0.136 -9.055 -7.171 491 HA CYS 65 HA CYS 65 0.330 -11.738 -7.784 492 HB2 CYS 65 2HB CYS 65 -0.496 -9.691 -9.197 493 HB3 CYS 65 3HB CYS 65 1.152 -9.691 -9.813 494 HG CYS 65 HG CYS 65 0.271 -11.154 -11.768 495 H ASP 66 H ASP 66 2.863 -9.339 -7.556 496 HA ASP 66 HA ASP 66 4.894 -10.845 -8.842 497 HB2 ASP 66 2HB ASP 66 5.214 -8.683 -6.750 498 HB3 ASP 66 3HB ASP 66 6.443 -9.234 -7.884 499 H LEU 67 H LEU 67 4.158 -10.299 -5.401 500 HA LEU 67 HA LEU 67 6.164 -11.992 -4.392 501 HB2 LEU 67 2HB LEU 67 3.515 -11.354 -3.104 502 HB3 LEU 67 3HB LEU 67 4.989 -11.883 -2.294 503 HG LEU 67 HG LEU 67 4.845 -9.284 -3.798 504 HD11 LEU 67 1HD1 LEU 67 3.083 -9.526 -1.958 505 HD12 LEU 67 2HD1 LEU 67 4.164 -8.135 -1.883 506 HD13 LEU 67 3HD1 LEU 67 4.444 -9.526 -0.835 507 HD21 LEU 67 1HD2 LEU 67 6.762 -8.703 -2.516 508 HD22 LEU 67 2HD2 LEU 67 7.052 -10.308 -3.187 509 HD23 LEU 67 3HD2 LEU 67 6.590 -10.129 -1.493 510 H GLN 68 H GLN 68 2.742 -12.583 -5.117 511 HA GLN 68 HA GLN 68 2.565 -15.198 -4.178 512 HB2 GLN 68 2HB GLN 68 0.810 -13.497 -5.293 513 HB3 GLN 68 3HB GLN 68 1.103 -14.546 -6.676 514 HG2 GLN 68 2HG GLN 68 0.708 -16.228 -4.457 515 HG3 GLN 68 3HG GLN 68 -0.544 -14.990 -4.389 516 HE21 GLN 68 1HE2 GLN 68 -2.140 -14.964 -5.906 517 HE22 GLN 68 2HE2 GLN 68 -2.347 -16.199 -7.095 518 H GLU 69 H GLU 69 3.561 -13.991 -7.358 519 HA GLU 69 HA GLU 69 3.842 -16.463 -8.638 520 HB2 GLU 69 2HB GLU 69 4.990 -13.738 -9.058 521 HB3 GLU 69 3HB GLU 69 5.680 -15.087 -9.951 522 HG2 GLU 69 2HG GLU 69 3.697 -15.500 -11.101 523 HG3 GLU 69 3HG GLU 69 2.729 -14.581 -9.949 524 H ARG 70 H ARG 70 6.283 -14.499 -6.947 525 HA ARG 70 HA ARG 70 8.399 -16.334 -7.266 526 HB2 ARG 70 2HB ARG 70 7.886 -13.921 -5.626 527 HB3 ARG 70 3HB ARG 70 9.124 -15.016 -5.027 528 HG2 ARG 70 2HG ARG 70 10.072 -14.891 -7.423 529 HG3 ARG 70 3HG ARG 70 9.066 -13.449 -7.569 530 HD2 ARG 70 2HD ARG 70 10.967 -12.470 -6.796 531 HD3 ARG 70 3HD ARG 70 10.224 -12.878 -5.250 532 HE ARG 70 HE ARG 70 11.947 -14.321 -4.866 533 HH11 ARG 70 1HH1 ARG 70 11.777 -13.674 -8.283 534 HH12 ARG 70 2HH1 ARG 70 13.224 -14.554 -8.653 535 HH21 ARG 70 1HH2 ARG 70 13.852 -15.481 -5.341 536 HH22 ARG 70 2HH2 ARG 70 14.402 -15.582 -6.979 537 H ARG 71 H ARG 71 5.920 -15.962 -4.799 538 HA ARG 71 HA ARG 71 6.985 -17.674 -2.857 539 HB2 ARG 71 2HB ARG 71 5.026 -16.121 -2.576 540 HB3 ARG 71 3HB ARG 71 4.053 -17.285 -3.464 541 HG2 ARG 71 2HG ARG 71 4.391 -18.946 -1.758 542 HG3 ARG 71 3HG ARG 71 5.511 -17.885 -0.900 543 HD2 ARG 71 2HD ARG 71 3.853 -16.719 0.055 544 HD3 ARG 71 3HD ARG 71 2.908 -16.671 -1.432 545 HE ARG 71 HE ARG 71 2.616 -18.515 0.737 546 HH11 ARG 71 1HH1 ARG 71 2.194 -18.086 -2.692 547 HH12 ARG 71 2HH1 ARG 71 0.949 -19.283 -2.822 548 HH21 ARG 71 1HH2 ARG 71 0.978 -20.095 0.579 549 HH22 ARG 71 2HH2 ARG 71 0.258 -20.425 -0.959 550 H GLU 72 H GLU 72 4.650 -18.367 -5.457 551 HA GLU 72 HA GLU 72 4.341 -21.092 -4.945 552 HB2 GLU 72 2HB GLU 72 3.544 -19.245 -6.959 553 HB3 GLU 72 3HB GLU 72 4.214 -20.659 -7.761 554 HG2 GLU 72 2HG GLU 72 2.408 -21.338 -5.585 555 HG3 GLU 72 3HG GLU 72 1.641 -20.382 -6.852 556 H LYS 73 H LYS 73 6.572 -19.455 -7.179 557 HA LYS 73 HA LYS 73 7.820 -21.679 -8.256 558 HB2 LYS 73 2HB LYS 73 8.349 -18.844 -8.077 559 HB3 LYS 73 3HB LYS 73 9.843 -19.760 -7.934 560 HG2 LYS 73 2HG LYS 73 8.616 -21.001 -10.033 561 HG3 LYS 73 3HG LYS 73 8.121 -19.321 -10.249 562 HD2 LYS 73 2HD LYS 73 10.112 -19.370 -11.412 563 HD3 LYS 73 3HD LYS 73 10.647 -18.819 -9.823 564 HE2 LYS 73 2HE LYS 73 10.996 -21.342 -9.344 565 HE3 LYS 73 3HE LYS 73 10.953 -21.511 -11.099 566 HZ1 LYS 73 1HZ LYS 73 13.164 -21.176 -10.788 567 HZ2 LYS 73 2HZ LYS 73 12.960 -20.226 -9.403 568 HZ3 LYS 73 3HZ LYS 73 12.686 -19.560 -10.934 569 H PHE 74 H PHE 74 8.388 -20.064 -5.184 570 HA PHE 74 HA PHE 74 10.695 -21.678 -4.558 571 HB2 PHE 74 2HB PHE 74 9.606 -19.262 -3.603 572 HB3 PHE 74 3HB PHE 74 9.544 -20.389 -2.253 573 HD1 PHE 74 HD1 PHE 74 11.462 -20.890 -1.024 574 HD2 PHE 74 HD2 PHE 74 11.821 -18.927 -4.783 575 HE1 PHE 74 HE1 PHE 74 13.853 -20.503 -0.590 576 HE2 PHE 74 HE2 PHE 74 14.212 -18.538 -4.356 577 HZ PHE 74 HZ PHE 74 15.231 -19.327 -2.258 578 H GLY 75 H GLY 75 7.267 -21.807 -4.039 579 HA2 GLY 75 2HA GLY 75 6.219 -23.911 -3.552 580 HA3 GLY 75 3HA GLY 75 7.638 -24.356 -2.616 581 H SER 76 H SER 76 5.233 -21.721 -2.644 582 HA SER 76 HA SER 76 4.023 -20.755 -0.977 583 HB2 SER 76 2HB SER 76 3.380 -23.221 -0.668 584 HB3 SER 76 3HB SER 76 4.510 -23.224 0.686 585 HG SER 76 HG SER 76 2.033 -22.504 0.781 586 H SER 77 H SER 77 4.139 -20.029 1.361 587 HA SER 77 HA SER 77 6.462 -20.251 2.899 588 HB2 SER 77 2HB SER 77 7.755 -19.127 1.292 589 HB3 SER 77 3HB SER 77 6.454 -18.004 0.897 590 HG SER 77 HG SER 77 8.344 -17.887 2.892 591 H LYS 78 H LYS 78 6.209 -19.274 4.862 592 HA LYS 78 HA LYS 78 3.618 -18.210 5.461 593 HB2 LYS 78 2HB LYS 78 5.681 -19.456 6.901 594 HB3 LYS 78 3HB LYS 78 5.542 -17.842 7.587 595 HG2 LYS 78 2HG LYS 78 2.985 -18.401 7.607 596 HG3 LYS 78 3HG LYS 78 3.565 -20.068 7.553 597 HD2 LYS 78 2HD LYS 78 3.299 -19.522 9.845 598 HD3 LYS 78 3HD LYS 78 5.035 -19.493 9.523 599 HE2 LYS 78 2HE LYS 78 4.888 -17.520 10.626 600 HE3 LYS 78 3HE LYS 78 4.466 -16.931 9.019 601 HZ1 LYS 78 1HZ LYS 78 2.117 -17.196 9.611 602 HZ2 LYS 78 2HZ LYS 78 2.906 -16.106 10.635 603 HZ3 LYS 78 3HZ LYS 78 2.560 -17.672 11.172 604 H GLU 79 H GLU 79 6.925 -16.895 5.635 605 HA GLU 79 HA GLU 79 6.240 -14.312 6.440 606 HB2 GLU 79 2HB GLU 79 8.590 -15.635 5.300 607 HB3 GLU 79 3HB GLU 79 8.470 -13.935 4.870 608 HG2 GLU 79 2HG GLU 79 9.694 -13.841 6.804 609 HG3 GLU 79 3HG GLU 79 8.058 -13.591 7.409 610 H ILE 80 H ILE 80 6.640 -15.653 3.180 611 HA ILE 80 HA ILE 80 6.192 -13.262 1.770 612 HB ILE 80 HB ILE 80 5.625 -16.093 0.881 613 HG12 ILE 80 2HG1 ILE 80 8.062 -14.377 0.373 614 HG13 ILE 80 3HG1 ILE 80 7.977 -15.619 1.616 615 HG21 ILE 80 1HG2 ILE 80 5.479 -13.472 -0.478 616 HG22 ILE 80 2HG2 ILE 80 6.220 -14.794 -1.379 617 HG23 ILE 80 3HG2 ILE 80 4.573 -14.956 -0.771 618 HD11 ILE 80 1HD1 ILE 80 8.714 -15.905 -1.076 619 HD12 ILE 80 2HD1 ILE 80 8.532 -17.167 0.143 620 HD13 ILE 80 3HD1 ILE 80 7.167 -16.731 -0.884 621 H ASP 81 H ASP 81 3.952 -15.952 2.454 622 HA ASP 81 HA ASP 81 1.661 -14.894 1.333 623 HB2 ASP 81 2HB ASP 81 1.759 -17.178 2.174 624 HB3 ASP 81 3HB ASP 81 1.914 -16.589 3.826 625 H MET 82 H MET 82 3.196 -14.110 4.375 626 HA MET 82 HA MET 82 1.030 -12.690 5.522 627 HB2 MET 82 2HB MET 82 3.396 -13.542 6.474 628 HB3 MET 82 3HB MET 82 3.798 -11.856 6.183 629 HG2 MET 82 2HG MET 82 2.185 -11.092 7.698 630 HG3 MET 82 3HG MET 82 1.363 -12.650 7.736 631 HE1 MET 82 1HE MET 82 3.334 -10.757 10.573 632 HE2 MET 82 2HE MET 82 1.704 -11.115 10.004 633 HE3 MET 82 3HE MET 82 2.432 -12.104 11.269 634 H ALA 83 H ALA 83 4.016 -11.482 3.984 635 HA ALA 83 HA ALA 83 3.417 -8.791 3.962 636 HB1 ALA 83 1HB ALA 83 4.970 -8.598 2.074 637 HB2 ALA 83 2HB ALA 83 5.598 -9.659 3.336 638 HB3 ALA 83 3HB ALA 83 4.919 -10.348 1.861 639 H ILE 84 H ILE 84 2.216 -11.328 1.880 640 HA ILE 84 HA ILE 84 1.145 -9.660 -0.149 641 HB ILE 84 HB ILE 84 0.307 -12.444 0.673 642 HG12 ILE 84 2HG1 ILE 84 1.991 -11.736 -1.711 643 HG13 ILE 84 3HG1 ILE 84 2.732 -11.939 -0.127 644 HG21 ILE 84 1HG2 ILE 84 -0.159 -11.939 -2.070 645 HG22 ILE 84 2HG2 ILE 84 -1.338 -12.272 -0.803 646 HG23 ILE 84 3HG2 ILE 84 -0.870 -10.609 -1.156 647 HD11 ILE 84 1HD1 ILE 84 1.021 -14.153 -0.606 648 HD12 ILE 84 2HD1 ILE 84 2.054 -13.918 -2.017 649 HD13 ILE 84 3HD1 ILE 84 2.774 -14.125 -0.421 650 H VAL 85 H VAL 85 -0.528 -11.468 2.436 651 HA VAL 85 HA VAL 85 -3.035 -10.299 2.084 652 HB VAL 85 HB VAL 85 -3.553 -11.039 4.367 653 HG11 VAL 85 1HG1 VAL 85 -1.927 -13.023 2.781 654 HG12 VAL 85 2HG1 VAL 85 -3.083 -13.429 4.050 655 HG13 VAL 85 3HG1 VAL 85 -3.638 -12.663 2.562 656 HG21 VAL 85 1HG2 VAL 85 -1.917 -11.969 5.826 657 HG22 VAL 85 2HG2 VAL 85 -0.666 -11.872 4.586 658 HG23 VAL 85 3HG2 VAL 85 -1.312 -10.397 5.305 659 H THR 86 H THR 86 -0.179 -9.064 3.575 660 HA THR 86 HA THR 86 -1.423 -7.098 5.222 661 HB THR 86 HB THR 86 1.386 -7.029 4.111 662 HG1 THR 86 HG1 THR 86 1.845 -8.044 6.216 663 HG21 THR 86 1HG2 THR 86 -0.121 -5.418 6.036 664 HG22 THR 86 2HG2 THR 86 1.367 -5.045 5.166 665 HG23 THR 86 3HG2 THR 86 1.428 -5.998 6.649 666 H LEU 87 H LEU 87 0.216 -6.923 2.063 667 HA LEU 87 HA LEU 87 -0.310 -4.178 1.645 668 HB2 LEU 87 2HB LEU 87 0.407 -6.440 -0.195 669 HB3 LEU 87 3HB LEU 87 0.125 -4.807 -0.794 670 HG LEU 87 HG LEU 87 2.160 -5.320 1.345 671 HD11 LEU 87 1HD1 LEU 87 3.666 -5.182 -0.889 672 HD12 LEU 87 2HD1 LEU 87 2.287 -6.103 -1.488 673 HD13 LEU 87 3HD1 LEU 87 3.204 -6.690 -0.102 674 HD21 LEU 87 1HD2 LEU 87 3.190 -3.322 0.303 675 HD22 LEU 87 2HD2 LEU 87 1.576 -3.019 0.948 676 HD23 LEU 87 3HD2 LEU 87 1.809 -3.219 -0.789 677 H LYS 88 H LYS 88 -2.205 -7.035 1.201 678 HA LYS 88 HA LYS 88 -4.065 -5.970 -0.674 679 HB2 LYS 88 2HB LYS 88 -3.681 -8.438 0.780 680 HB3 LYS 88 3HB LYS 88 -5.371 -7.952 0.826 681 HG2 LYS 88 2HG LYS 88 -5.692 -8.474 -1.315 682 HG3 LYS 88 3HG LYS 88 -4.188 -7.701 -1.822 683 HD2 LYS 88 2HD LYS 88 -2.918 -9.634 -1.334 684 HD3 LYS 88 3HD LYS 88 -4.244 -10.367 -0.427 685 HE2 LYS 88 2HE LYS 88 -5.524 -10.652 -2.453 686 HE3 LYS 88 3HE LYS 88 -4.304 -9.787 -3.387 687 HZ1 LYS 88 1HZ LYS 88 -3.000 -11.853 -2.073 688 HZ2 LYS 88 2HZ LYS 88 -3.309 -11.719 -3.731 689 HZ3 LYS 88 3HZ LYS 88 -4.408 -12.527 -2.729 690 H VAL 89 H VAL 89 -4.492 -6.739 2.788 691 HA VAL 89 HA VAL 89 -6.925 -5.484 3.163 692 HB VAL 89 HB VAL 89 -5.992 -6.896 4.881 693 HG11 VAL 89 1HG1 VAL 89 -4.069 -6.365 6.167 694 HG12 VAL 89 2HG1 VAL 89 -3.617 -6.167 4.473 695 HG13 VAL 89 3HG1 VAL 89 -3.964 -4.751 5.467 696 HG21 VAL 89 1HG2 VAL 89 -7.019 -5.808 6.554 697 HG22 VAL 89 2HG2 VAL 89 -5.961 -4.403 6.422 698 HG23 VAL 89 3HG2 VAL 89 -7.342 -4.572 5.338 699 H PHE 90 H PHE 90 -3.673 -4.106 3.314 700 HA PHE 90 HA PHE 90 -4.457 -1.547 4.232 701 HB2 PHE 90 2HB PHE 90 -2.165 -2.193 4.476 702 HB3 PHE 90 3HB PHE 90 -2.005 -2.499 2.749 703 HD1 PHE 90 HD1 PHE 90 -1.712 -0.688 1.186 704 HD2 PHE 90 HD2 PHE 90 -2.151 0.064 5.352 705 HE1 PHE 90 HE1 PHE 90 -0.911 1.614 0.851 706 HE2 PHE 90 HE2 PHE 90 -1.352 2.368 5.024 707 HZ PHE 90 HZ PHE 90 -0.731 3.145 2.771 708 H ALA 91 H ALA 91 -4.112 -2.959 1.031 709 HA ALA 91 HA ALA 91 -4.341 -0.578 -0.461 710 HB1 ALA 91 1HB ALA 91 -4.821 -2.008 -2.357 711 HB2 ALA 91 2HB ALA 91 -3.515 -2.699 -1.394 712 HB3 ALA 91 3HB ALA 91 -5.144 -3.367 -1.280 713 H VAL 92 H VAL 92 -6.788 -3.024 0.396 714 HA VAL 92 HA VAL 92 -8.957 -1.562 -0.727 715 HB VAL 92 HB VAL 92 -9.124 -3.704 1.395 716 HG11 VAL 92 1HG1 VAL 92 -11.236 -3.886 -0.432 717 HG12 VAL 92 2HG1 VAL 92 -11.310 -3.329 1.242 718 HG13 VAL 92 3HG1 VAL 92 -11.070 -2.169 -0.065 719 HG21 VAL 92 1HG2 VAL 92 -9.083 -4.042 -1.602 720 HG22 VAL 92 2HG2 VAL 92 -7.758 -4.452 -0.512 721 HG23 VAL 92 3HG2 VAL 92 -9.289 -5.322 -0.405 722 H ALA 93 H ALA 93 -8.008 -2.180 2.657 723 HA ALA 93 HA ALA 93 -9.932 -0.463 3.797 724 HB1 ALA 93 1HB ALA 93 -8.934 -0.904 5.835 725 HB2 ALA 93 2HB ALA 93 -8.484 -2.322 4.885 726 HB3 ALA 93 3HB ALA 93 -7.319 -1.022 5.137 727 H GLY 94 H GLY 94 -7.089 0.214 2.081 728 HA2 GLY 94 2HA GLY 94 -6.770 2.847 3.346 729 HA3 GLY 94 3HA GLY 94 -5.622 2.087 2.252 730 H LEU 95 H LEU 95 -6.417 1.784 -0.027 731 HA LEU 95 HA LEU 95 -7.128 4.255 -1.127 732 HB2 LEU 95 2HB LEU 95 -7.091 1.466 -2.237 733 HB3 LEU 95 3HB LEU 95 -7.580 2.846 -3.218 734 HG LEU 95 HG LEU 95 -5.300 2.353 -3.712 735 HD11 LEU 95 1HD1 LEU 95 -4.592 4.481 -3.678 736 HD12 LEU 95 2HD1 LEU 95 -4.757 4.617 -1.928 737 HD13 LEU 95 3HD1 LEU 95 -6.170 4.809 -2.964 738 HD21 LEU 95 1HD2 LEU 95 -4.896 1.118 -1.556 739 HD22 LEU 95 2HD2 LEU 95 -4.629 2.687 -0.796 740 HD23 LEU 95 3HD2 LEU 95 -3.571 2.147 -2.100 741 H LEU 96 H LEU 96 -9.070 1.365 -0.487 742 HA LEU 96 HA LEU 96 -11.474 2.682 -1.463 743 HB2 LEU 96 2HB LEU 96 -10.608 -0.021 -1.066 744 HB3 LEU 96 3HB LEU 96 -12.122 0.247 -0.206 745 HG LEU 96 HG LEU 96 -12.560 -0.654 -2.405 746 HD11 LEU 96 1HD1 LEU 96 -14.063 1.084 -3.259 747 HD12 LEU 96 2HD1 LEU 96 -13.283 2.267 -2.210 748 HD13 LEU 96 3HD1 LEU 96 -14.176 0.919 -1.507 749 HD21 LEU 96 1HD2 LEU 96 -11.930 1.414 -4.166 750 HD22 LEU 96 2HD2 LEU 96 -11.166 -0.173 -4.066 751 HD23 LEU 96 3HD2 LEU 96 -10.485 1.192 -3.179 752 H ASN 97 H ASN 97 -9.750 2.657 1.359 753 HA ASN 97 HA ASN 97 -10.200 3.139 3.542 754 HB2 ASN 97 2HB ASN 97 -12.425 4.620 2.134 755 HB3 ASN 97 3HB ASN 97 -12.101 4.787 3.858 756 HD21 ASN 97 1HD2 ASN 97 -11.490 6.039 0.867 757 HD22 ASN 97 2HD2 ASN 97 -10.064 6.946 1.228 758 H MET 98 H MET 98 -11.314 0.658 2.499 759 HA MET 98 HA MET 98 -13.723 0.394 4.167 760 HB2 MET 98 2HB MET 98 -14.025 -0.201 1.798 761 HB3 MET 98 3HB MET 98 -12.739 -1.392 1.933 762 HG2 MET 98 2HG MET 98 -14.389 -2.165 3.943 763 HG3 MET 98 3HG MET 98 -15.541 -1.533 2.770 764 HE1 MET 98 1HE MET 98 -16.408 -4.542 1.211 765 HE2 MET 98 2HE MET 98 -16.715 -2.884 1.727 766 HE3 MET 98 3HE MET 98 -15.964 -3.197 0.161 767 H THR 99 H THR 99 -12.842 0.002 6.161 768 HA THR 99 HA THR 99 -10.628 -1.644 6.683 769 HB THR 99 HB THR 99 -11.308 -0.107 8.378 770 HG1 THR 99 HG1 THR 99 -10.718 -1.529 9.818 771 HG21 THR 99 1HG2 THR 99 -13.460 0.362 8.706 772 HG22 THR 99 2HG2 THR 99 -13.674 -1.223 9.451 773 HG23 THR 99 3HG2 THR 99 -13.935 -1.020 7.719 774 H VAL 100 H VAL 100 -10.474 -3.743 6.264 775 HA VAL 100 HA VAL 100 -12.828 -5.420 6.110 776 HB VAL 100 HB VAL 100 -10.915 -5.616 4.499 777 HG11 VAL 100 1HG1 VAL 100 -9.290 -5.510 6.610 778 HG12 VAL 100 2HG1 VAL 100 -9.418 -7.263 6.453 779 HG13 VAL 100 3HG1 VAL 100 -8.833 -6.296 5.099 780 HG21 VAL 100 1HG2 VAL 100 -11.333 -7.832 4.136 781 HG22 VAL 100 2HG2 VAL 100 -11.164 -8.259 5.838 782 HG23 VAL 100 3HG2 VAL 100 -12.636 -7.470 5.269 783 H SER 101 H SER 101 -13.091 -7.385 7.296 784 HA SER 101 HA SER 101 -12.715 -7.115 10.062 785 HB2 SER 101 2HB SER 101 -13.112 -9.839 9.626 786 HB3 SER 101 3HB SER 101 -14.367 -8.630 9.902 787 HG SER 101 HG SER 101 -14.250 -10.063 7.838 788 H THR 102 H THR 102 -11.057 -9.210 7.714 789 HA THR 102 HA THR 102 -8.725 -9.251 9.485 790 HB THR 102 HB THR 102 -8.424 -11.602 9.383 791 HG1 THR 102 HG1 THR 102 -10.730 -11.783 7.720 792 HG21 THR 102 1HG2 THR 102 -10.340 -12.450 10.549 793 HG22 THR 102 2HG2 THR 102 -11.381 -11.212 9.846 794 HG23 THR 102 3HG2 THR 102 -10.133 -10.761 11.009 795 H ALA 103 H ALA 103 -6.740 -9.737 8.423 796 HA ALA 103 HA ALA 103 -6.357 -8.550 5.963 797 HB1 ALA 103 1HB ALA 103 -4.153 -9.506 5.962 798 HB2 ALA 103 2HB ALA 103 -4.578 -9.064 7.616 799 HB3 ALA 103 3HB ALA 103 -4.647 -10.752 7.109 800 H ALA 104 H ALA 104 -6.986 -11.946 6.699 801 HA ALA 104 HA ALA 104 -6.555 -12.969 4.111 802 HB1 ALA 104 1HB ALA 104 -6.605 -14.554 5.825 803 HB2 ALA 104 2HB ALA 104 -8.131 -13.946 6.469 804 HB3 ALA 104 3HB ALA 104 -8.108 -14.831 4.943 805 H ALA 105 H ALA 105 -9.501 -11.821 5.725 806 HA ALA 105 HA ALA 105 -11.343 -12.429 3.731 807 HB1 ALA 105 1HB ALA 105 -12.556 -10.338 4.703 808 HB2 ALA 105 2HB ALA 105 -12.317 -11.765 5.713 809 HB3 ALA 105 3HB ALA 105 -11.253 -10.370 5.892 810 H ALA 106 H ALA 106 -9.266 -9.592 4.109 811 HA ALA 106 HA ALA 106 -10.343 -8.082 1.987 812 HB1 ALA 106 1HB ALA 106 -7.719 -7.293 2.120 813 HB2 ALA 106 2HB ALA 106 -9.037 -6.654 3.104 814 HB3 ALA 106 3HB ALA 106 -8.012 -7.944 3.734 815 H GLU 107 H GLU 107 -7.577 -10.310 2.123 816 HA GLU 107 HA GLU 107 -6.663 -10.009 -0.482 817 HB2 GLU 107 2HB GLU 107 -5.350 -11.246 1.086 818 HB3 GLU 107 3HB GLU 107 -6.644 -12.407 1.348 819 HG2 GLU 107 2HG GLU 107 -5.935 -12.321 -1.432 820 HG3 GLU 107 3HG GLU 107 -4.506 -12.603 -0.438 821 H ASN 108 H ASN 108 -9.174 -12.163 0.785 822 HA ASN 108 HA ASN 108 -9.697 -13.557 -1.592 823 HB2 ASN 108 2HB ASN 108 -10.611 -13.724 0.969 824 HB3 ASN 108 3HB ASN 108 -12.018 -13.047 0.155 825 HD21 ASN 108 1HD2 ASN 108 -12.125 -15.521 1.297 826 HD22 ASN 108 2HD2 ASN 108 -12.241 -16.729 0.069 827 H MET 109 H MET 109 -11.326 -10.709 -0.205 828 HA MET 109 HA MET 109 -13.200 -10.306 -2.216 829 HB2 MET 109 2HB MET 109 -11.807 -8.375 -0.370 830 HB3 MET 109 3HB MET 109 -13.060 -7.859 -1.491 831 HG2 MET 109 2HG MET 109 -13.571 -10.097 0.421 832 HG3 MET 109 3HG MET 109 -13.682 -8.419 0.950 833 HE1 MET 109 1HE MET 109 -15.462 -10.910 0.818 834 HE2 MET 109 2HE MET 109 -17.034 -10.111 0.759 835 HE3 MET 109 3HE MET 109 -16.496 -11.103 -0.597 836 H TYR 110 H TYR 110 -9.811 -9.406 -2.070 837 HA TYR 110 HA TYR 110 -9.775 -7.644 -4.265 838 HB2 TYR 110 2HB TYR 110 -7.914 -8.616 -2.431 839 HB3 TYR 110 3HB TYR 110 -7.321 -9.174 -3.991 840 HD1 TYR 110 HD1 TYR 110 -5.614 -7.812 -4.730 841 HD2 TYR 110 HD2 TYR 110 -8.992 -6.022 -2.864 842 HE1 TYR 110 HE1 TYR 110 -4.670 -5.584 -5.171 843 HE2 TYR 110 HE2 TYR 110 -8.059 -3.790 -3.301 844 HH TYR 110 HH TYR 110 -5.324 -3.310 -5.351 845 H SER 111 H SER 111 -8.836 -11.081 -4.089 846 HA SER 111 HA SER 111 -8.435 -11.392 -6.861 847 HB2 SER 111 2HB SER 111 -8.832 -13.900 -6.235 848 HB3 SER 111 3HB SER 111 -7.425 -13.059 -5.585 849 HG SER 111 HG SER 111 -8.310 -13.964 -3.830 850 H GLN 112 H GLN 112 -11.234 -12.048 -4.789 851 HA GLN 112 HA GLN 112 -12.870 -13.167 -6.792 852 HB2 GLN 112 2HB GLN 112 -13.456 -11.849 -4.152 853 HB3 GLN 112 3HB GLN 112 -14.750 -12.413 -5.199 854 HG2 GLN 112 2HG GLN 112 -13.801 -14.676 -5.125 855 HG3 GLN 112 3HG GLN 112 -12.546 -14.097 -4.031 856 HE21 GLN 112 1HE2 GLN 112 -14.095 -16.156 -3.244 857 HE22 GLN 112 2HE2 GLN 112 -15.188 -15.656 -2.003 858 H MET 113 H MET 113 -12.133 -9.879 -5.913 859 HA MET 113 HA MET 113 -14.315 -8.653 -7.261 860 HB2 MET 113 2HB MET 113 -13.123 -7.447 -5.537 861 HB3 MET 113 3HB MET 113 -11.617 -7.570 -6.438 862 HG2 MET 113 2HG MET 113 -12.214 -5.946 -7.931 863 HG3 MET 113 3HG MET 113 -13.939 -6.238 -7.727 864 HE1 MET 113 1HE MET 113 -11.272 -3.296 -6.496 865 HE2 MET 113 2HE MET 113 -12.048 -3.840 -7.983 866 HE3 MET 113 3HE MET 113 -12.816 -2.600 -6.990 867 H GLY 114 H GLY 114 -11.300 -9.972 -8.295 868 HA2 GLY 114 2HA GLY 114 -11.128 -10.523 -10.669 869 HA3 GLY 114 3HA GLY 114 -11.842 -8.956 -11.015 870 H LEU 115 H LEU 115 -9.485 -9.170 -8.499 871 HA LEU 115 HA LEU 115 -7.629 -7.629 -10.159 872 HB2 LEU 115 2HB LEU 115 -7.937 -7.976 -7.191 873 HB3 LEU 115 3HB LEU 115 -6.505 -7.233 -7.902 874 HG LEU 115 HG LEU 115 -8.361 -5.699 -9.047 875 HD11 LEU 115 1HD1 LEU 115 -9.634 -6.772 -6.549 876 HD12 LEU 115 2HD1 LEU 115 -10.315 -6.655 -8.171 877 HD13 LEU 115 3HD1 LEU 115 -10.054 -5.195 -7.218 878 HD21 LEU 115 1HD2 LEU 115 -7.914 -4.869 -6.282 879 HD22 LEU 115 2HD2 LEU 115 -7.430 -4.097 -7.793 880 HD23 LEU 115 3HD2 LEU 115 -6.451 -5.397 -7.112 881 H ASP 116 H ASP 116 -8.007 -10.687 -8.625 882 HA ASP 116 HA ASP 116 -5.529 -11.615 -9.785 883 HB2 ASP 116 2HB ASP 116 -5.568 -10.819 -7.064 884 HB3 ASP 116 3HB ASP 116 -5.505 -12.580 -7.085 885 H THR 117 H THR 117 -5.279 -13.987 -9.540 886 HA THR 117 HA THR 117 -7.773 -15.391 -8.915 887 HB THR 117 HB THR 117 -7.050 -16.783 -11.112 888 HG1 THR 117 HG1 THR 117 -6.581 -15.166 -12.739 889 HG21 THR 117 1HG2 THR 117 -9.017 -16.041 -12.027 890 HG22 THR 117 2HG2 THR 117 -8.708 -14.358 -11.599 891 HG23 THR 117 3HG2 THR 117 -9.240 -15.499 -10.364 892 H ARG 118 H ARG 118 -7.436 -17.817 -9.001 893 HA ARG 118 HA ARG 118 -4.682 -18.543 -8.265 894 HB2 ARG 118 2HB ARG 118 -6.236 -18.187 -6.269 895 HB3 ARG 118 3HB ARG 118 -7.098 -19.617 -6.819 896 HG2 ARG 118 2HG ARG 118 -5.349 -21.033 -6.309 897 HG3 ARG 118 3HG ARG 118 -4.150 -19.740 -6.371 898 HD2 ARG 118 2HD ARG 118 -4.587 -20.504 -4.073 899 HD3 ARG 118 3HD ARG 118 -5.001 -18.807 -4.307 900 HE ARG 118 HE ARG 118 -7.183 -19.315 -3.849 901 HH11 ARG 118 1HH1 ARG 118 -5.462 -22.252 -4.582 902 HH12 ARG 118 2HH1 ARG 118 -6.781 -23.288 -4.145 903 HH21 ARG 118 1HH2 ARG 118 -8.926 -20.669 -3.272 904 HH22 ARG 118 2HH2 ARG 118 -8.752 -22.386 -3.402 905 HA PRO 119 HA PRO 119 -6.477 -21.418 -11.455 906 HB2 PRO 119 2HB PRO 119 -4.313 -21.340 -13.093 907 HB3 PRO 119 3HB PRO 119 -5.633 -20.168 -13.189 908 HG2 PRO 119 2HG PRO 119 -2.959 -19.905 -11.870 909 HG3 PRO 119 3HG PRO 119 -3.835 -18.729 -12.864 910 HD2 PRO 119 2HD PRO 119 -3.793 -18.605 -10.160 911 HD3 PRO 119 3HD PRO 119 -5.189 -18.072 -11.119 912 H21 MYR 201 1H2 MYR 1 4.745 11.841 0.312 913 H22 MYR 201 2H2 MYR 1 5.708 11.033 -0.908 914 H31 MYR 201 1H3 MYR 1 3.828 10.063 -1.919 915 H32 MYR 201 2H3 MYR 1 2.900 11.562 -1.843 916 H41 MYR 201 1H4 MYR 1 1.657 10.316 -0.306 917 H42 MYR 201 2H4 MYR 1 2.828 11.011 0.819 918 H51 MYR 201 1H5 MYR 1 4.071 8.620 -0.261 919 H52 MYR 201 2H5 MYR 1 2.399 8.183 0.097 920 H61 MYR 201 1H6 MYR 1 3.113 9.681 2.386 921 H62 MYR 201 2H6 MYR 1 4.636 8.888 1.980 922 H71 MYR 201 1H7 MYR 1 1.920 7.470 2.413 923 H72 MYR 201 2H7 MYR 1 3.267 7.491 3.555 924 H81 MYR 201 1H8 MYR 1 4.028 5.571 2.562 925 H82 MYR 201 2H8 MYR 1 4.490 6.551 1.169 926 H91 MYR 201 1H9 MYR 1 2.589 5.938 -0.097 927 H92 MYR 201 2H9 MYR 1 1.569 5.699 1.321 928 H101 MYR 201 1H10 MYR 1 3.344 3.684 1.810 929 H102 MYR 201 2H10 MYR 1 3.595 3.770 0.075 930 H111 MYR 201 1H11 MYR 1 0.732 3.785 0.406 931 H112 MYR 201 2H11 MYR 1 1.320 2.684 1.641 932 H121 MYR 201 1H12 MYR 1 2.415 2.350 -1.193 933 H122 MYR 201 2H12 MYR 1 0.771 1.805 -0.857 934 H131 MYR 201 1H13 MYR 1 2.620 0.899 1.287 935 H132 MYR 201 2H13 MYR 1 3.212 0.394 -0.297 936 H141 MYR 201 1H14 MYR 1 1.464 -1.140 -0.597 937 H142 MYR 201 2H14 MYR 1 1.265 -0.985 1.164 938 H143 MYR 201 3H14 MYR 1 0.237 -0.032 0.070 Start of MODEL 16 1 H GLY 2 H GLY 2 8.259 14.076 2.979 2 HA2 GLY 2 2HA GLY 2 10.403 12.986 4.667 3 HA3 GLY 2 3HA GLY 2 10.454 14.513 3.799 4 H ASN 3 H ASN 3 8.269 15.841 4.561 5 HA ASN 3 HA ASN 3 8.375 15.891 7.504 6 HB2 ASN 3 2HB ASN 3 8.292 18.327 5.710 7 HB3 ASN 3 3HB ASN 3 8.385 18.320 7.469 8 HD21 ASN 3 1HD2 ASN 3 10.307 17.323 8.422 9 HD22 ASN 3 2HD2 ASN 3 11.814 17.474 7.589 10 H GLY 4 H GLY 4 6.522 17.109 8.475 11 HA2 GLY 4 2HA GLY 4 4.277 17.668 8.607 12 HA3 GLY 4 3HA GLY 4 4.151 17.437 6.870 13 H GLN 5 H GLN 5 2.175 16.329 7.128 14 HA GLN 5 HA GLN 5 2.496 13.503 7.541 15 HB2 GLN 5 2HB GLN 5 0.590 13.402 9.204 16 HB3 GLN 5 3HB GLN 5 2.120 14.008 9.825 17 HG2 GLN 5 2HG GLN 5 0.102 15.947 8.812 18 HG3 GLN 5 3HG GLN 5 -0.134 15.202 10.393 19 HE21 GLN 5 1HE2 GLN 5 0.287 17.960 9.903 20 HE22 GLN 5 2HE2 GLN 5 1.768 18.410 10.671 21 H GLY 6 H GLY 6 0.788 12.273 6.674 22 HA2 GLY 6 2HA GLY 6 -1.020 13.849 4.958 23 HA3 GLY 6 3HA GLY 6 -0.446 12.230 4.592 24 H ARG 7 H ARG 7 -3.182 13.571 5.015 25 HA ARG 7 HA ARG 7 -4.352 12.355 7.291 26 HB2 ARG 7 2HB ARG 7 -5.457 13.577 4.777 27 HB3 ARG 7 3HB ARG 7 -6.517 12.783 5.935 28 HG2 ARG 7 2HG ARG 7 -4.641 14.804 7.004 29 HG3 ARG 7 3HG ARG 7 -5.980 15.387 6.014 30 HD2 ARG 7 2HD ARG 7 -7.588 14.443 7.470 31 HD3 ARG 7 3HD ARG 7 -6.368 13.494 8.317 32 HE ARG 7 HE ARG 7 -5.609 16.089 8.701 33 HH11 ARG 7 1HH1 ARG 7 -8.502 14.249 9.304 34 HH12 ARG 7 2HH1 ARG 7 -8.973 15.193 10.678 35 HH21 ARG 7 1HH2 ARG 7 -6.217 17.338 10.510 36 HH22 ARG 7 2HH2 ARG 7 -7.672 16.950 11.364 37 H ASP 8 H ASP 8 -4.650 11.541 3.828 38 HA ASP 8 HA ASP 8 -6.062 9.160 4.163 39 HB2 ASP 8 2HB ASP 8 -4.598 10.481 2.007 40 HB3 ASP 8 3HB ASP 8 -4.538 8.724 1.898 41 H TRP 9 H TRP 9 -2.731 9.876 4.678 42 HA TRP 9 HA TRP 9 -1.753 7.200 4.457 43 HB2 TRP 9 2HB TRP 9 -0.190 8.997 4.161 44 HB3 TRP 9 3HB TRP 9 -0.605 9.689 5.726 45 HD1 TRP 9 HD1 TRP 9 1.174 9.236 7.493 46 HE1 TRP 9 HE1 TRP 9 2.895 7.380 7.958 47 HE3 TRP 9 HE3 TRP 9 0.063 6.105 3.607 48 HZ2 TRP 9 HZ2 TRP 9 3.678 4.914 6.828 49 HZ3 TRP 9 HZ3 TRP 9 1.345 4.018 3.370 50 HH2 TRP 9 HH2 TRP 9 3.115 3.437 4.947 51 H LYS 10 H LYS 10 -2.001 9.304 7.329 52 HA LYS 10 HA LYS 10 -1.729 7.225 9.194 53 HB2 LYS 10 2HB LYS 10 -2.137 10.048 9.246 54 HB3 LYS 10 3HB LYS 10 -3.304 9.307 10.335 55 HG2 LYS 10 2HG LYS 10 -1.480 8.147 11.487 56 HG3 LYS 10 3HG LYS 10 -0.317 8.919 10.407 57 HD2 LYS 10 2HD LYS 10 -0.451 10.904 11.476 58 HD3 LYS 10 3HD LYS 10 -2.184 10.745 11.771 59 HE2 LYS 10 2HE LYS 10 -1.456 8.907 13.460 60 HE3 LYS 10 3HE LYS 10 0.119 9.694 13.367 61 HZ1 LYS 10 1HZ LYS 10 -1.487 10.459 15.170 62 HZ2 LYS 10 2HZ LYS 10 -2.336 11.238 13.931 63 HZ3 LYS 10 3HZ LYS 10 -0.727 11.658 14.248 64 H MET 11 H MET 11 -4.543 8.578 7.594 65 HA MET 11 HA MET 11 -6.497 7.335 9.228 66 HB2 MET 11 2HB MET 11 -6.815 9.286 7.610 67 HB3 MET 11 3HB MET 11 -6.868 8.079 6.331 68 HG2 MET 11 2HG MET 11 -8.894 7.258 6.994 69 HG3 MET 11 3HG MET 11 -8.666 7.746 8.672 70 HE1 MET 11 1HE MET 11 -10.624 9.111 5.277 71 HE2 MET 11 2HE MET 11 -9.528 10.488 5.166 72 HE3 MET 11 3HE MET 11 -8.885 8.845 5.152 73 H ALA 12 H ALA 12 -4.883 6.388 6.230 74 HA ALA 12 HA ALA 12 -6.403 4.093 5.681 75 HB1 ALA 12 1HB ALA 12 -5.002 4.984 3.977 76 HB2 ALA 12 2HB ALA 12 -3.562 4.800 4.980 77 HB3 ALA 12 3HB ALA 12 -4.396 3.373 4.364 78 H ILE 13 H ILE 13 -3.387 4.497 7.515 79 HA ILE 13 HA ILE 13 -3.229 1.713 8.195 80 HB ILE 13 HB ILE 13 -1.748 4.076 9.355 81 HG12 ILE 13 2HG1 ILE 13 -0.950 2.062 7.242 82 HG13 ILE 13 3HG1 ILE 13 -1.316 3.762 6.965 83 HG21 ILE 13 1HG2 ILE 13 -1.211 1.120 9.611 84 HG22 ILE 13 2HG2 ILE 13 -0.164 2.408 10.204 85 HG23 ILE 13 3HG2 ILE 13 -1.773 2.193 10.893 86 HD11 ILE 13 1HD1 ILE 13 0.611 4.391 8.326 87 HD12 ILE 13 2HD1 ILE 13 0.979 2.686 8.585 88 HD13 ILE 13 3HD1 ILE 13 1.073 3.372 6.964 89 H LYS 14 H LYS 14 -4.684 4.540 9.569 90 HA LYS 14 HA LYS 14 -4.890 3.715 12.250 91 HB2 LYS 14 2HB LYS 14 -5.316 6.004 11.706 92 HB3 LYS 14 3HB LYS 14 -6.590 5.563 10.577 93 HG2 LYS 14 2HG LYS 14 -8.136 5.419 12.187 94 HG3 LYS 14 3HG LYS 14 -7.033 4.627 13.314 95 HD2 LYS 14 2HD LYS 14 -7.660 6.768 14.215 96 HD3 LYS 14 3HD LYS 14 -5.963 6.829 13.731 97 HE2 LYS 14 2HE LYS 14 -7.471 7.602 11.483 98 HE3 LYS 14 3HE LYS 14 -8.158 8.456 12.864 99 HZ1 LYS 14 1HZ LYS 14 -6.124 9.472 13.333 100 HZ2 LYS 14 2HZ LYS 14 -6.252 9.568 11.650 101 HZ3 LYS 14 3HZ LYS 14 -5.244 8.407 12.357 102 H ARG 15 H ARG 15 -7.157 3.373 9.530 103 HA ARG 15 HA ARG 15 -8.982 1.787 11.103 104 HB2 ARG 15 2HB ARG 15 -10.279 1.610 9.029 105 HB3 ARG 15 3HB ARG 15 -9.842 3.280 9.371 106 HG2 ARG 15 2HG ARG 15 -7.894 2.943 7.782 107 HG3 ARG 15 3HG ARG 15 -8.692 1.446 7.294 108 HD2 ARG 15 2HD ARG 15 -9.236 3.339 5.812 109 HD3 ARG 15 3HD ARG 15 -10.658 2.672 6.612 110 HE ARG 15 HE ARG 15 -9.471 4.916 7.975 111 HH11 ARG 15 1HH1 ARG 15 -11.762 3.886 5.564 112 HH12 ARG 15 2HH1 ARG 15 -12.717 5.328 5.668 113 HH21 ARG 15 1HH2 ARG 15 -10.720 6.819 8.120 114 HH22 ARG 15 2HH2 ARG 15 -12.123 6.996 7.122 115 H CYS 16 H CYS 16 -6.566 1.235 8.596 116 HA CYS 16 HA CYS 16 -7.113 -1.437 8.023 117 HB2 CYS 16 2HB CYS 16 -5.557 -0.085 6.701 118 HB3 CYS 16 3HB CYS 16 -4.437 -0.025 8.057 119 HG CYS 16 HG CYS 16 -3.247 -2.273 7.617 120 H SER 17 H SER 17 -5.431 0.020 10.717 121 HA SER 17 HA SER 17 -4.121 -2.268 11.694 122 HB2 SER 17 2HB SER 17 -3.857 -1.050 13.757 123 HB3 SER 17 3HB SER 17 -3.691 0.096 12.428 124 HG SER 17 HG SER 17 -5.120 1.133 13.614 125 H ASN 18 H ASN 18 -7.388 -1.051 12.136 126 HA ASN 18 HA ASN 18 -8.196 -2.669 14.263 127 HB2 ASN 18 2HB ASN 18 -9.397 -0.775 12.653 128 HB3 ASN 18 3HB ASN 18 -10.275 -2.247 12.248 129 HD21 ASN 18 1HD2 ASN 18 -9.437 -0.015 14.789 130 HD22 ASN 18 2HD2 ASN 18 -10.674 -0.499 15.893 131 H VAL 19 H VAL 19 -7.635 -3.425 10.937 132 HA VAL 19 HA VAL 19 -9.225 -5.678 10.580 133 HB VAL 19 HB VAL 19 -6.450 -5.193 9.488 134 HG11 VAL 19 1HG1 VAL 19 -7.445 -6.677 7.608 135 HG12 VAL 19 2HG1 VAL 19 -6.821 -7.441 9.072 136 HG13 VAL 19 3HG1 VAL 19 -8.558 -7.220 8.863 137 HG21 VAL 19 1HG2 VAL 19 -7.552 -4.269 7.550 138 HG22 VAL 19 2HG2 VAL 19 -9.136 -4.612 8.243 139 HG23 VAL 19 3HG2 VAL 19 -8.089 -3.405 8.990 140 H ALA 20 H ALA 20 -9.074 -7.792 11.135 141 HA ALA 20 HA ALA 20 -7.203 -8.470 13.248 142 HB1 ALA 20 1HB ALA 20 -8.689 -10.736 12.721 143 HB2 ALA 20 2HB ALA 20 -9.043 -9.517 13.946 144 HB3 ALA 20 3HB ALA 20 -9.800 -9.415 12.357 145 H VAL 21 H VAL 21 -5.208 -8.725 12.297 146 HA VAL 21 HA VAL 21 -4.663 -10.040 9.892 147 HB VAL 21 HB VAL 21 -2.813 -9.961 12.275 148 HG11 VAL 21 1HG1 VAL 21 -1.938 -9.684 9.444 149 HG12 VAL 21 2HG1 VAL 21 -1.090 -10.379 10.827 150 HG13 VAL 21 3HG1 VAL 21 -2.381 -11.285 10.037 151 HG21 VAL 21 1HG2 VAL 21 -2.934 -7.739 12.171 152 HG22 VAL 21 2HG2 VAL 21 -2.154 -7.853 10.593 153 HG23 VAL 21 3HG2 VAL 21 -3.913 -7.789 10.705 154 H GLY 22 H GLY 22 -5.032 -11.279 13.167 155 HA2 GLY 22 2HA GLY 22 -4.117 -13.922 12.528 156 HA3 GLY 22 3HA GLY 22 -4.933 -13.428 14.005 157 H VAL 23 H VAL 23 -7.093 -12.255 12.150 158 HA VAL 23 HA VAL 23 -9.119 -12.891 11.329 159 HB VAL 23 HB VAL 23 -7.832 -15.541 10.670 160 HG11 VAL 23 1HG1 VAL 23 -10.335 -14.141 9.835 161 HG12 VAL 23 2HG1 VAL 23 -9.540 -15.257 8.723 162 HG13 VAL 23 3HG1 VAL 23 -10.091 -15.825 10.299 163 HG21 VAL 23 1HG2 VAL 23 -6.466 -14.409 9.322 164 HG22 VAL 23 2HG2 VAL 23 -7.891 -14.012 8.360 165 HG23 VAL 23 3HG2 VAL 23 -7.325 -12.894 9.602 166 H GLY 24 H GLY 24 -9.716 -12.848 13.649 167 HA2 GLY 24 2HA GLY 24 -11.171 -13.780 15.199 168 HA3 GLY 24 3HA GLY 24 -11.058 -15.308 14.341 169 H GLY 25 H GLY 25 -11.099 -15.691 16.892 170 HA2 GLY 25 2HA GLY 25 -9.957 -16.694 18.613 171 HA3 GLY 25 3HA GLY 25 -8.593 -16.844 17.515 172 H LYS 26 H LYS 26 -6.839 -15.641 17.887 173 HA LYS 26 HA LYS 26 -6.630 -14.099 20.245 174 HB2 LYS 26 2HB LYS 26 -4.825 -14.518 17.876 175 HB3 LYS 26 3HB LYS 26 -4.392 -13.399 19.162 176 HG2 LYS 26 2HG LYS 26 -5.096 -16.266 19.707 177 HG3 LYS 26 3HG LYS 26 -3.455 -15.752 19.305 178 HD2 LYS 26 2HD LYS 26 -4.907 -14.310 21.469 179 HD3 LYS 26 3HD LYS 26 -4.268 -15.920 21.810 180 HE2 LYS 26 2HE LYS 26 -2.374 -14.826 22.311 181 HE3 LYS 26 3HE LYS 26 -2.152 -14.751 20.564 182 HZ1 LYS 26 1HZ LYS 26 -1.888 -12.588 21.711 183 HZ2 LYS 26 2HZ LYS 26 -3.520 -12.649 22.152 184 HZ3 LYS 26 3HZ LYS 26 -3.088 -12.572 20.518 185 H SER 27 H SER 27 -5.630 -11.818 20.147 186 HA SER 27 HA SER 27 -7.340 -10.190 18.394 187 HB2 SER 27 2HB SER 27 -7.460 -10.025 20.974 188 HB3 SER 27 3HB SER 27 -5.928 -9.162 20.847 189 HG SER 27 HG SER 27 -8.073 -8.374 19.223 190 H LYS 28 H LYS 28 -5.455 -10.889 16.860 191 HA LYS 28 HA LYS 28 -3.138 -9.129 17.125 192 HB2 LYS 28 2HB LYS 28 -3.788 -11.441 15.307 193 HB3 LYS 28 3HB LYS 28 -2.416 -10.383 15.004 194 HG2 LYS 28 2HG LYS 28 -2.572 -11.438 17.736 195 HG3 LYS 28 3HG LYS 28 -2.322 -12.650 16.478 196 HD2 LYS 28 2HD LYS 28 -0.219 -11.974 16.098 197 HD3 LYS 28 3HD LYS 28 -0.667 -10.268 16.142 198 HE2 LYS 28 2HE LYS 28 0.878 -10.738 17.933 199 HE3 LYS 28 3HE LYS 28 -0.710 -10.379 18.609 200 HZ1 LYS 28 1HZ LYS 28 0.507 -13.066 18.270 201 HZ2 LYS 28 2HZ LYS 28 -1.082 -12.797 18.785 202 HZ3 LYS 28 3HZ LYS 28 0.215 -12.262 19.730 203 H LYS 29 H LYS 29 -3.927 -7.104 16.640 204 HA LYS 29 HA LYS 29 -5.340 -6.713 14.117 205 HB2 LYS 29 2HB LYS 29 -5.123 -5.267 16.645 206 HB3 LYS 29 3HB LYS 29 -4.970 -4.214 15.245 207 HG2 LYS 29 2HG LYS 29 -7.099 -4.947 14.398 208 HG3 LYS 29 3HG LYS 29 -7.240 -6.141 15.691 209 HD2 LYS 29 2HD LYS 29 -6.979 -3.192 16.227 210 HD3 LYS 29 3HD LYS 29 -8.540 -3.982 15.994 211 HE2 LYS 29 2HE LYS 29 -7.363 -5.620 17.822 212 HE3 LYS 29 3HE LYS 29 -6.704 -4.050 18.284 213 HZ1 LYS 29 1HZ LYS 29 -8.610 -3.637 19.301 214 HZ2 LYS 29 2HZ LYS 29 -9.287 -5.084 18.746 215 HZ3 LYS 29 3HZ LYS 29 -9.413 -3.680 17.812 216 H PHE 30 H PHE 30 -4.609 -5.281 12.501 217 HA PHE 30 HA PHE 30 -1.833 -5.408 11.975 218 HB2 PHE 30 2HB PHE 30 -4.226 -4.509 10.602 219 HB3 PHE 30 3HB PHE 30 -2.874 -3.419 10.313 220 HD1 PHE 30 HD1 PHE 30 -0.562 -4.979 10.061 221 HD2 PHE 30 HD2 PHE 30 -4.527 -5.975 8.875 222 HE1 PHE 30 HE1 PHE 30 0.336 -6.537 8.381 223 HE2 PHE 30 HE2 PHE 30 -3.635 -7.534 7.194 224 HZ PHE 30 HZ PHE 30 -1.202 -7.818 6.945 225 H GLY 31 H GLY 31 -0.856 -3.143 11.081 226 HA2 GLY 31 2HA GLY 31 -1.354 -0.781 12.494 227 HA3 GLY 31 3HA GLY 31 -0.163 -1.700 13.404 228 H GLU 32 H GLU 32 0.545 0.742 12.488 229 HA GLU 32 HA GLU 32 1.627 0.937 9.938 230 HB2 GLU 32 2HB GLU 32 2.960 2.747 10.769 231 HB3 GLU 32 3HB GLU 32 1.406 2.800 11.591 232 HG2 GLU 32 2HG GLU 32 2.870 1.269 13.295 233 HG3 GLU 32 3HG GLU 32 4.092 2.370 12.663 234 H GLY 33 H GLY 33 2.831 -0.703 12.774 235 HA2 GLY 33 2HA GLY 33 5.516 -1.024 11.900 236 HA3 GLY 33 3HA GLY 33 4.712 -1.974 13.140 237 H ASN 34 H ASN 34 2.862 -3.407 12.019 238 HA ASN 34 HA ASN 34 4.227 -5.392 10.580 239 HB2 ASN 34 2HB ASN 34 1.253 -4.927 10.896 240 HB3 ASN 34 3HB ASN 34 1.971 -6.398 10.247 241 HD21 ASN 34 1HD2 ASN 34 0.431 -6.875 12.252 242 HD22 ASN 34 2HD2 ASN 34 1.292 -7.144 13.724 243 H PHE 35 H PHE 35 2.018 -2.840 9.524 244 HA PHE 35 HA PHE 35 1.714 -3.592 6.864 245 HB2 PHE 35 2HB PHE 35 0.348 -1.839 7.781 246 HB3 PHE 35 3HB PHE 35 1.762 -0.848 8.126 247 HD1 PHE 35 HD1 PHE 35 0.860 -2.731 5.048 248 HD2 PHE 35 HD2 PHE 35 1.504 1.069 6.856 249 HE1 PHE 35 HE1 PHE 35 0.631 -1.650 2.850 250 HE2 PHE 35 HE2 PHE 35 1.276 2.156 4.662 251 HZ PHE 35 HZ PHE 35 0.838 0.796 2.655 252 H ARG 36 H ARG 36 4.175 -1.495 8.338 253 HA ARG 36 HA ARG 36 5.552 -0.894 5.957 254 HB2 ARG 36 2HB ARG 36 6.426 -0.919 8.845 255 HB3 ARG 36 3HB ARG 36 7.478 -0.392 7.537 256 HG2 ARG 36 2HG ARG 36 4.891 0.907 7.436 257 HG3 ARG 36 3HG ARG 36 5.717 1.176 8.972 258 HD2 ARG 36 2HD ARG 36 6.450 2.925 7.601 259 HD3 ARG 36 3HD ARG 36 7.767 1.754 7.563 260 HE ARG 36 HE ARG 36 5.920 1.370 5.422 261 HH11 ARG 36 1HH1 ARG 36 8.630 3.278 6.488 262 HH12 ARG 36 2HH1 ARG 36 9.158 3.661 4.883 263 HH21 ARG 36 1HH2 ARG 36 6.605 1.868 3.304 264 HH22 ARG 36 2HH2 ARG 36 8.005 2.860 3.073 265 H TRP 37 H TRP 37 6.017 -3.449 8.368 266 HA TRP 37 HA TRP 37 8.369 -4.562 7.433 267 HB2 TRP 37 2HB TRP 37 7.441 -5.340 9.496 268 HB3 TRP 37 3HB TRP 37 5.960 -5.867 8.702 269 HD1 TRP 37 HD1 TRP 37 9.505 -6.978 9.455 270 HE1 TRP 37 HE1 TRP 37 9.790 -9.433 8.736 271 HE3 TRP 37 HE3 TRP 37 5.101 -7.602 6.934 272 HZ2 TRP 37 HZ2 TRP 37 8.341 -11.377 7.292 273 HZ3 TRP 37 HZ3 TRP 37 4.628 -9.791 5.913 274 HH2 TRP 37 HH2 TRP 37 6.215 -11.637 6.088 275 H ALA 38 H ALA 38 5.053 -5.138 6.336 276 HA ALA 38 HA ALA 38 5.728 -7.169 4.467 277 HB1 ALA 38 1HB ALA 38 3.308 -5.380 4.658 278 HB2 ALA 38 2HB ALA 38 3.458 -6.749 3.555 279 HB3 ALA 38 3HB ALA 38 3.478 -7.014 5.299 280 H ILE 39 H ILE 39 5.352 -3.665 4.245 281 HA ILE 39 HA ILE 39 5.501 -3.442 1.447 282 HB ILE 39 HB ILE 39 6.378 -1.452 3.543 283 HG12 ILE 39 2HG1 ILE 39 3.827 -1.255 2.002 284 HG13 ILE 39 3HG1 ILE 39 3.906 -2.384 3.350 285 HG21 ILE 39 1HG2 ILE 39 5.474 -0.183 1.191 286 HG22 ILE 39 2HG2 ILE 39 7.098 -0.180 1.876 287 HG23 ILE 39 3HG2 ILE 39 6.637 -1.414 0.704 288 HD11 ILE 39 1HD1 ILE 39 3.444 -0.710 4.711 289 HD12 ILE 39 2HD1 ILE 39 4.985 0.033 4.279 290 HD13 ILE 39 3HD1 ILE 39 3.525 0.442 3.379 291 H ARG 40 H ARG 40 8.056 -2.993 3.897 292 HA ARG 40 HA ARG 40 10.174 -2.585 2.137 293 HB2 ARG 40 2HB ARG 40 9.876 -2.734 4.878 294 HB3 ARG 40 3HB ARG 40 10.909 -4.111 4.520 295 HG2 ARG 40 2HG ARG 40 12.265 -2.195 5.035 296 HG3 ARG 40 3HG ARG 40 12.455 -2.607 3.329 297 HD2 ARG 40 2HD ARG 40 11.611 -0.649 2.652 298 HD3 ARG 40 3HD ARG 40 10.293 -0.716 3.821 299 HE ARG 40 HE ARG 40 12.780 0.682 4.100 300 HH11 ARG 40 1HH1 ARG 40 10.179 -0.864 5.822 301 HH12 ARG 40 2HH1 ARG 40 10.420 0.054 7.271 302 HH21 ARG 40 1HH2 ARG 40 13.106 1.897 6.003 303 HH22 ARG 40 2HH2 ARG 40 12.084 1.625 7.373 304 H MET 41 H MET 41 8.917 -5.604 3.509 305 HA MET 41 HA MET 41 10.861 -7.303 2.371 306 HB2 MET 41 2HB MET 41 9.320 -7.905 4.249 307 HB3 MET 41 3HB MET 41 8.009 -8.008 3.082 308 HG2 MET 41 2HG MET 41 8.552 -10.096 2.624 309 HG3 MET 41 3HG MET 41 10.167 -9.589 2.136 310 HE1 MET 41 1HE MET 41 12.466 -10.830 4.598 311 HE2 MET 41 2HE MET 41 11.751 -11.780 3.296 312 HE3 MET 41 3HE MET 41 12.087 -10.065 3.054 313 H ALA 42 H ALA 42 7.487 -6.711 1.365 314 HA ALA 42 HA ALA 42 7.553 -8.166 -1.002 315 HB1 ALA 42 1HB ALA 42 5.589 -6.981 0.245 316 HB2 ALA 42 2HB ALA 42 5.959 -5.649 -0.851 317 HB3 ALA 42 3HB ALA 42 5.513 -7.227 -1.501 318 H ASN 43 H ASN 43 8.901 -5.068 -0.255 319 HA ASN 43 HA ASN 43 9.135 -4.128 -2.941 320 HB2 ASN 43 2HB ASN 43 10.343 -3.305 -0.314 321 HB3 ASN 43 3HB ASN 43 10.894 -2.584 -1.823 322 HD21 ASN 43 1HD2 ASN 43 10.030 -0.723 -0.424 323 HD22 ASN 43 2HD2 ASN 43 8.391 -0.268 -0.725 324 H VAL 44 H VAL 44 11.678 -5.125 -0.641 325 HA VAL 44 HA VAL 44 13.701 -5.382 -2.562 326 HB VAL 44 HB VAL 44 13.475 -6.840 0.075 327 HG11 VAL 44 1HG1 VAL 44 15.238 -7.920 -0.873 328 HG12 VAL 44 2HG1 VAL 44 15.626 -6.576 -1.949 329 HG13 VAL 44 3HG1 VAL 44 16.094 -6.510 -0.249 330 HG21 VAL 44 1HG2 VAL 44 15.185 -4.857 0.584 331 HG22 VAL 44 2HG2 VAL 44 14.203 -4.061 -0.646 332 HG23 VAL 44 3HG2 VAL 44 13.445 -4.692 0.815 333 H SER 45 H SER 45 11.462 -7.774 -1.214 334 HA SER 45 HA SER 45 12.522 -10.068 -2.375 335 HB2 SER 45 2HB SER 45 9.728 -9.305 -1.559 336 HB3 SER 45 3HB SER 45 10.064 -10.874 -2.289 337 HG SER 45 HG SER 45 11.753 -11.005 -0.567 338 H THR 46 H THR 46 10.748 -7.467 -3.795 339 HA THR 46 HA THR 46 10.347 -8.986 -6.274 340 HB THR 46 HB THR 46 8.953 -7.057 -6.995 341 HG1 THR 46 HG1 THR 46 9.346 -6.154 -4.317 342 HG21 THR 46 1HG2 THR 46 8.352 -8.680 -4.574 343 HG22 THR 46 2HG2 THR 46 7.579 -8.688 -6.159 344 HG23 THR 46 3HG2 THR 46 7.227 -7.395 -5.012 345 H GLY 47 H GLY 47 12.329 -6.580 -4.854 346 HA2 GLY 47 2HA GLY 47 14.236 -5.580 -5.694 347 HA3 GLY 47 3HA GLY 47 13.956 -6.418 -7.212 348 H ARG 48 H ARG 48 11.624 -4.309 -5.645 349 HA ARG 48 HA ARG 48 11.583 -2.644 -8.031 350 HB2 ARG 48 2HB ARG 48 9.561 -3.595 -6.551 351 HB3 ARG 48 3HB ARG 48 9.804 -2.061 -5.726 352 HG2 ARG 48 2HG ARG 48 8.990 -0.853 -7.442 353 HG3 ARG 48 3HG ARG 48 9.684 -1.922 -8.663 354 HD2 ARG 48 2HD ARG 48 7.511 -3.061 -7.026 355 HD3 ARG 48 3HD ARG 48 7.048 -1.767 -8.129 356 HE ARG 48 HE ARG 48 8.651 -3.815 -9.354 357 HH11 ARG 48 1HH1 ARG 48 5.424 -2.833 -8.491 358 HH12 ARG 48 2HH1 ARG 48 4.663 -3.808 -9.705 359 HH21 ARG 48 1HH2 ARG 48 7.661 -5.101 -10.955 360 HH22 ARG 48 2HH2 ARG 48 5.936 -5.098 -11.105 361 H GLU 49 H GLU 49 13.936 -2.277 -6.746 362 HA GLU 49 HA GLU 49 15.323 -0.656 -5.955 363 HB2 GLU 49 2HB GLU 49 13.029 0.794 -7.045 364 HB3 GLU 49 3HB GLU 49 13.870 1.685 -5.784 365 HG2 GLU 49 2HG GLU 49 15.360 2.317 -7.284 366 HG3 GLU 49 3HG GLU 49 15.866 0.636 -7.445 367 HA PRO 50 HA PRO 50 14.705 -0.294 -1.628 368 HB2 PRO 50 2HB PRO 50 16.126 1.936 -1.017 369 HB3 PRO 50 3HB PRO 50 16.887 0.408 -1.471 370 HG2 PRO 50 2HG PRO 50 16.366 2.834 -3.144 371 HG3 PRO 50 3HG PRO 50 17.815 1.813 -3.074 372 HD2 PRO 50 2HD PRO 50 15.968 1.589 -5.042 373 HD3 PRO 50 3HD PRO 50 16.898 0.201 -4.442 374 H GLY 51 H GLY 51 14.396 2.885 -3.226 375 HA2 GLY 51 2HA GLY 51 12.501 3.768 -1.210 376 HA3 GLY 51 3HA GLY 51 13.112 4.718 -2.556 377 H ASP 52 H ASP 52 11.076 1.858 -1.947 378 HA ASP 52 HA ASP 52 9.417 2.651 -4.241 379 HB2 ASP 52 2HB ASP 52 10.487 0.197 -3.622 380 HB3 ASP 52 3HB ASP 52 8.848 0.056 -2.993 381 H ILE 53 H ILE 53 8.014 4.127 -3.407 382 HA ILE 53 HA ILE 53 6.298 3.205 -1.193 383 HB ILE 53 HB ILE 53 6.889 6.091 -1.842 384 HG12 ILE 53 2HG1 ILE 53 8.081 4.367 0.342 385 HG13 ILE 53 3HG1 ILE 53 8.936 4.926 -1.092 386 HG21 ILE 53 1HG2 ILE 53 6.093 5.725 0.829 387 HG22 ILE 53 2HG2 ILE 53 5.189 6.493 -0.475 388 HG23 ILE 53 3HG2 ILE 53 4.988 4.770 -0.158 389 HD11 ILE 53 1HD1 ILE 53 9.605 6.608 0.202 390 HD12 ILE 53 2HD1 ILE 53 7.983 7.258 -0.038 391 HD13 ILE 53 3HD1 ILE 53 8.348 6.307 1.402 392 HA PRO 54 HA PRO 54 3.698 3.767 -4.999 393 HB2 PRO 54 2HB PRO 54 2.294 1.468 -4.659 394 HB3 PRO 54 3HB PRO 54 3.840 1.532 -5.513 395 HG2 PRO 54 2HG PRO 54 3.268 0.712 -2.692 396 HG3 PRO 54 3HG PRO 54 4.344 -0.045 -3.880 397 HD2 PRO 54 2HD PRO 54 5.256 1.572 -1.908 398 HD3 PRO 54 3HD PRO 54 6.036 1.474 -3.500 399 H GLU 55 H GLU 55 1.634 4.564 -5.045 400 HA GLU 55 HA GLU 55 -0.019 4.318 -2.640 401 HB2 GLU 55 2HB GLU 55 0.384 6.985 -3.982 402 HB3 GLU 55 3HB GLU 55 -0.401 6.652 -2.445 403 HG2 GLU 55 2HG GLU 55 1.545 7.323 -1.576 404 HG3 GLU 55 3HG GLU 55 2.072 5.684 -1.957 405 H THR 56 H THR 56 -0.488 2.896 -4.889 406 HA THR 56 HA THR 56 -2.995 4.063 -5.818 407 HB THR 56 HB THR 56 -2.587 3.684 -8.143 408 HG1 THR 56 HG1 THR 56 -1.154 2.256 -8.735 409 HG21 THR 56 1HG2 THR 56 -0.235 5.088 -6.872 410 HG22 THR 56 2HG2 THR 56 -1.764 5.817 -7.361 411 HG23 THR 56 3HG2 THR 56 -0.657 5.187 -8.580 412 H LEU 57 H LEU 57 -4.582 2.582 -6.113 413 HA LEU 57 HA LEU 57 -4.441 0.072 -4.977 414 HB2 LEU 57 2HB LEU 57 -6.462 1.513 -5.784 415 HB3 LEU 57 3HB LEU 57 -6.297 0.572 -7.265 416 HG LEU 57 HG LEU 57 -6.435 -0.988 -4.764 417 HD11 LEU 57 1HD1 LEU 57 -8.412 1.036 -5.390 418 HD12 LEU 57 2HD1 LEU 57 -8.240 0.028 -3.953 419 HD13 LEU 57 3HD1 LEU 57 -9.105 -0.585 -5.363 420 HD21 LEU 57 1HD2 LEU 57 -8.175 -2.136 -6.354 421 HD22 LEU 57 2HD2 LEU 57 -6.443 -2.330 -6.625 422 HD23 LEU 57 3HD2 LEU 57 -7.363 -1.174 -7.591 423 H ASP 58 H ASP 58 -3.687 1.061 -8.244 424 HA ASP 58 HA ASP 58 -3.605 -1.536 -9.388 425 HB2 ASP 58 2HB ASP 58 -2.596 1.167 -10.184 426 HB3 ASP 58 3HB ASP 58 -2.025 -0.252 -11.059 427 H GLN 59 H GLN 59 -1.215 0.502 -7.794 428 HA GLN 59 HA GLN 59 1.049 -1.073 -8.402 429 HB2 GLN 59 2HB GLN 59 0.415 1.193 -6.669 430 HB3 GLN 59 3HB GLN 59 1.632 0.124 -5.983 431 HG2 GLN 59 2HG GLN 59 3.186 0.957 -7.313 432 HG3 GLN 59 3HG GLN 59 2.219 0.593 -8.741 433 HE21 GLN 59 1HE2 GLN 59 1.614 2.817 -6.059 434 HE22 GLN 59 2HE2 GLN 59 1.514 4.241 -7.030 435 H LEU 60 H LEU 60 -1.197 -1.071 -5.667 436 HA LEU 60 HA LEU 60 0.147 -2.968 -4.090 437 HB2 LEU 60 2HB LEU 60 -2.663 -1.984 -4.257 438 HB3 LEU 60 3HB LEU 60 -2.303 -3.394 -3.263 439 HG LEU 60 HG LEU 60 -2.386 -1.316 -1.956 440 HD11 LEU 60 1HD1 LEU 60 0.396 -1.714 -1.553 441 HD12 LEU 60 2HD1 LEU 60 -0.332 -3.266 -1.967 442 HD13 LEU 60 3HD1 LEU 60 -0.958 -2.336 -0.607 443 HD21 LEU 60 1HD2 LEU 60 -0.628 0.362 -2.224 444 HD22 LEU 60 2HD2 LEU 60 -1.622 0.235 -3.675 445 HD23 LEU 60 3HD2 LEU 60 -0.018 -0.499 -3.638 446 H ARG 61 H ARG 61 -2.617 -3.403 -6.300 447 HA ARG 61 HA ARG 61 -2.808 -6.176 -6.082 448 HB2 ARG 61 2HB ARG 61 -4.587 -4.959 -7.116 449 HB3 ARG 61 3HB ARG 61 -3.511 -4.311 -8.346 450 HG2 ARG 61 2HG ARG 61 -3.764 -7.255 -8.188 451 HG3 ARG 61 3HG ARG 61 -5.148 -6.350 -8.802 452 HD2 ARG 61 2HD ARG 61 -2.473 -5.651 -9.872 453 HD3 ARG 61 3HD ARG 61 -3.169 -7.191 -10.374 454 HE ARG 61 HE ARG 61 -3.968 -4.596 -11.230 455 HH11 ARG 61 1HH1 ARG 61 -5.155 -7.797 -10.546 456 HH12 ARG 61 2HH1 ARG 61 -6.503 -7.669 -11.627 457 HH21 ARG 61 1HH2 ARG 61 -5.739 -4.416 -12.655 458 HH22 ARG 61 2HH2 ARG 61 -6.834 -5.745 -12.827 459 H LEU 62 H LEU 62 -0.696 -4.175 -8.031 460 HA LEU 62 HA LEU 62 0.243 -6.233 -9.745 461 HB2 LEU 62 2HB LEU 62 1.195 -3.500 -9.003 462 HB3 LEU 62 3HB LEU 62 2.245 -4.570 -9.931 463 HG LEU 62 HG LEU 62 -0.537 -3.972 -10.873 464 HD11 LEU 62 1HD1 LEU 62 1.810 -2.342 -11.756 465 HD12 LEU 62 2HD1 LEU 62 0.866 -1.863 -10.347 466 HD13 LEU 62 3HD1 LEU 62 0.086 -2.006 -11.922 467 HD21 LEU 62 1HD2 LEU 62 1.234 -5.734 -11.786 468 HD22 LEU 62 2HD2 LEU 62 1.816 -4.308 -12.645 469 HD23 LEU 62 3HD2 LEU 62 0.149 -4.845 -12.855 470 H VAL 63 H VAL 63 1.647 -4.721 -6.841 471 HA VAL 63 HA VAL 63 3.969 -6.241 -6.683 472 HB VAL 63 HB VAL 63 2.343 -5.180 -4.368 473 HG11 VAL 63 1HG1 VAL 63 4.490 -5.168 -3.172 474 HG12 VAL 63 2HG1 VAL 63 4.009 -6.795 -3.653 475 HG13 VAL 63 3HG1 VAL 63 5.256 -5.939 -4.561 476 HG21 VAL 63 1HG2 VAL 63 3.700 -3.812 -6.453 477 HG22 VAL 63 2HG2 VAL 63 2.908 -3.136 -5.028 478 HG23 VAL 63 3HG2 VAL 63 4.613 -3.581 -4.960 479 H ILE 64 H ILE 64 0.694 -7.005 -5.693 480 HA ILE 64 HA ILE 64 1.298 -9.279 -4.123 481 HB ILE 64 HB ILE 64 -1.227 -8.632 -5.649 482 HG12 ILE 64 2HG1 ILE 64 -0.912 -8.350 -2.688 483 HG13 ILE 64 3HG1 ILE 64 -0.252 -7.097 -3.733 484 HG21 ILE 64 1HG2 ILE 64 -1.751 -10.198 -3.362 485 HG22 ILE 64 2HG2 ILE 64 -1.967 -10.638 -5.056 486 HG23 ILE 64 3HG2 ILE 64 -0.443 -10.989 -4.242 487 HD11 ILE 64 1HD1 ILE 64 -2.259 -6.231 -4.116 488 HD12 ILE 64 2HD1 ILE 64 -2.971 -7.812 -4.440 489 HD13 ILE 64 3HD1 ILE 64 -2.822 -7.235 -2.780 490 H CYS 65 H CYS 65 0.006 -9.082 -7.446 491 HA CYS 65 HA CYS 65 0.123 -11.767 -8.078 492 HB2 CYS 65 2HB CYS 65 0.174 -9.245 -9.649 493 HB3 CYS 65 3HB CYS 65 0.656 -10.715 -10.488 494 HG CYS 65 HG CYS 65 -2.343 -9.606 -9.924 495 H ASP 66 H ASP 66 2.693 -9.402 -7.984 496 HA ASP 66 HA ASP 66 4.616 -10.997 -9.371 497 HB2 ASP 66 2HB ASP 66 5.147 -8.718 -7.457 498 HB3 ASP 66 3HB ASP 66 6.224 -9.327 -8.711 499 H LEU 67 H LEU 67 4.536 -9.971 -5.953 500 HA LEU 67 HA LEU 67 6.466 -11.697 -4.999 501 HB2 LEU 67 2HB LEU 67 5.257 -9.797 -3.805 502 HB3 LEU 67 3HB LEU 67 4.005 -10.979 -3.433 503 HG LEU 67 HG LEU 67 5.653 -12.315 -2.192 504 HD11 LEU 67 1HD1 LEU 67 7.499 -10.142 -3.105 505 HD12 LEU 67 2HD1 LEU 67 7.717 -11.891 -3.168 506 HD13 LEU 67 3HD1 LEU 67 7.818 -11.046 -1.623 507 HD21 LEU 67 1HD2 LEU 67 6.198 -10.058 -0.653 508 HD22 LEU 67 2HD2 LEU 67 4.817 -11.144 -0.498 509 HD23 LEU 67 3HD2 LEU 67 4.690 -9.689 -1.489 510 H GLN 68 H GLN 68 3.023 -12.284 -5.493 511 HA GLN 68 HA GLN 68 2.963 -14.837 -4.263 512 HB2 GLN 68 2HB GLN 68 0.909 -13.627 -4.568 513 HB3 GLN 68 3HB GLN 68 1.154 -13.549 -6.307 514 HG2 GLN 68 2HG GLN 68 -0.513 -15.198 -5.806 515 HG3 GLN 68 3HG GLN 68 0.932 -15.996 -6.424 516 HE21 GLN 68 1HE2 GLN 68 -0.235 -17.833 -5.371 517 HE22 GLN 68 2HE2 GLN 68 0.118 -18.146 -3.710 518 H GLU 69 H GLU 69 3.508 -13.749 -7.577 519 HA GLU 69 HA GLU 69 3.441 -16.235 -8.852 520 HB2 GLU 69 2HB GLU 69 4.538 -13.562 -9.456 521 HB3 GLU 69 3HB GLU 69 5.289 -14.896 -10.319 522 HG2 GLU 69 2HG GLU 69 2.366 -14.971 -10.303 523 HG3 GLU 69 3HG GLU 69 3.058 -13.569 -11.118 524 H ARG 70 H ARG 70 6.123 -14.519 -7.302 525 HA ARG 70 HA ARG 70 8.102 -16.442 -7.966 526 HB2 ARG 70 2HB ARG 70 7.982 -14.282 -5.864 527 HB3 ARG 70 3HB ARG 70 9.388 -15.313 -6.088 528 HG2 ARG 70 2HG ARG 70 9.840 -14.432 -8.209 529 HG3 ARG 70 3HG ARG 70 8.235 -13.710 -8.343 530 HD2 ARG 70 2HD ARG 70 8.845 -11.866 -7.224 531 HD3 ARG 70 3HD ARG 70 9.759 -12.784 -6.028 532 HE ARG 70 HE ARG 70 10.798 -11.458 -8.324 533 HH11 ARG 70 1HH1 ARG 70 11.247 -14.216 -6.249 534 HH12 ARG 70 2HH1 ARG 70 12.945 -14.344 -6.568 535 HH21 ARG 70 1HH2 ARG 70 13.033 -11.617 -8.754 536 HH22 ARG 70 2HH2 ARG 70 13.960 -12.865 -7.993 537 H ARG 71 H ARG 71 6.585 -15.718 -4.815 538 HA ARG 71 HA ARG 71 7.588 -17.859 -3.394 539 HB2 ARG 71 2HB ARG 71 6.423 -16.122 -2.239 540 HB3 ARG 71 3HB ARG 71 4.948 -16.421 -3.148 541 HG2 ARG 71 2HG ARG 71 5.845 -18.779 -1.721 542 HG3 ARG 71 3HG ARG 71 5.567 -17.406 -0.648 543 HD2 ARG 71 2HD ARG 71 3.366 -17.178 -2.084 544 HD3 ARG 71 3HD ARG 71 3.654 -18.893 -2.375 545 HE ARG 71 HE ARG 71 3.760 -18.128 0.401 546 HH11 ARG 71 1HH1 ARG 71 1.729 -19.181 -2.223 547 HH12 ARG 71 2HH1 ARG 71 0.506 -19.837 -1.187 548 HH21 ARG 71 1HH2 ARG 71 2.156 -18.987 1.776 549 HH22 ARG 71 2HH2 ARG 71 0.749 -19.725 1.088 550 H GLU 72 H GLU 72 4.989 -17.783 -5.717 551 HA GLU 72 HA GLU 72 3.829 -20.287 -5.050 552 HB2 GLU 72 2HB GLU 72 2.563 -18.683 -6.332 553 HB3 GLU 72 3HB GLU 72 3.777 -18.674 -7.604 554 HG2 GLU 72 2HG GLU 72 3.249 -20.958 -8.179 555 HG3 GLU 72 3HG GLU 72 2.102 -21.055 -6.844 556 H LYS 73 H LYS 73 6.032 -19.334 -7.687 557 HA LYS 73 HA LYS 73 6.434 -21.815 -8.829 558 HB2 LYS 73 2HB LYS 73 7.314 -19.477 -9.525 559 HB3 LYS 73 3HB LYS 73 8.699 -19.866 -8.514 560 HG2 LYS 73 2HG LYS 73 8.693 -22.076 -9.948 561 HG3 LYS 73 3HG LYS 73 7.846 -21.044 -11.102 562 HD2 LYS 73 2HD LYS 73 10.344 -20.035 -9.822 563 HD3 LYS 73 3HD LYS 73 10.469 -21.223 -11.121 564 HE2 LYS 73 2HE LYS 73 9.129 -19.751 -12.566 565 HE3 LYS 73 3HE LYS 73 9.061 -18.559 -11.269 566 HZ1 LYS 73 1HZ LYS 73 11.690 -18.954 -11.464 567 HZ2 LYS 73 2HZ LYS 73 10.860 -17.746 -12.309 568 HZ3 LYS 73 3HZ LYS 73 11.234 -19.209 -13.073 569 H PHE 74 H PHE 74 8.002 -20.397 -6.004 570 HA PHE 74 HA PHE 74 9.786 -22.639 -5.669 571 HB2 PHE 74 2HB PHE 74 10.350 -20.274 -5.004 572 HB3 PHE 74 3HB PHE 74 9.189 -20.435 -3.690 573 HD1 PHE 74 HD1 PHE 74 9.788 -21.456 -1.673 574 HD2 PHE 74 HD2 PHE 74 12.327 -21.835 -5.067 575 HE1 PHE 74 HE1 PHE 74 11.532 -22.452 -0.253 576 HE2 PHE 74 HE2 PHE 74 14.076 -22.832 -3.652 577 HZ PHE 74 HZ PHE 74 13.680 -23.142 -1.242 578 H GLY 75 H GLY 75 6.638 -21.696 -4.574 579 HA2 GLY 75 2HA GLY 75 5.389 -23.806 -3.847 580 HA3 GLY 75 3HA GLY 75 6.636 -23.899 -2.613 581 H SER 76 H SER 76 6.265 -22.927 -0.725 582 HA SER 76 HA SER 76 4.324 -20.734 -0.608 583 HB2 SER 76 2HB SER 76 3.843 -22.177 1.724 584 HB3 SER 76 3HB SER 76 2.789 -22.091 0.313 585 HG SER 76 HG SER 76 4.067 -24.204 1.269 586 H SER 77 H SER 77 4.383 -19.595 1.511 587 HA SER 77 HA SER 77 6.618 -19.955 3.248 588 HB2 SER 77 2HB SER 77 8.018 -18.962 1.670 589 HB3 SER 77 3HB SER 77 6.755 -17.881 1.082 590 HG SER 77 HG SER 77 8.602 -17.220 2.717 591 H LYS 78 H LYS 78 6.039 -19.216 5.178 592 HA LYS 78 HA LYS 78 3.590 -17.938 5.646 593 HB2 LYS 78 2HB LYS 78 5.958 -18.664 7.274 594 HB3 LYS 78 3HB LYS 78 4.904 -17.422 7.938 595 HG2 LYS 78 2HG LYS 78 3.318 -18.895 8.469 596 HG3 LYS 78 3HG LYS 78 3.454 -19.737 6.924 597 HD2 LYS 78 2HD LYS 78 4.106 -21.330 8.513 598 HD3 LYS 78 3HD LYS 78 5.628 -20.716 7.861 599 HE2 LYS 78 2HE LYS 78 6.189 -20.460 10.020 600 HE3 LYS 78 3HE LYS 78 5.206 -18.999 9.922 601 HZ1 LYS 78 1HZ LYS 78 4.210 -21.656 10.797 602 HZ2 LYS 78 2HZ LYS 78 3.331 -20.212 10.782 603 HZ3 LYS 78 3HZ LYS 78 4.640 -20.393 11.838 604 H GLU 79 H GLU 79 6.881 -16.665 5.452 605 HA GLU 79 HA GLU 79 6.295 -14.036 6.273 606 HB2 GLU 79 2HB GLU 79 8.531 -15.404 4.904 607 HB3 GLU 79 3HB GLU 79 8.407 -13.673 4.616 608 HG2 GLU 79 2HG GLU 79 9.576 -13.437 6.489 609 HG3 GLU 79 3HG GLU 79 8.084 -13.852 7.331 610 H ILE 80 H ILE 80 6.379 -15.544 3.068 611 HA ILE 80 HA ILE 80 5.825 -13.168 1.621 612 HB ILE 80 HB ILE 80 5.337 -16.038 0.817 613 HG12 ILE 80 2HG1 ILE 80 7.693 -15.526 1.389 614 HG13 ILE 80 3HG1 ILE 80 7.483 -15.895 -0.318 615 HG21 ILE 80 1HG2 ILE 80 5.883 -14.387 -1.404 616 HG22 ILE 80 2HG2 ILE 80 4.385 -15.233 -1.017 617 HG23 ILE 80 3HG2 ILE 80 4.637 -13.582 -0.451 618 HD11 ILE 80 1HD1 ILE 80 7.649 -13.111 0.803 619 HD12 ILE 80 2HD1 ILE 80 9.012 -14.004 0.128 620 HD13 ILE 80 3HD1 ILE 80 7.641 -13.581 -0.897 621 H ASP 81 H ASP 81 3.757 -15.895 2.604 622 HA ASP 81 HA ASP 81 1.357 -15.043 1.543 623 HB2 ASP 81 2HB ASP 81 1.370 -17.200 2.473 624 HB3 ASP 81 3HB ASP 81 2.015 -16.631 4.010 625 H MET 82 H MET 82 2.924 -14.056 4.541 626 HA MET 82 HA MET 82 0.736 -12.514 5.509 627 HB2 MET 82 2HB MET 82 3.171 -13.370 6.527 628 HB3 MET 82 3HB MET 82 3.357 -11.625 6.418 629 HG2 MET 82 2HG MET 82 0.796 -12.274 7.531 630 HG3 MET 82 3HG MET 82 2.076 -13.094 8.421 631 HE1 MET 82 1HE MET 82 4.420 -11.120 9.483 632 HE2 MET 82 2HE MET 82 3.264 -10.778 10.771 633 HE3 MET 82 3HE MET 82 3.282 -12.365 9.999 634 H ALA 83 H ALA 83 3.772 -11.656 3.865 635 HA ALA 83 HA ALA 83 3.405 -8.896 3.781 636 HB1 ALA 83 1HB ALA 83 4.881 -10.762 1.943 637 HB2 ALA 83 2HB ALA 83 4.910 -9.009 1.749 638 HB3 ALA 83 3HB ALA 83 5.536 -9.744 3.225 639 H ILE 84 H ILE 84 2.401 -11.385 1.457 640 HA ILE 84 HA ILE 84 1.335 -9.671 -0.484 641 HB ILE 84 HB ILE 84 0.454 -12.474 0.215 642 HG12 ILE 84 2HG1 ILE 84 2.278 -11.669 -2.040 643 HG13 ILE 84 3HG1 ILE 84 2.911 -12.003 -0.432 644 HG21 ILE 84 1HG2 ILE 84 -0.044 -12.242 -2.411 645 HG22 ILE 84 2HG2 ILE 84 -1.242 -11.900 -1.163 646 HG23 ILE 84 3HG2 ILE 84 -0.338 -10.578 -1.903 647 HD11 ILE 84 1HD1 ILE 84 2.188 -14.254 -0.523 648 HD12 ILE 84 2HD1 ILE 84 1.235 -13.957 -1.978 649 HD13 ILE 84 3HD1 ILE 84 2.996 -13.908 -2.052 650 H VAL 85 H VAL 85 -0.315 -11.391 2.166 651 HA VAL 85 HA VAL 85 -2.870 -10.332 1.695 652 HB VAL 85 HB VAL 85 -1.680 -11.274 4.308 653 HG11 VAL 85 1HG1 VAL 85 -4.317 -11.790 4.505 654 HG12 VAL 85 2HG1 VAL 85 -3.558 -10.321 5.121 655 HG13 VAL 85 3HG1 VAL 85 -4.361 -10.308 3.550 656 HG21 VAL 85 1HG2 VAL 85 -2.127 -12.721 2.005 657 HG22 VAL 85 2HG2 VAL 85 -1.995 -13.382 3.635 658 HG23 VAL 85 3HG2 VAL 85 -3.581 -13.015 2.958 659 H THR 86 H THR 86 -0.214 -9.204 3.742 660 HA THR 86 HA THR 86 -1.504 -7.147 5.087 661 HB THR 86 HB THR 86 1.361 -7.214 4.119 662 HG1 THR 86 HG1 THR 86 1.547 -8.654 5.648 663 HG21 THR 86 1HG2 THR 86 1.645 -5.687 6.173 664 HG22 THR 86 2HG2 THR 86 -0.091 -5.408 6.031 665 HG23 THR 86 3HG2 THR 86 0.983 -4.977 4.701 666 H LEU 87 H LEU 87 0.037 -7.122 1.897 667 HA LEU 87 HA LEU 87 -0.347 -4.353 1.419 668 HB2 LEU 87 2HB LEU 87 0.094 -6.664 -0.461 669 HB3 LEU 87 3HB LEU 87 0.064 -4.976 -0.967 670 HG LEU 87 HG LEU 87 2.080 -6.286 0.853 671 HD11 LEU 87 1HD1 LEU 87 2.962 -6.823 -1.136 672 HD12 LEU 87 2HD1 LEU 87 3.434 -5.126 -1.195 673 HD13 LEU 87 3HD1 LEU 87 1.964 -5.659 -2.008 674 HD21 LEU 87 1HD2 LEU 87 1.540 -3.420 0.200 675 HD22 LEU 87 2HD2 LEU 87 3.187 -3.962 0.523 676 HD23 LEU 87 3HD2 LEU 87 1.935 -4.160 1.750 677 H LYS 88 H LYS 88 -2.211 -7.243 0.595 678 HA LYS 88 HA LYS 88 -4.150 -5.973 -1.003 679 HB2 LYS 88 2HB LYS 88 -3.605 -8.544 -0.426 680 HB3 LYS 88 3HB LYS 88 -4.984 -8.298 0.639 681 HG2 LYS 88 2HG LYS 88 -6.307 -8.698 -1.088 682 HG3 LYS 88 3HG LYS 88 -5.733 -7.196 -1.818 683 HD2 LYS 88 2HD LYS 88 -4.975 -8.476 -3.488 684 HD3 LYS 88 3HD LYS 88 -3.707 -8.982 -2.370 685 HE2 LYS 88 2HE LYS 88 -4.671 -11.007 -1.978 686 HE3 LYS 88 3HE LYS 88 -6.309 -10.395 -2.210 687 HZ1 LYS 88 1HZ LYS 88 -4.703 -11.769 -4.040 688 HZ2 LYS 88 2HZ LYS 88 -4.939 -10.206 -4.645 689 HZ3 LYS 88 3HZ LYS 88 -6.272 -11.176 -4.265 690 H VAL 89 H VAL 89 -4.130 -6.776 2.458 691 HA VAL 89 HA VAL 89 -6.686 -5.852 3.090 692 HB VAL 89 HB VAL 89 -4.217 -5.835 4.832 693 HG11 VAL 89 1HG1 VAL 89 -7.140 -5.609 5.540 694 HG12 VAL 89 2HG1 VAL 89 -5.845 -5.889 6.706 695 HG13 VAL 89 3HG1 VAL 89 -5.890 -4.389 5.780 696 HG21 VAL 89 1HG2 VAL 89 -6.377 -7.880 5.007 697 HG22 VAL 89 2HG2 VAL 89 -5.171 -8.020 3.729 698 HG23 VAL 89 3HG2 VAL 89 -4.666 -8.008 5.418 699 H PHE 90 H PHE 90 -3.574 -4.136 3.398 700 HA PHE 90 HA PHE 90 -4.711 -1.668 4.158 701 HB2 PHE 90 2HB PHE 90 -2.400 -2.066 4.644 702 HB3 PHE 90 3HB PHE 90 -2.034 -2.363 2.948 703 HD1 PHE 90 HD1 PHE 90 -1.893 -0.515 1.363 704 HD2 PHE 90 HD2 PHE 90 -2.598 0.160 5.506 705 HE1 PHE 90 HE1 PHE 90 -1.309 1.858 1.073 706 HE2 PHE 90 HE2 PHE 90 -2.016 2.533 5.223 707 HZ PHE 90 HZ PHE 90 -1.372 3.385 3.003 708 H ALA 91 H ALA 91 -4.101 -3.145 1.061 709 HA ALA 91 HA ALA 91 -4.230 -0.871 -0.576 710 HB1 ALA 91 1HB ALA 91 -4.870 -2.470 -2.374 711 HB2 ALA 91 2HB ALA 91 -3.433 -2.947 -1.467 712 HB3 ALA 91 3HB ALA 91 -4.979 -3.733 -1.147 713 H VAL 92 H VAL 92 -6.810 -3.224 0.171 714 HA VAL 92 HA VAL 92 -8.851 -1.611 -1.006 715 HB VAL 92 HB VAL 92 -9.107 -4.028 -0.900 716 HG11 VAL 92 1HG1 VAL 92 -9.665 -3.994 2.016 717 HG12 VAL 92 2HG1 VAL 92 -9.048 -5.294 0.995 718 HG13 VAL 92 3HG1 VAL 92 -7.978 -3.984 1.500 719 HG21 VAL 92 1HG2 VAL 92 -11.061 -2.242 -0.553 720 HG22 VAL 92 2HG2 VAL 92 -11.359 -3.979 -0.615 721 HG23 VAL 92 3HG2 VAL 92 -11.255 -3.158 0.942 722 H ALA 93 H ALA 93 -7.779 -2.231 2.308 723 HA ALA 93 HA ALA 93 -9.826 -0.731 3.571 724 HB1 ALA 93 1HB ALA 93 -7.088 -1.520 4.556 725 HB2 ALA 93 2HB ALA 93 -8.361 -0.825 5.559 726 HB3 ALA 93 3HB ALA 93 -8.596 -2.400 4.804 727 H GLY 94 H GLY 94 -7.116 0.204 1.766 728 HA2 GLY 94 2HA GLY 94 -7.068 2.866 3.035 729 HA3 GLY 94 3HA GLY 94 -5.769 2.192 2.062 730 H LEU 95 H LEU 95 -6.498 1.629 -0.259 731 HA LEU 95 HA LEU 95 -7.215 4.005 -1.548 732 HB2 LEU 95 2HB LEU 95 -7.105 1.149 -2.467 733 HB3 LEU 95 3HB LEU 95 -7.563 2.460 -3.552 734 HG LEU 95 HG LEU 95 -5.268 1.975 -3.937 735 HD11 LEU 95 1HD1 LEU 95 -6.172 4.463 -3.281 736 HD12 LEU 95 2HD1 LEU 95 -4.598 4.108 -3.992 737 HD13 LEU 95 3HD1 LEU 95 -4.753 4.304 -2.246 738 HD21 LEU 95 1HD2 LEU 95 -3.590 1.902 -2.230 739 HD22 LEU 95 2HD2 LEU 95 -4.896 0.810 -1.766 740 HD23 LEU 95 3HD2 LEU 95 -4.752 2.391 -0.997 741 H LEU 96 H LEU 96 -9.138 1.281 -0.483 742 HA LEU 96 HA LEU 96 -11.538 2.500 -1.657 743 HB2 LEU 96 2HB LEU 96 -10.682 -0.110 -1.643 744 HB3 LEU 96 3HB LEU 96 -11.859 -0.081 -0.331 745 HG LEU 96 HG LEU 96 -12.524 0.946 -3.076 746 HD11 LEU 96 1HD1 LEU 96 -12.659 -1.879 -2.050 747 HD12 LEU 96 2HD1 LEU 96 -11.827 -1.286 -3.487 748 HD13 LEU 96 3HD1 LEU 96 -13.590 -1.298 -3.430 749 HD21 LEU 96 1HD2 LEU 96 -14.820 0.227 -2.263 750 HD22 LEU 96 2HD2 LEU 96 -14.105 1.635 -1.476 751 HD23 LEU 96 3HD2 LEU 96 -14.090 0.068 -0.665 752 H ASN 97 H ASN 97 -9.848 2.516 1.162 753 HA ASN 97 HA ASN 97 -10.322 2.977 3.344 754 HB2 ASN 97 2HB ASN 97 -12.437 4.431 1.799 755 HB3 ASN 97 3HB ASN 97 -12.497 4.437 3.559 756 HD21 ASN 97 1HD2 ASN 97 -10.456 5.192 0.793 757 HD22 ASN 97 2HD2 ASN 97 -9.543 6.432 1.575 758 H MET 98 H MET 98 -11.324 0.449 2.285 759 HA MET 98 HA MET 98 -13.696 0.063 3.985 760 HB2 MET 98 2HB MET 98 -13.837 -0.478 1.501 761 HB3 MET 98 3HB MET 98 -12.737 -1.811 1.827 762 HG2 MET 98 2HG MET 98 -14.303 -3.008 2.985 763 HG3 MET 98 3HG MET 98 -15.209 -1.572 3.457 764 HE1 MET 98 1HE MET 98 -17.862 -2.351 2.522 765 HE2 MET 98 2HE MET 98 -17.067 -0.779 2.598 766 HE3 MET 98 3HE MET 98 -17.945 -1.253 1.143 767 H THR 99 H THR 99 -12.308 -0.058 5.861 768 HA THR 99 HA THR 99 -10.210 -1.850 6.215 769 HB THR 99 HB THR 99 -10.527 -0.206 7.893 770 HG1 THR 99 HG1 THR 99 -11.007 -1.694 9.800 771 HG21 THR 99 1HG2 THR 99 -13.309 -0.956 7.648 772 HG22 THR 99 2HG2 THR 99 -12.598 0.516 8.310 773 HG23 THR 99 3HG2 THR 99 -12.808 -0.902 9.338 774 H VAL 100 H VAL 100 -10.467 -3.911 5.507 775 HA VAL 100 HA VAL 100 -12.741 -5.489 5.635 776 HB VAL 100 HB VAL 100 -11.318 -7.413 5.312 777 HG11 VAL 100 1HG1 VAL 100 -10.386 -6.814 3.274 778 HG12 VAL 100 2HG1 VAL 100 -11.594 -5.554 3.530 779 HG13 VAL 100 3HG1 VAL 100 -9.892 -5.223 3.852 780 HG21 VAL 100 1HG2 VAL 100 -8.738 -6.785 5.299 781 HG22 VAL 100 2HG2 VAL 100 -9.270 -5.644 6.533 782 HG23 VAL 100 3HG2 VAL 100 -9.550 -7.371 6.751 783 H SER 101 H SER 101 -12.740 -7.658 6.926 784 HA SER 101 HA SER 101 -12.763 -6.909 9.737 785 HB2 SER 101 2HB SER 101 -13.994 -9.099 8.114 786 HB3 SER 101 3HB SER 101 -13.779 -9.347 9.847 787 HG SER 101 HG SER 101 -15.093 -7.626 10.258 788 H THR 102 H THR 102 -11.209 -9.234 7.593 789 HA THR 102 HA THR 102 -9.138 -9.652 9.605 790 HB THR 102 HB THR 102 -9.192 -12.029 9.527 791 HG1 THR 102 HG1 THR 102 -10.051 -13.068 7.895 792 HG21 THR 102 1HG2 THR 102 -11.454 -12.558 10.371 793 HG22 THR 102 2HG2 THR 102 -12.014 -10.987 9.800 794 HG23 THR 102 3HG2 THR 102 -10.802 -11.080 11.077 795 H ALA 103 H ALA 103 -7.153 -10.433 8.751 796 HA ALA 103 HA ALA 103 -6.363 -9.373 6.328 797 HB1 ALA 103 1HB ALA 103 -5.214 -11.204 8.294 798 HB2 ALA 103 2HB ALA 103 -4.590 -11.427 6.660 799 HB3 ALA 103 3HB ALA 103 -4.480 -9.849 7.437 800 H ALA 104 H ALA 104 -7.561 -12.617 7.038 801 HA ALA 104 HA ALA 104 -7.024 -13.753 4.510 802 HB1 ALA 104 1HB ALA 104 -8.613 -15.496 5.169 803 HB2 ALA 104 2HB ALA 104 -7.480 -15.121 6.468 804 HB3 ALA 104 3HB ALA 104 -9.130 -14.505 6.532 805 H ALA 105 H ALA 105 -9.844 -12.066 5.819 806 HA ALA 105 HA ALA 105 -11.611 -12.509 3.698 807 HB1 ALA 105 1HB ALA 105 -12.739 -11.611 5.444 808 HB2 ALA 105 2HB ALA 105 -11.408 -10.548 5.902 809 HB3 ALA 105 3HB ALA 105 -12.451 -10.121 4.547 810 H ALA 106 H ALA 106 -9.176 -9.990 4.187 811 HA ALA 106 HA ALA 106 -9.839 -8.420 1.942 812 HB1 ALA 106 1HB ALA 106 -8.162 -7.106 2.627 813 HB2 ALA 106 2HB ALA 106 -8.086 -8.179 4.024 814 HB3 ALA 106 3HB ALA 106 -7.005 -8.436 2.654 815 H GLU 107 H GLU 107 -7.276 -10.865 2.370 816 HA GLU 107 HA GLU 107 -6.282 -10.814 -0.228 817 HB2 GLU 107 2HB GLU 107 -5.080 -11.957 1.517 818 HB3 GLU 107 3HB GLU 107 -6.411 -13.078 1.766 819 HG2 GLU 107 2HG GLU 107 -5.574 -13.178 -0.966 820 HG3 GLU 107 3HG GLU 107 -4.179 -13.381 0.094 821 H ASN 108 H ASN 108 -9.011 -12.577 1.132 822 HA ASN 108 HA ASN 108 -9.501 -14.119 -1.231 823 HB2 ASN 108 2HB ASN 108 -10.765 -13.772 1.417 824 HB3 ASN 108 3HB ASN 108 -11.862 -14.209 0.111 825 HD21 ASN 108 1HD2 ASN 108 -9.893 -15.397 2.459 826 HD22 ASN 108 2HD2 ASN 108 -9.633 -16.988 1.839 827 H MET 109 H MET 109 -10.637 -11.062 0.059 828 HA MET 109 HA MET 109 -12.844 -10.694 -1.645 829 HB2 MET 109 2HB MET 109 -11.376 -9.143 0.289 830 HB3 MET 109 3HB MET 109 -11.741 -8.157 -1.120 831 HG2 MET 109 2HG MET 109 -13.466 -7.967 0.587 832 HG3 MET 109 3HG MET 109 -14.097 -8.665 -0.902 833 HE1 MET 109 1HE MET 109 -16.026 -9.083 0.207 834 HE2 MET 109 2HE MET 109 -16.285 -10.827 0.247 835 HE3 MET 109 3HE MET 109 -16.245 -9.906 1.752 836 H TYR 110 H TYR 110 -9.479 -9.571 -1.930 837 HA TYR 110 HA TYR 110 -9.832 -8.329 -4.448 838 HB2 TYR 110 2HB TYR 110 -7.627 -8.883 -2.625 839 HB3 TYR 110 3HB TYR 110 -7.149 -9.025 -4.313 840 HD1 TYR 110 HD1 TYR 110 -5.851 -7.123 -4.695 841 HD2 TYR 110 HD2 TYR 110 -9.627 -6.709 -2.781 842 HE1 TYR 110 HE1 TYR 110 -5.653 -4.676 -4.847 843 HE2 TYR 110 HE2 TYR 110 -9.441 -4.261 -2.929 844 HH TYR 110 HH TYR 110 -7.090 -2.606 -3.151 845 H SER 111 H SER 111 -8.534 -11.497 -3.506 846 HA SER 111 HA SER 111 -7.868 -12.394 -6.074 847 HB2 SER 111 2HB SER 111 -6.985 -13.663 -4.306 848 HB3 SER 111 3HB SER 111 -8.550 -13.813 -3.509 849 HG SER 111 HG SER 111 -7.932 -14.976 -6.021 850 H GLN 112 H GLN 112 -10.817 -12.978 -4.163 851 HA GLN 112 HA GLN 112 -12.170 -14.426 -6.169 852 HB2 GLN 112 2HB GLN 112 -12.739 -14.367 -3.713 853 HB3 GLN 112 3HB GLN 112 -13.448 -12.780 -3.984 854 HG2 GLN 112 2HG GLN 112 -15.273 -13.616 -5.010 855 HG3 GLN 112 3HG GLN 112 -14.381 -14.938 -5.760 856 HE21 GLN 112 1HE2 GLN 112 -16.777 -14.336 -3.703 857 HE22 GLN 112 2HE2 GLN 112 -16.653 -15.702 -2.653 858 H MET 113 H MET 113 -11.805 -11.015 -5.554 859 HA MET 113 HA MET 113 -13.962 -10.082 -7.119 860 HB2 MET 113 2HB MET 113 -11.536 -8.924 -5.900 861 HB3 MET 113 3HB MET 113 -12.158 -8.061 -7.299 862 HG2 MET 113 2HG MET 113 -14.337 -7.868 -6.220 863 HG3 MET 113 3HG MET 113 -13.721 -8.746 -4.821 864 HE1 MET 113 1HE MET 113 -13.965 -7.186 -2.899 865 HE2 MET 113 2HE MET 113 -13.770 -5.436 -2.988 866 HE3 MET 113 3HE MET 113 -15.030 -6.232 -3.933 867 H GLY 114 H GLY 114 -10.847 -11.332 -7.936 868 HA2 GLY 114 2HA GLY 114 -10.619 -12.154 -10.237 869 HA3 GLY 114 3HA GLY 114 -11.369 -10.654 -10.765 870 H LEU 115 H LEU 115 -9.016 -10.643 -8.206 871 HA LEU 115 HA LEU 115 -7.159 -9.240 -10.001 872 HB2 LEU 115 2HB LEU 115 -7.512 -9.154 -7.013 873 HB3 LEU 115 3HB LEU 115 -6.156 -8.401 -7.849 874 HG LEU 115 HG LEU 115 -8.081 -7.184 -9.175 875 HD11 LEU 115 1HD1 LEU 115 -9.403 -7.832 -6.544 876 HD12 LEU 115 2HD1 LEU 115 -9.899 -8.436 -8.125 877 HD13 LEU 115 3HD1 LEU 115 -10.009 -6.712 -7.766 878 HD21 LEU 115 1HD2 LEU 115 -8.011 -5.857 -6.653 879 HD22 LEU 115 2HD2 LEU 115 -7.150 -5.459 -8.139 880 HD23 LEU 115 3HD2 LEU 115 -6.427 -6.566 -6.970 881 H ASP 116 H ASP 116 -7.527 -11.999 -7.951 882 HA ASP 116 HA ASP 116 -4.954 -13.010 -8.841 883 HB2 ASP 116 2HB ASP 116 -4.768 -11.747 -6.552 884 HB3 ASP 116 3HB ASP 116 -5.512 -13.206 -5.904 885 H THR 117 H THR 117 -4.655 -15.328 -7.973 886 HA THR 117 HA THR 117 -7.163 -16.730 -8.459 887 HB THR 117 HB THR 117 -5.549 -18.772 -8.393 888 HG1 THR 117 HG1 THR 117 -3.842 -17.148 -7.575 889 HG21 THR 117 1HG2 THR 117 -6.620 -17.525 -10.404 890 HG22 THR 117 2HG2 THR 117 -5.267 -18.619 -10.695 891 HG23 THR 117 3HG2 THR 117 -4.999 -16.877 -10.647 892 H ARG 118 H ARG 118 -7.563 -18.761 -7.187 893 HA ARG 118 HA ARG 118 -6.927 -18.313 -4.344 894 HB2 ARG 118 2HB ARG 118 -9.323 -17.922 -5.006 895 HB3 ARG 118 3HB ARG 118 -9.419 -19.625 -5.433 896 HG2 ARG 118 2HG ARG 118 -8.967 -20.263 -3.145 897 HG3 ARG 118 3HG ARG 118 -8.754 -18.570 -2.693 898 HD2 ARG 118 2HD ARG 118 -10.922 -18.628 -2.147 899 HD3 ARG 118 3HD ARG 118 -11.216 -18.548 -3.883 900 HE ARG 118 HE ARG 118 -10.913 -21.211 -3.358 901 HH11 ARG 118 1HH1 ARG 118 -12.982 -18.679 -2.165 902 HH12 ARG 118 2HH1 ARG 118 -14.303 -19.742 -1.818 903 HH21 ARG 118 1HH2 ARG 118 -12.646 -22.624 -2.904 904 HH22 ARG 118 2HH2 ARG 118 -14.111 -21.987 -2.237 905 HA PRO 119 HA PRO 119 -5.251 -22.457 -5.672 906 HB2 PRO 119 2HB PRO 119 -2.800 -22.099 -4.560 907 HB3 PRO 119 3HB PRO 119 -3.197 -21.573 -6.200 908 HG2 PRO 119 2HG PRO 119 -3.089 -19.974 -3.671 909 HG3 PRO 119 3HG PRO 119 -2.488 -19.555 -5.287 910 HD2 PRO 119 2HD PRO 119 -4.833 -18.612 -4.314 911 HD3 PRO 119 3HD PRO 119 -4.577 -18.938 -6.041 912 H21 MYR 201 1H2 MYR 1 7.510 11.243 1.846 913 H22 MYR 201 2H2 MYR 1 6.619 12.683 2.300 914 H31 MYR 201 1H3 MYR 1 5.019 11.204 3.126 915 H32 MYR 201 2H3 MYR 1 6.096 11.026 4.513 916 H41 MYR 201 1H4 MYR 1 7.084 8.984 3.653 917 H42 MYR 201 2H4 MYR 1 6.512 9.281 2.010 918 H51 MYR 201 1H5 MYR 1 4.066 9.201 3.261 919 H52 MYR 201 2H5 MYR 1 4.971 8.232 4.425 920 H61 MYR 201 1H6 MYR 1 5.606 6.583 2.720 921 H62 MYR 201 2H6 MYR 1 5.083 7.632 1.400 922 H71 MYR 201 1H7 MYR 1 2.851 7.169 3.307 923 H72 MYR 201 2H7 MYR 1 3.526 5.632 2.761 924 H81 MYR 201 1H8 MYR 1 3.415 6.949 0.328 925 H82 MYR 201 2H8 MYR 1 2.103 7.788 1.158 926 H91 MYR 201 1H9 MYR 1 1.082 5.894 0.039 927 H92 MYR 201 2H9 MYR 1 1.086 5.495 1.757 928 H101 MYR 201 1H10 MYR 1 3.357 4.258 1.319 929 H102 MYR 201 2H10 MYR 1 3.033 4.430 -0.399 930 H111 MYR 201 1H11 MYR 1 0.761 3.204 0.032 931 H112 MYR 201 2H11 MYR 1 1.309 2.947 1.682 932 H121 MYR 201 1H12 MYR 1 2.973 1.378 1.089 933 H122 MYR 201 2H12 MYR 1 3.198 2.038 -0.530 934 H131 MYR 201 1H13 MYR 1 1.772 0.465 -1.385 935 H132 MYR 201 2H13 MYR 1 0.446 1.133 -0.430 936 H141 MYR 201 1H14 MYR 1 0.434 -0.788 0.865 937 H142 MYR 201 2H14 MYR 1 1.820 -1.420 -0.053 938 H143 MYR 201 3H14 MYR 1 2.097 -0.444 1.407 Start of MODEL 17 1 H GLY 2 H GLY 2 7.003 12.335 4.305 2 HA2 GLY 2 2HA GLY 2 6.758 12.210 7.172 3 HA3 GLY 2 3HA GLY 2 8.419 12.385 6.627 4 H ASN 3 H ASN 3 7.981 14.041 4.399 5 HA ASN 3 HA ASN 3 8.086 16.567 5.526 6 HB2 ASN 3 2HB ASN 3 7.822 15.478 2.800 7 HB3 ASN 3 3HB ASN 3 7.232 17.126 2.995 8 HD21 ASN 3 1HD2 ASN 3 9.072 17.393 1.434 9 HD22 ASN 3 2HD2 ASN 3 10.628 17.726 2.111 10 H GLY 4 H GLY 4 5.315 14.783 4.280 11 HA2 GLY 4 2HA GLY 4 3.537 16.573 5.725 12 HA3 GLY 4 3HA GLY 4 3.333 16.555 3.979 13 H GLN 5 H GLN 5 2.362 15.172 6.854 14 HA GLN 5 HA GLN 5 1.901 12.496 6.129 15 HB2 GLN 5 2HB GLN 5 1.383 14.151 8.358 16 HB3 GLN 5 3HB GLN 5 -0.163 13.457 7.883 17 HG2 GLN 5 2HG GLN 5 0.406 11.399 8.553 18 HG3 GLN 5 3HG GLN 5 2.060 11.551 7.962 19 HE21 GLN 5 1HE2 GLN 5 3.238 13.413 9.290 20 HE22 GLN 5 2HE2 GLN 5 3.166 13.186 11.001 21 H GLY 6 H GLY 6 0.438 11.561 4.847 22 HA2 GLY 6 2HA GLY 6 -1.480 13.264 3.470 23 HA3 GLY 6 3HA GLY 6 -1.076 11.604 3.060 24 H ARG 7 H ARG 7 -3.665 13.132 3.586 25 HA ARG 7 HA ARG 7 -4.891 12.248 5.917 26 HB2 ARG 7 2HB ARG 7 -7.033 12.512 4.651 27 HB3 ARG 7 3HB ARG 7 -5.964 13.905 4.559 28 HG2 ARG 7 2HG ARG 7 -5.182 13.068 2.345 29 HG3 ARG 7 3HG ARG 7 -6.428 11.821 2.439 30 HD2 ARG 7 2HD ARG 7 -7.915 14.000 2.954 31 HD3 ARG 7 3HD ARG 7 -6.670 14.722 1.936 32 HE ARG 7 HE ARG 7 -7.686 12.349 0.763 33 HH11 ARG 7 1HH1 ARG 7 -8.468 15.690 1.347 34 HH12 ARG 7 2HH1 ARG 7 -9.511 15.823 -0.030 35 HH21 ARG 7 1HH2 ARG 7 -9.057 12.511 -1.053 36 HH22 ARG 7 2HH2 ARG 7 -9.846 14.013 -1.394 37 H ASP 8 H ASP 8 -4.705 10.677 2.742 38 HA ASP 8 HA ASP 8 -6.229 8.397 3.521 39 HB2 ASP 8 2HB ASP 8 -4.709 9.261 1.142 40 HB3 ASP 8 3HB ASP 8 -4.804 7.518 1.380 41 H TRP 9 H TRP 9 -2.884 9.288 3.739 42 HA TRP 9 HA TRP 9 -1.844 6.657 4.092 43 HB2 TRP 9 2HB TRP 9 -0.364 8.418 3.365 44 HB3 TRP 9 3HB TRP 9 -0.724 9.374 4.800 45 HD1 TRP 9 HD1 TRP 9 1.099 9.248 6.579 46 HE1 TRP 9 HE1 TRP 9 2.910 7.551 7.261 47 HE3 TRP 9 HE3 TRP 9 0.011 5.522 3.251 48 HZ2 TRP 9 HZ2 TRP 9 3.764 4.974 6.489 49 HZ3 TRP 9 HZ3 TRP 9 1.374 3.474 3.289 50 HH2 TRP 9 HH2 TRP 9 3.211 3.207 4.874 51 H LYS 10 H LYS 10 -2.146 9.328 6.442 52 HA LYS 10 HA LYS 10 -1.677 7.813 8.726 53 HB2 LYS 10 2HB LYS 10 -2.277 10.468 8.168 54 HB3 LYS 10 3HB LYS 10 -3.620 9.938 9.172 55 HG2 LYS 10 2HG LYS 10 -0.877 9.254 10.068 56 HG3 LYS 10 3HG LYS 10 -1.397 10.937 10.199 57 HD2 LYS 10 2HD LYS 10 -3.561 9.659 11.207 58 HD3 LYS 10 3HD LYS 10 -2.273 8.556 11.697 59 HE2 LYS 10 2HE LYS 10 -2.209 11.527 12.198 60 HE3 LYS 10 3HE LYS 10 -2.840 10.357 13.356 61 HZ1 LYS 10 1HZ LYS 10 -0.394 9.367 12.664 62 HZ2 LYS 10 2HZ LYS 10 -0.762 10.203 14.088 63 HZ3 LYS 10 3HZ LYS 10 -0.129 11.035 12.758 64 H MET 11 H MET 11 -4.721 8.517 7.062 65 HA MET 11 HA MET 11 -6.412 7.286 8.960 66 HB2 MET 11 2HB MET 11 -7.143 8.889 7.181 67 HB3 MET 11 3HB MET 11 -6.917 7.607 5.999 68 HG2 MET 11 2HG MET 11 -9.212 7.646 6.484 69 HG3 MET 11 3HG MET 11 -8.562 6.246 7.333 70 HE1 MET 11 1HE MET 11 -9.108 9.891 7.468 71 HE2 MET 11 2HE MET 11 -10.674 9.771 8.269 72 HE3 MET 11 3HE MET 11 -9.259 10.309 9.175 73 H ALA 12 H ALA 12 -4.649 6.074 6.176 74 HA ALA 12 HA ALA 12 -5.896 3.566 5.951 75 HB1 ALA 12 1HB ALA 12 -4.532 4.317 4.160 76 HB2 ALA 12 2HB ALA 12 -3.127 4.489 5.214 77 HB3 ALA 12 3HB ALA 12 -3.751 2.884 4.830 78 H ILE 13 H ILE 13 -3.068 4.612 7.819 79 HA ILE 13 HA ILE 13 -2.396 2.070 8.840 80 HB ILE 13 HB ILE 13 -1.872 4.788 10.047 81 HG12 ILE 13 2HG1 ILE 13 -0.965 4.490 7.762 82 HG13 ILE 13 3HG1 ILE 13 0.305 4.639 8.971 83 HG21 ILE 13 1HG2 ILE 13 0.022 3.585 11.171 84 HG22 ILE 13 2HG2 ILE 13 -1.587 3.151 11.747 85 HG23 ILE 13 3HG2 ILE 13 -0.722 2.073 10.652 86 HD11 ILE 13 1HD1 ILE 13 -0.046 2.613 7.059 87 HD12 ILE 13 2HD1 ILE 13 1.178 2.717 8.325 88 HD13 ILE 13 3HD1 ILE 13 -0.345 1.884 8.637 89 H LYS 14 H LYS 14 -4.286 4.734 10.250 90 HA LYS 14 HA LYS 14 -4.901 3.464 12.675 91 HB2 LYS 14 2HB LYS 14 -5.202 5.915 12.088 92 HB3 LYS 14 3HB LYS 14 -6.676 5.446 11.249 93 HG2 LYS 14 2HG LYS 14 -7.604 5.959 13.236 94 HG3 LYS 14 3HG LYS 14 -7.149 4.296 13.615 95 HD2 LYS 14 2HD LYS 14 -6.130 5.225 15.394 96 HD3 LYS 14 3HD LYS 14 -4.860 5.623 14.234 97 HE2 LYS 14 2HE LYS 14 -6.332 7.754 13.826 98 HE3 LYS 14 3HE LYS 14 -6.967 7.370 15.425 99 HZ1 LYS 14 1HZ LYS 14 -4.058 7.519 14.965 100 HZ2 LYS 14 2HZ LYS 14 -4.916 7.706 16.410 101 HZ3 LYS 14 3HZ LYS 14 -4.955 8.927 15.239 102 H ARG 15 H ARG 15 -6.763 3.668 9.649 103 HA ARG 15 HA ARG 15 -8.953 2.137 10.524 104 HB2 ARG 15 2HB ARG 15 -8.796 3.615 8.454 105 HB3 ARG 15 3HB ARG 15 -7.970 2.270 7.678 106 HG2 ARG 15 2HG ARG 15 -10.021 1.678 7.020 107 HG3 ARG 15 3HG ARG 15 -10.176 1.032 8.655 108 HD2 ARG 15 2HD ARG 15 -11.147 3.675 7.597 109 HD3 ARG 15 3HD ARG 15 -12.103 2.352 8.263 110 HE ARG 15 HE ARG 15 -10.726 4.406 9.727 111 HH11 ARG 15 1HH1 ARG 15 -12.014 1.175 9.851 112 HH12 ARG 15 2HH1 ARG 15 -12.203 1.176 11.574 113 HH21 ARG 15 1HH2 ARG 15 -10.969 4.420 11.996 114 HH22 ARG 15 2HH2 ARG 15 -11.609 3.022 12.792 115 H CYS 16 H CYS 16 -6.169 1.182 8.509 116 HA CYS 16 HA CYS 16 -6.767 -1.514 8.269 117 HB2 CYS 16 2HB CYS 16 -5.008 -0.514 6.952 118 HB3 CYS 16 3HB CYS 16 -4.078 -0.142 8.397 119 HG CYS 16 HG CYS 16 -2.670 -2.273 8.275 120 H SER 17 H SER 17 -5.492 0.246 10.972 121 HA SER 17 HA SER 17 -4.268 -1.789 12.424 122 HB2 SER 17 2HB SER 17 -4.913 0.886 12.868 123 HB3 SER 17 3HB SER 17 -5.776 0.017 14.137 124 HG SER 17 HG SER 17 -3.775 0.361 14.948 125 H ASN 18 H ASN 18 -7.621 -1.172 11.822 126 HA ASN 18 HA ASN 18 -8.627 -2.763 13.982 127 HB2 ASN 18 2HB ASN 18 -9.716 -0.951 12.150 128 HB3 ASN 18 3HB ASN 18 -10.462 -2.497 11.752 129 HD21 ASN 18 1HD2 ASN 18 -10.082 -0.029 14.161 130 HD22 ASN 18 2HD2 ASN 18 -11.371 -0.547 15.188 131 H VAL 19 H VAL 19 -7.497 -3.378 10.780 132 HA VAL 19 HA VAL 19 -8.819 -5.686 10.055 133 HB VAL 19 HB VAL 19 -5.886 -5.081 9.653 134 HG11 VAL 19 1HG1 VAL 19 -6.251 -7.400 9.225 135 HG12 VAL 19 2HG1 VAL 19 -7.722 -7.058 8.311 136 HG13 VAL 19 3HG1 VAL 19 -6.150 -6.582 7.667 137 HG21 VAL 19 1HG2 VAL 19 -8.225 -3.834 8.625 138 HG22 VAL 19 2HG2 VAL 19 -6.537 -3.502 8.236 139 HG23 VAL 19 3HG2 VAL 19 -7.435 -4.702 7.309 140 H ALA 20 H ALA 20 -9.064 -7.581 11.019 141 HA ALA 20 HA ALA 20 -7.390 -8.327 13.256 142 HB1 ALA 20 1HB ALA 20 -9.524 -10.076 12.093 143 HB2 ALA 20 2HB ALA 20 -8.991 -9.928 13.768 144 HB3 ALA 20 3HB ALA 20 -9.944 -8.642 13.030 145 H VAL 21 H VAL 21 -5.373 -8.752 12.332 146 HA VAL 21 HA VAL 21 -4.856 -10.336 10.103 147 HB VAL 21 HB VAL 21 -3.093 -10.180 12.548 148 HG11 VAL 21 1HG1 VAL 21 -1.380 -10.199 10.543 149 HG12 VAL 21 2HG1 VAL 21 -2.049 -11.698 11.191 150 HG13 VAL 21 3HG1 VAL 21 -2.714 -10.999 9.713 151 HG21 VAL 21 1HG2 VAL 21 -2.215 -8.318 10.666 152 HG22 VAL 21 2HG2 VAL 21 -3.961 -8.088 10.761 153 HG23 VAL 21 3HG2 VAL 21 -2.978 -7.981 12.221 154 H GLY 22 H GLY 22 -5.799 -11.233 13.311 155 HA2 GLY 22 2HA GLY 22 -5.239 -14.065 12.697 156 HA3 GLY 22 3HA GLY 22 -5.398 -13.407 14.318 157 H VAL 23 H VAL 23 -7.145 -14.283 11.396 158 HA VAL 23 HA VAL 23 -9.737 -13.664 12.109 159 HB VAL 23 HB VAL 23 -9.116 -14.554 9.902 160 HG11 VAL 23 1HG1 VAL 23 -8.584 -16.808 9.505 161 HG12 VAL 23 2HG1 VAL 23 -7.610 -16.349 10.903 162 HG13 VAL 23 3HG1 VAL 23 -9.081 -17.297 11.125 163 HG21 VAL 23 1HG2 VAL 23 -11.118 -16.526 10.812 164 HG22 VAL 23 2HG2 VAL 23 -11.471 -14.832 11.154 165 HG23 VAL 23 3HG2 VAL 23 -11.194 -15.358 9.493 166 H GLY 24 H GLY 24 -7.696 -16.249 13.269 167 HA2 GLY 24 2HA GLY 24 -9.883 -17.062 15.081 168 HA3 GLY 24 3HA GLY 24 -8.845 -18.251 14.306 169 H GLY 25 H GLY 25 -9.336 -17.601 17.176 170 HA2 GLY 25 2HA GLY 25 -7.629 -18.208 18.807 171 HA3 GLY 25 3HA GLY 25 -6.506 -17.194 17.914 172 H LYS 26 H LYS 26 -7.186 -14.832 17.769 173 HA LYS 26 HA LYS 26 -8.675 -13.927 20.114 174 HB2 LYS 26 2HB LYS 26 -5.759 -13.638 19.704 175 HB3 LYS 26 3HB LYS 26 -6.605 -12.192 20.240 176 HG2 LYS 26 2HG LYS 26 -6.733 -14.862 21.625 177 HG3 LYS 26 3HG LYS 26 -5.671 -13.531 22.090 178 HD2 LYS 26 2HD LYS 26 -8.467 -12.741 21.803 179 HD3 LYS 26 3HD LYS 26 -8.208 -13.967 23.047 180 HE2 LYS 26 2HE LYS 26 -7.910 -12.010 24.234 181 HE3 LYS 26 3HE LYS 26 -6.255 -12.420 23.787 182 HZ1 LYS 26 1HZ LYS 26 -6.101 -10.448 22.825 183 HZ2 LYS 26 2HZ LYS 26 -7.722 -10.101 23.159 184 HZ3 LYS 26 3HZ LYS 26 -7.305 -10.888 21.721 185 H SER 27 H SER 27 -6.455 -12.318 17.849 186 HA SER 27 HA SER 27 -8.421 -11.254 16.151 187 HB2 SER 27 2HB SER 27 -8.259 -8.845 16.971 188 HB3 SER 27 3HB SER 27 -9.242 -9.933 17.949 189 HG SER 27 HG SER 27 -7.506 -10.125 19.388 190 H LYS 28 H LYS 28 -5.417 -10.251 17.786 191 HA LYS 28 HA LYS 28 -3.443 -9.449 16.980 192 HB2 LYS 28 2HB LYS 28 -4.237 -11.561 15.018 193 HB3 LYS 28 3HB LYS 28 -2.817 -10.579 14.684 194 HG2 LYS 28 2HG LYS 28 -1.624 -11.462 16.424 195 HG3 LYS 28 3HG LYS 28 -3.069 -11.860 17.357 196 HD2 LYS 28 2HD LYS 28 -2.425 -13.954 16.678 197 HD3 LYS 28 3HD LYS 28 -3.504 -13.510 15.353 198 HE2 LYS 28 2HE LYS 28 -1.808 -13.971 13.983 199 HE3 LYS 28 3HE LYS 28 -1.052 -12.492 14.578 200 HZ1 LYS 28 1HZ LYS 28 0.588 -13.984 15.014 201 HZ2 LYS 28 2HZ LYS 28 -0.473 -15.279 15.254 202 HZ3 LYS 28 3HZ LYS 28 -0.268 -14.118 16.467 203 H LYS 29 H LYS 29 -4.720 -7.384 16.734 204 HA LYS 29 HA LYS 29 -5.567 -6.547 14.153 205 HB2 LYS 29 2HB LYS 29 -5.276 -5.341 16.822 206 HB3 LYS 29 3HB LYS 29 -5.063 -4.215 15.488 207 HG2 LYS 29 2HG LYS 29 -7.309 -4.031 15.824 208 HG3 LYS 29 3HG LYS 29 -7.281 -5.323 14.622 209 HD2 LYS 29 2HD LYS 29 -8.433 -6.579 16.053 210 HD3 LYS 29 3HD LYS 29 -7.008 -6.602 17.094 211 HE2 LYS 29 2HE LYS 29 -8.523 -5.753 18.568 212 HE3 LYS 29 3HE LYS 29 -7.969 -4.248 17.835 213 HZ1 LYS 29 1HZ LYS 29 -9.930 -4.802 16.189 214 HZ2 LYS 29 2HZ LYS 29 -10.198 -3.971 17.638 215 HZ3 LYS 29 3HZ LYS 29 -10.528 -5.628 17.540 216 H PHE 30 H PHE 30 -4.542 -5.328 12.613 217 HA PHE 30 HA PHE 30 -1.732 -5.584 12.401 218 HB2 PHE 30 2HB PHE 30 -3.911 -4.712 10.733 219 HB3 PHE 30 3HB PHE 30 -2.574 -3.574 10.610 220 HD1 PHE 30 HD1 PHE 30 -3.935 -6.144 8.950 221 HD2 PHE 30 HD2 PHE 30 -0.198 -5.094 10.695 222 HE1 PHE 30 HE1 PHE 30 -2.787 -7.670 7.400 223 HE2 PHE 30 HE2 PHE 30 0.957 -6.617 9.148 224 HZ PHE 30 HZ PHE 30 -0.337 -7.908 7.496 225 H GLY 31 H GLY 31 -0.559 -3.393 11.575 226 HA2 GLY 31 2HA GLY 31 -1.163 -1.078 13.173 227 HA3 GLY 31 3HA GLY 31 0.217 -1.983 13.777 228 H GLU 32 H GLU 32 1.225 0.179 13.300 229 HA GLU 32 HA GLU 32 1.686 0.824 10.532 230 HB2 GLU 32 2HB GLU 32 1.564 2.579 12.259 231 HB3 GLU 32 3HB GLU 32 2.998 1.913 13.029 232 HG2 GLU 32 2HG GLU 32 3.968 2.284 10.568 233 HG3 GLU 32 3HG GLU 32 2.741 3.549 10.588 234 H GLY 33 H GLY 33 3.687 -0.387 13.218 235 HA2 GLY 33 2HA GLY 33 6.081 -0.663 11.803 236 HA3 GLY 33 3HA GLY 33 5.637 -1.598 13.222 237 H ASN 34 H ASN 34 3.481 -3.035 12.302 238 HA ASN 34 HA ASN 34 4.709 -5.181 10.996 239 HB2 ASN 34 2HB ASN 34 1.739 -4.618 11.074 240 HB3 ASN 34 3HB ASN 34 2.520 -6.186 10.895 241 HD21 ASN 34 1HD2 ASN 34 4.223 -6.522 12.755 242 HD22 ASN 34 2HD2 ASN 34 3.588 -6.259 14.341 243 H PHE 35 H PHE 35 2.388 -2.792 9.734 244 HA PHE 35 HA PHE 35 2.188 -3.696 7.135 245 HB2 PHE 35 2HB PHE 35 0.789 -1.897 7.977 246 HB3 PHE 35 3HB PHE 35 2.190 -0.843 8.140 247 HD1 PHE 35 HD1 PHE 35 0.977 -3.050 5.387 248 HD2 PHE 35 HD2 PHE 35 2.048 0.877 6.630 249 HE1 PHE 35 HE1 PHE 35 0.622 -2.232 3.095 250 HE2 PHE 35 HE2 PHE 35 1.694 1.702 4.340 251 HZ PHE 35 HZ PHE 35 0.979 0.148 2.569 252 H ARG 36 H ARG 36 4.673 -1.641 8.574 253 HA ARG 36 HA ARG 36 6.037 -1.000 6.197 254 HB2 ARG 36 2HB ARG 36 7.207 -1.273 8.971 255 HB3 ARG 36 3HB ARG 36 7.894 -0.366 7.629 256 HG2 ARG 36 2HG ARG 36 5.252 0.572 8.047 257 HG3 ARG 36 3HG ARG 36 6.068 0.508 9.611 258 HD2 ARG 36 2HD ARG 36 7.640 1.620 7.377 259 HD3 ARG 36 3HD ARG 36 6.257 2.581 7.898 260 HE ARG 36 HE ARG 36 7.802 1.759 10.125 261 HH11 ARG 36 1HH1 ARG 36 7.791 4.001 7.462 262 HH12 ARG 36 2HH1 ARG 36 8.778 5.171 8.274 263 HH21 ARG 36 1HH2 ARG 36 9.103 3.291 11.204 264 HH22 ARG 36 2HH2 ARG 36 9.524 4.765 10.402 265 H TRP 37 H TRP 37 6.515 -3.620 8.543 266 HA TRP 37 HA TRP 37 8.790 -4.766 7.417 267 HB2 TRP 37 2HB TRP 37 8.080 -5.494 9.579 268 HB3 TRP 37 3HB TRP 37 6.507 -5.995 8.963 269 HD1 TRP 37 HD1 TRP 37 10.038 -7.220 9.456 270 HE1 TRP 37 HE1 TRP 37 10.202 -9.680 8.717 271 HE3 TRP 37 HE3 TRP 37 5.483 -7.690 7.182 272 HZ2 TRP 37 HZ2 TRP 37 8.611 -11.570 7.351 273 HZ3 TRP 37 HZ3 TRP 37 4.882 -9.857 6.184 274 HH2 TRP 37 HH2 TRP 37 6.415 -11.756 6.267 275 H ALA 38 H ALA 38 5.401 -5.109 6.558 276 HA ALA 38 HA ALA 38 5.746 -7.291 4.769 277 HB1 ALA 38 1HB ALA 38 3.488 -6.313 3.861 278 HB2 ALA 38 2HB ALA 38 3.561 -7.099 5.438 279 HB3 ALA 38 3HB ALA 38 3.567 -5.339 5.330 280 H ILE 39 H ILE 39 5.132 -3.832 4.129 281 HA ILE 39 HA ILE 39 5.524 -3.934 1.369 282 HB ILE 39 HB ILE 39 4.497 -2.004 2.400 283 HG12 ILE 39 2HG1 ILE 39 7.122 -1.281 1.081 284 HG13 ILE 39 3HG1 ILE 39 5.624 -1.673 0.244 285 HG21 ILE 39 1HG2 ILE 39 5.686 -0.446 3.784 286 HG22 ILE 39 2HG2 ILE 39 5.862 -2.058 4.475 287 HG23 ILE 39 3HG2 ILE 39 7.193 -1.337 3.569 288 HD11 ILE 39 1HD1 ILE 39 6.424 0.797 1.655 289 HD12 ILE 39 2HD1 ILE 39 5.495 0.582 0.171 290 HD13 ILE 39 3HD1 ILE 39 4.726 0.327 1.739 291 H ARG 40 H ARG 40 7.827 -3.428 3.997 292 HA ARG 40 HA ARG 40 10.055 -2.709 2.468 293 HB2 ARG 40 2HB ARG 40 10.058 -2.458 4.873 294 HB3 ARG 40 3HB ARG 40 9.892 -4.195 5.092 295 HG2 ARG 40 2HG ARG 40 12.082 -4.573 4.796 296 HG3 ARG 40 3HG ARG 40 12.223 -3.367 3.516 297 HD2 ARG 40 2HD ARG 40 11.941 -1.647 5.420 298 HD3 ARG 40 3HD ARG 40 12.344 -2.992 6.487 299 HE ARG 40 HE ARG 40 14.339 -3.045 4.670 300 HH11 ARG 40 1HH1 ARG 40 12.994 -0.519 6.653 301 HH12 ARG 40 2HH1 ARG 40 14.486 0.352 6.782 302 HH21 ARG 40 1HH2 ARG 40 16.309 -1.906 4.832 303 HH22 ARG 40 2HH2 ARG 40 16.371 -0.437 5.746 304 H MET 41 H MET 41 9.058 -5.923 3.637 305 HA MET 41 HA MET 41 11.151 -7.312 2.319 306 HB2 MET 41 2HB MET 41 9.563 -8.037 4.284 307 HB3 MET 41 3HB MET 41 8.548 -8.632 2.976 308 HG2 MET 41 2HG MET 41 10.658 -9.841 2.161 309 HG3 MET 41 3HG MET 41 11.292 -9.513 3.773 310 HE1 MET 41 1HE MET 41 10.370 -13.318 3.926 311 HE2 MET 41 2HE MET 41 11.214 -12.346 2.720 312 HE3 MET 41 3HE MET 41 11.574 -12.132 4.433 313 H ALA 42 H ALA 42 7.816 -6.547 1.457 314 HA ALA 42 HA ALA 42 7.620 -8.136 -0.846 315 HB1 ALA 42 1HB ALA 42 5.977 -6.123 -1.475 316 HB2 ALA 42 2HB ALA 42 5.563 -7.367 -0.294 317 HB3 ALA 42 3HB ALA 42 6.170 -5.802 0.248 318 H ASN 43 H ASN 43 8.745 -4.804 -0.403 319 HA ASN 43 HA ASN 43 9.127 -4.215 -3.132 320 HB2 ASN 43 2HB ASN 43 9.613 -2.936 -0.610 321 HB3 ASN 43 3HB ASN 43 11.044 -2.774 -1.624 322 HD21 ASN 43 1HD2 ASN 43 10.630 -0.527 -1.719 323 HD22 ASN 43 2HD2 ASN 43 9.421 0.107 -2.777 324 H VAL 44 H VAL 44 11.522 -5.116 -0.645 325 HA VAL 44 HA VAL 44 13.714 -5.345 -2.362 326 HB VAL 44 HB VAL 44 13.208 -6.870 0.197 327 HG11 VAL 44 1HG1 VAL 44 15.306 -7.072 -1.698 328 HG12 VAL 44 2HG1 VAL 44 15.954 -6.293 -0.254 329 HG13 VAL 44 3HG1 VAL 44 15.163 -7.865 -0.130 330 HG21 VAL 44 1HG2 VAL 44 14.716 -4.293 -0.210 331 HG22 VAL 44 2HG2 VAL 44 13.063 -4.394 0.394 332 HG23 VAL 44 3HG2 VAL 44 14.385 -5.103 1.321 333 H SER 45 H SER 45 11.280 -7.717 -1.401 334 HA SER 45 HA SER 45 12.504 -9.954 -2.622 335 HB2 SER 45 2HB SER 45 10.731 -10.131 -0.899 336 HB3 SER 45 3HB SER 45 9.564 -9.498 -2.059 337 HG SER 45 HG SER 45 9.339 -11.489 -2.661 338 H THR 46 H THR 46 10.602 -7.341 -3.848 339 HA THR 46 HA THR 46 10.127 -8.710 -6.387 340 HB THR 46 HB THR 46 8.905 -6.560 -6.971 341 HG1 THR 46 HG1 THR 46 8.415 -5.197 -5.221 342 HG21 THR 46 1HG2 THR 46 7.168 -7.844 -6.424 343 HG22 THR 46 2HG2 THR 46 7.297 -7.259 -4.765 344 HG23 THR 46 3HG2 THR 46 8.145 -8.726 -5.252 345 H GLY 47 H GLY 47 12.789 -7.646 -5.321 346 HA2 GLY 47 2HA GLY 47 14.644 -6.569 -6.148 347 HA3 GLY 47 3HA GLY 47 13.983 -6.982 -7.723 348 H ARG 48 H ARG 48 12.259 -4.907 -5.518 349 HA ARG 48 HA ARG 48 12.512 -2.726 -7.445 350 HB2 ARG 48 2HB ARG 48 10.270 -3.518 -6.556 351 HB3 ARG 48 3HB ARG 48 10.733 -2.818 -5.011 352 HG2 ARG 48 2HG ARG 48 10.433 -0.694 -5.725 353 HG3 ARG 48 3HG ARG 48 10.945 -1.059 -7.374 354 HD2 ARG 48 2HD ARG 48 8.525 -2.471 -6.782 355 HD3 ARG 48 3HD ARG 48 8.321 -0.764 -6.392 356 HE ARG 48 HE ARG 48 9.529 -0.951 -8.906 357 HH11 ARG 48 1HH1 ARG 48 6.494 -1.683 -7.364 358 HH12 ARG 48 2HH1 ARG 48 5.561 -1.469 -8.808 359 HH21 ARG 48 1HH2 ARG 48 8.310 -0.666 -10.813 360 HH22 ARG 48 2HH2 ARG 48 6.595 -0.892 -10.769 361 H GLU 49 H GLU 49 13.533 -0.845 -7.035 362 HA GLU 49 HA GLU 49 15.511 -0.636 -5.122 363 HB2 GLU 49 2HB GLU 49 14.146 1.238 -6.947 364 HB3 GLU 49 3HB GLU 49 14.941 1.983 -5.567 365 HG2 GLU 49 2HG GLU 49 17.038 1.325 -6.246 366 HG3 GLU 49 3HG GLU 49 16.421 -0.009 -7.218 367 HA PRO 50 HA PRO 50 13.679 0.515 -1.307 368 HB2 PRO 50 2HB PRO 50 15.412 2.379 -0.361 369 HB3 PRO 50 3HB PRO 50 15.801 0.655 -0.438 370 HG2 PRO 50 2HG PRO 50 16.567 2.856 -2.317 371 HG3 PRO 50 3HG PRO 50 17.556 1.524 -1.692 372 HD2 PRO 50 2HD PRO 50 16.454 1.484 -4.165 373 HD3 PRO 50 3HD PRO 50 16.698 0.011 -3.205 374 H GLY 51 H GLY 51 14.370 3.054 -3.612 375 HA2 GLY 51 2HA GLY 51 12.738 5.000 -2.195 376 HA3 GLY 51 3HA GLY 51 13.589 5.257 -3.711 377 H ASP 52 H ASP 52 11.150 2.862 -2.716 378 HA ASP 52 HA ASP 52 9.382 3.911 -4.820 379 HB2 ASP 52 2HB ASP 52 10.445 1.164 -4.479 380 HB3 ASP 52 3HB ASP 52 8.740 1.297 -4.902 381 H ILE 53 H ILE 53 8.035 4.941 -3.373 382 HA ILE 53 HA ILE 53 6.538 3.166 -1.557 383 HB ILE 53 HB ILE 53 7.037 6.102 -1.075 384 HG12 ILE 53 2HG1 ILE 53 8.388 3.722 0.216 385 HG13 ILE 53 3HG1 ILE 53 9.141 4.803 -0.953 386 HG21 ILE 53 1HG2 ILE 53 6.262 5.508 1.221 387 HG22 ILE 53 2HG2 ILE 53 5.026 5.347 -0.027 388 HG23 ILE 53 3HG2 ILE 53 5.834 3.912 0.606 389 HD11 ILE 53 1HD1 ILE 53 8.781 5.112 1.901 390 HD12 ILE 53 2HD1 ILE 53 9.862 5.960 0.795 391 HD13 ILE 53 3HD1 ILE 53 8.199 6.509 0.997 392 HA PRO 54 HA PRO 54 3.691 5.133 -4.693 393 HB2 PRO 54 2HB PRO 54 2.486 2.813 -5.426 394 HB3 PRO 54 3HB PRO 54 3.963 3.412 -6.190 395 HG2 PRO 54 2HG PRO 54 3.640 1.332 -4.061 396 HG3 PRO 54 3HG PRO 54 4.689 1.316 -5.492 397 HD2 PRO 54 2HD PRO 54 5.609 1.921 -3.018 398 HD3 PRO 54 3HD PRO 54 6.286 2.643 -4.491 399 H GLU 55 H GLU 55 1.184 4.324 -4.872 400 HA GLU 55 HA GLU 55 -0.049 3.325 -2.552 401 HB2 GLU 55 2HB GLU 55 0.919 5.667 -1.863 402 HB3 GLU 55 3HB GLU 55 -0.479 6.282 -2.733 403 HG2 GLU 55 2HG GLU 55 -0.845 4.175 -0.656 404 HG3 GLU 55 3HG GLU 55 -0.607 5.854 -0.173 405 H THR 56 H THR 56 -0.845 2.371 -4.646 406 HA THR 56 HA THR 56 -3.363 3.659 -5.339 407 HB THR 56 HB THR 56 -3.062 3.509 -7.720 408 HG1 THR 56 HG1 THR 56 -0.989 2.840 -8.555 409 HG21 THR 56 1HG2 THR 56 -0.605 4.814 -6.545 410 HG22 THR 56 2HG2 THR 56 -2.212 5.542 -6.577 411 HG23 THR 56 3HG2 THR 56 -1.370 5.195 -8.086 412 H LEU 57 H LEU 57 -4.944 2.233 -6.089 413 HA LEU 57 HA LEU 57 -4.832 -0.388 -5.124 414 HB2 LEU 57 2HB LEU 57 -6.820 1.205 -5.889 415 HB3 LEU 57 3HB LEU 57 -6.686 0.237 -7.355 416 HG LEU 57 HG LEU 57 -8.423 -0.612 -5.860 417 HD11 LEU 57 1HD1 LEU 57 -6.926 -2.098 -7.312 418 HD12 LEU 57 2HD1 LEU 57 -7.876 -2.873 -6.045 419 HD13 LEU 57 3HD1 LEU 57 -6.156 -2.574 -5.800 420 HD21 LEU 57 1HD2 LEU 57 -8.145 -0.650 -3.662 421 HD22 LEU 57 2HD2 LEU 57 -6.487 -0.082 -3.859 422 HD23 LEU 57 3HD2 LEU 57 -6.830 -1.812 -3.835 423 H ASP 58 H ASP 58 -4.049 0.952 -8.254 424 HA ASP 58 HA ASP 58 -3.949 -1.535 -9.647 425 HB2 ASP 58 2HB ASP 58 -2.830 1.203 -10.251 426 HB3 ASP 58 3HB ASP 58 -2.615 -0.172 -11.332 427 H GLN 59 H GLN 59 -1.480 0.563 -8.191 428 HA GLN 59 HA GLN 59 0.745 -1.001 -8.888 429 HB2 GLN 59 2HB GLN 59 1.255 1.165 -8.181 430 HB3 GLN 59 3HB GLN 59 0.225 1.048 -6.761 431 HG2 GLN 59 2HG GLN 59 2.531 -0.795 -6.898 432 HG3 GLN 59 3HG GLN 59 2.880 0.914 -6.646 433 HE21 GLN 59 1HE2 GLN 59 0.890 1.766 -5.075 434 HE22 GLN 59 2HE2 GLN 59 0.891 0.925 -3.565 435 H LEU 60 H LEU 60 -1.036 -0.849 -5.802 436 HA LEU 60 HA LEU 60 0.347 -2.845 -4.460 437 HB2 LEU 60 2HB LEU 60 -2.516 -1.947 -4.278 438 HB3 LEU 60 3HB LEU 60 -1.831 -3.155 -3.192 439 HG LEU 60 HG LEU 60 -0.285 -0.674 -3.322 440 HD11 LEU 60 1HD1 LEU 60 -2.886 -0.138 -3.507 441 HD12 LEU 60 2HD1 LEU 60 -1.783 0.834 -2.534 442 HD13 LEU 60 3HD1 LEU 60 -2.787 -0.395 -1.764 443 HD21 LEU 60 1HD2 LEU 60 0.392 -1.938 -1.570 444 HD22 LEU 60 2HD2 LEU 60 -1.191 -2.683 -1.350 445 HD23 LEU 60 3HD2 LEU 60 -0.891 -1.053 -0.744 446 H ARG 61 H ARG 61 -2.492 -3.120 -6.567 447 HA ARG 61 HA ARG 61 -2.985 -5.843 -6.238 448 HB2 ARG 61 2HB ARG 61 -4.602 -4.498 -7.368 449 HB3 ARG 61 3HB ARG 61 -3.435 -4.013 -8.592 450 HG2 ARG 61 2HG ARG 61 -3.965 -6.908 -8.345 451 HG3 ARG 61 3HG ARG 61 -5.271 -5.909 -8.987 452 HD2 ARG 61 2HD ARG 61 -3.267 -4.920 -10.431 453 HD3 ARG 61 3HD ARG 61 -2.602 -6.524 -10.128 454 HE ARG 61 HE ARG 61 -4.112 -7.369 -11.614 455 HH11 ARG 61 1HH1 ARG 61 -5.230 -4.252 -10.541 456 HH12 ARG 61 2HH1 ARG 61 -6.570 -4.210 -11.638 457 HH21 ARG 61 1HH2 ARG 61 -5.873 -7.326 -13.063 458 HH22 ARG 61 2HH2 ARG 61 -6.935 -5.959 -13.071 459 H LEU 62 H LEU 62 -0.913 -4.190 -8.604 460 HA LEU 62 HA LEU 62 -0.068 -6.513 -9.957 461 HB2 LEU 62 2HB LEU 62 0.913 -3.713 -9.734 462 HB3 LEU 62 3HB LEU 62 1.982 -4.923 -10.438 463 HG LEU 62 HG LEU 62 -0.766 -4.755 -11.534 464 HD11 LEU 62 1HD1 LEU 62 0.281 -2.376 -11.157 465 HD12 LEU 62 2HD1 LEU 62 -0.526 -2.784 -12.669 466 HD13 LEU 62 3HD1 LEU 62 1.234 -2.813 -12.575 467 HD21 LEU 62 1HD2 LEU 62 2.001 -5.233 -12.611 468 HD22 LEU 62 2HD2 LEU 62 0.588 -5.046 -13.649 469 HD23 LEU 62 3HD2 LEU 62 0.663 -6.376 -12.491 470 H VAL 63 H VAL 63 1.229 -4.784 -7.167 471 HA VAL 63 HA VAL 63 3.673 -6.079 -6.902 472 HB VAL 63 HB VAL 63 1.856 -5.112 -4.690 473 HG11 VAL 63 1HG1 VAL 63 3.501 -6.564 -3.751 474 HG12 VAL 63 2HG1 VAL 63 4.785 -5.815 -4.704 475 HG13 VAL 63 3HG1 VAL 63 3.997 -4.906 -3.415 476 HG21 VAL 63 1HG2 VAL 63 3.376 -3.723 -6.691 477 HG22 VAL 63 2HG2 VAL 63 2.305 -3.071 -5.451 478 HG23 VAL 63 3HG2 VAL 63 4.006 -3.356 -5.085 479 H ILE 64 H ILE 64 0.493 -7.006 -5.625 480 HA ILE 64 HA ILE 64 1.345 -9.287 -4.217 481 HB ILE 64 HB ILE 64 -1.351 -8.759 -5.472 482 HG12 ILE 64 2HG1 ILE 64 -0.734 -7.000 -3.910 483 HG13 ILE 64 3HG1 ILE 64 -1.981 -8.015 -3.193 484 HG21 ILE 64 1HG2 ILE 64 -0.287 -11.021 -4.018 485 HG22 ILE 64 2HG2 ILE 64 -1.677 -10.313 -3.198 486 HG23 ILE 64 3HG2 ILE 64 -1.821 -10.849 -4.871 487 HD11 ILE 64 1HD1 ILE 64 0.747 -7.497 -2.322 488 HD12 ILE 64 2HD1 ILE 64 -0.655 -8.057 -1.408 489 HD13 ILE 64 3HD1 ILE 64 0.319 -9.208 -2.323 490 H CYS 65 H CYS 65 -0.092 -8.991 -7.464 491 HA CYS 65 HA CYS 65 -0.070 -11.663 -8.180 492 HB2 CYS 65 2HB CYS 65 -1.138 -9.899 -9.521 493 HB3 CYS 65 3HB CYS 65 0.447 -9.278 -9.969 494 HG CYS 65 HG CYS 65 -1.162 -12.038 -11.085 495 H ASP 66 H ASP 66 2.562 -9.378 -8.051 496 HA ASP 66 HA ASP 66 4.400 -11.044 -9.509 497 HB2 ASP 66 2HB ASP 66 5.012 -8.667 -7.744 498 HB3 ASP 66 3HB ASP 66 6.065 -9.373 -8.967 499 H LEU 67 H LEU 67 4.352 -9.901 -6.128 500 HA LEU 67 HA LEU 67 6.340 -11.533 -5.131 501 HB2 LEU 67 2HB LEU 67 4.068 -10.054 -4.020 502 HB3 LEU 67 3HB LEU 67 4.604 -11.410 -3.030 503 HG LEU 67 HG LEU 67 6.882 -9.877 -3.833 504 HD11 LEU 67 1HD1 LEU 67 4.811 -8.262 -2.362 505 HD12 LEU 67 2HD1 LEU 67 5.165 -8.072 -4.079 506 HD13 LEU 67 3HD1 LEU 67 6.417 -7.748 -2.881 507 HD21 LEU 67 1HD2 LEU 67 5.857 -9.788 -1.060 508 HD22 LEU 67 2HD2 LEU 67 7.468 -10.175 -1.665 509 HD23 LEU 67 3HD2 LEU 67 6.184 -11.382 -1.738 510 H GLN 68 H GLN 68 2.924 -12.257 -5.620 511 HA GLN 68 HA GLN 68 3.018 -14.811 -4.351 512 HB2 GLN 68 2HB GLN 68 0.915 -13.612 -4.533 513 HB3 GLN 68 3HB GLN 68 1.025 -13.626 -6.289 514 HG2 GLN 68 2HG GLN 68 1.160 -16.280 -5.086 515 HG3 GLN 68 3HG GLN 68 -0.347 -15.425 -4.763 516 HE21 GLN 68 1HE2 GLN 68 -1.869 -15.484 -6.264 517 HE22 GLN 68 2HE2 GLN 68 -1.650 -15.983 -7.904 518 H GLU 69 H GLU 69 3.130 -13.716 -7.721 519 HA GLU 69 HA GLU 69 3.099 -16.157 -9.014 520 HB2 GLU 69 2HB GLU 69 2.996 -14.140 -10.294 521 HB3 GLU 69 3HB GLU 69 4.562 -13.608 -9.697 522 HG2 GLU 69 2HG GLU 69 5.722 -15.130 -11.017 523 HG3 GLU 69 3HG GLU 69 4.296 -16.130 -11.284 524 H ARG 70 H ARG 70 5.794 -14.503 -7.454 525 HA ARG 70 HA ARG 70 7.767 -16.385 -8.318 526 HB2 ARG 70 2HB ARG 70 7.811 -14.311 -6.120 527 HB3 ARG 70 3HB ARG 70 9.206 -15.258 -6.618 528 HG2 ARG 70 2HG ARG 70 7.874 -13.887 -8.824 529 HG3 ARG 70 3HG ARG 70 8.522 -12.802 -7.592 530 HD2 ARG 70 2HD ARG 70 10.671 -13.335 -8.063 531 HD3 ARG 70 3HD ARG 70 10.284 -15.014 -8.439 532 HE ARG 70 HE ARG 70 10.015 -14.429 -10.644 533 HH11 ARG 70 1HH1 ARG 70 10.158 -11.555 -8.685 534 HH12 ARG 70 2HH1 ARG 70 10.269 -10.480 -10.040 535 HH21 ARG 70 1HH2 ARG 70 10.160 -13.024 -12.435 536 HH22 ARG 70 2HH2 ARG 70 10.269 -11.316 -12.172 537 H ARG 71 H ARG 71 6.350 -15.710 -5.111 538 HA ARG 71 HA ARG 71 7.468 -17.822 -3.728 539 HB2 ARG 71 2HB ARG 71 6.293 -16.120 -2.531 540 HB3 ARG 71 3HB ARG 71 4.798 -16.463 -3.389 541 HG2 ARG 71 2HG ARG 71 5.894 -18.751 -1.932 542 HG3 ARG 71 3HG ARG 71 5.429 -17.387 -0.914 543 HD2 ARG 71 2HD ARG 71 3.284 -17.477 -2.505 544 HD3 ARG 71 3HD ARG 71 3.761 -19.173 -2.587 545 HE ARG 71 HE ARG 71 3.678 -18.193 0.096 546 HH11 ARG 71 1HH1 ARG 71 1.732 -19.417 -2.519 547 HH12 ARG 71 2HH1 ARG 71 0.478 -20.010 -1.481 548 HH21 ARG 71 1HH2 ARG 71 2.035 -18.969 1.473 549 HH22 ARG 71 2HH2 ARG 71 0.651 -19.754 0.790 550 H GLU 72 H GLU 72 4.811 -17.818 -5.979 551 HA GLU 72 HA GLU 72 3.805 -20.399 -5.273 552 HB2 GLU 72 2HB GLU 72 2.319 -18.854 -6.355 553 HB3 GLU 72 3HB GLU 72 3.419 -18.664 -7.713 554 HG2 GLU 72 2HG GLU 72 1.430 -20.087 -8.171 555 HG3 GLU 72 3HG GLU 72 2.981 -20.864 -8.488 556 H LYS 73 H LYS 73 5.699 -19.210 -8.050 557 HA LYS 73 HA LYS 73 6.129 -21.611 -9.340 558 HB2 LYS 73 2HB LYS 73 7.028 -19.008 -9.630 559 HB3 LYS 73 3HB LYS 73 8.506 -19.916 -9.338 560 HG2 LYS 73 2HG LYS 73 7.542 -21.519 -11.158 561 HG3 LYS 73 3HG LYS 73 6.580 -20.108 -11.604 562 HD2 LYS 73 2HD LYS 73 8.334 -19.445 -12.812 563 HD3 LYS 73 3HD LYS 73 9.141 -19.099 -11.281 564 HE2 LYS 73 2HE LYS 73 9.201 -21.830 -12.530 565 HE3 LYS 73 3HE LYS 73 10.368 -20.583 -12.966 566 HZ1 LYS 73 1HZ LYS 73 11.361 -20.666 -10.934 567 HZ2 LYS 73 2HZ LYS 73 10.848 -22.273 -11.045 568 HZ3 LYS 73 3HZ LYS 73 9.961 -21.167 -10.125 569 H PHE 74 H PHE 74 7.651 -20.352 -6.462 570 HA PHE 74 HA PHE 74 9.619 -22.502 -6.429 571 HB2 PHE 74 2HB PHE 74 9.245 -19.945 -4.966 572 HB3 PHE 74 3HB PHE 74 10.051 -21.246 -4.096 573 HD1 PHE 74 HD1 PHE 74 10.276 -18.880 -6.861 574 HD2 PHE 74 HD2 PHE 74 12.213 -22.076 -4.823 575 HE1 PHE 74 HE1 PHE 74 12.387 -18.319 -7.995 576 HE2 PHE 74 HE2 PHE 74 14.327 -21.520 -5.953 577 HZ PHE 74 HZ PHE 74 14.416 -19.639 -7.541 578 H GLY 75 H GLY 75 6.587 -21.626 -4.994 579 HA2 GLY 75 2HA GLY 75 5.531 -23.861 -4.195 580 HA3 GLY 75 3HA GLY 75 6.827 -23.780 -3.011 581 H SER 76 H SER 76 6.463 -22.722 -1.166 582 HA SER 76 HA SER 76 4.482 -20.599 -1.049 583 HB2 SER 76 2HB SER 76 4.172 -23.248 0.339 584 HB3 SER 76 3HB SER 76 3.471 -21.783 1.028 585 HG SER 76 HG SER 76 2.843 -23.104 -1.370 586 H SER 77 H SER 77 4.341 -19.786 1.325 587 HA SER 77 HA SER 77 6.497 -20.226 3.088 588 HB2 SER 77 2HB SER 77 7.988 -19.165 1.625 589 HB3 SER 77 3HB SER 77 6.789 -17.978 1.112 590 HG SER 77 HG SER 77 7.696 -18.080 3.781 591 H LYS 78 H LYS 78 6.028 -19.393 5.045 592 HA LYS 78 HA LYS 78 3.503 -18.172 5.466 593 HB2 LYS 78 2HB LYS 78 5.667 -19.235 7.093 594 HB3 LYS 78 3HB LYS 78 4.967 -17.784 7.800 595 HG2 LYS 78 2HG LYS 78 3.135 -18.866 8.437 596 HG3 LYS 78 3HG LYS 78 2.935 -19.621 6.854 597 HD2 LYS 78 2HD LYS 78 5.020 -21.040 7.740 598 HD3 LYS 78 3HD LYS 78 4.286 -20.630 9.291 599 HE2 LYS 78 2HE LYS 78 2.728 -22.185 8.996 600 HE3 LYS 78 3HE LYS 78 2.238 -21.442 7.475 601 HZ1 LYS 78 1HZ LYS 78 2.867 -23.528 6.806 602 HZ2 LYS 78 2HZ LYS 78 4.119 -23.652 7.936 603 HZ3 LYS 78 3HZ LYS 78 4.310 -22.677 6.567 604 H GLU 79 H GLU 79 6.832 -16.956 5.631 605 HA GLU 79 HA GLU 79 6.205 -14.352 6.483 606 HB2 GLU 79 2HB GLU 79 8.540 -15.171 4.750 607 HB3 GLU 79 3HB GLU 79 8.437 -13.748 5.778 608 HG2 GLU 79 2HG GLU 79 7.991 -15.685 7.595 609 HG3 GLU 79 3HG GLU 79 9.038 -16.542 6.464 610 H ILE 80 H ILE 80 6.647 -15.701 3.231 611 HA ILE 80 HA ILE 80 6.286 -13.289 1.822 612 HB ILE 80 HB ILE 80 5.705 -16.105 0.899 613 HG12 ILE 80 2HG1 ILE 80 8.185 -14.405 0.550 614 HG13 ILE 80 3HG1 ILE 80 8.030 -15.744 1.682 615 HG21 ILE 80 1HG2 ILE 80 5.256 -13.582 -0.352 616 HG22 ILE 80 2HG2 ILE 80 6.529 -14.436 -1.222 617 HG23 ILE 80 3HG2 ILE 80 4.958 -15.201 -0.984 618 HD11 ILE 80 1HD1 ILE 80 9.042 -16.839 -0.014 619 HD12 ILE 80 2HD1 ILE 80 7.372 -17.027 -0.549 620 HD13 ILE 80 3HD1 ILE 80 8.386 -15.765 -1.248 621 H ASP 81 H ASP 81 3.987 -15.957 2.396 622 HA ASP 81 HA ASP 81 1.749 -14.843 1.226 623 HB2 ASP 81 2HB ASP 81 1.644 -17.108 1.943 624 HB3 ASP 81 3HB ASP 81 2.018 -16.672 3.609 625 H MET 82 H MET 82 3.144 -14.208 4.384 626 HA MET 82 HA MET 82 0.982 -12.764 5.475 627 HB2 MET 82 2HB MET 82 3.605 -13.483 6.264 628 HB3 MET 82 3HB MET 82 3.480 -11.738 6.437 629 HG2 MET 82 2HG MET 82 2.450 -12.043 8.363 630 HG3 MET 82 3HG MET 82 1.111 -12.790 7.496 631 HE1 MET 82 1HE MET 82 1.499 -14.240 10.620 632 HE2 MET 82 2HE MET 82 3.244 -14.456 10.758 633 HE3 MET 82 3HE MET 82 2.582 -12.884 10.305 634 H ALA 83 H ALA 83 4.008 -11.568 4.008 635 HA ALA 83 HA ALA 83 3.459 -8.866 4.047 636 HB1 ALA 83 1HB ALA 83 5.623 -9.441 3.418 637 HB2 ALA 83 2HB ALA 83 5.069 -10.559 2.171 638 HB3 ALA 83 3HB ALA 83 4.918 -8.818 1.926 639 H ILE 84 H ILE 84 2.309 -11.319 1.816 640 HA ILE 84 HA ILE 84 1.267 -9.594 -0.157 641 HB ILE 84 HB ILE 84 0.342 -12.366 0.603 642 HG12 ILE 84 2HG1 ILE 84 2.112 -11.640 -1.718 643 HG13 ILE 84 3HG1 ILE 84 2.790 -11.955 -0.125 644 HG21 ILE 84 1HG2 ILE 84 -1.264 -12.133 -0.908 645 HG22 ILE 84 2HG2 ILE 84 -0.756 -10.472 -1.207 646 HG23 ILE 84 3HG2 ILE 84 -0.053 -11.790 -2.143 647 HD11 ILE 84 1HD1 ILE 84 2.105 -13.806 -2.130 648 HD12 ILE 84 2HD1 ILE 84 2.729 -14.127 -0.511 649 HD13 ILE 84 3HD1 ILE 84 0.989 -14.056 -0.787 650 H VAL 85 H VAL 85 -0.435 -11.354 2.440 651 HA VAL 85 HA VAL 85 -2.942 -10.212 2.075 652 HB VAL 85 HB VAL 85 -1.767 -11.043 4.730 653 HG11 VAL 85 1HG1 VAL 85 -4.478 -10.356 3.772 654 HG12 VAL 85 2HG1 VAL 85 -4.348 -11.750 4.846 655 HG13 VAL 85 3HG1 VAL 85 -3.757 -10.172 5.371 656 HG21 VAL 85 1HG2 VAL 85 -1.632 -13.109 3.924 657 HG22 VAL 85 2HG2 VAL 85 -3.377 -13.088 3.676 658 HG23 VAL 85 3HG2 VAL 85 -2.296 -12.593 2.374 659 H THR 86 H THR 86 -0.113 -8.967 3.703 660 HA THR 86 HA THR 86 -1.359 -6.904 5.170 661 HB THR 86 HB THR 86 1.425 -6.642 4.073 662 HG1 THR 86 HG1 THR 86 0.425 -8.599 5.783 663 HG21 THR 86 1HG2 THR 86 -0.141 -5.288 6.013 664 HG22 THR 86 2HG2 THR 86 1.539 -4.992 5.565 665 HG23 THR 86 3HG2 THR 86 1.158 -6.123 6.861 666 H LEU 87 H LEU 87 0.299 -6.848 2.016 667 HA LEU 87 HA LEU 87 -0.201 -4.134 1.466 668 HB2 LEU 87 2HB LEU 87 0.249 -6.435 -0.428 669 HB3 LEU 87 3HB LEU 87 0.295 -4.732 -0.878 670 HG LEU 87 HG LEU 87 2.124 -5.552 1.293 671 HD11 LEU 87 1HD1 LEU 87 3.618 -6.760 0.031 672 HD12 LEU 87 2HD1 LEU 87 2.968 -6.173 -1.499 673 HD13 LEU 87 3HD1 LEU 87 2.078 -7.378 -0.569 674 HD21 LEU 87 1HD2 LEU 87 1.763 -3.328 -0.264 675 HD22 LEU 87 2HD2 LEU 87 3.130 -4.123 -1.046 676 HD23 LEU 87 3HD2 LEU 87 3.215 -3.704 0.665 677 H LYS 88 H LYS 88 -2.155 -6.983 1.135 678 HA LYS 88 HA LYS 88 -4.065 -5.840 -0.668 679 HB2 LYS 88 2HB LYS 88 -4.273 -8.250 1.147 680 HB3 LYS 88 3HB LYS 88 -5.430 -7.827 -0.108 681 HG2 LYS 88 2HG LYS 88 -3.959 -8.356 -1.822 682 HG3 LYS 88 3HG LYS 88 -2.543 -8.236 -0.775 683 HD2 LYS 88 2HD LYS 88 -2.648 -10.416 -0.350 684 HD3 LYS 88 3HD LYS 88 -4.291 -10.234 0.271 685 HE2 LYS 88 2HE LYS 88 -5.243 -10.927 -1.670 686 HE3 LYS 88 3HE LYS 88 -3.972 -10.225 -2.670 687 HZ1 LYS 88 1HZ LYS 88 -4.233 -12.822 -2.323 688 HZ2 LYS 88 2HZ LYS 88 -3.236 -12.496 -0.995 689 HZ3 LYS 88 3HZ LYS 88 -2.725 -12.091 -2.555 690 H VAL 89 H VAL 89 -4.368 -6.831 2.749 691 HA VAL 89 HA VAL 89 -6.801 -5.657 3.296 692 HB VAL 89 HB VAL 89 -6.176 -5.644 5.644 693 HG11 VAL 89 1HG1 VAL 89 -5.737 -7.919 3.881 694 HG12 VAL 89 2HG1 VAL 89 -4.898 -8.071 5.426 695 HG13 VAL 89 3HG1 VAL 89 -6.643 -7.813 5.390 696 HG21 VAL 89 1HG2 VAL 89 -3.366 -6.118 4.654 697 HG22 VAL 89 2HG2 VAL 89 -3.961 -4.671 5.469 698 HG23 VAL 89 3HG2 VAL 89 -3.879 -6.203 6.340 699 H PHE 90 H PHE 90 -3.637 -4.168 3.107 700 HA PHE 90 HA PHE 90 -4.498 -1.662 4.225 701 HB2 PHE 90 2HB PHE 90 -2.187 -2.277 4.502 702 HB3 PHE 90 3HB PHE 90 -1.981 -2.480 2.765 703 HD1 PHE 90 HD1 PHE 90 -2.138 -0.115 5.520 704 HD2 PHE 90 HD2 PHE 90 -1.857 -0.533 1.294 705 HE1 PHE 90 HE1 PHE 90 -1.415 2.230 5.340 706 HE2 PHE 90 HE2 PHE 90 -1.132 1.811 1.106 707 HZ PHE 90 HZ PHE 90 -0.908 3.195 3.131 708 H ALA 91 H ALA 91 -4.005 -2.998 1.007 709 HA ALA 91 HA ALA 91 -4.311 -0.581 -0.430 710 HB1 ALA 91 1HB ALA 91 -3.290 -2.453 -1.507 711 HB2 ALA 91 2HB ALA 91 -4.725 -3.449 -1.255 712 HB3 ALA 91 3HB ALA 91 -4.784 -2.083 -2.369 713 H VAL 92 H VAL 92 -6.616 -3.177 0.355 714 HA VAL 92 HA VAL 92 -8.839 -1.904 -0.878 715 HB VAL 92 HB VAL 92 -8.940 -3.973 1.318 716 HG11 VAL 92 1HG1 VAL 92 -10.997 -2.602 0.323 717 HG12 VAL 92 2HG1 VAL 92 -10.897 -3.867 -0.904 718 HG13 VAL 92 3HG1 VAL 92 -11.125 -4.297 0.792 719 HG21 VAL 92 1HG2 VAL 92 -7.948 -5.401 -0.065 720 HG22 VAL 92 2HG2 VAL 92 -9.302 -5.203 -1.177 721 HG23 VAL 92 3HG2 VAL 92 -7.872 -4.184 -1.340 722 H ALA 93 H ALA 93 -8.033 -2.387 2.566 723 HA ALA 93 HA ALA 93 -10.080 -0.696 3.534 724 HB1 ALA 93 1HB ALA 93 -7.625 -1.061 5.153 725 HB2 ALA 93 2HB ALA 93 -9.321 -1.215 5.612 726 HB3 ALA 93 3HB ALA 93 -8.530 -2.508 4.709 727 H GLY 94 H GLY 94 -7.147 0.006 2.000 728 HA2 GLY 94 2HA GLY 94 -6.914 2.644 3.262 729 HA3 GLY 94 3HA GLY 94 -5.728 1.902 2.199 730 H LEU 95 H LEU 95 -6.465 1.593 -0.103 731 HA LEU 95 HA LEU 95 -7.178 4.068 -1.208 732 HB2 LEU 95 2HB LEU 95 -7.061 1.291 -2.341 733 HB3 LEU 95 3HB LEU 95 -7.525 2.678 -3.324 734 HG LEU 95 HG LEU 95 -5.226 2.223 -3.742 735 HD11 LEU 95 1HD1 LEU 95 -5.305 4.542 -1.823 736 HD12 LEU 95 2HD1 LEU 95 -5.923 4.602 -3.474 737 HD13 LEU 95 3HD1 LEU 95 -4.209 4.308 -3.185 738 HD21 LEU 95 1HD2 LEU 95 -3.551 2.016 -2.060 739 HD22 LEU 95 2HD2 LEU 95 -4.870 0.928 -1.627 740 HD23 LEU 95 3HD2 LEU 95 -4.687 2.469 -0.789 741 H LEU 96 H LEU 96 -9.080 1.132 -0.666 742 HA LEU 96 HA LEU 96 -11.477 2.409 -1.705 743 HB2 LEU 96 2HB LEU 96 -10.626 -0.159 -1.751 744 HB3 LEU 96 3HB LEU 96 -11.692 -0.195 -0.349 745 HG LEU 96 HG LEU 96 -13.351 0.976 -2.066 746 HD11 LEU 96 1HD1 LEU 96 -13.038 -0.264 -4.271 747 HD12 LEU 96 2HD1 LEU 96 -11.366 -0.503 -3.763 748 HD13 LEU 96 3HD1 LEU 96 -12.000 1.130 -3.972 749 HD21 LEU 96 1HD2 LEU 96 -13.059 -1.540 -0.932 750 HD22 LEU 96 2HD2 LEU 96 -13.303 -1.857 -2.650 751 HD23 LEU 96 3HD2 LEU 96 -14.488 -0.910 -1.750 752 H ASN 97 H ASN 97 -9.850 2.493 1.142 753 HA ASN 97 HA ASN 97 -10.373 2.978 3.307 754 HB2 ASN 97 2HB ASN 97 -12.901 4.172 2.163 755 HB3 ASN 97 3HB ASN 97 -12.042 4.661 3.621 756 HD21 ASN 97 1HD2 ASN 97 -10.342 6.035 3.476 757 HD22 ASN 97 2HD2 ASN 97 -9.831 6.778 2.002 758 H MET 98 H MET 98 -11.309 0.414 2.246 759 HA MET 98 HA MET 98 -13.895 -0.112 3.357 760 HB2 MET 98 2HB MET 98 -12.182 -1.419 1.596 761 HB3 MET 98 3HB MET 98 -12.212 -2.458 3.015 762 HG2 MET 98 2HG MET 98 -14.831 -1.996 2.765 763 HG3 MET 98 3HG MET 98 -14.345 -1.819 1.081 764 HE1 MET 98 1HE MET 98 -16.348 -4.240 1.263 765 HE2 MET 98 2HE MET 98 -15.390 -3.545 -0.045 766 HE3 MET 98 3HE MET 98 -15.328 -5.280 0.268 767 H THR 99 H THR 99 -14.150 -1.942 4.982 768 HA THR 99 HA THR 99 -12.236 -1.531 7.186 769 HB THR 99 HB THR 99 -14.061 -1.975 8.747 770 HG1 THR 99 HG1 THR 99 -15.409 -3.301 7.557 771 HG21 THR 99 1HG2 THR 99 -13.768 0.311 7.162 772 HG22 THR 99 2HG2 THR 99 -14.572 0.196 8.727 773 HG23 THR 99 3HG2 THR 99 -15.504 0.015 7.240 774 H VAL 100 H VAL 100 -11.099 -3.345 6.002 775 HA VAL 100 HA VAL 100 -12.043 -5.923 5.745 776 HB VAL 100 HB VAL 100 -9.255 -5.132 6.603 777 HG11 VAL 100 1HG1 VAL 100 -10.212 -7.616 5.183 778 HG12 VAL 100 2HG1 VAL 100 -8.553 -7.244 5.654 779 HG13 VAL 100 3HG1 VAL 100 -9.779 -7.528 6.890 780 HG21 VAL 100 1HG2 VAL 100 -9.904 -3.956 4.587 781 HG22 VAL 100 2HG2 VAL 100 -8.733 -5.214 4.195 782 HG23 VAL 100 3HG2 VAL 100 -10.444 -5.464 3.850 783 H SER 101 H SER 101 -12.884 -7.292 7.159 784 HA SER 101 HA SER 101 -12.725 -6.856 9.977 785 HB2 SER 101 2HB SER 101 -14.150 -8.680 8.158 786 HB3 SER 101 3HB SER 101 -13.758 -9.378 9.730 787 HG SER 101 HG SER 101 -14.916 -6.818 9.550 788 H THR 102 H THR 102 -11.290 -9.175 7.731 789 HA THR 102 HA THR 102 -9.242 -9.775 9.726 790 HB THR 102 HB THR 102 -9.409 -12.153 9.500 791 HG1 THR 102 HG1 THR 102 -11.720 -11.967 7.899 792 HG21 THR 102 1HG2 THR 102 -10.878 -11.253 11.183 793 HG22 THR 102 2HG2 THR 102 -11.706 -12.581 10.370 794 HG23 THR 102 3HG2 THR 102 -12.119 -10.912 9.978 795 H ALA 103 H ALA 103 -7.295 -10.605 8.844 796 HA ALA 103 HA ALA 103 -6.469 -9.499 6.445 797 HB1 ALA 103 1HB ALA 103 -4.563 -10.058 7.447 798 HB2 ALA 103 2HB ALA 103 -5.357 -11.292 8.425 799 HB3 ALA 103 3HB ALA 103 -4.797 -11.681 6.798 800 H ALA 104 H ALA 104 -7.790 -12.701 7.091 801 HA ALA 104 HA ALA 104 -7.276 -13.775 4.512 802 HB1 ALA 104 1HB ALA 104 -8.375 -15.661 5.224 803 HB2 ALA 104 2HB ALA 104 -7.889 -14.955 6.766 804 HB3 ALA 104 3HB ALA 104 -9.542 -14.753 6.186 805 H ALA 105 H ALA 105 -9.954 -11.991 5.927 806 HA ALA 105 HA ALA 105 -11.848 -12.421 3.891 807 HB1 ALA 105 1HB ALA 105 -12.717 -11.559 5.868 808 HB2 ALA 105 2HB ALA 105 -11.498 -10.288 5.966 809 HB3 ALA 105 3HB ALA 105 -12.784 -10.186 4.763 810 H ALA 106 H ALA 106 -9.381 -9.915 4.319 811 HA ALA 106 HA ALA 106 -10.112 -8.373 2.062 812 HB1 ALA 106 1HB ALA 106 -8.708 -7.013 3.117 813 HB2 ALA 106 2HB ALA 106 -8.042 -8.343 4.065 814 HB3 ALA 106 3HB ALA 106 -7.381 -7.979 2.471 815 H GLU 107 H GLU 107 -7.448 -10.702 2.525 816 HA GLU 107 HA GLU 107 -6.440 -10.667 -0.055 817 HB2 GLU 107 2HB GLU 107 -5.223 -11.790 1.669 818 HB3 GLU 107 3HB GLU 107 -6.555 -12.895 1.976 819 HG2 GLU 107 2HG GLU 107 -5.656 -13.017 -0.773 820 HG3 GLU 107 3HG GLU 107 -4.359 -13.360 0.370 821 H ASN 108 H ASN 108 -9.263 -12.282 1.220 822 HA ASN 108 HA ASN 108 -9.680 -14.027 -0.988 823 HB2 ASN 108 2HB ASN 108 -11.077 -13.311 1.477 824 HB3 ASN 108 3HB ASN 108 -12.177 -13.614 0.136 825 HD21 ASN 108 1HD2 ASN 108 -12.426 -15.656 -0.635 826 HD22 ASN 108 2HD2 ASN 108 -11.705 -17.048 0.094 827 H MET 109 H MET 109 -11.125 -10.909 -0.061 828 HA MET 109 HA MET 109 -12.796 -10.672 -2.317 829 HB2 MET 109 2HB MET 109 -12.021 -9.035 -0.058 830 HB3 MET 109 3HB MET 109 -12.140 -8.071 -1.523 831 HG2 MET 109 2HG MET 109 -14.304 -7.929 -1.020 832 HG3 MET 109 3HG MET 109 -14.407 -9.565 -1.667 833 HE1 MET 109 1HE MET 109 -13.520 -8.096 2.308 834 HE2 MET 109 2HE MET 109 -14.343 -7.196 1.033 835 HE3 MET 109 3HE MET 109 -15.279 -7.961 2.318 836 H TYR 110 H TYR 110 -9.474 -9.672 -1.705 837 HA TYR 110 HA TYR 110 -9.113 -8.088 -3.998 838 HB2 TYR 110 2HB TYR 110 -7.567 -8.780 -1.830 839 HB3 TYR 110 3HB TYR 110 -6.745 -9.597 -3.155 840 HD1 TYR 110 HD1 TYR 110 -8.453 -6.284 -2.825 841 HD2 TYR 110 HD2 TYR 110 -4.904 -8.398 -3.842 842 HE1 TYR 110 HE1 TYR 110 -7.379 -4.163 -3.457 843 HE2 TYR 110 HE2 TYR 110 -3.819 -6.283 -4.476 844 HH TYR 110 HH TYR 110 -4.446 -4.032 -5.179 845 H SER 111 H SER 111 -8.220 -11.492 -3.424 846 HA SER 111 HA SER 111 -7.393 -11.976 -6.086 847 HB2 SER 111 2HB SER 111 -7.452 -14.362 -5.448 848 HB3 SER 111 3HB SER 111 -6.643 -13.381 -4.225 849 HG SER 111 HG SER 111 -8.421 -15.028 -3.652 850 H GLN 112 H GLN 112 -10.440 -12.528 -4.375 851 HA GLN 112 HA GLN 112 -11.757 -13.882 -6.470 852 HB2 GLN 112 2HB GLN 112 -12.521 -13.889 -4.115 853 HB3 GLN 112 3HB GLN 112 -12.969 -12.196 -4.273 854 HG2 GLN 112 2HG GLN 112 -14.644 -12.738 -5.910 855 HG3 GLN 112 3HG GLN 112 -14.135 -14.426 -5.921 856 HE21 GLN 112 1HE2 GLN 112 -14.761 -12.120 -3.302 857 HE22 GLN 112 2HE2 GLN 112 -15.935 -13.095 -2.492 858 H MET 113 H MET 113 -11.221 -10.503 -5.802 859 HA MET 113 HA MET 113 -13.206 -9.484 -7.567 860 HB2 MET 113 2HB MET 113 -10.886 -8.371 -6.078 861 HB3 MET 113 3HB MET 113 -11.486 -7.442 -7.445 862 HG2 MET 113 2HG MET 113 -13.618 -7.193 -6.466 863 HG3 MET 113 3HG MET 113 -13.273 -8.407 -5.237 864 HE1 MET 113 1HE MET 113 -14.290 -5.071 -4.703 865 HE2 MET 113 2HE MET 113 -14.447 -6.592 -3.822 866 HE3 MET 113 3HE MET 113 -13.605 -5.228 -3.085 867 H GLY 114 H GLY 114 -10.069 -10.815 -8.021 868 HA2 GLY 114 2HA GLY 114 -9.468 -11.540 -10.254 869 HA3 GLY 114 3HA GLY 114 -10.214 -10.076 -10.874 870 H LEU 115 H LEU 115 -8.231 -9.914 -8.036 871 HA LEU 115 HA LEU 115 -6.243 -8.399 -9.572 872 HB2 LEU 115 2HB LEU 115 -6.909 -8.465 -6.637 873 HB3 LEU 115 3HB LEU 115 -5.518 -7.605 -7.296 874 HG LEU 115 HG LEU 115 -7.318 -6.399 -8.756 875 HD11 LEU 115 1HD1 LEU 115 -9.220 -7.728 -8.171 876 HD12 LEU 115 2HD1 LEU 115 -9.439 -6.115 -7.492 877 HD13 LEU 115 3HD1 LEU 115 -8.947 -7.450 -6.451 878 HD21 LEU 115 1HD2 LEU 115 -5.923 -5.760 -6.494 879 HD22 LEU 115 2HD2 LEU 115 -7.587 -5.441 -6.007 880 HD23 LEU 115 3HD2 LEU 115 -6.914 -4.642 -7.429 881 H ASP 116 H ASP 116 -6.686 -11.294 -7.767 882 HA ASP 116 HA ASP 116 -3.915 -12.039 -8.295 883 HB2 ASP 116 2HB ASP 116 -3.966 -11.143 -5.976 884 HB3 ASP 116 3HB ASP 116 -5.169 -12.361 -5.560 885 H THR 117 H THR 117 -3.583 -14.245 -8.546 886 HA THR 117 HA THR 117 -4.111 -16.390 -9.098 887 HB THR 117 HB THR 117 -6.644 -16.412 -7.553 888 HG1 THR 117 HG1 THR 117 -5.528 -16.323 -5.580 889 HG21 THR 117 1HG2 THR 117 -4.860 -18.341 -6.624 890 HG22 THR 117 2HG2 THR 117 -4.539 -18.230 -8.354 891 HG23 THR 117 3HG2 THR 117 -6.169 -18.582 -7.780 892 H ARG 118 H ARG 118 -5.930 -17.793 -10.043 893 HA ARG 118 HA ARG 118 -7.105 -16.333 -12.202 894 HB2 ARG 118 2HB ARG 118 -6.930 -19.191 -11.388 895 HB3 ARG 118 3HB ARG 118 -8.214 -18.740 -12.502 896 HG2 ARG 118 2HG ARG 118 -6.379 -17.642 -13.896 897 HG3 ARG 118 3HG ARG 118 -5.249 -18.549 -12.889 898 HD2 ARG 118 2HD ARG 118 -5.956 -20.590 -13.704 899 HD3 ARG 118 3HD ARG 118 -7.535 -19.967 -14.182 900 HE ARG 118 HE ARG 118 -6.654 -19.500 -16.228 901 HH11 ARG 118 1HH1 ARG 118 -4.050 -19.689 -13.924 902 HH12 ARG 118 2HH1 ARG 118 -2.808 -19.489 -15.115 903 HH21 ARG 118 1HH2 ARG 118 -5.028 -19.237 -17.806 904 HH22 ARG 118 2HH2 ARG 118 -3.365 -19.232 -17.323 905 HA PRO 119 HA PRO 119 -11.159 -15.543 -10.724 906 HB2 PRO 119 2HB PRO 119 -12.694 -16.086 -12.897 907 HB3 PRO 119 3HB PRO 119 -11.642 -14.669 -12.793 908 HG2 PRO 119 2HG PRO 119 -11.160 -17.289 -14.159 909 HG3 PRO 119 3HG PRO 119 -10.813 -15.648 -14.733 910 HD2 PRO 119 2HD PRO 119 -8.905 -17.260 -13.686 911 HD3 PRO 119 3HD PRO 119 -8.869 -15.494 -13.503 912 H21 MYR 201 1H2 MYR 1 6.085 8.847 4.133 913 H22 MYR 201 2H2 MYR 1 7.459 9.583 3.332 914 H31 MYR 201 1H3 MYR 1 5.992 11.565 2.646 915 H32 MYR 201 2H3 MYR 1 4.627 10.850 3.507 916 H41 MYR 201 1H4 MYR 1 6.056 9.193 1.355 917 H42 MYR 201 2H4 MYR 1 4.945 10.469 0.852 918 H51 MYR 201 1H5 MYR 1 3.143 9.121 1.274 919 H52 MYR 201 2H5 MYR 1 3.612 8.974 2.969 920 H61 MYR 201 1H6 MYR 1 5.249 7.101 2.307 921 H62 MYR 201 2H6 MYR 1 4.653 7.209 0.649 922 H71 MYR 201 1H7 MYR 1 2.408 6.969 2.603 923 H72 MYR 201 2H7 MYR 1 3.553 5.636 2.769 924 H81 MYR 201 1H8 MYR 1 3.021 6.191 -0.100 925 H82 MYR 201 2H8 MYR 1 1.505 5.940 0.769 926 H91 MYR 201 1H9 MYR 1 3.343 3.912 1.737 927 H92 MYR 201 2H9 MYR 1 3.541 3.955 -0.014 928 H101 MYR 201 1H10 MYR 1 1.068 3.688 -0.340 929 H102 MYR 201 2H10 MYR 1 0.788 3.724 1.394 930 H111 MYR 201 1H11 MYR 1 0.732 1.385 0.527 931 H112 MYR 201 2H11 MYR 1 2.035 1.595 1.685 932 H121 MYR 201 1H12 MYR 1 3.763 1.566 -0.005 933 H122 MYR 201 2H12 MYR 1 2.625 1.875 -1.318 934 H131 MYR 201 1H13 MYR 1 3.374 -0.534 -1.271 935 H132 MYR 201 2H13 MYR 1 1.623 -0.385 -1.096 936 H141 MYR 201 1H14 MYR 1 1.707 -1.509 0.931 937 H142 MYR 201 2H14 MYR 1 3.462 -1.706 0.715 938 H143 MYR 201 3H14 MYR 1 2.832 -0.297 1.599 Start of MODEL 18 1 H GLY 2 H GLY 2 7.070 9.270 8.711 2 HA2 GLY 2 2HA GLY 2 9.126 7.972 9.522 3 HA3 GLY 2 3HA GLY 2 9.978 9.463 9.148 4 H ASN 3 H ASN 3 8.246 11.371 10.088 5 HA ASN 3 HA ASN 3 8.401 10.882 12.976 6 HB2 ASN 3 2HB ASN 3 9.274 13.013 11.449 7 HB3 ASN 3 3HB ASN 3 7.764 13.610 12.131 8 HD21 ASN 3 1HD2 ASN 3 7.518 13.212 14.517 9 HD22 ASN 3 2HD2 ASN 3 8.917 13.473 15.497 10 H GLY 4 H GLY 4 6.185 11.744 10.404 11 HA2 GLY 4 2HA GLY 4 3.882 10.764 11.142 12 HA3 GLY 4 3HA GLY 4 3.996 12.049 12.335 13 H GLN 5 H GLN 5 3.900 11.395 8.863 14 HA GLN 5 HA GLN 5 2.456 13.915 8.501 15 HB2 GLN 5 2HB GLN 5 4.766 14.435 7.934 16 HB3 GLN 5 3HB GLN 5 4.834 13.056 6.845 17 HG2 GLN 5 2HG GLN 5 3.472 14.071 5.267 18 HG3 GLN 5 3HG GLN 5 2.822 15.225 6.430 19 HE21 GLN 5 1HE2 GLN 5 4.307 16.865 7.241 20 HE22 GLN 5 2HE2 GLN 5 5.543 17.465 6.192 21 H GLY 6 H GLY 6 1.041 13.952 6.722 22 HA2 GLY 6 2HA GLY 6 0.087 12.985 4.752 23 HA3 GLY 6 3HA GLY 6 0.751 11.432 5.236 24 H ARG 7 H ARG 7 -2.019 13.263 5.063 25 HA ARG 7 HA ARG 7 -3.387 12.388 7.396 26 HB2 ARG 7 2HB ARG 7 -3.988 13.953 5.021 27 HB3 ARG 7 3HB ARG 7 -5.328 12.905 5.468 28 HG2 ARG 7 2HG ARG 7 -4.604 13.978 7.877 29 HG3 ARG 7 3HG ARG 7 -4.319 15.314 6.759 30 HD2 ARG 7 2HD ARG 7 -6.637 14.848 5.842 31 HD3 ARG 7 3HD ARG 7 -6.873 13.800 7.240 32 HE ARG 7 HE ARG 7 -6.008 16.246 8.210 33 HH11 ARG 7 1HH1 ARG 7 -8.723 14.996 6.428 34 HH12 ARG 7 2HH1 ARG 7 -9.833 16.180 7.034 35 HH21 ARG 7 1HH2 ARG 7 -7.460 17.810 9.016 36 HH22 ARG 7 2HH2 ARG 7 -9.113 17.780 8.506 37 H ASP 8 H ASP 8 -3.853 11.450 3.982 38 HA ASP 8 HA ASP 8 -5.511 9.260 4.491 39 HB2 ASP 8 2HB ASP 8 -3.803 10.108 2.191 40 HB3 ASP 8 3HB ASP 8 -4.478 8.482 2.185 41 H TRP 9 H TRP 9 -2.110 9.623 4.842 42 HA TRP 9 HA TRP 9 -1.401 6.870 4.640 43 HB2 TRP 9 2HB TRP 9 0.274 8.609 4.326 44 HB3 TRP 9 3HB TRP 9 0.022 9.183 5.973 45 HD1 TRP 9 HD1 TRP 9 1.788 8.358 7.617 46 HE1 TRP 9 HE1 TRP 9 3.371 6.335 7.775 47 HE3 TRP 9 HE3 TRP 9 0.303 5.836 3.425 48 HZ2 TRP 9 HZ2 TRP 9 3.919 3.982 6.315 49 HZ3 TRP 9 HZ3 TRP 9 1.408 3.707 2.876 50 HH2 TRP 9 HH2 TRP 9 3.178 2.800 4.292 51 H LYS 10 H LYS 10 -1.445 9.000 7.504 52 HA LYS 10 HA LYS 10 -1.362 6.870 9.356 53 HB2 LYS 10 2HB LYS 10 -1.618 9.782 9.444 54 HB3 LYS 10 3HB LYS 10 -2.499 8.974 10.734 55 HG2 LYS 10 2HG LYS 10 0.312 8.162 10.204 56 HG3 LYS 10 3HG LYS 10 0.007 9.690 11.032 57 HD2 LYS 10 2HD LYS 10 -1.415 7.244 11.967 58 HD3 LYS 10 3HD LYS 10 0.290 7.441 12.377 59 HE2 LYS 10 2HE LYS 10 -0.109 9.173 13.783 60 HE3 LYS 10 3HE LYS 10 -1.445 9.792 12.813 61 HZ1 LYS 10 1HZ LYS 10 -2.874 8.798 14.158 62 HZ2 LYS 10 2HZ LYS 10 -1.597 8.299 15.148 63 HZ3 LYS 10 3HZ LYS 10 -2.147 7.290 13.907 64 H MET 11 H MET 11 -3.999 8.634 7.853 65 HA MET 11 HA MET 11 -6.073 7.703 9.527 66 HB2 MET 11 2HB MET 11 -6.230 9.640 7.947 67 HB3 MET 11 3HB MET 11 -6.290 8.489 6.618 68 HG2 MET 11 2HG MET 11 -8.355 7.567 7.457 69 HG3 MET 11 3HG MET 11 -8.277 8.612 8.873 70 HE1 MET 11 1HE MET 11 -10.192 11.110 8.470 71 HE2 MET 11 2HE MET 11 -11.225 10.062 7.498 72 HE3 MET 11 3HE MET 11 -10.287 9.386 8.831 73 H ALA 12 H ALA 12 -4.649 6.442 6.552 74 HA ALA 12 HA ALA 12 -6.504 4.356 6.134 75 HB1 ALA 12 1HB ALA 12 -3.691 4.830 5.213 76 HB2 ALA 12 2HB ALA 12 -4.548 3.341 4.815 77 HB3 ALA 12 3HB ALA 12 -5.190 4.896 4.286 78 H ILE 13 H ILE 13 -3.291 4.350 7.669 79 HA ILE 13 HA ILE 13 -3.364 1.623 8.419 80 HB ILE 13 HB ILE 13 -1.764 3.879 9.633 81 HG12 ILE 13 2HG1 ILE 13 -1.050 1.872 7.484 82 HG13 ILE 13 3HG1 ILE 13 -1.352 3.586 7.229 83 HG21 ILE 13 1HG2 ILE 13 -2.087 1.180 10.454 84 HG22 ILE 13 2HG2 ILE 13 -0.455 1.370 9.813 85 HG23 ILE 13 3HG2 ILE 13 -1.016 2.413 11.120 86 HD11 ILE 13 1HD1 ILE 13 0.610 3.590 9.144 87 HD12 ILE 13 2HD1 ILE 13 1.052 2.224 8.118 88 HD13 ILE 13 3HD1 ILE 13 0.847 3.828 7.413 89 H LYS 14 H LYS 14 -4.144 4.610 10.161 90 HA LYS 14 HA LYS 14 -4.630 3.540 12.678 91 HB2 LYS 14 2HB LYS 14 -4.542 5.929 12.333 92 HB3 LYS 14 3HB LYS 14 -5.949 5.873 11.280 93 HG2 LYS 14 2HG LYS 14 -7.272 6.193 13.021 94 HG3 LYS 14 3HG LYS 14 -6.671 4.710 13.765 95 HD2 LYS 14 2HD LYS 14 -5.230 5.820 15.129 96 HD3 LYS 14 3HD LYS 14 -4.937 7.104 13.954 97 HE2 LYS 14 2HE LYS 14 -7.632 7.335 14.660 98 HE3 LYS 14 3HE LYS 14 -6.778 7.026 16.171 99 HZ1 LYS 14 1HZ LYS 14 -5.560 8.982 14.402 100 HZ2 LYS 14 2HZ LYS 14 -5.732 9.000 16.085 101 HZ3 LYS 14 3HZ LYS 14 -7.033 9.442 15.098 102 H ARG 15 H ARG 15 -6.868 3.948 9.949 103 HA ARG 15 HA ARG 15 -9.057 2.731 11.353 104 HB2 ARG 15 2HB ARG 15 -8.865 4.376 9.172 105 HB3 ARG 15 3HB ARG 15 -9.217 2.826 8.422 106 HG2 ARG 15 2HG ARG 15 -11.114 2.700 10.195 107 HG3 ARG 15 3HG ARG 15 -10.883 4.447 10.291 108 HD2 ARG 15 2HD ARG 15 -11.035 4.325 7.691 109 HD3 ARG 15 3HD ARG 15 -11.821 2.776 7.997 110 HE ARG 15 HE ARG 15 -12.939 5.374 8.381 111 HH11 ARG 15 1HH1 ARG 15 -12.973 2.101 9.567 112 HH12 ARG 15 2HH1 ARG 15 -14.584 2.207 10.195 113 HH21 ARG 15 1HH2 ARG 15 -15.061 5.526 9.204 114 HH22 ARG 15 2HH2 ARG 15 -15.771 4.155 9.988 115 H CYS 16 H CYS 16 -6.519 1.663 9.228 116 HA CYS 16 HA CYS 16 -7.662 -0.794 8.426 117 HB2 CYS 16 2HB CYS 16 -4.974 0.441 8.371 118 HB3 CYS 16 3HB CYS 16 -5.008 -1.317 8.325 119 HG CYS 16 HG CYS 16 -6.019 -1.612 5.916 120 H SER 17 H SER 17 -6.100 0.247 11.334 121 HA SER 17 HA SER 17 -5.218 -2.203 12.356 122 HB2 SER 17 2HB SER 17 -6.130 0.349 13.674 123 HB3 SER 17 3HB SER 17 -5.613 -1.044 14.625 124 HG SER 17 HG SER 17 -4.017 0.043 12.559 125 H ASN 18 H ASN 18 -8.386 -1.002 11.882 126 HA ASN 18 HA ASN 18 -9.806 -2.304 13.907 127 HB2 ASN 18 2HB ASN 18 -10.555 -0.603 12.025 128 HB3 ASN 18 3HB ASN 18 -10.990 -2.081 11.172 129 HD21 ASN 18 1HD2 ASN 18 -12.956 -2.811 11.499 130 HD22 ASN 18 2HD2 ASN 18 -13.960 -2.459 12.861 131 H VAL 19 H VAL 19 -8.729 -3.441 10.742 132 HA VAL 19 HA VAL 19 -10.059 -5.954 10.879 133 HB VAL 19 HB VAL 19 -8.797 -6.586 8.948 134 HG11 VAL 19 1HG1 VAL 19 -9.181 -4.657 7.453 135 HG12 VAL 19 2HG1 VAL 19 -10.550 -4.981 8.518 136 HG13 VAL 19 3HG1 VAL 19 -9.454 -3.644 8.871 137 HG21 VAL 19 1HG2 VAL 19 -7.071 -4.467 8.395 138 HG22 VAL 19 2HG2 VAL 19 -6.804 -4.845 10.096 139 HG23 VAL 19 3HG2 VAL 19 -6.625 -6.104 8.874 140 H ALA 20 H ALA 20 -9.096 -8.035 11.144 141 HA ALA 20 HA ALA 20 -6.905 -8.010 13.095 142 HB1 ALA 20 1HB ALA 20 -8.098 -10.592 12.799 143 HB2 ALA 20 2HB ALA 20 -8.081 -9.528 14.205 144 HB3 ALA 20 3HB ALA 20 -9.361 -9.379 13.001 145 H VAL 21 H VAL 21 -4.942 -8.449 12.356 146 HA VAL 21 HA VAL 21 -4.323 -9.367 9.804 147 HB VAL 21 HB VAL 21 -2.572 -9.731 12.236 148 HG11 VAL 21 1HG1 VAL 21 -0.739 -9.529 10.658 149 HG12 VAL 21 2HG1 VAL 21 -1.814 -10.844 10.179 150 HG13 VAL 21 3HG1 VAL 21 -1.878 -9.298 9.332 151 HG21 VAL 21 1HG2 VAL 21 -2.554 -7.523 12.481 152 HG22 VAL 21 2HG2 VAL 21 -1.850 -7.388 10.870 153 HG23 VAL 21 3HG2 VAL 21 -3.600 -7.315 11.076 154 H GLY 22 H GLY 22 -5.186 -11.124 12.662 155 HA2 GLY 22 2HA GLY 22 -4.276 -13.658 11.503 156 HA3 GLY 22 3HA GLY 22 -4.860 -13.422 13.144 157 H VAL 23 H VAL 23 -6.790 -14.251 13.552 158 HA VAL 23 HA VAL 23 -9.067 -13.878 11.950 159 HB VAL 23 HB VAL 23 -8.065 -15.449 10.407 160 HG11 VAL 23 1HG1 VAL 23 -7.972 -17.434 12.674 161 HG12 VAL 23 2HG1 VAL 23 -7.411 -17.676 11.018 162 HG13 VAL 23 3HG1 VAL 23 -6.575 -16.539 12.077 163 HG21 VAL 23 1HG2 VAL 23 -10.026 -16.443 10.020 164 HG22 VAL 23 2HG2 VAL 23 -9.969 -17.334 11.541 165 HG23 VAL 23 3HG2 VAL 23 -10.581 -15.681 11.510 166 H GLY 24 H GLY 24 -7.430 -15.931 14.308 167 HA2 GLY 24 2HA GLY 24 -9.622 -15.599 16.156 168 HA3 GLY 24 3HA GLY 24 -9.447 -17.243 15.560 169 H GLY 25 H GLY 25 -9.226 -17.052 18.166 170 HA2 GLY 25 2HA GLY 25 -7.805 -17.820 19.824 171 HA3 GLY 25 3HA GLY 25 -6.493 -17.804 18.655 172 H LYS 26 H LYS 26 -4.949 -16.346 18.954 173 HA LYS 26 HA LYS 26 -5.096 -14.469 21.086 174 HB2 LYS 26 2HB LYS 26 -3.072 -15.031 18.934 175 HB3 LYS 26 3HB LYS 26 -2.876 -13.669 20.030 176 HG2 LYS 26 2HG LYS 26 -3.451 -15.893 21.643 177 HG3 LYS 26 3HG LYS 26 -2.272 -16.434 20.446 178 HD2 LYS 26 2HD LYS 26 -0.735 -14.723 21.070 179 HD3 LYS 26 3HD LYS 26 -1.947 -13.917 22.070 180 HE2 LYS 26 2HE LYS 26 -0.548 -15.067 23.575 181 HE3 LYS 26 3HE LYS 26 -2.013 -16.041 23.452 182 HZ1 LYS 26 1HZ LYS 26 0.528 -16.558 22.004 183 HZ2 LYS 26 2HZ LYS 26 -0.875 -17.496 21.896 184 HZ3 LYS 26 3HZ LYS 26 -0.025 -17.411 23.357 185 H SER 27 H SER 27 -4.647 -12.136 20.838 186 HA SER 27 HA SER 27 -6.417 -11.011 18.834 187 HB2 SER 27 2HB SER 27 -6.075 -10.364 21.409 188 HB3 SER 27 3HB SER 27 -4.905 -9.252 20.700 189 HG SER 27 HG SER 27 -7.687 -9.420 20.223 190 H LYS 28 H LYS 28 -5.669 -10.502 16.895 191 HA LYS 28 HA LYS 28 -3.030 -9.223 16.691 192 HB2 LYS 28 2HB LYS 28 -3.193 -11.732 15.961 193 HB3 LYS 28 3HB LYS 28 -3.983 -11.071 14.534 194 HG2 LYS 28 2HG LYS 28 -1.871 -11.039 13.752 195 HG3 LYS 28 3HG LYS 28 -1.825 -9.492 14.601 196 HD2 LYS 28 2HD LYS 28 -0.580 -10.341 16.354 197 HD3 LYS 28 3HD LYS 28 -1.107 -12.000 16.059 198 HE2 LYS 28 2HE LYS 28 0.321 -10.927 13.787 199 HE3 LYS 28 3HE LYS 28 1.290 -10.826 15.258 200 HZ1 LYS 28 1HZ LYS 28 1.421 -13.063 15.436 201 HZ2 LYS 28 2HZ LYS 28 1.220 -12.986 13.758 202 HZ3 LYS 28 3HZ LYS 28 -0.102 -13.340 14.754 203 H LYS 29 H LYS 29 -3.583 -7.187 16.198 204 HA LYS 29 HA LYS 29 -5.520 -6.775 14.016 205 HB2 LYS 29 2HB LYS 29 -4.842 -5.058 16.400 206 HB3 LYS 29 3HB LYS 29 -5.731 -4.440 15.014 207 HG2 LYS 29 2HG LYS 29 -6.603 -6.782 16.692 208 HG3 LYS 29 3HG LYS 29 -7.175 -5.125 16.901 209 HD2 LYS 29 2HD LYS 29 -7.757 -5.318 14.359 210 HD3 LYS 29 3HD LYS 29 -7.701 -7.053 14.679 211 HE2 LYS 29 2HE LYS 29 -9.209 -6.219 16.758 212 HE3 LYS 29 3HE LYS 29 -9.653 -5.018 15.545 213 HZ1 LYS 29 1HZ LYS 29 -10.981 -7.195 15.679 214 HZ2 LYS 29 2HZ LYS 29 -9.665 -7.889 14.877 215 HZ3 LYS 29 3HZ LYS 29 -10.524 -6.625 14.152 216 H PHE 30 H PHE 30 -5.068 -5.171 12.453 217 HA PHE 30 HA PHE 30 -2.500 -5.116 11.445 218 HB2 PHE 30 2HB PHE 30 -4.951 -4.167 10.623 219 HB3 PHE 30 3HB PHE 30 -4.019 -2.687 10.830 220 HD1 PHE 30 HD1 PHE 30 -3.290 -6.106 9.516 221 HD2 PHE 30 HD2 PHE 30 -3.172 -1.903 8.857 222 HE1 PHE 30 HE1 PHE 30 -2.221 -6.483 7.332 223 HE2 PHE 30 HE2 PHE 30 -2.104 -2.272 6.671 224 HZ PHE 30 HZ PHE 30 -1.627 -4.564 5.906 225 H GLY 31 H GLY 31 -1.170 -3.082 11.058 226 HA2 GLY 31 2HA GLY 31 -1.237 -1.061 13.105 227 HA3 GLY 31 3HA GLY 31 0.062 -2.223 13.332 228 H GLU 32 H GLU 32 1.302 -0.141 13.098 229 HA GLU 32 HA GLU 32 1.573 0.791 10.352 230 HB2 GLU 32 2HB GLU 32 3.050 1.707 12.824 231 HB3 GLU 32 3HB GLU 32 3.016 2.515 11.264 232 HG2 GLU 32 2HG GLU 32 0.787 3.175 11.526 233 HG3 GLU 32 3HG GLU 32 0.514 2.035 12.843 234 H GLY 33 H GLY 33 3.775 -0.388 12.907 235 HA2 GLY 33 2HA GLY 33 6.035 -0.705 11.311 236 HA3 GLY 33 3HA GLY 33 5.711 -1.613 12.781 237 H ASN 34 H ASN 34 3.414 -2.999 11.960 238 HA ASN 34 HA ASN 34 4.538 -5.228 10.701 239 HB2 ASN 34 2HB ASN 34 1.593 -4.554 10.784 240 HB3 ASN 34 3HB ASN 34 2.318 -6.154 10.666 241 HD21 ASN 34 1HD2 ASN 34 2.873 -7.210 12.477 242 HD22 ASN 34 2HD2 ASN 34 2.702 -6.574 14.074 243 H PHE 35 H PHE 35 2.299 -2.785 9.397 244 HA PHE 35 HA PHE 35 2.063 -3.771 6.819 245 HB2 PHE 35 2HB PHE 35 0.677 -1.946 7.628 246 HB3 PHE 35 3HB PHE 35 2.083 -0.893 7.749 247 HD1 PHE 35 HD1 PHE 35 1.830 0.804 6.217 248 HD2 PHE 35 HD2 PHE 35 0.941 -3.191 5.047 249 HE1 PHE 35 HE1 PHE 35 1.458 1.567 3.907 250 HE2 PHE 35 HE2 PHE 35 0.568 -2.434 2.736 251 HZ PHE 35 HZ PHE 35 0.827 -0.054 2.163 252 H ARG 36 H ARG 36 4.517 -1.593 8.157 253 HA ARG 36 HA ARG 36 5.886 -1.065 5.768 254 HB2 ARG 36 2HB ARG 36 7.174 -1.248 8.489 255 HB3 ARG 36 3HB ARG 36 7.669 -0.251 7.126 256 HG2 ARG 36 2HG ARG 36 5.025 0.484 7.701 257 HG3 ARG 36 3HG ARG 36 5.853 0.353 9.254 258 HD2 ARG 36 2HD ARG 36 7.724 1.665 7.831 259 HD3 ARG 36 3HD ARG 36 6.265 2.251 7.032 260 HE ARG 36 HE ARG 36 5.783 3.479 8.900 261 HH11 ARG 36 1HH1 ARG 36 8.160 1.068 9.710 262 HH12 ARG 36 2HH1 ARG 36 8.440 1.691 11.303 263 HH21 ARG 36 1HH2 ARG 36 6.141 4.309 10.994 264 HH22 ARG 36 2HH2 ARG 36 7.290 3.534 12.032 265 H TRP 37 H TRP 37 6.279 -3.640 8.160 266 HA TRP 37 HA TRP 37 8.603 -4.798 7.109 267 HB2 TRP 37 2HB TRP 37 7.865 -5.443 9.294 268 HB3 TRP 37 3HB TRP 37 6.313 -5.995 8.672 269 HD1 TRP 37 HD1 TRP 37 9.863 -7.132 9.253 270 HE1 TRP 37 HE1 TRP 37 10.080 -9.616 8.613 271 HE3 TRP 37 HE3 TRP 37 5.341 -7.778 6.956 272 HZ2 TRP 37 HZ2 TRP 37 8.540 -11.587 7.307 273 HZ3 TRP 37 HZ3 TRP 37 4.791 -9.993 6.038 274 HH2 TRP 37 HH2 TRP 37 6.359 -11.857 6.210 275 H ALA 38 H ALA 38 5.211 -5.215 6.270 276 HA ALA 38 HA ALA 38 5.588 -7.438 4.540 277 HB1 ALA 38 1HB ALA 38 3.318 -6.835 3.692 278 HB2 ALA 38 2HB ALA 38 3.413 -7.042 5.440 279 HB3 ALA 38 3HB ALA 38 3.360 -5.422 4.747 280 H ILE 39 H ILE 39 4.910 -4.011 3.802 281 HA ILE 39 HA ILE 39 5.303 -4.193 1.043 282 HB ILE 39 HB ILE 39 4.226 -2.258 2.022 283 HG12 ILE 39 2HG1 ILE 39 6.814 -1.352 0.752 284 HG13 ILE 39 3HG1 ILE 39 5.490 -2.072 -0.157 285 HG21 ILE 39 1HG2 ILE 39 6.896 -1.388 3.100 286 HG22 ILE 39 2HG2 ILE 39 5.315 -0.668 3.396 287 HG23 ILE 39 3HG2 ILE 39 5.703 -2.250 4.071 288 HD11 ILE 39 1HD1 ILE 39 4.459 -0.123 -0.283 289 HD12 ILE 39 2HD1 ILE 39 4.514 0.076 1.469 290 HD13 ILE 39 3HD1 ILE 39 5.867 0.620 0.477 291 H ARG 40 H ARG 40 7.589 -3.578 3.659 292 HA ARG 40 HA ARG 40 9.802 -2.835 2.117 293 HB2 ARG 40 2HB ARG 40 9.734 -2.566 4.546 294 HB3 ARG 40 3HB ARG 40 9.726 -4.312 4.754 295 HG2 ARG 40 2HG ARG 40 11.935 -4.327 4.771 296 HG3 ARG 40 3HG ARG 40 11.964 -3.629 3.150 297 HD2 ARG 40 2HD ARG 40 13.161 -2.078 4.382 298 HD3 ARG 40 3HD ARG 40 11.538 -1.388 4.376 299 HE ARG 40 HE ARG 40 11.776 -2.995 6.643 300 HH11 ARG 40 1HH1 ARG 40 13.136 -0.065 5.343 301 HH12 ARG 40 2HH1 ARG 40 13.454 0.631 6.897 302 HH21 ARG 40 1HH2 ARG 40 12.189 -2.088 8.695 303 HH22 ARG 40 2HH2 ARG 40 12.915 -0.521 8.803 304 H MET 41 H MET 41 8.873 -6.046 3.350 305 HA MET 41 HA MET 41 11.001 -7.432 2.110 306 HB2 MET 41 2HB MET 41 9.521 -8.228 4.028 307 HB3 MET 41 3HB MET 41 8.322 -8.624 2.805 308 HG2 MET 41 2HG MET 41 9.294 -10.584 2.525 309 HG3 MET 41 3HG MET 41 10.738 -9.760 1.941 310 HE1 MET 41 1HE MET 41 13.144 -11.349 3.993 311 HE2 MET 41 2HE MET 41 11.900 -12.474 3.445 312 HE3 MET 41 3HE MET 41 12.372 -11.113 2.426 313 H ALA 42 H ALA 42 7.623 -6.903 1.157 314 HA ALA 42 HA ALA 42 7.658 -8.433 -1.191 315 HB1 ALA 42 1HB ALA 42 5.542 -7.822 -0.439 316 HB2 ALA 42 2HB ALA 42 5.986 -6.122 -0.274 317 HB3 ALA 42 3HB ALA 42 5.770 -6.826 -1.877 318 H ASN 43 H ASN 43 8.653 -5.122 -0.555 319 HA ASN 43 HA ASN 43 8.936 -4.315 -3.251 320 HB2 ASN 43 2HB ASN 43 9.779 -3.280 -0.602 321 HB3 ASN 43 3HB ASN 43 10.705 -2.718 -1.992 322 HD21 ASN 43 1HD2 ASN 43 9.535 -0.772 -0.818 323 HD22 ASN 43 2HD2 ASN 43 8.079 -0.265 -1.599 324 H VAL 44 H VAL 44 11.434 -5.208 -0.861 325 HA VAL 44 HA VAL 44 13.564 -5.289 -2.688 326 HB VAL 44 HB VAL 44 13.303 -6.859 -0.120 327 HG11 VAL 44 1HG1 VAL 44 15.630 -6.153 -1.880 328 HG12 VAL 44 2HG1 VAL 44 15.842 -6.546 -0.173 329 HG13 VAL 44 3HG1 VAL 44 15.143 -7.736 -1.271 330 HG21 VAL 44 1HG2 VAL 44 13.347 -4.910 0.942 331 HG22 VAL 44 2HG2 VAL 44 14.934 -4.600 0.237 332 HG23 VAL 44 3HG2 VAL 44 13.479 -4.036 -0.585 333 H SER 45 H SER 45 11.214 -7.711 -1.725 334 HA SER 45 HA SER 45 12.494 -9.965 -2.826 335 HB2 SER 45 2HB SER 45 9.603 -9.353 -2.221 336 HB3 SER 45 3HB SER 45 10.113 -10.904 -2.886 337 HG SER 45 HG SER 45 10.780 -11.456 -0.979 338 H THR 46 H THR 46 10.665 -7.391 -4.248 339 HA THR 46 HA THR 46 10.423 -8.820 -6.790 340 HB THR 46 HB THR 46 9.235 -6.629 -7.473 341 HG1 THR 46 HG1 THR 46 9.065 -5.161 -5.967 342 HG21 THR 46 1HG2 THR 46 7.175 -7.489 -6.789 343 HG22 THR 46 2HG2 THR 46 7.831 -8.112 -5.275 344 HG23 THR 46 3HG2 THR 46 8.222 -8.907 -6.799 345 H GLY 47 H GLY 47 12.996 -7.807 -5.641 346 HA2 GLY 47 2HA GLY 47 14.897 -6.737 -6.361 347 HA3 GLY 47 3HA GLY 47 14.260 -7.012 -7.976 348 H ARG 48 H ARG 48 12.497 -5.077 -5.688 349 HA ARG 48 HA ARG 48 12.951 -2.741 -7.395 350 HB2 ARG 48 2HB ARG 48 10.751 -3.643 -5.611 351 HB3 ARG 48 3HB ARG 48 11.008 -1.909 -5.753 352 HG2 ARG 48 2HG ARG 48 10.700 -2.015 -8.142 353 HG3 ARG 48 3HG ARG 48 10.575 -3.775 -8.076 354 HD2 ARG 48 2HD ARG 48 8.425 -3.704 -7.457 355 HD3 ARG 48 3HD ARG 48 8.719 -2.423 -6.281 356 HE ARG 48 HE ARG 48 7.971 -0.913 -7.819 357 HH11 ARG 48 1HH1 ARG 48 8.858 -3.846 -9.473 358 HH12 ARG 48 2HH1 ARG 48 8.271 -3.309 -11.012 359 HH21 ARG 48 1HH2 ARG 48 7.194 -0.195 -9.840 360 HH22 ARG 48 2HH2 ARG 48 7.325 -1.233 -11.220 361 H GLU 49 H GLU 49 13.688 -0.793 -6.610 362 HA GLU 49 HA GLU 49 15.583 -0.775 -4.603 363 HB2 GLU 49 2HB GLU 49 14.064 1.332 -6.051 364 HB3 GLU 49 3HB GLU 49 14.930 1.817 -4.601 365 HG2 GLU 49 2HG GLU 49 16.712 0.241 -6.088 366 HG3 GLU 49 3HG GLU 49 15.932 1.332 -7.232 367 HA PRO 50 HA PRO 50 13.547 -0.452 -0.732 368 HB2 PRO 50 2HB PRO 50 15.094 1.338 0.598 369 HB3 PRO 50 3HB PRO 50 15.623 -0.310 0.241 370 HG2 PRO 50 2HG PRO 50 16.266 2.238 -1.193 371 HG3 PRO 50 3HG PRO 50 17.340 0.892 -0.764 372 HD2 PRO 50 2HD PRO 50 16.320 1.206 -3.253 373 HD3 PRO 50 3HD PRO 50 16.655 -0.390 -2.552 374 H GLY 51 H GLY 51 14.143 2.525 -2.487 375 HA2 GLY 51 2HA GLY 51 12.277 4.036 -0.848 376 HA3 GLY 51 3HA GLY 51 13.187 4.643 -2.223 377 H ASP 52 H ASP 52 10.899 1.938 -1.870 378 HA ASP 52 HA ASP 52 9.450 2.980 -4.199 379 HB2 ASP 52 2HB ASP 52 10.093 0.310 -3.216 380 HB3 ASP 52 3HB ASP 52 8.387 0.486 -3.617 381 H ILE 53 H ILE 53 7.909 4.360 -3.554 382 HA ILE 53 HA ILE 53 6.164 3.538 -1.325 383 HB ILE 53 HB ILE 53 6.598 6.342 -2.360 384 HG12 ILE 53 2HG1 ILE 53 7.491 5.961 0.332 385 HG13 ILE 53 3HG1 ILE 53 8.255 4.747 -0.689 386 HG21 ILE 53 1HG2 ILE 53 4.897 5.144 -0.226 387 HG22 ILE 53 2HG2 ILE 53 5.549 6.766 0.002 388 HG23 ILE 53 3HG2 ILE 53 4.519 6.416 -1.387 389 HD11 ILE 53 1HD1 ILE 53 9.188 6.430 -2.100 390 HD12 ILE 53 2HD1 ILE 53 8.275 7.694 -1.276 391 HD13 ILE 53 3HD1 ILE 53 9.560 6.838 -0.426 392 HA PRO 54 HA PRO 54 3.620 3.346 -5.206 393 HB2 PRO 54 2HB PRO 54 2.418 0.994 -4.577 394 HB3 PRO 54 3HB PRO 54 3.973 1.085 -5.413 395 HG2 PRO 54 2HG PRO 54 3.406 0.599 -2.514 396 HG3 PRO 54 3HG PRO 54 4.575 -0.208 -3.576 397 HD2 PRO 54 2HD PRO 54 5.291 1.733 -1.830 398 HD3 PRO 54 3HD PRO 54 6.115 1.497 -3.384 399 H GLU 55 H GLU 55 2.157 4.932 -4.778 400 HA GLU 55 HA GLU 55 0.191 4.450 -2.643 401 HB2 GLU 55 2HB GLU 55 0.644 7.073 -4.053 402 HB3 GLU 55 3HB GLU 55 -0.172 6.788 -2.522 403 HG2 GLU 55 2HG GLU 55 1.731 7.338 -1.534 404 HG3 GLU 55 3HG GLU 55 2.375 5.799 -2.107 405 H THR 56 H THR 56 -0.271 2.946 -4.808 406 HA THR 56 HA THR 56 -2.723 4.114 -5.862 407 HB THR 56 HB THR 56 -2.254 3.589 -8.166 408 HG1 THR 56 HG1 THR 56 -0.480 2.501 -8.791 409 HG21 THR 56 1HG2 THR 56 -0.523 5.209 -8.663 410 HG22 THR 56 2HG2 THR 56 0.105 5.088 -7.019 411 HG23 THR 56 3HG2 THR 56 -1.490 5.784 -7.306 412 H LEU 57 H LEU 57 -4.328 2.656 -6.003 413 HA LEU 57 HA LEU 57 -4.184 0.158 -4.841 414 HB2 LEU 57 2HB LEU 57 -6.226 1.571 -5.489 415 HB3 LEU 57 3HB LEU 57 -6.113 0.772 -7.056 416 HG LEU 57 HG LEU 57 -6.462 -1.395 -5.981 417 HD11 LEU 57 1HD1 LEU 57 -6.013 -1.656 -3.828 418 HD12 LEU 57 2HD1 LEU 57 -7.418 -0.664 -3.441 419 HD13 LEU 57 3HD1 LEU 57 -5.832 0.085 -3.616 420 HD21 LEU 57 1HD2 LEU 57 -8.704 -1.173 -5.984 421 HD22 LEU 57 2HD2 LEU 57 -8.339 0.466 -6.524 422 HD23 LEU 57 3HD2 LEU 57 -8.682 0.154 -4.821 423 H ASP 58 H ASP 58 -3.523 1.095 -8.139 424 HA ASP 58 HA ASP 58 -3.546 -1.511 -9.262 425 HB2 ASP 58 2HB ASP 58 -3.468 0.959 -10.330 426 HB3 ASP 58 3HB ASP 58 -1.761 0.542 -10.447 427 H GLN 59 H GLN 59 -1.006 0.518 -7.872 428 HA GLN 59 HA GLN 59 1.173 -1.140 -8.507 429 HB2 GLN 59 2HB GLN 59 0.671 1.044 -6.543 430 HB3 GLN 59 3HB GLN 59 2.090 0.033 -6.302 431 HG2 GLN 59 2HG GLN 59 2.887 0.590 -8.530 432 HG3 GLN 59 3HG GLN 59 1.450 1.572 -8.808 433 HE21 GLN 59 1HE2 GLN 59 1.110 3.369 -7.263 434 HE22 GLN 59 2HE2 GLN 59 2.502 4.228 -6.705 435 H LEU 60 H LEU 60 -0.960 -1.041 -5.685 436 HA LEU 60 HA LEU 60 0.397 -2.946 -4.132 437 HB2 LEU 60 2HB LEU 60 -2.443 -1.996 -4.221 438 HB3 LEU 60 3HB LEU 60 -1.955 -3.293 -3.131 439 HG LEU 60 HG LEU 60 -0.256 -0.934 -2.917 440 HD11 LEU 60 1HD1 LEU 60 -3.160 -0.595 -2.951 441 HD12 LEU 60 2HD1 LEU 60 -1.873 0.605 -3.064 442 HD13 LEU 60 3HD1 LEU 60 -2.380 0.003 -1.485 443 HD21 LEU 60 1HD2 LEU 60 -0.904 -3.102 -1.390 444 HD22 LEU 60 2HD2 LEU 60 -1.846 -1.820 -0.627 445 HD23 LEU 60 3HD2 LEU 60 -0.098 -1.648 -0.801 446 H ARG 61 H ARG 61 -2.389 -3.330 -6.317 447 HA ARG 61 HA ARG 61 -2.720 -6.080 -6.026 448 HB2 ARG 61 2HB ARG 61 -4.415 -4.815 -7.136 449 HB3 ARG 61 3HB ARG 61 -3.282 -4.249 -8.355 450 HG2 ARG 61 2HG ARG 61 -3.645 -7.173 -8.147 451 HG3 ARG 61 3HG ARG 61 -5.006 -6.240 -8.774 452 HD2 ARG 61 2HD ARG 61 -2.257 -5.755 -9.838 453 HD3 ARG 61 3HD ARG 61 -3.175 -7.154 -10.396 454 HE ARG 61 HE ARG 61 -3.667 -4.386 -11.025 455 HH11 ARG 61 1HH1 ARG 61 -5.028 -7.585 -10.844 456 HH12 ARG 61 2HH1 ARG 61 -6.285 -7.256 -11.989 457 HH21 ARG 61 1HH2 ARG 61 -5.318 -3.940 -12.534 458 HH22 ARG 61 2HH2 ARG 61 -6.449 -5.183 -12.951 459 H LEU 62 H LEU 62 -0.491 -4.249 -8.023 460 HA LEU 62 HA LEU 62 0.397 -6.478 -9.571 461 HB2 LEU 62 2HB LEU 62 0.913 -3.653 -9.417 462 HB3 LEU 62 3HB LEU 62 2.428 -4.546 -9.526 463 HG LEU 62 HG LEU 62 1.661 -3.836 -11.725 464 HD11 LEU 62 1HD1 LEU 62 2.175 -5.788 -12.799 465 HD12 LEU 62 2HD1 LEU 62 1.174 -6.772 -11.732 466 HD13 LEU 62 3HD1 LEU 62 2.733 -6.169 -11.169 467 HD21 LEU 62 1HD2 LEU 62 -0.771 -5.534 -11.171 468 HD22 LEU 62 2HD2 LEU 62 -0.387 -4.730 -12.694 469 HD23 LEU 62 3HD2 LEU 62 -0.741 -3.772 -11.255 470 H VAL 63 H VAL 63 1.876 -4.638 -6.900 471 HA VAL 63 HA VAL 63 4.195 -6.096 -6.586 472 HB VAL 63 HB VAL 63 2.521 -4.867 -4.391 473 HG11 VAL 63 1HG1 VAL 63 4.047 -6.253 -3.293 474 HG12 VAL 63 2HG1 VAL 63 5.332 -5.916 -4.454 475 HG13 VAL 63 3HG1 VAL 63 4.835 -4.676 -3.301 476 HG21 VAL 63 1HG2 VAL 63 3.688 -3.607 -6.532 477 HG22 VAL 63 2HG2 VAL 63 3.289 -2.852 -4.989 478 HG23 VAL 63 3HG2 VAL 63 4.919 -3.461 -5.276 479 H ILE 64 H ILE 64 0.940 -6.915 -5.629 480 HA ILE 64 HA ILE 64 1.665 -9.071 -3.898 481 HB ILE 64 HB ILE 64 -0.961 -8.500 -5.276 482 HG12 ILE 64 2HG1 ILE 64 -0.483 -8.082 -2.360 483 HG13 ILE 64 3HG1 ILE 64 0.160 -6.890 -3.485 484 HG21 ILE 64 1HG2 ILE 64 -1.626 -10.490 -4.556 485 HG22 ILE 64 2HG2 ILE 64 -0.066 -10.774 -3.785 486 HG23 ILE 64 3HG2 ILE 64 -1.349 -9.949 -2.901 487 HD11 ILE 64 1HD1 ILE 64 -2.457 -7.301 -4.313 488 HD12 ILE 64 2HD1 ILE 64 -2.534 -7.273 -2.552 489 HD13 ILE 64 3HD1 ILE 64 -1.824 -5.916 -3.425 490 H CYS 65 H CYS 65 0.142 -9.033 -7.127 491 HA CYS 65 HA CYS 65 0.299 -11.769 -7.610 492 HB2 CYS 65 2HB CYS 65 -0.943 -9.960 -8.941 493 HB3 CYS 65 3HB CYS 65 0.582 -9.696 -9.779 494 HG CYS 65 HG CYS 65 -1.308 -12.544 -9.800 495 H ASP 66 H ASP 66 2.749 -9.336 -7.727 496 HA ASP 66 HA ASP 66 4.582 -10.797 -9.374 497 HB2 ASP 66 2HB ASP 66 4.990 -8.441 -7.523 498 HB3 ASP 66 3HB ASP 66 6.235 -9.096 -8.583 499 H LEU 67 H LEU 67 4.862 -9.836 -5.949 500 HA LEU 67 HA LEU 67 6.906 -11.617 -5.305 501 HB2 LEU 67 2HB LEU 67 6.474 -9.835 -3.825 502 HB3 LEU 67 3HB LEU 67 4.782 -10.292 -3.646 503 HG LEU 67 HG LEU 67 5.435 -12.247 -2.344 504 HD11 LEU 67 1HD1 LEU 67 8.079 -11.534 -3.350 505 HD12 LEU 67 2HD1 LEU 67 7.464 -13.080 -2.768 506 HD13 LEU 67 3HD1 LEU 67 8.047 -11.876 -1.620 507 HD21 LEU 67 1HD2 LEU 67 6.998 -10.341 -0.841 508 HD22 LEU 67 2HD2 LEU 67 5.396 -10.998 -0.505 509 HD23 LEU 67 3HD2 LEU 67 5.570 -9.584 -1.546 510 H GLN 68 H GLN 68 3.425 -12.055 -5.357 511 HA GLN 68 HA GLN 68 3.400 -14.553 -4.001 512 HB2 GLN 68 2HB GLN 68 1.440 -12.958 -4.359 513 HB3 GLN 68 3HB GLN 68 1.337 -13.614 -5.987 514 HG2 GLN 68 2HG GLN 68 1.064 -15.876 -4.985 515 HG3 GLN 68 3HG GLN 68 0.991 -15.109 -3.400 516 HE21 GLN 68 1HE2 GLN 68 -1.095 -15.820 -3.019 517 HE22 GLN 68 2HE2 GLN 68 -2.465 -15.157 -3.837 518 H GLU 69 H GLU 69 3.503 -13.615 -7.409 519 HA GLU 69 HA GLU 69 3.198 -16.155 -8.538 520 HB2 GLU 69 2HB GLU 69 3.036 -14.219 -9.935 521 HB3 GLU 69 3HB GLU 69 4.666 -13.708 -9.520 522 HG2 GLU 69 2HG GLU 69 5.604 -15.024 -11.059 523 HG3 GLU 69 3HG GLU 69 4.526 -16.374 -10.707 524 H ARG 70 H ARG 70 6.097 -14.454 -7.436 525 HA ARG 70 HA ARG 70 7.962 -16.376 -8.332 526 HB2 ARG 70 2HB ARG 70 7.991 -14.043 -6.514 527 HB3 ARG 70 3HB ARG 70 9.239 -15.250 -6.230 528 HG2 ARG 70 2HG ARG 70 9.601 -15.036 -8.815 529 HG3 ARG 70 3HG ARG 70 8.816 -13.474 -8.579 530 HD2 ARG 70 2HD ARG 70 10.783 -12.659 -7.945 531 HD3 ARG 70 3HD ARG 70 10.686 -13.685 -6.515 532 HE ARG 70 HE ARG 70 11.677 -15.292 -8.513 533 HH11 ARG 70 1HH1 ARG 70 12.623 -12.320 -6.967 534 HH12 ARG 70 2HH1 ARG 70 14.319 -12.587 -7.198 535 HH21 ARG 70 1HH2 ARG 70 13.907 -15.655 -8.824 536 HH22 ARG 70 2HH2 ARG 70 15.048 -14.483 -8.256 537 H ARG 71 H ARG 71 6.783 -15.744 -5.022 538 HA ARG 71 HA ARG 71 7.935 -18.000 -3.845 539 HB2 ARG 71 2HB ARG 71 7.093 -16.157 -2.509 540 HB3 ARG 71 3HB ARG 71 5.452 -16.467 -3.060 541 HG2 ARG 71 2HG ARG 71 5.929 -17.280 -0.765 542 HG3 ARG 71 3HG ARG 71 5.370 -18.536 -1.870 543 HD2 ARG 71 2HD ARG 71 7.317 -19.144 -0.370 544 HD3 ARG 71 3HD ARG 71 7.533 -19.444 -2.093 545 HE ARG 71 HE ARG 71 8.521 -16.884 -1.415 546 HH11 ARG 71 1HH1 ARG 71 9.261 -20.272 -1.102 547 HH12 ARG 71 2HH1 ARG 71 10.973 -20.024 -1.018 548 HH21 ARG 71 1HH2 ARG 71 10.774 -16.545 -1.305 549 HH22 ARG 71 2HH2 ARG 71 11.833 -17.903 -1.133 550 H GLU 72 H GLU 72 5.101 -17.663 -5.796 551 HA GLU 72 HA GLU 72 3.736 -20.003 -4.975 552 HB2 GLU 72 2HB GLU 72 2.542 -18.314 -6.195 553 HB3 GLU 72 3HB GLU 72 3.657 -18.428 -7.549 554 HG2 GLU 72 2HG GLU 72 2.841 -20.572 -8.152 555 HG3 GLU 72 3HG GLU 72 1.910 -20.705 -6.661 556 H LYS 73 H LYS 73 5.737 -19.388 -7.864 557 HA LYS 73 HA LYS 73 5.773 -22.006 -8.821 558 HB2 LYS 73 2HB LYS 73 7.364 -19.560 -9.249 559 HB3 LYS 73 3HB LYS 73 8.196 -21.062 -9.631 560 HG2 LYS 73 2HG LYS 73 5.821 -21.481 -10.852 561 HG3 LYS 73 3HG LYS 73 5.972 -19.728 -11.005 562 HD2 LYS 73 2HD LYS 73 8.444 -20.407 -11.727 563 HD3 LYS 73 3HD LYS 73 7.618 -21.895 -12.193 564 HE2 LYS 73 2HE LYS 73 6.849 -19.114 -13.074 565 HE3 LYS 73 3HE LYS 73 7.749 -20.280 -14.043 566 HZ1 LYS 73 1HZ LYS 73 5.589 -21.703 -13.349 567 HZ2 LYS 73 2HZ LYS 73 5.725 -20.829 -14.790 568 HZ3 LYS 73 3HZ LYS 73 4.918 -20.153 -13.465 569 H PHE 74 H PHE 74 7.808 -20.412 -6.432 570 HA PHE 74 HA PHE 74 9.618 -22.632 -6.188 571 HB2 PHE 74 2HB PHE 74 9.898 -20.034 -5.611 572 HB3 PHE 74 3HB PHE 74 9.408 -20.607 -4.020 573 HD1 PHE 74 HD1 PHE 74 10.871 -21.903 -2.668 574 HD2 PHE 74 HD2 PHE 74 11.962 -20.878 -6.652 575 HE1 PHE 74 HE1 PHE 74 13.177 -22.636 -2.221 576 HE2 PHE 74 HE2 PHE 74 14.270 -21.611 -6.212 577 HZ PHE 74 HZ PHE 74 14.879 -22.491 -3.994 578 H GLY 75 H GLY 75 6.592 -21.721 -4.813 579 HA2 GLY 75 2HA GLY 75 5.566 -23.856 -3.802 580 HA3 GLY 75 3HA GLY 75 6.899 -23.712 -2.666 581 H SER 76 H SER 76 6.499 -22.662 -0.839 582 HA SER 76 HA SER 76 4.664 -20.416 -0.788 583 HB2 SER 76 2HB SER 76 4.122 -23.006 0.658 584 HB3 SER 76 3HB SER 76 3.441 -21.474 1.203 585 HG SER 76 HG SER 76 2.065 -21.536 -0.386 586 H SER 77 H SER 77 4.609 -19.391 1.403 587 HA SER 77 HA SER 77 6.687 -20.050 3.268 588 HB2 SER 77 2HB SER 77 8.286 -18.950 2.062 589 HB3 SER 77 3HB SER 77 7.109 -17.946 1.217 590 HG SER 77 HG SER 77 8.569 -17.371 3.401 591 H LYS 78 H LYS 78 6.413 -19.050 5.236 592 HA LYS 78 HA LYS 78 3.856 -18.021 5.824 593 HB2 LYS 78 2HB LYS 78 6.199 -18.810 7.275 594 HB3 LYS 78 3HB LYS 78 5.642 -17.258 7.887 595 HG2 LYS 78 2HG LYS 78 4.382 -18.586 9.203 596 HG3 LYS 78 3HG LYS 78 3.302 -18.542 7.807 597 HD2 LYS 78 2HD LYS 78 3.456 -20.814 8.370 598 HD3 LYS 78 3HD LYS 78 4.548 -20.619 6.998 599 HE2 LYS 78 2HE LYS 78 5.977 -21.741 8.340 600 HE3 LYS 78 3HE LYS 78 6.256 -20.137 9.015 601 HZ1 LYS 78 1HZ LYS 78 5.051 -20.610 10.882 602 HZ2 LYS 78 2HZ LYS 78 5.693 -22.140 10.556 603 HZ3 LYS 78 3HZ LYS 78 4.096 -21.785 10.126 604 H GLU 79 H GLU 79 7.038 -16.408 5.836 605 HA GLU 79 HA GLU 79 6.160 -13.837 6.404 606 HB2 GLU 79 2HB GLU 79 8.513 -14.797 4.778 607 HB3 GLU 79 3HB GLU 79 8.255 -13.105 5.176 608 HG2 GLU 79 2HG GLU 79 9.555 -13.583 6.935 609 HG3 GLU 79 3HG GLU 79 8.056 -14.204 7.625 610 H ILE 80 H ILE 80 6.369 -15.517 3.309 611 HA ILE 80 HA ILE 80 5.753 -13.295 1.675 612 HB ILE 80 HB ILE 80 5.299 -16.234 1.146 613 HG12 ILE 80 2HG1 ILE 80 7.666 -15.492 1.616 614 HG13 ILE 80 3HG1 ILE 80 7.417 -16.221 0.034 615 HG21 ILE 80 1HG2 ILE 80 4.154 -15.524 -0.631 616 HG22 ILE 80 2HG2 ILE 80 4.657 -13.852 -0.386 617 HG23 ILE 80 3HG2 ILE 80 5.699 -14.967 -1.271 618 HD11 ILE 80 1HD1 ILE 80 7.112 -13.314 0.079 619 HD12 ILE 80 2HD1 ILE 80 8.727 -13.892 0.490 620 HD13 ILE 80 3HD1 ILE 80 7.988 -14.352 -1.044 621 H ASP 81 H ASP 81 3.688 -16.029 2.676 622 HA ASP 81 HA ASP 81 1.290 -15.128 1.651 623 HB2 ASP 81 2HB ASP 81 2.023 -17.301 3.073 624 HB3 ASP 81 3HB ASP 81 1.149 -16.412 4.319 625 H MET 82 H MET 82 2.924 -14.180 4.608 626 HA MET 82 HA MET 82 0.736 -12.721 5.703 627 HB2 MET 82 2HB MET 82 3.173 -13.568 6.646 628 HB3 MET 82 3HB MET 82 3.419 -11.835 6.489 629 HG2 MET 82 2HG MET 82 2.656 -12.046 8.652 630 HG3 MET 82 3HG MET 82 1.192 -11.628 7.765 631 HE1 MET 82 1HE MET 82 1.768 -12.700 10.497 632 HE2 MET 82 2HE MET 82 0.181 -13.452 10.659 633 HE3 MET 82 3HE MET 82 1.642 -14.435 10.789 634 H ALA 83 H ALA 83 3.773 -11.650 4.166 635 HA ALA 83 HA ALA 83 3.277 -8.937 4.094 636 HB1 ALA 83 1HB ALA 83 4.749 -10.637 2.086 637 HB2 ALA 83 2HB ALA 83 4.809 -8.875 2.142 638 HB3 ALA 83 3HB ALA 83 5.430 -9.822 3.495 639 H ILE 84 H ILE 84 2.050 -11.463 1.993 640 HA ILE 84 HA ILE 84 1.002 -9.750 -0.015 641 HB ILE 84 HB ILE 84 0.174 -12.557 0.733 642 HG12 ILE 84 2HG1 ILE 84 1.820 -11.839 -1.662 643 HG13 ILE 84 3HG1 ILE 84 2.601 -11.944 -0.088 644 HG21 ILE 84 1HG2 ILE 84 -0.996 -10.680 -1.070 645 HG22 ILE 84 2HG2 ILE 84 -0.296 -12.009 -1.993 646 HG23 ILE 84 3HG2 ILE 84 -1.479 -12.341 -0.730 647 HD11 ILE 84 1HD1 ILE 84 0.887 -14.222 -0.727 648 HD12 ILE 84 2HD1 ILE 84 2.264 -14.014 -1.809 649 HD13 ILE 84 3HD1 ILE 84 2.523 -14.174 -0.072 650 H VAL 85 H VAL 85 -0.694 -11.628 2.506 651 HA VAL 85 HA VAL 85 -3.205 -10.485 2.161 652 HB VAL 85 HB VAL 85 -3.725 -11.242 4.435 653 HG11 VAL 85 1HG1 VAL 85 -2.618 -13.656 4.052 654 HG12 VAL 85 2HG1 VAL 85 -3.997 -13.065 3.123 655 HG13 VAL 85 3HG1 VAL 85 -2.368 -12.958 2.452 656 HG21 VAL 85 1HG2 VAL 85 -1.533 -10.548 5.417 657 HG22 VAL 85 2HG2 VAL 85 -2.073 -12.155 5.901 658 HG23 VAL 85 3HG2 VAL 85 -0.813 -11.979 4.680 659 H THR 86 H THR 86 -0.378 -9.224 3.703 660 HA THR 86 HA THR 86 -1.665 -7.273 5.329 661 HB THR 86 HB THR 86 1.164 -7.259 4.258 662 HG1 THR 86 HG1 THR 86 0.259 -8.133 6.811 663 HG21 THR 86 1HG2 THR 86 0.295 -5.081 5.137 664 HG22 THR 86 2HG2 THR 86 1.668 -5.730 6.035 665 HG23 THR 86 3HG2 THR 86 0.037 -5.874 6.690 666 H LEU 87 H LEU 87 0.151 -6.968 2.270 667 HA LEU 87 HA LEU 87 -0.486 -4.264 1.839 668 HB2 LEU 87 2HB LEU 87 0.310 -6.453 -0.069 669 HB3 LEU 87 3HB LEU 87 0.135 -4.764 -0.544 670 HG LEU 87 HG LEU 87 2.088 -5.767 1.526 671 HD11 LEU 87 1HD1 LEU 87 3.649 -6.061 -0.058 672 HD12 LEU 87 2HD1 LEU 87 3.074 -4.704 -1.027 673 HD13 LEU 87 3HD1 LEU 87 2.263 -6.267 -1.131 674 HD21 LEU 87 1HD2 LEU 87 2.863 -3.306 0.436 675 HD22 LEU 87 2HD2 LEU 87 2.275 -3.623 2.068 676 HD23 LEU 87 3HD2 LEU 87 1.144 -3.155 0.798 677 H LYS 88 H LYS 88 -2.295 -7.152 1.363 678 HA LYS 88 HA LYS 88 -4.095 -6.160 -0.616 679 HB2 LYS 88 2HB LYS 88 -4.255 -8.471 1.318 680 HB3 LYS 88 3HB LYS 88 -5.522 -8.111 0.151 681 HG2 LYS 88 2HG LYS 88 -2.762 -8.359 -0.888 682 HG3 LYS 88 3HG LYS 88 -3.561 -9.834 -0.339 683 HD2 LYS 88 2HD LYS 88 -5.530 -9.107 -1.789 684 HD3 LYS 88 3HD LYS 88 -4.421 -7.937 -2.507 685 HE2 LYS 88 2HE LYS 88 -3.432 -9.504 -3.748 686 HE3 LYS 88 3HE LYS 88 -3.261 -10.590 -2.370 687 HZ1 LYS 88 1HZ LYS 88 -4.727 -11.829 -3.497 688 HZ2 LYS 88 2HZ LYS 88 -5.282 -10.537 -4.436 689 HZ3 LYS 88 3HZ LYS 88 -5.885 -10.765 -2.873 690 H VAL 89 H VAL 89 -4.690 -6.940 2.817 691 HA VAL 89 HA VAL 89 -7.149 -5.710 3.067 692 HB VAL 89 HB VAL 89 -6.252 -7.133 4.818 693 HG11 VAL 89 1HG1 VAL 89 -4.341 -4.880 5.433 694 HG12 VAL 89 2HG1 VAL 89 -4.489 -6.406 6.310 695 HG13 VAL 89 3HG1 VAL 89 -3.904 -6.396 4.645 696 HG21 VAL 89 1HG2 VAL 89 -7.374 -6.102 6.489 697 HG22 VAL 89 2HG2 VAL 89 -6.483 -4.592 6.305 698 HG23 VAL 89 3HG2 VAL 89 -7.807 -4.974 5.203 699 H PHE 90 H PHE 90 -3.933 -4.295 3.276 700 HA PHE 90 HA PHE 90 -4.748 -1.756 4.232 701 HB2 PHE 90 2HB PHE 90 -2.445 -2.411 4.463 702 HB3 PHE 90 3HB PHE 90 -2.281 -2.636 2.725 703 HD1 PHE 90 HD1 PHE 90 -2.133 -0.713 1.231 704 HD2 PHE 90 HD2 PHE 90 -2.346 -0.235 5.456 705 HE1 PHE 90 HE1 PHE 90 -1.364 1.613 1.003 706 HE2 PHE 90 HE2 PHE 90 -1.579 2.093 5.234 707 HZ PHE 90 HZ PHE 90 -1.088 3.019 3.006 708 H ALA 91 H ALA 91 -4.210 -3.056 0.988 709 HA ALA 91 HA ALA 91 -4.611 -0.625 -0.401 710 HB1 ALA 91 1HB ALA 91 -4.588 -1.896 -2.369 711 HB2 ALA 91 2HB ALA 91 -3.543 -2.781 -1.257 712 HB3 ALA 91 3HB ALA 91 -5.191 -3.337 -1.551 713 H VAL 92 H VAL 92 -6.792 -3.338 0.327 714 HA VAL 92 HA VAL 92 -9.059 -2.188 -0.939 715 HB VAL 92 HB VAL 92 -9.088 -4.240 1.273 716 HG11 VAL 92 1HG1 VAL 92 -11.075 -3.163 -0.622 717 HG12 VAL 92 2HG1 VAL 92 -11.087 -4.913 -0.395 718 HG13 VAL 92 3HG1 VAL 92 -11.293 -3.841 0.992 719 HG21 VAL 92 1HG2 VAL 92 -9.348 -5.550 -1.167 720 HG22 VAL 92 2HG2 VAL 92 -8.020 -4.415 -1.407 721 HG23 VAL 92 3HG2 VAL 92 -7.952 -5.586 -0.090 722 H ALA 93 H ALA 93 -8.336 -2.644 2.528 723 HA ALA 93 HA ALA 93 -10.460 -1.024 3.438 724 HB1 ALA 93 1HB ALA 93 -7.901 -1.689 4.887 725 HB2 ALA 93 2HB ALA 93 -9.420 -1.160 5.611 726 HB3 ALA 93 3HB ALA 93 -9.321 -2.731 4.815 727 H GLY 94 H GLY 94 -7.494 -0.217 2.004 728 HA2 GLY 94 2HA GLY 94 -7.390 2.426 3.266 729 HA3 GLY 94 3HA GLY 94 -6.165 1.733 2.213 730 H LEU 95 H LEU 95 -6.849 1.422 -0.100 731 HA LEU 95 HA LEU 95 -7.654 3.878 -1.189 732 HB2 LEU 95 2HB LEU 95 -7.383 1.125 -2.357 733 HB3 LEU 95 3HB LEU 95 -7.884 2.506 -3.330 734 HG LEU 95 HG LEU 95 -5.559 2.163 -3.701 735 HD11 LEU 95 1HD1 LEU 95 -6.366 4.504 -3.399 736 HD12 LEU 95 2HD1 LEU 95 -4.647 4.278 -3.080 737 HD13 LEU 95 3HD1 LEU 95 -5.778 4.435 -1.737 738 HD21 LEU 95 1HD2 LEU 95 -4.882 2.527 -0.818 739 HD22 LEU 95 2HD2 LEU 95 -3.961 1.742 -2.101 740 HD23 LEU 95 3HD2 LEU 95 -5.365 0.934 -1.400 741 H LEU 96 H LEU 96 -9.414 0.823 -0.797 742 HA LEU 96 HA LEU 96 -11.846 1.983 -1.865 743 HB2 LEU 96 2HB LEU 96 -10.814 -0.645 -1.437 744 HB3 LEU 96 3HB LEU 96 -12.368 -0.501 -0.619 745 HG LEU 96 HG LEU 96 -13.336 0.283 -2.798 746 HD11 LEU 96 1HD1 LEU 96 -11.150 0.957 -3.784 747 HD12 LEU 96 2HD1 LEU 96 -12.126 -0.073 -4.829 748 HD13 LEU 96 3HD1 LEU 96 -10.754 -0.753 -3.954 749 HD21 LEU 96 1HD2 LEU 96 -12.571 -2.257 -3.723 750 HD22 LEU 96 2HD2 LEU 96 -14.027 -1.825 -2.828 751 HD23 LEU 96 3HD2 LEU 96 -12.583 -2.351 -1.961 752 H ASN 97 H ASN 97 -10.308 2.198 1.017 753 HA ASN 97 HA ASN 97 -10.912 2.683 3.161 754 HB2 ASN 97 2HB ASN 97 -13.411 3.735 1.818 755 HB3 ASN 97 3HB ASN 97 -12.805 4.198 3.405 756 HD21 ASN 97 1HD2 ASN 97 -12.298 4.414 -0.034 757 HD22 ASN 97 2HD2 ASN 97 -11.209 5.754 0.011 758 H MET 98 H MET 98 -11.680 0.054 2.104 759 HA MET 98 HA MET 98 -14.253 -0.609 3.165 760 HB2 MET 98 2HB MET 98 -12.786 -1.803 1.329 761 HB3 MET 98 3HB MET 98 -12.137 -2.672 2.714 762 HG2 MET 98 2HG MET 98 -14.083 -3.781 3.114 763 HG3 MET 98 3HG MET 98 -15.083 -2.495 2.443 764 HE1 MET 98 1HE MET 98 -15.776 -5.798 0.318 765 HE2 MET 98 2HE MET 98 -14.990 -5.954 1.889 766 HE3 MET 98 3HE MET 98 -16.327 -4.823 1.681 767 H THR 99 H THR 99 -14.418 -2.460 4.800 768 HA THR 99 HA THR 99 -12.410 -2.223 6.924 769 HB THR 99 HB THR 99 -14.081 -0.660 7.627 770 HG1 THR 99 HG1 THR 99 -14.608 -3.099 9.002 771 HG21 THR 99 1HG2 THR 99 -16.451 -1.908 8.048 772 HG22 THR 99 2HG2 THR 99 -15.928 -2.690 6.555 773 HG23 THR 99 3HG2 THR 99 -16.086 -0.935 6.624 774 H VAL 100 H VAL 100 -12.094 -4.367 5.663 775 HA VAL 100 HA VAL 100 -13.842 -6.519 5.908 776 HB VAL 100 HB VAL 100 -11.810 -7.966 5.723 777 HG11 VAL 100 1HG1 VAL 100 -11.255 -7.283 3.474 778 HG12 VAL 100 2HG1 VAL 100 -12.980 -7.033 3.754 779 HG13 VAL 100 3HG1 VAL 100 -11.873 -5.659 3.781 780 HG21 VAL 100 1HG2 VAL 100 -10.400 -5.308 5.876 781 HG22 VAL 100 2HG2 VAL 100 -10.211 -6.685 6.962 782 HG23 VAL 100 3HG2 VAL 100 -9.648 -6.792 5.294 783 H SER 101 H SER 101 -13.019 -8.581 7.214 784 HA SER 101 HA SER 101 -13.172 -7.784 10.019 785 HB2 SER 101 2HB SER 101 -13.215 -10.660 9.347 786 HB3 SER 101 3HB SER 101 -14.286 -9.728 10.393 787 HG SER 101 HG SER 101 -15.115 -8.836 8.318 788 H THR 102 H THR 102 -11.125 -9.619 7.815 789 HA THR 102 HA THR 102 -8.918 -9.367 9.705 790 HB THR 102 HB THR 102 -8.284 -11.669 9.644 791 HG1 THR 102 HG1 THR 102 -8.830 -12.754 7.917 792 HG21 THR 102 1HG2 THR 102 -9.967 -11.142 11.320 793 HG22 THR 102 2HG2 THR 102 -10.222 -12.774 10.700 794 HG23 THR 102 3HG2 THR 102 -11.253 -11.452 10.155 795 H ALA 103 H ALA 103 -6.829 -9.694 8.734 796 HA ALA 103 HA ALA 103 -6.484 -8.485 6.271 797 HB1 ALA 103 1HB ALA 103 -4.641 -8.553 7.739 798 HB2 ALA 103 2HB ALA 103 -4.680 -10.314 7.832 799 HB3 ALA 103 3HB ALA 103 -4.175 -9.521 6.341 800 H ALA 104 H ALA 104 -6.805 -11.908 7.048 801 HA ALA 104 HA ALA 104 -6.124 -12.922 4.504 802 HB1 ALA 104 1HB ALA 104 -7.983 -14.679 5.676 803 HB2 ALA 104 2HB ALA 104 -6.223 -14.796 5.686 804 HB3 ALA 104 3HB ALA 104 -7.059 -13.964 6.998 805 H ALA 105 H ALA 105 -9.288 -12.231 5.982 806 HA ALA 105 HA ALA 105 -10.929 -13.021 3.899 807 HB1 ALA 105 1HB ALA 105 -12.502 -11.218 4.792 808 HB2 ALA 105 2HB ALA 105 -11.981 -12.472 5.918 809 HB3 ALA 105 3HB ALA 105 -11.238 -10.874 5.974 810 H ALA 106 H ALA 106 -9.220 -9.962 4.351 811 HA ALA 106 HA ALA 106 -10.386 -8.572 2.196 812 HB1 ALA 106 1HB ALA 106 -7.661 -7.768 2.614 813 HB2 ALA 106 2HB ALA 106 -9.152 -6.908 2.995 814 HB3 ALA 106 3HB ALA 106 -8.464 -8.038 4.161 815 H GLU 107 H GLU 107 -7.266 -10.291 2.400 816 HA GLU 107 HA GLU 107 -6.413 -9.941 -0.200 817 HB2 GLU 107 2HB GLU 107 -5.059 -10.969 1.593 818 HB3 GLU 107 3HB GLU 107 -6.053 -12.416 1.498 819 HG2 GLU 107 2HG GLU 107 -4.976 -11.666 -1.084 820 HG3 GLU 107 3HG GLU 107 -3.713 -11.927 0.117 821 H ASN 108 H ASN 108 -8.683 -12.313 1.083 822 HA ASN 108 HA ASN 108 -8.919 -13.871 -1.262 823 HB2 ASN 108 2HB ASN 108 -9.798 -14.176 1.265 824 HB3 ASN 108 3HB ASN 108 -11.287 -13.617 0.509 825 HD21 ASN 108 1HD2 ASN 108 -11.443 -16.020 1.500 826 HD22 ASN 108 2HD2 ASN 108 -11.362 -17.245 0.283 827 H MET 109 H MET 109 -10.752 -11.095 -0.043 828 HA MET 109 HA MET 109 -12.701 -11.063 -2.079 829 HB2 MET 109 2HB MET 109 -11.646 -8.904 -0.256 830 HB3 MET 109 3HB MET 109 -12.960 -8.629 -1.392 831 HG2 MET 109 2HG MET 109 -13.366 -10.980 0.273 832 HG3 MET 109 3HG MET 109 -13.211 -9.488 1.199 833 HE1 MET 109 1HE MET 109 -15.815 -8.599 1.940 834 HE2 MET 109 2HE MET 109 -16.966 -9.793 1.342 835 HE3 MET 109 3HE MET 109 -15.433 -10.319 2.038 836 H TYR 110 H TYR 110 -9.498 -9.630 -1.831 837 HA TYR 110 HA TYR 110 -9.643 -7.938 -4.069 838 HB2 TYR 110 2HB TYR 110 -7.787 -8.370 -2.146 839 HB3 TYR 110 3HB TYR 110 -7.030 -9.203 -3.499 840 HD1 TYR 110 HD1 TYR 110 -8.977 -6.023 -3.165 841 HD2 TYR 110 HD2 TYR 110 -5.392 -7.910 -4.468 842 HE1 TYR 110 HE1 TYR 110 -8.165 -3.869 -4.030 843 HE2 TYR 110 HE2 TYR 110 -4.570 -5.759 -5.336 844 HH TYR 110 HH TYR 110 -4.963 -3.587 -5.544 845 H SER 111 H SER 111 -8.250 -11.207 -3.776 846 HA SER 111 HA SER 111 -7.730 -11.484 -6.549 847 HB2 SER 111 2HB SER 111 -7.365 -13.873 -6.021 848 HB3 SER 111 3HB SER 111 -6.530 -12.815 -4.883 849 HG SER 111 HG SER 111 -8.773 -14.445 -4.494 850 H GLN 112 H GLN 112 -10.395 -12.533 -4.469 851 HA GLN 112 HA GLN 112 -11.788 -14.014 -6.417 852 HB2 GLN 112 2HB GLN 112 -12.183 -14.106 -3.945 853 HB3 GLN 112 3HB GLN 112 -12.978 -12.543 -4.063 854 HG2 GLN 112 2HG GLN 112 -14.650 -13.501 -5.560 855 HG3 GLN 112 3HG GLN 112 -13.852 -15.069 -5.446 856 HE21 GLN 112 1HE2 GLN 112 -15.299 -16.280 -4.405 857 HE22 GLN 112 2HE2 GLN 112 -15.976 -15.913 -2.859 858 H MET 113 H MET 113 -11.688 -10.603 -5.666 859 HA MET 113 HA MET 113 -14.003 -9.846 -7.117 860 HB2 MET 113 2HB MET 113 -11.665 -8.445 -5.932 861 HB3 MET 113 3HB MET 113 -12.566 -7.588 -7.176 862 HG2 MET 113 2HG MET 113 -14.497 -7.502 -5.904 863 HG3 MET 113 3HG MET 113 -13.995 -8.840 -4.873 864 HE1 MET 113 1HE MET 113 -13.118 -4.533 -4.963 865 HE2 MET 113 2HE MET 113 -11.505 -5.220 -5.161 866 HE3 MET 113 3HE MET 113 -12.796 -5.664 -6.278 867 H GLY 114 H GLY 114 -10.789 -10.675 -8.052 868 HA2 GLY 114 2HA GLY 114 -10.459 -11.299 -10.383 869 HA3 GLY 114 3HA GLY 114 -11.452 -9.919 -10.828 870 H LEU 115 H LEU 115 -9.159 -9.520 -8.281 871 HA LEU 115 HA LEU 115 -7.575 -7.782 -10.034 872 HB2 LEU 115 2HB LEU 115 -7.794 -7.937 -7.033 873 HB3 LEU 115 3HB LEU 115 -6.684 -6.868 -7.889 874 HG LEU 115 HG LEU 115 -8.969 -6.080 -9.025 875 HD11 LEU 115 1HD1 LEU 115 -9.844 -6.764 -6.231 876 HD12 LEU 115 2HD1 LEU 115 -10.226 -7.768 -7.629 877 HD13 LEU 115 3HD1 LEU 115 -10.812 -6.106 -7.551 878 HD21 LEU 115 1HD2 LEU 115 -7.170 -5.078 -7.158 879 HD22 LEU 115 2HD2 LEU 115 -8.756 -4.821 -6.431 880 HD23 LEU 115 3HD2 LEU 115 -8.404 -4.171 -8.033 881 H ASP 116 H ASP 116 -7.448 -10.743 -8.325 882 HA ASP 116 HA ASP 116 -4.666 -11.094 -9.139 883 HB2 ASP 116 2HB ASP 116 -5.340 -10.547 -6.478 884 HB3 ASP 116 3HB ASP 116 -5.079 -12.288 -6.532 885 H THR 117 H THR 117 -4.056 -13.514 -8.379 886 HA THR 117 HA THR 117 -6.300 -15.225 -9.232 887 HB THR 117 HB THR 117 -3.682 -16.360 -9.792 888 HG1 THR 117 HG1 THR 117 -2.867 -14.834 -11.047 889 HG21 THR 117 1HG2 THR 117 -5.309 -17.440 -10.956 890 HG22 THR 117 2HG2 THR 117 -4.918 -16.219 -12.166 891 HG23 THR 117 3HG2 THR 117 -6.310 -15.998 -11.106 892 H ARG 118 H ARG 118 -6.454 -17.287 -8.312 893 HA ARG 118 HA ARG 118 -5.127 -17.522 -5.717 894 HB2 ARG 118 2HB ARG 118 -7.684 -18.445 -6.867 895 HB3 ARG 118 3HB ARG 118 -6.898 -19.581 -5.779 896 HG2 ARG 118 2HG ARG 118 -6.754 -17.709 -4.104 897 HG3 ARG 118 3HG ARG 118 -7.800 -16.780 -5.180 898 HD2 ARG 118 2HD ARG 118 -9.610 -17.847 -4.448 899 HD3 ARG 118 3HD ARG 118 -8.869 -19.418 -4.746 900 HE ARG 118 HE ARG 118 -7.710 -18.573 -2.436 901 HH11 ARG 118 1HH1 ARG 118 -10.998 -18.982 -3.503 902 HH12 ARG 118 2HH1 ARG 118 -11.604 -19.343 -1.921 903 HH21 ARG 118 1HH2 ARG 118 -8.495 -19.047 -0.349 904 HH22 ARG 118 2HH2 ARG 118 -10.180 -19.379 -0.127 905 HA PRO 119 HA PRO 119 -2.521 -20.875 -6.813 906 HB2 PRO 119 2HB PRO 119 -2.682 -22.484 -4.633 907 HB3 PRO 119 3HB PRO 119 -1.831 -20.934 -4.623 908 HG2 PRO 119 2HG PRO 119 -4.581 -21.592 -3.638 909 HG3 PRO 119 3HG PRO 119 -3.333 -20.583 -2.883 910 HD2 PRO 119 2HD PRO 119 -5.423 -19.536 -4.249 911 HD3 PRO 119 3HD PRO 119 -3.826 -18.762 -4.207 912 H21 MYR 201 1H2 MYR 1 7.732 10.416 5.330 913 H22 MYR 201 2H2 MYR 1 6.765 11.148 6.595 914 H31 MYR 201 1H3 MYR 1 5.552 9.005 7.008 915 H32 MYR 201 2H3 MYR 1 6.691 8.106 6.004 916 H41 MYR 201 1H4 MYR 1 5.926 9.705 4.029 917 H42 MYR 201 2H4 MYR 1 4.585 10.163 5.083 918 H51 MYR 201 1H5 MYR 1 3.440 8.279 4.468 919 H52 MYR 201 2H5 MYR 1 4.707 7.268 5.165 920 H61 MYR 201 1H6 MYR 1 5.998 7.313 3.020 921 H62 MYR 201 2H6 MYR 1 4.854 8.457 2.312 922 H71 MYR 201 1H7 MYR 1 3.756 5.813 3.396 923 H72 MYR 201 2H7 MYR 1 4.663 5.774 1.882 924 H81 MYR 201 1H8 MYR 1 3.070 7.795 1.145 925 H82 MYR 201 2H8 MYR 1 2.051 7.280 2.492 926 H91 MYR 201 1H9 MYR 1 2.436 4.820 1.329 927 H92 MYR 201 2H9 MYR 1 2.691 5.814 -0.105 928 H101 MYR 201 1H10 MYR 1 0.477 6.503 -0.223 929 H102 MYR 201 2H10 MYR 1 0.271 6.622 1.517 930 H111 MYR 201 1H11 MYR 1 -1.151 4.814 0.412 931 H112 MYR 201 2H11 MYR 1 -0.145 4.237 1.732 932 H121 MYR 201 1H12 MYR 1 1.203 4.031 -0.948 933 H122 MYR 201 2H12 MYR 1 -0.267 3.067 -0.816 934 H131 MYR 201 1H13 MYR 1 0.756 2.258 1.527 935 H132 MYR 201 2H13 MYR 1 2.282 2.875 0.892 936 H141 MYR 201 1H14 MYR 1 1.738 0.334 0.426 937 H142 MYR 201 2H14 MYR 1 0.554 0.920 -0.765 938 H143 MYR 201 3H14 MYR 1 2.280 1.290 -0.979 Start of MODEL 19 1 H GLY 2 H GLY 2 2.987 12.941 -0.758 2 HA2 GLY 2 2HA GLY 2 4.355 13.999 -2.832 3 HA3 GLY 2 3HA GLY 2 4.054 12.358 -3.384 4 H ASN 3 H ASN 3 2.648 12.805 -5.022 5 HA ASN 3 HA ASN 3 0.583 14.678 -4.981 6 HB2 ASN 3 2HB ASN 3 1.553 12.731 -6.775 7 HB3 ASN 3 3HB ASN 3 -0.161 12.385 -6.562 8 HD21 ASN 3 1HD2 ASN 3 1.891 13.918 -8.492 9 HD22 ASN 3 2HD2 ASN 3 0.904 15.225 -9.045 10 H GLY 4 H GLY 4 -1.028 14.772 -3.561 11 HA2 GLY 4 2HA GLY 4 -3.034 14.103 -2.589 12 HA3 GLY 4 3HA GLY 4 -2.774 12.487 -3.229 13 H GLN 5 H GLN 5 -2.897 11.146 -1.544 14 HA GLN 5 HA GLN 5 -2.468 10.155 0.457 15 HB2 GLN 5 2HB GLN 5 0.067 11.781 0.548 16 HB3 GLN 5 3HB GLN 5 -0.234 10.203 1.263 17 HG2 GLN 5 2HG GLN 5 0.222 10.909 -1.608 18 HG3 GLN 5 3HG GLN 5 1.089 9.756 -0.595 19 HE21 GLN 5 1HE2 GLN 5 -0.568 9.711 -3.206 20 HE22 GLN 5 2HE2 GLN 5 -1.559 8.310 -3.008 21 H GLY 6 H GLY 6 -1.340 10.932 2.804 22 HA2 GLY 6 2HA GLY 6 -1.365 12.695 4.432 23 HA3 GLY 6 3HA GLY 6 -2.615 13.495 3.491 24 H ARG 7 H ARG 7 -4.693 13.183 4.028 25 HA ARG 7 HA ARG 7 -5.405 12.046 6.463 26 HB2 ARG 7 2HB ARG 7 -7.088 12.651 4.029 27 HB3 ARG 7 3HB ARG 7 -7.761 12.172 5.582 28 HG2 ARG 7 2HG ARG 7 -5.993 14.302 6.091 29 HG3 ARG 7 3HG ARG 7 -6.961 14.758 4.688 30 HD2 ARG 7 2HD ARG 7 -8.264 13.578 7.108 31 HD3 ARG 7 3HD ARG 7 -7.834 15.287 7.075 32 HE ARG 7 HE ARG 7 -9.347 14.413 4.789 33 HH11 ARG 7 1HH1 ARG 7 -9.502 15.637 8.044 34 HH12 ARG 7 2HH1 ARG 7 -11.092 16.300 7.858 35 HH21 ARG 7 1HH2 ARG 7 -11.441 15.280 4.531 36 HH22 ARG 7 2HH2 ARG 7 -12.194 16.096 5.860 37 H ASP 8 H ASP 8 -5.628 10.701 3.192 38 HA ASP 8 HA ASP 8 -6.922 8.303 3.881 39 HB2 ASP 8 2HB ASP 8 -5.286 9.234 1.563 40 HB3 ASP 8 3HB ASP 8 -5.609 7.510 1.717 41 H TRP 9 H TRP 9 -3.556 9.260 3.968 42 HA TRP 9 HA TRP 9 -2.462 6.665 4.292 43 HB2 TRP 9 2HB TRP 9 -1.021 8.446 3.574 44 HB3 TRP 9 3HB TRP 9 -1.402 9.404 5.002 45 HD1 TRP 9 HD1 TRP 9 0.203 9.165 7.001 46 HE1 TRP 9 HE1 TRP 9 2.153 7.596 7.601 47 HE3 TRP 9 HE3 TRP 9 -0.248 5.810 3.171 48 HZ2 TRP 9 HZ2 TRP 9 3.342 5.246 6.586 49 HZ3 TRP 9 HZ3 TRP 9 1.335 3.929 3.058 50 HH2 TRP 9 HH2 TRP 9 3.093 3.656 4.729 51 H LYS 10 H LYS 10 -3.035 9.269 6.664 52 HA LYS 10 HA LYS 10 -2.415 7.688 8.922 53 HB2 LYS 10 2HB LYS 10 -2.894 10.351 8.482 54 HB3 LYS 10 3HB LYS 10 -4.340 9.866 9.359 55 HG2 LYS 10 2HG LYS 10 -2.865 10.580 11.014 56 HG3 LYS 10 3HG LYS 10 -2.747 8.819 11.057 57 HD2 LYS 10 2HD LYS 10 -0.738 9.006 9.571 58 HD3 LYS 10 3HD LYS 10 -0.818 10.756 9.784 59 HE2 LYS 10 2HE LYS 10 0.310 10.577 11.687 60 HE3 LYS 10 3HE LYS 10 -0.965 9.555 12.350 61 HZ1 LYS 10 1HZ LYS 10 0.477 7.919 10.684 62 HZ2 LYS 10 2HZ LYS 10 0.529 7.933 12.374 63 HZ3 LYS 10 3HZ LYS 10 1.650 8.837 11.487 64 H MET 11 H MET 11 -5.351 8.192 7.097 65 HA MET 11 HA MET 11 -7.103 7.047 9.046 66 HB2 MET 11 2HB MET 11 -7.377 7.758 6.139 67 HB3 MET 11 3HB MET 11 -8.649 6.881 6.978 68 HG2 MET 11 2HG MET 11 -7.745 9.235 8.427 69 HG3 MET 11 3HG MET 11 -8.387 9.607 6.828 70 HE1 MET 11 1HE MET 11 -11.899 8.352 6.799 71 HE2 MET 11 2HE MET 11 -11.313 10.011 6.708 72 HE3 MET 11 3HE MET 11 -10.417 8.715 5.915 73 H ALA 12 H ALA 12 -5.561 5.862 6.078 74 HA ALA 12 HA ALA 12 -6.712 3.326 5.998 75 HB1 ALA 12 1HB ALA 12 -5.549 3.930 4.084 76 HB2 ALA 12 2HB ALA 12 -4.118 4.426 4.989 77 HB3 ALA 12 3HB ALA 12 -4.501 2.714 4.815 78 H ILE 13 H ILE 13 -3.720 4.401 7.588 79 HA ILE 13 HA ILE 13 -2.982 1.874 8.598 80 HB ILE 13 HB ILE 13 -2.312 4.623 9.655 81 HG12 ILE 13 2HG1 ILE 13 -1.604 4.168 7.314 82 HG13 ILE 13 3HG1 ILE 13 -0.245 4.392 8.409 83 HG21 ILE 13 1HG2 ILE 13 -0.416 3.507 10.763 84 HG22 ILE 13 2HG2 ILE 13 -1.974 2.955 11.375 85 HG23 ILE 13 3HG2 ILE 13 -1.061 1.946 10.254 86 HD11 ILE 13 1HD1 ILE 13 0.078 1.985 8.513 87 HD12 ILE 13 2HD1 ILE 13 -1.299 1.748 7.436 88 HD13 ILE 13 3HD1 ILE 13 0.148 2.569 6.852 89 H LYS 14 H LYS 14 -4.528 4.632 10.249 90 HA LYS 14 HA LYS 14 -4.987 3.341 12.687 91 HB2 LYS 14 2HB LYS 14 -5.302 5.863 11.853 92 HB3 LYS 14 3HB LYS 14 -6.978 5.342 11.743 93 HG2 LYS 14 2HG LYS 14 -6.627 6.356 13.878 94 HG3 LYS 14 3HG LYS 14 -6.856 4.622 14.113 95 HD2 LYS 14 2HD LYS 14 -4.591 4.267 14.571 96 HD3 LYS 14 3HD LYS 14 -4.112 5.807 13.855 97 HE2 LYS 14 2HE LYS 14 -5.355 6.951 15.702 98 HE3 LYS 14 3HE LYS 14 -5.585 5.370 16.447 99 HZ1 LYS 14 1HZ LYS 14 -3.704 6.229 17.476 100 HZ2 LYS 14 2HZ LYS 14 -3.069 6.861 16.041 101 HZ3 LYS 14 3HZ LYS 14 -3.061 5.190 16.304 102 H ARG 15 H ARG 15 -6.607 3.079 9.652 103 HA ARG 15 HA ARG 15 -9.028 1.950 10.756 104 HB2 ARG 15 2HB ARG 15 -7.999 2.503 8.000 105 HB3 ARG 15 3HB ARG 15 -9.339 1.384 8.208 106 HG2 ARG 15 2HG ARG 15 -9.836 3.752 9.730 107 HG3 ARG 15 3HG ARG 15 -9.426 4.186 8.070 108 HD2 ARG 15 2HD ARG 15 -11.280 3.193 7.208 109 HD3 ARG 15 3HD ARG 15 -11.313 1.937 8.444 110 HE ARG 15 HE ARG 15 -12.623 4.501 8.534 111 HH11 ARG 15 1HH1 ARG 15 -11.401 1.823 10.393 112 HH12 ARG 15 2HH1 ARG 15 -12.435 2.125 11.750 113 HH21 ARG 15 1HH2 ARG 15 -13.989 4.908 10.314 114 HH22 ARG 15 2HH2 ARG 15 -13.907 3.878 11.704 115 H CYS 16 H CYS 16 -6.571 0.683 8.493 116 HA CYS 16 HA CYS 16 -7.337 -2.000 8.731 117 HB2 CYS 16 2HB CYS 16 -5.306 -2.539 7.585 118 HB3 CYS 16 3HB CYS 16 -5.885 -1.013 6.928 119 HG CYS 16 HG CYS 16 -3.007 -1.181 7.249 120 H SER 17 H SER 17 -5.579 0.021 10.858 121 HA SER 17 HA SER 17 -3.903 -1.781 12.161 122 HB2 SER 17 2HB SER 17 -5.132 0.826 12.807 123 HB3 SER 17 3HB SER 17 -4.659 -0.145 14.202 124 HG SER 17 HG SER 17 -2.872 0.191 12.059 125 H ASN 18 H ASN 18 -7.339 -1.479 12.231 126 HA ASN 18 HA ASN 18 -7.548 -3.198 14.593 127 HB2 ASN 18 2HB ASN 18 -9.701 -1.748 13.037 128 HB3 ASN 18 3HB ASN 18 -9.957 -2.677 14.511 129 HD21 ASN 18 1HD2 ASN 18 -10.875 -0.355 14.844 130 HD22 ASN 18 2HD2 ASN 18 -9.812 0.725 15.674 131 H VAL 19 H VAL 19 -6.571 -4.176 12.013 132 HA VAL 19 HA VAL 19 -8.728 -6.049 11.298 133 HB VAL 19 HB VAL 19 -6.269 -5.272 9.722 134 HG11 VAL 19 1HG1 VAL 19 -6.844 -7.599 9.334 135 HG12 VAL 19 2HG1 VAL 19 -8.521 -7.152 9.016 136 HG13 VAL 19 3HG1 VAL 19 -7.242 -6.627 7.919 137 HG21 VAL 19 1HG2 VAL 19 -8.066 -3.559 9.847 138 HG22 VAL 19 2HG2 VAL 19 -7.782 -4.166 8.216 139 HG23 VAL 19 3HG2 VAL 19 -9.177 -4.729 9.136 140 H ALA 20 H ALA 20 -8.520 -8.127 11.815 141 HA ALA 20 HA ALA 20 -6.147 -9.028 13.189 142 HB1 ALA 20 1HB ALA 20 -8.863 -9.701 13.250 143 HB2 ALA 20 2HB ALA 20 -8.026 -11.136 12.658 144 HB3 ALA 20 3HB ALA 20 -7.558 -10.414 14.197 145 H VAL 21 H VAL 21 -4.455 -9.916 12.221 146 HA VAL 21 HA VAL 21 -4.255 -10.438 9.494 147 HB VAL 21 HB VAL 21 -2.590 -11.773 11.628 148 HG11 VAL 21 1HG1 VAL 21 -0.843 -11.385 9.742 149 HG12 VAL 21 2HG1 VAL 21 -1.971 -12.737 9.619 150 HG13 VAL 21 3HG1 VAL 21 -2.260 -11.258 8.702 151 HG21 VAL 21 1HG2 VAL 21 -2.419 -9.545 12.240 152 HG22 VAL 21 2HG2 VAL 21 -1.067 -9.734 11.123 153 HG23 VAL 21 3HG2 VAL 21 -2.560 -8.970 10.578 154 H GLY 22 H GLY 22 -5.466 -12.417 12.071 155 HA2 GLY 22 2HA GLY 22 -5.624 -14.717 10.226 156 HA3 GLY 22 3HA GLY 22 -5.597 -14.850 11.978 157 H VAL 23 H VAL 23 -7.546 -15.567 9.680 158 HA VAL 23 HA VAL 23 -9.927 -14.093 10.337 159 HB VAL 23 HB VAL 23 -9.665 -14.953 8.084 160 HG11 VAL 23 1HG1 VAL 23 -8.665 -17.227 9.346 161 HG12 VAL 23 2HG1 VAL 23 -10.168 -17.750 8.584 162 HG13 VAL 23 3HG1 VAL 23 -8.904 -16.990 7.617 163 HG21 VAL 23 1HG2 VAL 23 -11.849 -15.584 7.773 164 HG22 VAL 23 2HG2 VAL 23 -11.855 -16.656 9.174 165 HG23 VAL 23 3HG2 VAL 23 -11.940 -14.909 9.399 166 H GLY 24 H GLY 24 -11.536 -14.638 11.710 167 HA2 GLY 24 2HA GLY 24 -12.701 -15.781 13.328 168 HA3 GLY 24 3HA GLY 24 -12.022 -17.261 12.664 169 H GLY 25 H GLY 25 -12.125 -15.274 15.336 170 HA2 GLY 25 2HA GLY 25 -10.990 -15.267 17.332 171 HA3 GLY 25 3HA GLY 25 -10.434 -16.873 16.887 172 H LYS 26 H LYS 26 -8.397 -16.511 17.808 173 HA LYS 26 HA LYS 26 -6.215 -15.867 17.867 174 HB2 LYS 26 2HB LYS 26 -6.330 -16.868 15.585 175 HB3 LYS 26 3HB LYS 26 -6.650 -15.264 14.937 176 HG2 LYS 26 2HG LYS 26 -4.488 -14.489 15.653 177 HG3 LYS 26 3HG LYS 26 -4.169 -16.024 16.465 178 HD2 LYS 26 2HD LYS 26 -4.866 -16.147 13.589 179 HD3 LYS 26 3HD LYS 26 -3.289 -15.468 13.999 180 HE2 LYS 26 2HE LYS 26 -4.138 -18.024 15.276 181 HE3 LYS 26 3HE LYS 26 -3.601 -18.051 13.597 182 HZ1 LYS 26 1HZ LYS 26 -1.487 -17.357 14.175 183 HZ2 LYS 26 2HZ LYS 26 -1.879 -18.403 15.445 184 HZ3 LYS 26 3HZ LYS 26 -1.972 -16.728 15.669 185 H SER 27 H SER 27 -6.854 -14.048 19.216 186 HA SER 27 HA SER 27 -7.375 -11.479 18.163 187 HB2 SER 27 2HB SER 27 -7.762 -12.374 20.560 188 HB3 SER 27 3HB SER 27 -6.076 -11.938 20.839 189 HG SER 27 HG SER 27 -7.538 -10.247 21.387 190 H LYS 28 H LYS 28 -5.878 -10.936 16.600 191 HA LYS 28 HA LYS 28 -3.470 -9.731 17.528 192 HB2 LYS 28 2HB LYS 28 -3.088 -12.352 17.166 193 HB3 LYS 28 3HB LYS 28 -2.867 -11.824 15.503 194 HG2 LYS 28 2HG LYS 28 -1.399 -10.423 17.686 195 HG3 LYS 28 3HG LYS 28 -0.833 -11.997 17.123 196 HD2 LYS 28 2HD LYS 28 -0.540 -11.189 14.904 197 HD3 LYS 28 3HD LYS 28 -1.382 -9.682 15.275 198 HE2 LYS 28 2HE LYS 28 0.744 -8.917 15.463 199 HE3 LYS 28 3HE LYS 28 0.558 -9.536 17.103 200 HZ1 LYS 28 1HZ LYS 28 2.047 -10.696 14.844 201 HZ2 LYS 28 2HZ LYS 28 1.473 -11.703 16.074 202 HZ3 LYS 28 3HZ LYS 28 2.548 -10.451 16.441 203 H LYS 29 H LYS 29 -3.854 -7.874 16.477 204 HA LYS 29 HA LYS 29 -4.506 -7.990 13.612 205 HB2 LYS 29 2HB LYS 29 -5.158 -5.581 13.928 206 HB3 LYS 29 3HB LYS 29 -6.143 -6.738 14.812 207 HG2 LYS 29 2HG LYS 29 -3.922 -5.858 16.418 208 HG3 LYS 29 3HG LYS 29 -4.858 -4.484 15.825 209 HD2 LYS 29 2HD LYS 29 -6.750 -5.109 16.958 210 HD3 LYS 29 3HD LYS 29 -6.326 -6.822 16.939 211 HE2 LYS 29 2HE LYS 29 -4.331 -5.905 18.463 212 HE3 LYS 29 3HE LYS 29 -5.546 -4.684 18.834 213 HZ1 LYS 29 1HZ LYS 29 -7.031 -6.809 19.137 214 HZ2 LYS 29 2HZ LYS 29 -6.052 -6.240 20.392 215 HZ3 LYS 29 3HZ LYS 29 -5.540 -7.545 19.447 216 H PHE 30 H PHE 30 -3.476 -6.440 12.186 217 HA PHE 30 HA PHE 30 -0.680 -5.999 12.949 218 HB2 PHE 30 2HB PHE 30 -0.155 -5.974 10.626 219 HB3 PHE 30 3HB PHE 30 -1.267 -7.317 10.869 220 HD1 PHE 30 HD1 PHE 30 -3.483 -7.281 9.944 221 HD2 PHE 30 HD2 PHE 30 -0.864 -3.961 9.459 222 HE1 PHE 30 HE1 PHE 30 -4.966 -6.370 8.206 223 HE2 PHE 30 HE2 PHE 30 -2.343 -3.044 7.720 224 HZ PHE 30 HZ PHE 30 -4.398 -4.248 7.093 225 H GLY 31 H GLY 31 0.207 -4.013 13.079 226 HA2 GLY 31 2HA GLY 31 -1.576 -1.728 12.513 227 HA3 GLY 31 3HA GLY 31 -0.350 -1.743 13.772 228 H GLU 32 H GLU 32 0.210 0.327 12.669 229 HA GLU 32 HA GLU 32 1.184 0.561 10.100 230 HB2 GLU 32 2HB GLU 32 2.281 2.538 10.796 231 HB3 GLU 32 3HB GLU 32 0.859 2.397 11.820 232 HG2 GLU 32 2HG GLU 32 2.340 1.354 13.558 233 HG3 GLU 32 3HG GLU 32 3.712 1.802 12.546 234 H GLY 33 H GLY 33 2.721 -0.825 12.924 235 HA2 GLY 33 2HA GLY 33 5.365 -0.912 11.918 236 HA3 GLY 33 3HA GLY 33 4.721 -1.918 13.208 237 H ASN 34 H ASN 34 2.971 -3.546 12.180 238 HA ASN 34 HA ASN 34 4.459 -5.429 10.742 239 HB2 ASN 34 2HB ASN 34 1.529 -5.145 11.355 240 HB3 ASN 34 3HB ASN 34 2.107 -6.453 10.326 241 HD21 ASN 34 1HD2 ASN 34 0.881 -7.268 12.471 242 HD22 ASN 34 2HD2 ASN 34 1.972 -7.828 13.687 243 H PHE 35 H PHE 35 2.334 -2.868 9.684 244 HA PHE 35 HA PHE 35 1.884 -3.725 7.048 245 HB2 PHE 35 2HB PHE 35 0.537 -1.953 7.916 246 HB3 PHE 35 3HB PHE 35 1.953 -0.971 8.281 247 HD1 PHE 35 HD1 PHE 35 1.052 -2.834 5.189 248 HD2 PHE 35 HD2 PHE 35 1.743 0.949 7.013 249 HE1 PHE 35 HE1 PHE 35 0.856 -1.743 2.993 250 HE2 PHE 35 HE2 PHE 35 1.546 2.046 4.820 251 HZ PHE 35 HZ PHE 35 1.101 0.701 2.807 252 H ARG 36 H ARG 36 4.295 -1.418 8.303 253 HA ARG 36 HA ARG 36 5.631 -0.956 5.902 254 HB2 ARG 36 2HB ARG 36 6.931 -1.012 8.627 255 HB3 ARG 36 3HB ARG 36 7.434 -0.082 7.221 256 HG2 ARG 36 2HG ARG 36 4.747 0.609 7.809 257 HG3 ARG 36 3HG ARG 36 5.675 0.671 9.309 258 HD2 ARG 36 2HD ARG 36 5.922 2.810 8.419 259 HD3 ARG 36 3HD ARG 36 7.408 1.987 7.948 260 HE ARG 36 HE ARG 36 5.805 1.582 5.819 261 HH11 ARG 36 1HH1 ARG 36 6.676 4.434 7.615 262 HH12 ARG 36 2HH1 ARG 36 6.527 5.496 6.253 263 HH21 ARG 36 1HH2 ARG 36 5.606 2.969 4.020 264 HH22 ARG 36 2HH2 ARG 36 5.917 4.661 4.209 265 H TRP 37 H TRP 37 6.183 -3.429 8.375 266 HA TRP 37 HA TRP 37 8.513 -4.545 7.304 267 HB2 TRP 37 2HB TRP 37 7.845 -5.149 9.522 268 HB3 TRP 37 3HB TRP 37 6.298 -5.768 8.953 269 HD1 TRP 37 HD1 TRP 37 9.889 -6.779 9.498 270 HE1 TRP 37 HE1 TRP 37 10.173 -9.271 8.924 271 HE3 TRP 37 HE3 TRP 37 5.353 -7.628 7.297 272 HZ2 TRP 37 HZ2 TRP 37 8.674 -11.325 7.699 273 HZ3 TRP 37 HZ3 TRP 37 4.858 -9.884 6.451 274 HH2 TRP 37 HH2 TRP 37 6.485 -11.693 6.647 275 H ALA 38 H ALA 38 5.126 -5.083 6.534 276 HA ALA 38 HA ALA 38 5.546 -7.352 4.867 277 HB1 ALA 38 1HB ALA 38 3.262 -5.432 5.202 278 HB2 ALA 38 2HB ALA 38 3.228 -6.727 4.005 279 HB3 ALA 38 3HB ALA 38 3.374 -7.115 5.719 280 H ILE 39 H ILE 39 4.687 -3.987 4.030 281 HA ILE 39 HA ILE 39 5.040 -4.230 1.278 282 HB ILE 39 HB ILE 39 3.917 -2.306 2.216 283 HG12 ILE 39 2HG1 ILE 39 6.464 -1.413 0.850 284 HG13 ILE 39 3HG1 ILE 39 5.072 -2.096 0.014 285 HG21 ILE 39 1HG2 ILE 39 5.390 -2.182 4.248 286 HG22 ILE 39 2HG2 ILE 39 6.577 -1.347 3.247 287 HG23 ILE 39 3HG2 ILE 39 4.989 -0.629 3.516 288 HD11 ILE 39 1HD1 ILE 39 4.255 -0.054 -0.172 289 HD12 ILE 39 2HD1 ILE 39 4.086 0.006 1.583 290 HD13 ILE 39 3HD1 ILE 39 5.559 0.600 0.817 291 H ARG 40 H ARG 40 7.362 -3.436 3.814 292 HA ARG 40 HA ARG 40 9.509 -2.679 2.186 293 HB2 ARG 40 2HB ARG 40 9.297 -3.803 4.957 294 HB3 ARG 40 3HB ARG 40 10.877 -3.596 4.214 295 HG2 ARG 40 2HG ARG 40 9.082 -1.264 4.088 296 HG3 ARG 40 3HG ARG 40 9.664 -1.716 5.692 297 HD2 ARG 40 2HD ARG 40 11.905 -1.885 4.052 298 HD3 ARG 40 3HD ARG 40 11.063 -0.434 3.508 299 HE ARG 40 HE ARG 40 12.499 -0.755 5.937 300 HH11 ARG 40 1HH1 ARG 40 9.716 0.806 4.547 301 HH12 ARG 40 2HH1 ARG 40 9.717 2.112 5.686 302 HH21 ARG 40 1HH2 ARG 40 12.512 0.958 7.442 303 HH22 ARG 40 2HH2 ARG 40 11.309 2.198 7.332 304 H MET 41 H MET 41 8.749 -5.863 3.594 305 HA MET 41 HA MET 41 10.892 -7.220 2.349 306 HB2 MET 41 2HB MET 41 9.449 -7.958 4.349 307 HB3 MET 41 3HB MET 41 8.301 -8.527 3.144 308 HG2 MET 41 2HG MET 41 9.726 -10.177 2.373 309 HG3 MET 41 3HG MET 41 11.158 -9.382 3.023 310 HE1 MET 41 1HE MET 41 12.240 -9.809 4.836 311 HE2 MET 41 2HE MET 41 11.797 -10.746 6.262 312 HE3 MET 41 3HE MET 41 12.204 -11.570 4.756 313 H ALA 42 H ALA 42 7.519 -6.707 1.431 314 HA ALA 42 HA ALA 42 7.459 -8.410 -0.799 315 HB1 ALA 42 1HB ALA 42 5.760 -6.400 0.369 316 HB2 ALA 42 2HB ALA 42 5.758 -6.278 -1.390 317 HB3 ALA 42 3HB ALA 42 5.331 -7.801 -0.612 318 H ASN 43 H ASN 43 8.454 -5.042 -0.451 319 HA ASN 43 HA ASN 43 8.749 -4.480 -3.201 320 HB2 ASN 43 2HB ASN 43 10.073 -3.254 -0.774 321 HB3 ASN 43 3HB ASN 43 10.216 -2.606 -2.406 322 HD21 ASN 43 1HD2 ASN 43 9.238 -1.025 -0.456 323 HD22 ASN 43 2HD2 ASN 43 7.544 -0.768 -0.678 324 H VAL 44 H VAL 44 11.195 -5.307 -0.740 325 HA VAL 44 HA VAL 44 13.367 -5.477 -2.510 326 HB VAL 44 HB VAL 44 13.729 -5.308 -0.121 327 HG11 VAL 44 1HG1 VAL 44 11.757 -6.632 0.569 328 HG12 VAL 44 2HG1 VAL 44 12.613 -8.102 0.099 329 HG13 VAL 44 3HG1 VAL 44 13.231 -7.102 1.415 330 HG21 VAL 44 1HG2 VAL 44 14.753 -7.993 -1.020 331 HG22 VAL 44 2HG2 VAL 44 15.405 -6.460 -1.600 332 HG23 VAL 44 3HG2 VAL 44 15.508 -6.872 0.112 333 H SER 45 H SER 45 11.013 -7.879 -1.451 334 HA SER 45 HA SER 45 12.217 -10.184 -2.437 335 HB2 SER 45 2HB SER 45 9.425 -9.364 -1.823 336 HB3 SER 45 3HB SER 45 9.638 -10.806 -2.818 337 HG SER 45 HG SER 45 9.705 -10.791 -0.279 338 H THR 46 H THR 46 10.654 -7.589 -4.111 339 HA THR 46 HA THR 46 10.654 -9.114 -6.619 340 HB THR 46 HB THR 46 9.397 -7.101 -7.516 341 HG1 THR 46 HG1 THR 46 8.895 -5.514 -6.177 342 HG21 THR 46 1HG2 THR 46 7.458 -8.158 -7.052 343 HG22 THR 46 2HG2 THR 46 7.719 -8.085 -5.309 344 HG23 THR 46 3HG2 THR 46 8.500 -9.343 -6.266 345 H GLY 47 H GLY 47 12.371 -6.700 -4.916 346 HA2 GLY 47 2HA GLY 47 14.388 -5.710 -5.478 347 HA3 GLY 47 3HA GLY 47 14.272 -6.453 -7.065 348 H ARG 48 H ARG 48 11.795 -4.414 -5.630 349 HA ARG 48 HA ARG 48 12.069 -2.586 -7.888 350 HB2 ARG 48 2HB ARG 48 9.851 -3.644 -6.981 351 HB3 ARG 48 3HB ARG 48 9.939 -2.349 -5.795 352 HG2 ARG 48 2HG ARG 48 9.204 -0.845 -7.253 353 HG3 ARG 48 3HG ARG 48 10.360 -1.365 -8.481 354 HD2 ARG 48 2HD ARG 48 8.720 -3.404 -8.700 355 HD3 ARG 48 3HD ARG 48 7.565 -2.280 -7.986 356 HE ARG 48 HE ARG 48 8.605 -2.224 -10.653 357 HH11 ARG 48 1HH1 ARG 48 7.307 -0.278 -8.075 358 HH12 ARG 48 2HH1 ARG 48 6.735 0.972 -9.129 359 HH21 ARG 48 1HH2 ARG 48 7.858 -0.585 -12.052 360 HH22 ARG 48 2HH2 ARG 48 7.049 0.796 -11.393 361 H GLU 49 H GLU 49 14.182 -2.321 -6.206 362 HA GLU 49 HA GLU 49 15.397 -0.764 -5.078 363 HB2 GLU 49 2HB GLU 49 13.300 0.761 -6.423 364 HB3 GLU 49 3HB GLU 49 13.900 1.554 -4.974 365 HG2 GLU 49 2HG GLU 49 15.607 2.308 -6.153 366 HG3 GLU 49 3HG GLU 49 16.168 0.647 -6.339 367 HA PRO 50 HA PRO 50 14.070 -0.737 -0.898 368 HB2 PRO 50 2HB PRO 50 15.347 1.438 0.108 369 HB3 PRO 50 3HB PRO 50 16.189 -0.053 -0.328 370 HG2 PRO 50 2HG PRO 50 15.925 2.495 -1.877 371 HG3 PRO 50 3HG PRO 50 17.352 1.470 -1.646 372 HD2 PRO 50 2HD PRO 50 15.859 1.401 -3.903 373 HD3 PRO 50 3HD PRO 50 16.691 -0.032 -3.265 374 H GLY 51 H GLY 51 14.015 2.573 -2.247 375 HA2 GLY 51 2HA GLY 51 11.811 3.310 -0.515 376 HA3 GLY 51 3HA GLY 51 12.608 4.344 -1.692 377 H ASP 52 H ASP 52 10.411 1.563 -1.454 378 HA ASP 52 HA ASP 52 9.109 2.502 -3.926 379 HB2 ASP 52 2HB ASP 52 9.980 0.330 -4.343 380 HB3 ASP 52 3HB ASP 52 9.413 -0.274 -2.789 381 H ILE 53 H ILE 53 7.674 3.915 -2.932 382 HA ILE 53 HA ILE 53 5.700 2.675 -1.130 383 HB ILE 53 HB ILE 53 6.244 5.629 -1.406 384 HG12 ILE 53 2HG1 ILE 53 7.248 3.711 0.709 385 HG13 ILE 53 3HG1 ILE 53 8.236 4.459 -0.541 386 HG21 ILE 53 1HG2 ILE 53 4.514 5.930 -0.043 387 HG22 ILE 53 2HG2 ILE 53 4.122 4.226 -0.272 388 HG23 ILE 53 3HG2 ILE 53 5.122 4.724 1.092 389 HD11 ILE 53 1HD1 ILE 53 8.681 5.953 1.064 390 HD12 ILE 53 2HD1 ILE 53 7.124 6.640 0.599 391 HD13 ILE 53 3HD1 ILE 53 7.231 5.553 1.983 392 HA PRO 54 HA PRO 54 3.531 3.568 -5.139 393 HB2 PRO 54 2HB PRO 54 2.203 1.201 -5.214 394 HB3 PRO 54 3HB PRO 54 3.832 1.409 -5.867 395 HG2 PRO 54 2HG PRO 54 2.977 0.264 -3.237 396 HG3 PRO 54 3HG PRO 54 4.217 -0.321 -4.363 397 HD2 PRO 54 2HD PRO 54 4.824 1.095 -2.136 398 HD3 PRO 54 3HD PRO 54 5.783 1.199 -3.627 399 H GLU 55 H GLU 55 1.848 4.879 -4.844 400 HA GLU 55 HA GLU 55 -0.131 4.204 -2.774 401 HB2 GLU 55 2HB GLU 55 0.207 6.897 -4.084 402 HB3 GLU 55 3HB GLU 55 -0.648 6.515 -2.596 403 HG2 GLU 55 2HG GLU 55 1.210 7.287 -1.620 404 HG3 GLU 55 3HG GLU 55 1.830 5.672 -1.957 405 H THR 56 H THR 56 -0.496 2.732 -4.949 406 HA THR 56 HA THR 56 -2.958 3.821 -6.063 407 HB THR 56 HB THR 56 -2.410 3.331 -8.354 408 HG1 THR 56 HG1 THR 56 -0.740 2.125 -8.885 409 HG21 THR 56 1HG2 THR 56 -1.750 5.543 -7.549 410 HG22 THR 56 2HG2 THR 56 -0.622 4.960 -8.773 411 HG23 THR 56 3HG2 THR 56 -0.177 4.907 -7.068 412 H LEU 57 H LEU 57 -4.512 2.323 -6.127 413 HA LEU 57 HA LEU 57 -4.260 -0.197 -5.032 414 HB2 LEU 57 2HB LEU 57 -6.386 1.004 -5.381 415 HB3 LEU 57 3HB LEU 57 -6.269 0.669 -7.107 416 HG LEU 57 HG LEU 57 -6.101 -1.832 -5.904 417 HD11 LEU 57 1HD1 LEU 57 -8.137 -0.108 -4.509 418 HD12 LEU 57 2HD1 LEU 57 -6.810 -1.010 -3.777 419 HD13 LEU 57 3HD1 LEU 57 -8.163 -1.871 -4.509 420 HD21 LEU 57 1HD2 LEU 57 -8.081 -0.286 -7.470 421 HD22 LEU 57 2HD2 LEU 57 -8.651 -1.760 -6.687 422 HD23 LEU 57 3HD2 LEU 57 -7.306 -1.830 -7.826 423 H ASP 58 H ASP 58 -3.691 0.846 -8.309 424 HA ASP 58 HA ASP 58 -3.705 -1.723 -9.518 425 HB2 ASP 58 2HB ASP 58 -3.953 0.341 -10.826 426 HB3 ASP 58 3HB ASP 58 -2.312 0.815 -10.396 427 H GLN 59 H GLN 59 -1.145 0.311 -8.160 428 HA GLN 59 HA GLN 59 1.014 -1.357 -8.866 429 HB2 GLN 59 2HB GLN 59 0.607 0.825 -6.860 430 HB3 GLN 59 3HB GLN 59 2.069 -0.149 -6.784 431 HG2 GLN 59 2HG GLN 59 2.587 0.461 -9.097 432 HG3 GLN 59 3HG GLN 59 1.133 1.456 -9.152 433 HE21 GLN 59 1HE2 GLN 59 1.010 3.094 -7.322 434 HE22 GLN 59 2HE2 GLN 59 2.463 3.963 -6.980 435 H LEU 60 H LEU 60 -0.999 -1.189 -5.959 436 HA LEU 60 HA LEU 60 0.401 -3.051 -4.408 437 HB2 LEU 60 2HB LEU 60 -2.538 -2.388 -4.442 438 HB3 LEU 60 3HB LEU 60 -1.740 -3.337 -3.189 439 HG LEU 60 HG LEU 60 -0.520 -0.716 -3.623 440 HD11 LEU 60 1HD1 LEU 60 -3.412 -0.920 -3.373 441 HD12 LEU 60 2HD1 LEU 60 -2.403 0.467 -3.777 442 HD13 LEU 60 3HD1 LEU 60 -2.671 0.034 -2.089 443 HD21 LEU 60 1HD2 LEU 60 0.073 -1.062 -1.508 444 HD22 LEU 60 2HD2 LEU 60 -0.689 -2.649 -1.628 445 HD23 LEU 60 3HD2 LEU 60 -1.605 -1.275 -1.005 446 H ARG 61 H ARG 61 -2.376 -3.517 -6.582 447 HA ARG 61 HA ARG 61 -2.683 -6.266 -6.204 448 HB2 ARG 61 2HB ARG 61 -4.400 -5.032 -7.326 449 HB3 ARG 61 3HB ARG 61 -3.285 -4.511 -8.583 450 HG2 ARG 61 2HG ARG 61 -3.506 -7.413 -8.338 451 HG3 ARG 61 3HG ARG 61 -5.016 -6.609 -8.771 452 HD2 ARG 61 2HD ARG 61 -3.745 -5.408 -10.571 453 HD3 ARG 61 3HD ARG 61 -2.373 -6.453 -10.206 454 HE ARG 61 HE ARG 61 -4.524 -8.125 -10.656 455 HH11 ARG 61 1HH1 ARG 61 -2.733 -5.730 -12.438 456 HH12 ARG 61 2HH1 ARG 61 -3.013 -6.476 -13.977 457 HH21 ARG 61 1HH2 ARG 61 -4.900 -9.116 -12.676 458 HH22 ARG 61 2HH2 ARG 61 -4.247 -8.401 -14.111 459 H LEU 62 H LEU 62 -0.592 -4.461 -8.398 460 HA LEU 62 HA LEU 62 0.330 -6.696 -9.874 461 HB2 LEU 62 2HB LEU 62 0.626 -3.955 -10.012 462 HB3 LEU 62 3HB LEU 62 2.247 -4.521 -9.615 463 HG LEU 62 HG LEU 62 1.803 -6.163 -11.628 464 HD11 LEU 62 1HD1 LEU 62 -0.496 -4.510 -11.704 465 HD12 LEU 62 2HD1 LEU 62 -0.020 -5.784 -12.826 466 HD13 LEU 62 3HD1 LEU 62 0.498 -4.122 -13.108 467 HD21 LEU 62 1HD2 LEU 62 3.544 -4.365 -11.387 468 HD22 LEU 62 2HD2 LEU 62 2.407 -3.264 -12.165 469 HD23 LEU 62 3HD2 LEU 62 3.003 -4.677 -13.036 470 H VAL 63 H VAL 63 1.713 -4.913 -7.126 471 HA VAL 63 HA VAL 63 4.094 -6.290 -6.842 472 HB VAL 63 HB VAL 63 2.342 -5.212 -4.629 473 HG11 VAL 63 1HG1 VAL 63 5.166 -6.203 -4.689 474 HG12 VAL 63 2HG1 VAL 63 4.671 -4.968 -3.529 475 HG13 VAL 63 3HG1 VAL 63 3.886 -6.548 -3.526 476 HG21 VAL 63 1HG2 VAL 63 4.583 -3.567 -5.172 477 HG22 VAL 63 2HG2 VAL 63 3.781 -3.901 -6.705 478 HG23 VAL 63 3HG2 VAL 63 2.873 -3.188 -5.373 479 H ILE 64 H ILE 64 0.877 -7.146 -5.658 480 HA ILE 64 HA ILE 64 1.646 -9.365 -4.102 481 HB ILE 64 HB ILE 64 -0.980 -8.871 -5.511 482 HG12 ILE 64 2HG1 ILE 64 -0.411 -8.420 -2.594 483 HG13 ILE 64 3HG1 ILE 64 -0.058 -7.170 -3.782 484 HG21 ILE 64 1HG2 ILE 64 -1.490 -10.343 -3.245 485 HG22 ILE 64 2HG2 ILE 64 -1.441 -10.965 -4.893 486 HG23 ILE 64 3HG2 ILE 64 -0.009 -11.068 -3.870 487 HD11 ILE 64 1HD1 ILE 64 -2.253 -6.740 -4.183 488 HD12 ILE 64 2HD1 ILE 64 -2.762 -8.385 -3.799 489 HD13 ILE 64 3HD1 ILE 64 -2.353 -7.264 -2.501 490 H CYS 65 H CYS 65 0.248 -9.263 -7.385 491 HA CYS 65 HA CYS 65 0.373 -11.955 -7.975 492 HB2 CYS 65 2HB CYS 65 -0.712 -10.240 -9.400 493 HB3 CYS 65 3HB CYS 65 0.879 -9.678 -9.901 494 HG CYS 65 HG CYS 65 -0.404 -12.786 -10.540 495 H ASP 66 H ASP 66 2.918 -9.530 -8.160 496 HA ASP 66 HA ASP 66 4.828 -11.131 -9.495 497 HB2 ASP 66 2HB ASP 66 5.373 -8.861 -7.573 498 HB3 ASP 66 3HB ASP 66 6.447 -9.465 -8.832 499 H LEU 67 H LEU 67 4.499 -10.308 -6.040 500 HA LEU 67 HA LEU 67 6.566 -11.909 -5.088 501 HB2 LEU 67 2HB LEU 67 4.142 -10.672 -3.944 502 HB3 LEU 67 3HB LEU 67 4.846 -11.999 -3.021 503 HG LEU 67 HG LEU 67 7.017 -10.386 -3.589 504 HD11 LEU 67 1HD1 LEU 67 5.636 -8.592 -4.399 505 HD12 LEU 67 2HD1 LEU 67 6.293 -8.146 -2.824 506 HD13 LEU 67 3HD1 LEU 67 4.616 -8.676 -2.962 507 HD21 LEU 67 1HD2 LEU 67 5.535 -9.909 -1.070 508 HD22 LEU 67 2HD2 LEU 67 7.230 -10.324 -1.331 509 HD23 LEU 67 3HD2 LEU 67 5.988 -11.574 -1.436 510 H GLN 68 H GLN 68 3.126 -12.685 -5.505 511 HA GLN 68 HA GLN 68 3.199 -15.280 -4.467 512 HB2 GLN 68 2HB GLN 68 1.381 -13.716 -6.176 513 HB3 GLN 68 3HB GLN 68 1.273 -15.459 -6.390 514 HG2 GLN 68 2HG GLN 68 1.312 -15.102 -3.640 515 HG3 GLN 68 3HG GLN 68 0.297 -13.794 -4.244 516 HE21 GLN 68 1HE2 GLN 68 -1.172 -14.669 -6.143 517 HE22 GLN 68 2HE2 GLN 68 -2.076 -16.082 -5.729 518 H GLU 69 H GLU 69 3.790 -14.089 -7.745 519 HA GLU 69 HA GLU 69 3.984 -16.535 -9.063 520 HB2 GLU 69 2HB GLU 69 4.805 -13.774 -9.572 521 HB3 GLU 69 3HB GLU 69 5.860 -14.960 -10.328 522 HG2 GLU 69 2HG GLU 69 3.658 -16.022 -11.171 523 HG3 GLU 69 3HG GLU 69 2.956 -14.449 -10.794 524 H ARG 70 H ARG 70 6.513 -14.638 -7.444 525 HA ARG 70 HA ARG 70 8.603 -16.479 -7.996 526 HB2 ARG 70 2HB ARG 70 8.259 -14.026 -6.408 527 HB3 ARG 70 3HB ARG 70 9.459 -15.143 -5.772 528 HG2 ARG 70 2HG ARG 70 9.523 -14.438 -8.666 529 HG3 ARG 70 3HG ARG 70 10.134 -13.286 -7.476 530 HD2 ARG 70 2HD ARG 70 11.242 -15.692 -6.690 531 HD3 ARG 70 3HD ARG 70 11.302 -15.764 -8.450 532 HE ARG 70 HE ARG 70 12.908 -14.140 -6.758 533 HH11 ARG 70 1HH1 ARG 70 11.339 -14.217 -9.865 534 HH12 ARG 70 2HH1 ARG 70 12.450 -13.109 -10.600 535 HH21 ARG 70 1HH2 ARG 70 14.378 -12.680 -7.714 536 HH22 ARG 70 2HH2 ARG 70 14.179 -12.236 -9.374 537 H ARG 71 H ARG 71 6.836 -15.772 -4.977 538 HA ARG 71 HA ARG 71 7.949 -17.771 -3.408 539 HB2 ARG 71 2HB ARG 71 6.503 -15.950 -2.558 540 HB3 ARG 71 3HB ARG 71 5.111 -16.738 -3.288 541 HG2 ARG 71 2HG ARG 71 5.279 -17.160 -0.878 542 HG3 ARG 71 3HG ARG 71 5.376 -18.643 -1.830 543 HD2 ARG 71 2HD ARG 71 7.959 -17.368 -1.276 544 HD3 ARG 71 3HD ARG 71 7.104 -17.947 0.154 545 HE ARG 71 HE ARG 71 7.035 -19.987 -1.730 546 HH11 ARG 71 1HH1 ARG 71 9.410 -18.242 0.122 547 HH12 ARG 71 2HH1 ARG 71 10.525 -19.567 0.185 548 HH21 ARG 71 1HH2 ARG 71 8.494 -21.739 -1.655 549 HH22 ARG 71 2HH2 ARG 71 10.003 -21.555 -0.828 550 H GLU 72 H GLU 72 5.562 -17.984 -5.916 551 HA GLU 72 HA GLU 72 4.524 -20.539 -5.188 552 HB2 GLU 72 2HB GLU 72 3.232 -19.026 -6.591 553 HB3 GLU 72 3HB GLU 72 4.482 -19.066 -7.826 554 HG2 GLU 72 2HG GLU 72 4.050 -21.411 -8.233 555 HG3 GLU 72 3HG GLU 72 2.857 -21.438 -6.935 556 H LYS 73 H LYS 73 6.730 -19.512 -7.794 557 HA LYS 73 HA LYS 73 7.384 -22.009 -8.785 558 HB2 LYS 73 2HB LYS 73 8.458 -19.327 -8.951 559 HB3 LYS 73 3HB LYS 73 9.754 -20.516 -8.922 560 HG2 LYS 73 2HG LYS 73 9.225 -21.348 -10.953 561 HG3 LYS 73 3HG LYS 73 7.494 -21.085 -10.733 562 HD2 LYS 73 2HD LYS 73 8.663 -18.535 -10.788 563 HD3 LYS 73 3HD LYS 73 9.429 -19.448 -12.089 564 HE2 LYS 73 2HE LYS 73 6.808 -20.143 -12.384 565 HE3 LYS 73 3HE LYS 73 6.676 -18.475 -11.828 566 HZ1 LYS 73 1HZ LYS 73 6.796 -18.606 -14.238 567 HZ2 LYS 73 2HZ LYS 73 8.288 -19.396 -14.147 568 HZ3 LYS 73 3HZ LYS 73 8.144 -17.795 -13.618 569 H PHE 74 H PHE 74 8.604 -20.352 -5.946 570 HA PHE 74 HA PHE 74 10.635 -22.367 -5.467 571 HB2 PHE 74 2HB PHE 74 9.847 -19.788 -4.183 572 HB3 PHE 74 3HB PHE 74 10.752 -20.958 -3.229 573 HD1 PHE 74 HD1 PHE 74 10.891 -19.579 -6.698 574 HD2 PHE 74 HD2 PHE 74 13.006 -20.592 -3.146 575 HE1 PHE 74 HE1 PHE 74 12.983 -18.785 -7.721 576 HE2 PHE 74 HE2 PHE 74 15.101 -19.799 -4.163 577 HZ PHE 74 HZ PHE 74 15.092 -18.894 -6.453 578 H GLY 75 H GLY 75 7.387 -21.646 -4.491 579 HA2 GLY 75 2HA GLY 75 6.358 -23.866 -3.669 580 HA3 GLY 75 3HA GLY 75 7.526 -23.680 -2.369 581 H SER 76 H SER 76 7.029 -22.424 -0.656 582 HA SER 76 HA SER 76 5.165 -20.294 -0.717 583 HB2 SER 76 2HB SER 76 3.235 -21.198 0.187 584 HB3 SER 76 3HB SER 76 3.762 -22.523 -0.851 585 HG SER 76 HG SER 76 3.901 -22.285 1.947 586 H SER 77 H SER 77 5.121 -19.137 1.211 587 HA SER 77 HA SER 77 6.462 -20.231 3.549 588 HB2 SER 77 2HB SER 77 8.355 -18.998 3.459 589 HB3 SER 77 3HB SER 77 7.989 -18.838 1.742 590 HG SER 77 HG SER 77 8.308 -16.874 3.284 591 H LYS 78 H LYS 78 5.528 -19.536 5.364 592 HA LYS 78 HA LYS 78 3.221 -17.970 5.361 593 HB2 LYS 78 2HB LYS 78 4.835 -19.346 7.302 594 HB3 LYS 78 3HB LYS 78 4.357 -17.778 7.938 595 HG2 LYS 78 2HG LYS 78 2.530 -18.900 8.599 596 HG3 LYS 78 3HG LYS 78 2.002 -18.619 6.938 597 HD2 LYS 78 2HD LYS 78 3.088 -20.828 6.357 598 HD3 LYS 78 3HD LYS 78 3.257 -21.103 8.092 599 HE2 LYS 78 2HE LYS 78 0.704 -20.722 6.536 600 HE3 LYS 78 3HE LYS 78 1.258 -22.192 7.337 601 HZ1 LYS 78 1HZ LYS 78 -0.151 -19.956 8.423 602 HZ2 LYS 78 2HZ LYS 78 1.243 -20.309 9.313 603 HZ3 LYS 78 3HZ LYS 78 0.071 -21.505 9.069 604 H GLU 79 H GLU 79 6.578 -17.099 6.024 605 HA GLU 79 HA GLU 79 6.191 -14.514 6.981 606 HB2 GLU 79 2HB GLU 79 8.422 -15.940 5.622 607 HB3 GLU 79 3HB GLU 79 8.515 -14.187 5.711 608 HG2 GLU 79 2HG GLU 79 7.986 -14.576 8.237 609 HG3 GLU 79 3HG GLU 79 8.582 -16.201 7.903 610 H ILE 80 H ILE 80 7.065 -15.415 3.639 611 HA ILE 80 HA ILE 80 6.636 -12.873 2.540 612 HB ILE 80 HB ILE 80 6.438 -15.553 1.161 613 HG12 ILE 80 2HG1 ILE 80 8.776 -13.648 1.411 614 HG13 ILE 80 3HG1 ILE 80 8.599 -15.153 2.305 615 HG21 ILE 80 1HG2 ILE 80 7.371 -13.565 -0.589 616 HG22 ILE 80 2HG2 ILE 80 5.830 -14.420 -0.646 617 HG23 ILE 80 3HG2 ILE 80 5.959 -12.891 0.223 618 HD11 ILE 80 1HD1 ILE 80 9.386 -16.350 0.612 619 HD12 ILE 80 2HD1 ILE 80 8.337 -15.542 -0.553 620 HD13 ILE 80 3HD1 ILE 80 9.883 -14.818 -0.106 621 H ASP 81 H ASP 81 4.521 -15.741 2.514 622 HA ASP 81 HA ASP 81 2.364 -14.683 1.155 623 HB2 ASP 81 2HB ASP 81 2.480 -17.038 1.737 624 HB3 ASP 81 3HB ASP 81 2.359 -16.651 3.452 625 H MET 82 H MET 82 3.232 -14.330 4.550 626 HA MET 82 HA MET 82 0.849 -13.119 5.429 627 HB2 MET 82 2HB MET 82 3.635 -13.323 6.437 628 HB3 MET 82 3HB MET 82 2.635 -12.044 7.115 629 HG2 MET 82 2HG MET 82 1.060 -13.586 7.955 630 HG3 MET 82 3HG MET 82 1.747 -14.908 7.015 631 HE1 MET 82 1HE MET 82 3.104 -13.276 11.033 632 HE2 MET 82 2HE MET 82 3.364 -12.192 9.667 633 HE3 MET 82 3HE MET 82 1.738 -12.767 10.038 634 H ALA 83 H ALA 83 3.959 -11.624 4.520 635 HA ALA 83 HA ALA 83 3.247 -8.970 4.762 636 HB1 ALA 83 1HB ALA 83 5.054 -8.462 3.243 637 HB2 ALA 83 2HB ALA 83 5.531 -9.787 4.305 638 HB3 ALA 83 3HB ALA 83 5.055 -10.119 2.640 639 H ILE 84 H ILE 84 2.629 -11.190 2.095 640 HA ILE 84 HA ILE 84 1.707 -9.310 0.221 641 HB ILE 84 HB ILE 84 0.891 -12.202 0.530 642 HG12 ILE 84 2HG1 ILE 84 2.901 -11.101 -1.420 643 HG13 ILE 84 3HG1 ILE 84 3.379 -11.574 0.206 644 HG21 ILE 84 1HG2 ILE 84 0.427 -10.174 -1.622 645 HG22 ILE 84 2HG2 ILE 84 0.513 -11.892 -2.007 646 HG23 ILE 84 3HG2 ILE 84 -0.713 -11.300 -0.886 647 HD11 ILE 84 1HD1 ILE 84 1.949 -13.746 -0.679 648 HD12 ILE 84 2HD1 ILE 84 2.812 -13.207 -2.120 649 HD13 ILE 84 3HD1 ILE 84 3.706 -13.594 -0.651 650 H VAL 85 H VAL 85 -0.146 -11.404 2.435 651 HA VAL 85 HA VAL 85 -2.684 -10.444 1.832 652 HB VAL 85 HB VAL 85 -1.776 -11.353 4.565 653 HG11 VAL 85 1HG1 VAL 85 -4.042 -11.946 4.952 654 HG12 VAL 85 2HG1 VAL 85 -4.049 -10.297 4.322 655 HG13 VAL 85 3HG1 VAL 85 -4.478 -11.647 3.270 656 HG21 VAL 85 1HG2 VAL 85 -1.244 -13.286 3.586 657 HG22 VAL 85 2HG2 VAL 85 -2.971 -13.504 3.306 658 HG23 VAL 85 3HG2 VAL 85 -1.956 -12.794 2.049 659 H THR 86 H THR 86 -0.178 -9.080 3.836 660 HA THR 86 HA THR 86 -1.813 -7.207 5.220 661 HB THR 86 HB THR 86 1.164 -7.151 4.684 662 HG1 THR 86 HG1 THR 86 1.134 -8.666 6.156 663 HG21 THR 86 1HG2 THR 86 0.659 -4.949 5.262 664 HG22 THR 86 2HG2 THR 86 1.062 -5.684 6.813 665 HG23 THR 86 3HG2 THR 86 -0.626 -5.432 6.368 666 H LEU 87 H LEU 87 0.166 -7.036 2.288 667 HA LEU 87 HA LEU 87 -0.220 -4.269 1.829 668 HB2 LEU 87 2HB LEU 87 1.024 -6.507 0.491 669 HB3 LEU 87 3HB LEU 87 0.179 -5.469 -0.655 670 HG LEU 87 HG LEU 87 2.368 -4.630 1.245 671 HD11 LEU 87 1HD1 LEU 87 2.332 -4.829 -1.763 672 HD12 LEU 87 2HD1 LEU 87 3.129 -5.962 -0.673 673 HD13 LEU 87 3HD1 LEU 87 3.681 -4.290 -0.763 674 HD21 LEU 87 1HD2 LEU 87 1.694 -2.535 0.982 675 HD22 LEU 87 2HD2 LEU 87 0.299 -3.097 0.061 676 HD23 LEU 87 3HD2 LEU 87 1.806 -2.705 -0.769 677 H LYS 88 H LYS 88 -2.091 -7.108 1.082 678 HA LYS 88 HA LYS 88 -3.768 -5.910 -0.884 679 HB2 LYS 88 2HB LYS 88 -3.381 -8.476 0.137 680 HB3 LYS 88 3HB LYS 88 -5.028 -8.066 0.597 681 HG2 LYS 88 2HG LYS 88 -5.782 -8.188 -1.509 682 HG3 LYS 88 3HG LYS 88 -4.341 -7.418 -2.177 683 HD2 LYS 88 2HD LYS 88 -3.117 -9.486 -2.061 684 HD3 LYS 88 3HD LYS 88 -4.448 -10.273 -1.210 685 HE2 LYS 88 2HE LYS 88 -5.865 -10.060 -3.159 686 HE3 LYS 88 3HE LYS 88 -4.611 -9.154 -4.007 687 HZ1 LYS 88 1HZ LYS 88 -3.283 -11.371 -3.378 688 HZ2 LYS 88 2HZ LYS 88 -4.127 -11.174 -4.830 689 HZ3 LYS 88 3HZ LYS 88 -4.842 -12.010 -3.544 690 H VAL 89 H VAL 89 -4.427 -6.833 2.501 691 HA VAL 89 HA VAL 89 -6.922 -5.672 2.752 692 HB VAL 89 HB VAL 89 -6.080 -7.100 4.492 693 HG11 VAL 89 1HG1 VAL 89 -3.697 -6.378 4.250 694 HG12 VAL 89 2HG1 VAL 89 -4.094 -4.948 5.206 695 HG13 VAL 89 3HG1 VAL 89 -4.243 -6.556 5.917 696 HG21 VAL 89 1HG2 VAL 89 -7.344 -6.068 6.002 697 HG22 VAL 89 2HG2 VAL 89 -6.143 -4.796 6.221 698 HG23 VAL 89 3HG2 VAL 89 -7.353 -4.655 4.946 699 H PHE 90 H PHE 90 -3.739 -4.198 3.235 700 HA PHE 90 HA PHE 90 -4.693 -1.691 4.128 701 HB2 PHE 90 2HB PHE 90 -2.420 -2.230 4.589 702 HB3 PHE 90 3HB PHE 90 -2.080 -2.557 2.893 703 HD1 PHE 90 HD1 PHE 90 -1.743 -0.744 1.319 704 HD2 PHE 90 HD2 PHE 90 -2.494 0.021 5.438 705 HE1 PHE 90 HE1 PHE 90 -0.974 1.575 1.025 706 HE2 PHE 90 HE2 PHE 90 -1.727 2.341 5.151 707 HZ PHE 90 HZ PHE 90 -0.966 3.121 2.942 708 H ALA 91 H ALA 91 -3.981 -2.996 0.940 709 HA ALA 91 HA ALA 91 -4.094 -0.625 -0.541 710 HB1 ALA 91 1HB ALA 91 -4.749 -3.465 -1.298 711 HB2 ALA 91 2HB ALA 91 -4.712 -2.133 -2.455 712 HB3 ALA 91 3HB ALA 91 -3.247 -2.584 -1.582 713 H VAL 92 H VAL 92 -6.676 -2.982 0.153 714 HA VAL 92 HA VAL 92 -8.706 -1.400 -1.089 715 HB VAL 92 HB VAL 92 -8.950 -3.821 -0.942 716 HG11 VAL 92 1HG1 VAL 92 -7.800 -4.022 1.277 717 HG12 VAL 92 2HG1 VAL 92 -9.302 -3.483 2.031 718 HG13 VAL 92 3HG1 VAL 92 -9.267 -4.988 1.111 719 HG21 VAL 92 1HG2 VAL 92 -10.918 -1.904 -0.183 720 HG22 VAL 92 2HG2 VAL 92 -11.130 -3.417 -1.062 721 HG23 VAL 92 3HG2 VAL 92 -11.214 -3.402 0.698 722 H ALA 93 H ALA 93 -7.679 -1.968 2.250 723 HA ALA 93 HA ALA 93 -9.746 -0.436 3.452 724 HB1 ALA 93 1HB ALA 93 -7.035 -1.027 4.621 725 HB2 ALA 93 2HB ALA 93 -8.529 -0.666 5.487 726 HB3 ALA 93 3HB ALA 93 -8.368 -2.181 4.601 727 H GLY 94 H GLY 94 -7.044 0.463 1.649 728 HA2 GLY 94 2HA GLY 94 -6.980 3.136 2.898 729 HA3 GLY 94 3HA GLY 94 -5.659 2.435 1.975 730 H LEU 95 H LEU 95 -6.328 1.836 -0.356 731 HA LEU 95 HA LEU 95 -7.027 4.212 -1.684 732 HB2 LEU 95 2HB LEU 95 -6.821 1.361 -2.613 733 HB3 LEU 95 3HB LEU 95 -7.200 2.690 -3.706 734 HG LEU 95 HG LEU 95 -4.893 2.245 -3.957 735 HD11 LEU 95 1HD1 LEU 95 -5.806 4.696 -3.278 736 HD12 LEU 95 2HD1 LEU 95 -4.154 4.361 -3.796 737 HD13 LEU 95 3HD1 LEU 95 -4.532 4.476 -2.078 738 HD21 LEU 95 1HD2 LEU 95 -4.692 0.959 -1.818 739 HD22 LEU 95 2HD2 LEU 95 -4.536 2.501 -0.976 740 HD23 LEU 95 3HD2 LEU 95 -3.329 2.022 -2.172 741 H LEU 96 H LEU 96 -8.927 1.550 -0.530 742 HA LEU 96 HA LEU 96 -11.308 2.674 -1.852 743 HB2 LEU 96 2HB LEU 96 -10.370 0.075 -1.845 744 HB3 LEU 96 3HB LEU 96 -11.645 0.057 -0.630 745 HG LEU 96 HG LEU 96 -12.526 1.388 -3.038 746 HD11 LEU 96 1HD1 LEU 96 -12.414 -0.354 -4.608 747 HD12 LEU 96 2HD1 LEU 96 -11.841 -1.513 -3.408 748 HD13 LEU 96 3HD1 LEU 96 -10.781 -0.215 -3.957 749 HD21 LEU 96 1HD2 LEU 96 -14.364 -0.180 -2.827 750 HD22 LEU 96 2HD2 LEU 96 -13.968 0.508 -1.252 751 HD23 LEU 96 3HD2 LEU 96 -13.450 -1.130 -1.655 752 H ASN 97 H ASN 97 -9.735 2.805 0.979 753 HA ASN 97 HA ASN 97 -10.287 3.214 3.153 754 HB2 ASN 97 2HB ASN 97 -12.613 4.391 1.644 755 HB3 ASN 97 3HB ASN 97 -12.502 4.507 3.397 756 HD21 ASN 97 1HD2 ASN 97 -12.259 6.415 1.007 757 HD22 ASN 97 2HD2 ASN 97 -10.849 7.341 1.382 758 H MET 98 H MET 98 -11.016 0.599 2.076 759 HA MET 98 HA MET 98 -13.560 -0.195 3.026 760 HB2 MET 98 2HB MET 98 -12.281 -1.480 1.357 761 HB3 MET 98 3HB MET 98 -11.083 -1.870 2.583 762 HG2 MET 98 2HG MET 98 -12.566 -3.737 2.245 763 HG3 MET 98 3HG MET 98 -12.791 -3.070 3.861 764 HE1 MET 98 1HE MET 98 -16.329 -4.402 2.787 765 HE2 MET 98 2HE MET 98 -14.689 -5.048 2.867 766 HE3 MET 98 3HE MET 98 -15.356 -4.160 4.238 767 H THR 99 H THR 99 -14.098 -1.429 4.876 768 HA THR 99 HA THR 99 -12.236 -1.058 7.132 769 HB THR 99 HB THR 99 -14.217 -0.993 8.609 770 HG1 THR 99 HG1 THR 99 -15.761 -2.067 7.418 771 HG21 THR 99 1HG2 THR 99 -13.320 1.016 6.846 772 HG22 THR 99 2HG2 THR 99 -14.141 1.224 8.393 773 HG23 THR 99 3HG2 THR 99 -15.077 1.143 6.901 774 H VAL 100 H VAL 100 -11.727 -3.276 5.812 775 HA VAL 100 HA VAL 100 -13.219 -5.565 6.221 776 HB VAL 100 HB VAL 100 -11.060 -6.814 6.131 777 HG11 VAL 100 1HG1 VAL 100 -10.800 -6.475 3.873 778 HG12 VAL 100 2HG1 VAL 100 -12.379 -5.733 4.140 779 HG13 VAL 100 3HG1 VAL 100 -10.939 -4.722 4.010 780 HG21 VAL 100 1HG2 VAL 100 -9.307 -4.730 5.403 781 HG22 VAL 100 2HG2 VAL 100 -10.030 -4.274 6.945 782 HG23 VAL 100 3HG2 VAL 100 -9.187 -5.815 6.789 783 H SER 101 H SER 101 -12.455 -7.439 7.679 784 HA SER 101 HA SER 101 -12.197 -6.397 10.423 785 HB2 SER 101 2HB SER 101 -13.643 -8.823 9.353 786 HB3 SER 101 3HB SER 101 -13.312 -8.592 11.070 787 HG SER 101 HG SER 101 -14.805 -6.857 9.388 788 H THR 102 H THR 102 -11.032 -8.725 8.100 789 HA THR 102 HA THR 102 -8.712 -9.224 9.800 790 HB THR 102 HB THR 102 -8.795 -11.594 9.642 791 HG1 THR 102 HG1 THR 102 -9.774 -12.494 8.006 792 HG21 THR 102 1HG2 THR 102 -10.247 -10.568 11.379 793 HG22 THR 102 2HG2 THR 102 -10.811 -12.153 10.849 794 HG23 THR 102 3HG2 THR 102 -11.608 -10.692 10.265 795 H ALA 103 H ALA 103 -6.840 -9.754 8.677 796 HA ALA 103 HA ALA 103 -6.471 -8.701 6.156 797 HB1 ALA 103 1HB ALA 103 -4.720 -9.355 7.881 798 HB2 ALA 103 2HB ALA 103 -4.813 -10.979 7.198 799 HB3 ALA 103 3HB ALA 103 -4.310 -9.624 6.187 800 H ALA 104 H ALA 104 -7.370 -11.977 7.072 801 HA ALA 104 HA ALA 104 -7.011 -13.215 4.576 802 HB1 ALA 104 1HB ALA 104 -7.662 -15.020 5.697 803 HB2 ALA 104 2HB ALA 104 -7.907 -13.983 7.103 804 HB3 ALA 104 3HB ALA 104 -9.251 -14.323 6.012 805 H ALA 105 H ALA 105 -9.976 -11.887 6.049 806 HA ALA 105 HA ALA 105 -11.687 -12.333 3.896 807 HB1 ALA 105 1HB ALA 105 -12.208 -9.857 5.369 808 HB2 ALA 105 2HB ALA 105 -13.220 -11.286 5.153 809 HB3 ALA 105 3HB ALA 105 -11.962 -11.275 6.390 810 H ALA 106 H ALA 106 -9.336 -9.808 4.444 811 HA ALA 106 HA ALA 106 -10.249 -7.970 2.505 812 HB1 ALA 106 1HB ALA 106 -8.715 -6.833 3.658 813 HB2 ALA 106 2HB ALA 106 -7.896 -8.306 4.183 814 HB3 ALA 106 3HB ALA 106 -7.522 -7.601 2.609 815 H GLU 107 H GLU 107 -7.615 -10.374 2.336 816 HA GLU 107 HA GLU 107 -6.939 -10.000 -0.332 817 HB2 GLU 107 2HB GLU 107 -5.546 -11.318 1.138 818 HB3 GLU 107 3HB GLU 107 -6.825 -12.505 1.350 819 HG2 GLU 107 2HG GLU 107 -6.143 -12.116 -1.440 820 HG3 GLU 107 3HG GLU 107 -4.760 -12.622 -0.471 821 H ASN 108 H ASN 108 -9.416 -12.074 1.100 822 HA ASN 108 HA ASN 108 -10.174 -13.459 -1.208 823 HB2 ASN 108 2HB ASN 108 -10.881 -13.790 1.279 824 HB3 ASN 108 3HB ASN 108 -12.178 -12.668 0.882 825 HD21 ASN 108 1HD2 ASN 108 -13.856 -13.335 -0.370 826 HD22 ASN 108 2HD2 ASN 108 -14.069 -14.968 -0.891 827 H MET 109 H MET 109 -11.453 -10.441 0.168 828 HA MET 109 HA MET 109 -13.426 -9.992 -1.776 829 HB2 MET 109 2HB MET 109 -12.619 -8.733 0.532 830 HB3 MET 109 3HB MET 109 -12.173 -7.567 -0.707 831 HG2 MET 109 2HG MET 109 -14.278 -6.857 -0.424 832 HG3 MET 109 3HG MET 109 -14.657 -8.182 -1.522 833 HE1 MET 109 1HE MET 109 -16.820 -10.378 0.033 834 HE2 MET 109 2HE MET 109 -17.503 -8.765 -0.184 835 HE3 MET 109 3HE MET 109 -16.304 -9.377 -1.325 836 H TYR 110 H TYR 110 -9.997 -9.269 -1.715 837 HA TYR 110 HA TYR 110 -9.936 -7.490 -3.903 838 HB2 TYR 110 2HB TYR 110 -8.075 -8.564 -2.114 839 HB3 TYR 110 3HB TYR 110 -7.537 -9.107 -3.699 840 HD1 TYR 110 HD1 TYR 110 -5.916 -7.771 -4.631 841 HD2 TYR 110 HD2 TYR 110 -8.957 -5.945 -2.282 842 HE1 TYR 110 HE1 TYR 110 -4.905 -5.568 -5.046 843 HE2 TYR 110 HE2 TYR 110 -7.955 -3.736 -2.692 844 HH TYR 110 HH TYR 110 -4.849 -3.363 -4.119 845 H SER 111 H SER 111 -9.096 -10.955 -3.758 846 HA SER 111 HA SER 111 -8.814 -11.261 -6.549 847 HB2 SER 111 2HB SER 111 -9.413 -13.782 -5.706 848 HB3 SER 111 3HB SER 111 -7.812 -13.055 -5.590 849 HG SER 111 HG SER 111 -8.420 -13.881 -3.585 850 H GLN 112 H GLN 112 -11.525 -11.847 -4.351 851 HA GLN 112 HA GLN 112 -13.268 -12.977 -6.252 852 HB2 GLN 112 2HB GLN 112 -13.559 -13.076 -3.770 853 HB3 GLN 112 3HB GLN 112 -14.030 -11.381 -3.801 854 HG2 GLN 112 2HG GLN 112 -16.033 -11.820 -4.861 855 HG3 GLN 112 3HG GLN 112 -15.477 -13.368 -5.495 856 HE21 GLN 112 1HE2 GLN 112 -15.794 -11.831 -2.308 857 HE22 GLN 112 2HE2 GLN 112 -16.571 -13.174 -1.549 858 H MET 113 H MET 113 -12.342 -9.708 -5.591 859 HA MET 113 HA MET 113 -14.588 -8.482 -6.883 860 HB2 MET 113 2HB MET 113 -12.040 -7.572 -5.672 861 HB3 MET 113 3HB MET 113 -12.729 -6.533 -6.912 862 HG2 MET 113 2HG MET 113 -14.649 -7.449 -4.905 863 HG3 MET 113 3HG MET 113 -13.348 -6.444 -4.270 864 HE1 MET 113 1HE MET 113 -14.679 -3.066 -4.775 865 HE2 MET 113 2HE MET 113 -14.438 -4.339 -3.578 866 HE3 MET 113 3HE MET 113 -13.123 -3.888 -4.664 867 H GLY 114 H GLY 114 -11.560 -9.803 -7.902 868 HA2 GLY 114 2HA GLY 114 -11.438 -10.409 -10.280 869 HA3 GLY 114 3HA GLY 114 -12.105 -8.822 -10.636 870 H LEU 115 H LEU 115 -9.752 -9.081 -8.123 871 HA LEU 115 HA LEU 115 -7.879 -7.551 -9.759 872 HB2 LEU 115 2HB LEU 115 -8.071 -8.095 -6.809 873 HB3 LEU 115 3HB LEU 115 -6.677 -7.300 -7.537 874 HG LEU 115 HG LEU 115 -9.047 -5.946 -8.373 875 HD11 LEU 115 1HD1 LEU 115 -9.396 -5.124 -5.855 876 HD12 LEU 115 2HD1 LEU 115 -9.003 -6.816 -5.549 877 HD13 LEU 115 3HD1 LEU 115 -10.365 -6.401 -6.591 878 HD21 LEU 115 1HD2 LEU 115 -7.296 -4.719 -6.353 879 HD22 LEU 115 2HD2 LEU 115 -7.776 -4.138 -7.947 880 HD23 LEU 115 3HD2 LEU 115 -6.481 -5.326 -7.795 881 H ASP 116 H ASP 116 -8.268 -10.675 -8.327 882 HA ASP 116 HA ASP 116 -5.936 -11.650 -9.704 883 HB2 ASP 116 2HB ASP 116 -5.191 -10.712 -7.398 884 HB3 ASP 116 3HB ASP 116 -5.967 -12.150 -6.742 885 H THR 117 H THR 117 -8.209 -12.473 -10.469 886 HA THR 117 HA THR 117 -9.589 -14.431 -9.023 887 HB THR 117 HB THR 117 -9.329 -14.574 -12.013 888 HG1 THR 117 HG1 THR 117 -10.833 -12.668 -10.514 889 HG21 THR 117 1HG2 THR 117 -11.337 -15.638 -11.956 890 HG22 THR 117 2HG2 THR 117 -11.921 -14.694 -10.585 891 HG23 THR 117 3HG2 THR 117 -10.810 -16.039 -10.322 892 H ARG 118 H ARG 118 -9.372 -16.610 -8.803 893 HA ARG 118 HA ARG 118 -8.347 -18.638 -8.698 894 HB2 ARG 118 2HB ARG 118 -7.064 -17.950 -11.339 895 HB3 ARG 118 3HB ARG 118 -7.448 -19.545 -10.707 896 HG2 ARG 118 2HG ARG 118 -9.801 -19.144 -10.971 897 HG3 ARG 118 3HG ARG 118 -9.500 -17.471 -11.442 898 HD2 ARG 118 2HD ARG 118 -8.086 -18.478 -13.337 899 HD3 ARG 118 3HD ARG 118 -8.910 -19.990 -12.959 900 HE ARG 118 HE ARG 118 -10.824 -19.154 -13.911 901 HH11 ARG 118 1HH1 ARG 118 -8.534 -16.573 -13.444 902 HH12 ARG 118 2HH1 ARG 118 -9.450 -15.420 -14.357 903 HH21 ARG 118 1HH2 ARG 118 -12.038 -17.645 -15.116 904 HH22 ARG 118 2HH2 ARG 118 -11.443 -16.030 -15.308 905 HA PRO 119 HA PRO 119 -4.416 -16.551 -7.319 906 HB2 PRO 119 2HB PRO 119 -4.677 -17.244 -4.707 907 HB3 PRO 119 3HB PRO 119 -5.390 -15.776 -5.388 908 HG2 PRO 119 2HG PRO 119 -6.675 -18.419 -4.820 909 HG3 PRO 119 3HG PRO 119 -7.294 -16.785 -4.516 910 HD2 PRO 119 2HD PRO 119 -8.076 -18.267 -6.643 911 HD3 PRO 119 3HD PRO 119 -7.964 -16.497 -6.703 912 H21 MYR 201 1H2 MYR 1 3.697 10.909 0.674 913 H22 MYR 201 2H2 MYR 1 4.607 12.310 1.205 914 H31 MYR 201 1H3 MYR 1 6.786 10.921 0.575 915 H32 MYR 201 2H3 MYR 1 5.715 9.528 0.409 916 H41 MYR 201 1H4 MYR 1 5.148 10.928 2.957 917 H42 MYR 201 2H4 MYR 1 6.876 10.583 2.838 918 H51 MYR 201 1H5 MYR 1 6.404 8.446 3.523 919 H52 MYR 201 2H5 MYR 1 5.702 8.165 1.928 920 H61 MYR 201 1H6 MYR 1 3.704 9.585 3.525 921 H62 MYR 201 2H6 MYR 1 4.349 8.281 4.524 922 H71 MYR 201 1H7 MYR 1 2.664 7.098 3.399 923 H72 MYR 201 2H7 MYR 1 4.011 6.786 2.302 924 H81 MYR 201 1H8 MYR 1 3.256 8.417 0.687 925 H82 MYR 201 2H8 MYR 1 2.241 9.259 1.859 926 H91 MYR 201 1H9 MYR 1 0.867 7.895 0.260 927 H92 MYR 201 2H9 MYR 1 0.623 7.372 1.927 928 H101 MYR 201 1H10 MYR 1 2.315 5.504 1.575 929 H102 MYR 201 2H10 MYR 1 2.516 5.986 -0.102 930 H111 MYR 201 1H11 MYR 1 -0.098 5.597 -0.330 931 H112 MYR 201 2H11 MYR 1 -0.000 4.855 1.259 932 H121 MYR 201 1H12 MYR 1 1.761 3.878 -1.073 933 H122 MYR 201 2H12 MYR 1 0.137 3.250 -0.798 934 H131 MYR 201 1H13 MYR 1 0.851 2.634 1.613 935 H132 MYR 201 2H13 MYR 1 2.498 3.113 1.195 936 H141 MYR 201 1H14 MYR 1 0.876 0.867 -0.210 937 H142 MYR 201 2H14 MYR 1 2.507 1.385 -0.696 938 H143 MYR 201 3H14 MYR 1 2.254 0.637 0.898 Start of MODEL 20 1 H GLY 2 H GLY 2 7.635 14.607 4.825 2 HA2 GLY 2 2HA GLY 2 9.454 15.778 3.939 3 HA3 GLY 2 3HA GLY 2 9.184 14.983 2.395 4 H ASN 3 H ASN 3 6.863 15.627 1.487 5 HA ASN 3 HA ASN 3 6.995 18.507 1.164 6 HB2 ASN 3 2HB ASN 3 5.023 16.667 -0.179 7 HB3 ASN 3 3HB ASN 3 5.624 18.223 -0.742 8 HD21 ASN 3 1HD2 ASN 3 5.701 15.159 -1.511 9 HD22 ASN 3 2HD2 ASN 3 7.305 14.995 -2.130 10 H GLY 4 H GLY 4 4.521 16.099 2.054 11 HA2 GLY 4 2HA GLY 4 3.380 17.895 3.991 12 HA3 GLY 4 3HA GLY 4 2.370 17.696 2.567 13 H GLN 5 H GLN 5 1.027 16.936 4.560 14 HA GLN 5 HA GLN 5 1.577 14.198 5.342 15 HB2 GLN 5 2HB GLN 5 0.109 16.373 6.435 16 HB3 GLN 5 3HB GLN 5 -1.018 15.051 6.171 17 HG2 GLN 5 2HG GLN 5 1.295 13.934 7.325 18 HG3 GLN 5 3HG GLN 5 0.908 15.388 8.243 19 HE21 GLN 5 1HE2 GLN 5 -1.674 15.542 8.429 20 HE22 GLN 5 2HE2 GLN 5 -2.382 14.128 9.124 21 H GLY 6 H GLY 6 -0.699 12.886 5.464 22 HA2 GLY 6 2HA GLY 6 -2.117 13.110 2.921 23 HA3 GLY 6 3HA GLY 6 -1.197 11.636 3.187 24 H ARG 7 H ARG 7 -4.198 12.588 3.112 25 HA ARG 7 HA ARG 7 -5.259 11.805 5.632 26 HB2 ARG 7 2HB ARG 7 -6.328 13.221 3.713 27 HB3 ARG 7 3HB ARG 7 -6.835 11.657 3.087 28 HG2 ARG 7 2HG ARG 7 -8.657 12.082 4.338 29 HG3 ARG 7 3HG ARG 7 -7.657 11.401 5.622 30 HD2 ARG 7 2HD ARG 7 -8.041 13.306 6.722 31 HD3 ARG 7 3HD ARG 7 -6.908 14.045 5.591 32 HE ARG 7 HE ARG 7 -8.658 15.159 4.638 33 HH11 ARG 7 1HH1 ARG 7 -9.901 12.488 6.493 34 HH12 ARG 7 2HH1 ARG 7 -11.560 12.945 6.284 35 HH21 ARG 7 1HH2 ARG 7 -10.837 15.771 4.356 36 HH22 ARG 7 2HH2 ARG 7 -12.090 14.812 5.067 37 H ASP 8 H ASP 8 -5.397 10.185 2.453 38 HA ASP 8 HA ASP 8 -6.432 7.762 3.361 39 HB2 ASP 8 2HB ASP 8 -5.039 8.698 0.927 40 HB3 ASP 8 3HB ASP 8 -4.964 6.964 1.225 41 H TRP 9 H TRP 9 -3.242 9.055 3.584 42 HA TRP 9 HA TRP 9 -1.883 6.568 3.961 43 HB2 TRP 9 2HB TRP 9 -0.602 8.446 3.193 44 HB3 TRP 9 3HB TRP 9 -1.108 9.424 4.567 45 HD1 TRP 9 HD1 TRP 9 0.596 9.555 6.468 46 HE1 TRP 9 HE1 TRP 9 2.621 8.162 7.232 47 HE3 TRP 9 HE3 TRP 9 0.248 5.711 3.115 48 HZ2 TRP 9 HZ2 TRP 9 3.902 5.753 6.508 49 HZ3 TRP 9 HZ3 TRP 9 1.913 3.903 3.218 50 HH2 TRP 9 HH2 TRP 9 3.702 3.924 4.879 51 H LYS 10 H LYS 10 -2.434 9.240 6.263 52 HA LYS 10 HA LYS 10 -1.852 7.732 8.555 53 HB2 LYS 10 2HB LYS 10 -1.865 10.198 8.498 54 HB3 LYS 10 3HB LYS 10 -3.614 10.178 8.315 55 HG2 LYS 10 2HG LYS 10 -3.435 10.549 10.557 56 HG3 LYS 10 3HG LYS 10 -3.514 8.786 10.536 57 HD2 LYS 10 2HD LYS 10 -1.228 8.559 10.938 58 HD3 LYS 10 3HD LYS 10 -0.879 10.213 10.428 59 HE2 LYS 10 2HE LYS 10 -2.544 9.582 12.851 60 HE3 LYS 10 3HE LYS 10 -0.790 9.735 12.924 61 HZ1 LYS 10 1HZ LYS 10 -0.914 11.944 12.800 62 HZ2 LYS 10 2HZ LYS 10 -2.550 11.770 13.190 63 HZ3 LYS 10 3HZ LYS 10 -2.078 11.922 11.572 64 H MET 11 H MET 11 -4.793 8.127 6.718 65 HA MET 11 HA MET 11 -6.553 7.066 8.691 66 HB2 MET 11 2HB MET 11 -7.208 8.506 6.714 67 HB3 MET 11 3HB MET 11 -6.993 7.082 5.706 68 HG2 MET 11 2HG MET 11 -8.833 6.016 6.579 69 HG3 MET 11 3HG MET 11 -8.783 6.934 8.083 70 HE1 MET 11 1HE MET 11 -11.822 7.401 7.553 71 HE2 MET 11 2HE MET 11 -10.561 7.993 8.635 72 HE3 MET 11 3HE MET 11 -11.559 9.135 7.732 73 H ALA 12 H ALA 12 -5.003 5.691 5.803 74 HA ALA 12 HA ALA 12 -6.080 3.131 5.934 75 HB1 ALA 12 1HB ALA 12 -4.822 3.929 4.014 76 HB2 ALA 12 2HB ALA 12 -3.341 3.949 4.973 77 HB3 ALA 12 3HB ALA 12 -4.140 2.418 4.617 78 H ILE 13 H ILE 13 -3.202 4.453 7.519 79 HA ILE 13 HA ILE 13 -2.315 2.036 8.669 80 HB ILE 13 HB ILE 13 -1.884 4.865 9.636 81 HG12 ILE 13 2HG1 ILE 13 -1.090 4.429 7.329 82 HG13 ILE 13 3HG1 ILE 13 0.234 4.745 8.445 83 HG21 ILE 13 1HG2 ILE 13 -1.336 3.530 11.464 84 HG22 ILE 13 2HG2 ILE 13 -0.690 2.241 10.449 85 HG23 ILE 13 3HG2 ILE 13 0.208 3.747 10.637 86 HD11 ILE 13 1HD1 ILE 13 -0.647 2.021 7.520 87 HD12 ILE 13 2HD1 ILE 13 0.734 2.923 6.895 88 HD13 ILE 13 3HD1 ILE 13 0.722 2.379 8.572 89 H LYS 14 H LYS 14 -4.199 4.716 10.069 90 HA LYS 14 HA LYS 14 -4.607 3.584 12.589 91 HB2 LYS 14 2HB LYS 14 -6.086 5.627 10.968 92 HB3 LYS 14 3HB LYS 14 -6.761 5.065 12.492 93 HG2 LYS 14 2HG LYS 14 -4.251 5.635 13.275 94 HG3 LYS 14 3HG LYS 14 -4.448 6.807 11.970 95 HD2 LYS 14 2HD LYS 14 -6.648 6.518 13.954 96 HD3 LYS 14 3HD LYS 14 -5.178 7.359 14.450 97 HE2 LYS 14 2HE LYS 14 -5.669 8.471 12.006 98 HE3 LYS 14 3HE LYS 14 -7.301 8.190 12.610 99 HZ1 LYS 14 1HZ LYS 14 -7.062 9.719 14.230 100 HZ2 LYS 14 2HZ LYS 14 -5.902 10.362 13.181 101 HZ3 LYS 14 3HZ LYS 14 -5.422 9.389 14.478 102 H ARG 15 H ARG 15 -6.676 3.468 9.696 103 HA ARG 15 HA ARG 15 -8.710 1.890 10.827 104 HB2 ARG 15 2HB ARG 15 -7.930 2.779 8.140 105 HB3 ARG 15 3HB ARG 15 -8.764 1.233 8.163 106 HG2 ARG 15 2HG ARG 15 -10.673 2.350 8.235 107 HG3 ARG 15 3HG ARG 15 -10.240 2.875 9.863 108 HD2 ARG 15 2HD ARG 15 -8.989 4.780 8.805 109 HD3 ARG 15 3HD ARG 15 -9.700 4.300 7.265 110 HE ARG 15 HE ARG 15 -11.687 5.225 7.930 111 HH11 ARG 15 1HH1 ARG 15 -9.597 4.881 10.694 112 HH12 ARG 15 2HH1 ARG 15 -10.633 5.780 11.753 113 HH21 ARG 15 1HH2 ARG 15 -13.060 6.409 9.315 114 HH22 ARG 15 2HH2 ARG 15 -12.602 6.648 10.968 115 H CYS 16 H CYS 16 -5.901 0.979 8.841 116 HA CYS 16 HA CYS 16 -6.342 -1.743 8.673 117 HB2 CYS 16 2HB CYS 16 -4.548 -0.509 7.475 118 HB3 CYS 16 3HB CYS 16 -3.657 -0.385 8.988 119 HG CYS 16 HG CYS 16 -3.460 -2.710 6.774 120 H SER 17 H SER 17 -5.077 0.144 11.337 121 HA SER 17 HA SER 17 -3.951 -1.872 12.889 122 HB2 SER 17 2HB SER 17 -5.477 0.513 13.955 123 HB3 SER 17 3HB SER 17 -4.191 -0.381 14.768 124 HG SER 17 HG SER 17 -3.599 1.664 13.691 125 H ASN 18 H ASN 18 -7.265 -1.158 12.218 126 HA ASN 18 HA ASN 18 -8.315 -2.655 14.448 127 HB2 ASN 18 2HB ASN 18 -9.521 -0.720 13.434 128 HB3 ASN 18 3HB ASN 18 -9.753 -1.677 11.973 129 HD21 ASN 18 1HD2 ASN 18 -11.462 -2.971 11.850 130 HD22 ASN 18 2HD2 ASN 18 -12.530 -3.341 13.156 131 H VAL 19 H VAL 19 -7.329 -3.301 11.205 132 HA VAL 19 HA VAL 19 -8.824 -5.506 10.497 133 HB VAL 19 HB VAL 19 -5.872 -5.091 10.009 134 HG11 VAL 19 1HG1 VAL 19 -6.154 -6.598 8.117 135 HG12 VAL 19 2HG1 VAL 19 -6.572 -7.408 9.628 136 HG13 VAL 19 3HG1 VAL 19 -7.846 -6.842 8.547 137 HG21 VAL 19 1HG2 VAL 19 -7.486 -3.279 9.264 138 HG22 VAL 19 2HG2 VAL 19 -6.453 -3.975 8.014 139 HG23 VAL 19 3HG2 VAL 19 -8.142 -4.467 8.138 140 H ALA 20 H ALA 20 -8.880 -7.623 11.032 141 HA ALA 20 HA ALA 20 -7.287 -8.444 13.349 142 HB1 ALA 20 1HB ALA 20 -9.038 -9.674 14.019 143 HB2 ALA 20 2HB ALA 20 -9.953 -8.680 12.886 144 HB3 ALA 20 3HB ALA 20 -9.371 -10.270 12.394 145 H VAL 21 H VAL 21 -5.349 -9.138 12.572 146 HA VAL 21 HA VAL 21 -4.902 -10.529 10.190 147 HB VAL 21 HB VAL 21 -3.248 -10.821 12.698 148 HG11 VAL 21 1HG1 VAL 21 -2.521 -12.350 11.047 149 HG12 VAL 21 2HG1 VAL 21 -2.673 -11.150 9.762 150 HG13 VAL 21 3HG1 VAL 21 -1.404 -10.988 10.975 151 HG21 VAL 21 1HG2 VAL 21 -3.778 -8.477 11.077 152 HG22 VAL 21 2HG2 VAL 21 -2.934 -8.614 12.620 153 HG23 VAL 21 3HG2 VAL 21 -2.062 -8.884 11.111 154 H GLY 22 H GLY 22 -6.045 -11.624 13.279 155 HA2 GLY 22 2HA GLY 22 -5.799 -14.425 12.386 156 HA3 GLY 22 3HA GLY 22 -5.936 -13.918 14.062 157 H VAL 23 H VAL 23 -7.595 -15.065 11.374 158 HA VAL 23 HA VAL 23 -10.145 -13.962 11.666 159 HB VAL 23 HB VAL 23 -10.991 -15.960 10.522 160 HG11 VAL 23 1HG1 VAL 23 -8.570 -15.658 8.957 161 HG12 VAL 23 2HG1 VAL 23 -10.223 -15.159 8.590 162 HG13 VAL 23 3HG1 VAL 23 -9.175 -14.110 9.545 163 HG21 VAL 23 1HG2 VAL 23 -9.423 -17.765 9.901 164 HG22 VAL 23 2HG2 VAL 23 -8.202 -17.034 10.943 165 HG23 VAL 23 3HG2 VAL 23 -9.692 -17.667 11.641 166 H GLY 24 H GLY 24 -8.468 -16.338 13.558 167 HA2 GLY 24 2HA GLY 24 -10.427 -16.233 15.624 168 HA3 GLY 24 3HA GLY 24 -10.526 -17.752 14.743 169 H GLY 25 H GLY 25 -9.676 -17.014 17.550 170 HA2 GLY 25 2HA GLY 25 -8.282 -18.567 18.793 171 HA3 GLY 25 3HA GLY 25 -7.123 -18.492 17.474 172 H LYS 26 H LYS 26 -5.348 -17.427 18.002 173 HA LYS 26 HA LYS 26 -5.206 -15.700 20.260 174 HB2 LYS 26 2HB LYS 26 -3.360 -16.874 18.336 175 HB3 LYS 26 3HB LYS 26 -2.921 -15.223 18.756 176 HG2 LYS 26 2HG LYS 26 -2.612 -15.744 21.002 177 HG3 LYS 26 3HG LYS 26 -3.547 -17.237 20.880 178 HD2 LYS 26 2HD LYS 26 -1.296 -17.917 21.009 179 HD3 LYS 26 3HD LYS 26 -1.730 -18.065 19.305 180 HE2 LYS 26 2HE LYS 26 0.110 -16.864 18.899 181 HE3 LYS 26 3HE LYS 26 -0.816 -15.481 19.479 182 HZ1 LYS 26 1HZ LYS 26 0.216 -15.525 21.513 183 HZ2 LYS 26 2HZ LYS 26 1.485 -16.014 20.505 184 HZ3 LYS 26 3HZ LYS 26 0.631 -17.163 21.407 185 H SER 27 H SER 27 -5.640 -13.603 20.386 186 HA SER 27 HA SER 27 -6.580 -12.112 18.184 187 HB2 SER 27 2HB SER 27 -6.925 -10.352 19.697 188 HB3 SER 27 3HB SER 27 -7.056 -11.791 20.709 189 HG SER 27 HG SER 27 -4.900 -11.447 21.357 190 H LYS 28 H LYS 28 -5.649 -10.530 16.946 191 HA LYS 28 HA LYS 28 -3.098 -9.405 17.427 192 HB2 LYS 28 2HB LYS 28 -2.542 -11.807 16.749 193 HB3 LYS 28 3HB LYS 28 -3.116 -11.372 15.144 194 HG2 LYS 28 2HG LYS 28 -1.291 -10.134 14.677 195 HG3 LYS 28 3HG LYS 28 -1.123 -9.557 16.337 196 HD2 LYS 28 2HD LYS 28 -0.081 -11.582 17.022 197 HD3 LYS 28 3HD LYS 28 -0.489 -12.381 15.503 198 HE2 LYS 28 2HE LYS 28 1.162 -9.908 15.403 199 HE3 LYS 28 3HE LYS 28 1.924 -11.399 15.952 200 HZ1 LYS 28 1HZ LYS 28 0.743 -12.306 13.791 201 HZ2 LYS 28 2HZ LYS 28 2.277 -11.598 13.738 202 HZ3 LYS 28 3HZ LYS 28 0.914 -10.694 13.306 203 H LYS 29 H LYS 29 -3.598 -7.434 16.724 204 HA LYS 29 HA LYS 29 -5.088 -7.142 14.214 205 HB2 LYS 29 2HB LYS 29 -5.066 -5.719 16.722 206 HB3 LYS 29 3HB LYS 29 -4.713 -4.616 15.398 207 HG2 LYS 29 2HG LYS 29 -6.765 -4.981 14.377 208 HG3 LYS 29 3HG LYS 29 -7.031 -6.499 15.237 209 HD2 LYS 29 2HD LYS 29 -6.841 -4.722 17.296 210 HD3 LYS 29 3HD LYS 29 -7.613 -3.740 16.047 211 HE2 LYS 29 2HE LYS 29 -9.381 -5.357 15.803 212 HE3 LYS 29 3HE LYS 29 -8.572 -6.466 16.908 213 HZ1 LYS 29 1HZ LYS 29 -10.443 -5.130 17.872 214 HZ2 LYS 29 2HZ LYS 29 -9.463 -3.761 17.721 215 HZ3 LYS 29 3HZ LYS 29 -8.982 -5.039 18.720 216 H PHE 30 H PHE 30 -4.404 -5.581 12.642 217 HA PHE 30 HA PHE 30 -1.647 -5.723 12.051 218 HB2 PHE 30 2HB PHE 30 -4.046 -4.744 10.775 219 HB3 PHE 30 3HB PHE 30 -2.723 -3.604 10.551 220 HD1 PHE 30 HD1 PHE 30 -0.380 -5.150 10.206 221 HD2 PHE 30 HD2 PHE 30 -4.336 -6.019 8.896 222 HE1 PHE 30 HE1 PHE 30 0.529 -6.558 8.404 223 HE2 PHE 30 HE2 PHE 30 -3.433 -7.428 7.092 224 HZ PHE 30 HZ PHE 30 -0.998 -7.699 6.845 225 H GLY 31 H GLY 31 -0.664 -3.412 11.247 226 HA2 GLY 31 2HA GLY 31 -1.079 -1.169 12.905 227 HA3 GLY 31 3HA GLY 31 0.214 -2.147 13.584 228 H GLU 32 H GLU 32 0.791 0.386 12.841 229 HA GLU 32 HA GLU 32 1.602 0.806 10.204 230 HB2 GLU 32 2HB GLU 32 3.141 2.515 11.162 231 HB3 GLU 32 3HB GLU 32 1.488 2.649 11.743 232 HG2 GLU 32 2HG GLU 32 2.173 1.420 13.791 233 HG3 GLU 32 3HG GLU 32 3.838 1.483 13.215 234 H GLY 33 H GLY 33 3.317 -0.661 12.928 235 HA2 GLY 33 2HA GLY 33 5.829 -0.915 11.672 236 HA3 GLY 33 3HA GLY 33 5.260 -1.878 13.028 237 H ASN 34 H ASN 34 3.242 -3.336 12.084 238 HA ASN 34 HA ASN 34 4.479 -5.393 10.666 239 HB2 ASN 34 2HB ASN 34 1.503 -4.873 10.817 240 HB3 ASN 34 3HB ASN 34 2.292 -6.419 10.525 241 HD21 ASN 34 1HD2 ASN 34 0.931 -4.432 12.818 242 HD22 ASN 34 2HD2 ASN 34 1.533 -5.210 14.238 243 H PHE 35 H PHE 35 2.165 -2.943 9.528 244 HA PHE 35 HA PHE 35 1.920 -3.757 6.896 245 HB2 PHE 35 2HB PHE 35 0.503 -2.015 7.726 246 HB3 PHE 35 3HB PHE 35 1.882 -0.984 8.094 247 HD1 PHE 35 HD1 PHE 35 1.023 -2.923 5.032 248 HD2 PHE 35 HD2 PHE 35 1.695 0.899 6.780 249 HE1 PHE 35 HE1 PHE 35 0.825 -1.878 2.814 250 HE2 PHE 35 HE2 PHE 35 1.497 1.951 4.564 251 HZ PHE 35 HZ PHE 35 1.061 0.562 2.578 252 H ARG 36 H ARG 36 4.393 -1.691 8.361 253 HA ARG 36 HA ARG 36 5.739 -1.050 5.962 254 HB2 ARG 36 2HB ARG 36 6.734 -1.136 8.815 255 HB3 ARG 36 3HB ARG 36 7.641 -0.460 7.469 256 HG2 ARG 36 2HG ARG 36 4.924 0.600 7.777 257 HG3 ARG 36 3HG ARG 36 6.026 0.961 9.107 258 HD2 ARG 36 2HD ARG 36 7.668 1.789 7.420 259 HD3 ARG 36 3HD ARG 36 6.429 1.576 6.185 260 HE ARG 36 HE ARG 36 5.449 3.511 6.897 261 HH11 ARG 36 1HH1 ARG 36 7.595 2.354 9.383 262 HH12 ARG 36 2HH1 ARG 36 7.415 3.762 10.377 263 HH21 ARG 36 1HH2 ARG 36 5.204 5.370 8.196 264 HH22 ARG 36 2HH2 ARG 36 6.053 5.477 9.701 265 H TRP 37 H TRP 37 6.179 -3.639 8.332 266 HA TRP 37 HA TRP 37 8.538 -4.731 7.301 267 HB2 TRP 37 2HB TRP 37 7.788 -5.445 9.453 268 HB3 TRP 37 3HB TRP 37 6.244 -5.990 8.806 269 HD1 TRP 37 HD1 TRP 37 9.779 -7.132 9.422 270 HE1 TRP 37 HE1 TRP 37 10.022 -9.597 8.720 271 HE3 TRP 37 HE3 TRP 37 5.316 -7.728 7.003 272 HZ2 TRP 37 HZ2 TRP 37 8.518 -11.536 7.325 273 HZ3 TRP 37 HZ3 TRP 37 4.794 -9.919 6.012 274 HH2 TRP 37 HH2 TRP 37 6.364 -11.782 6.170 275 H ALA 38 H ALA 38 5.208 -5.074 6.293 276 HA ALA 38 HA ALA 38 5.652 -7.302 4.559 277 HB1 ALA 38 1HB ALA 38 3.397 -6.700 3.657 278 HB2 ALA 38 2HB ALA 38 3.448 -6.970 5.399 279 HB3 ALA 38 3HB ALA 38 3.389 -5.326 4.763 280 H ILE 39 H ILE 39 4.965 -3.862 3.893 281 HA ILE 39 HA ILE 39 5.433 -3.978 1.138 282 HB ILE 39 HB ILE 39 4.291 -2.085 2.121 283 HG12 ILE 39 2HG1 ILE 39 6.812 -0.845 1.100 284 HG13 ILE 39 3HG1 ILE 39 5.913 -1.923 0.039 285 HG21 ILE 39 1HG2 ILE 39 5.582 -2.047 4.233 286 HG22 ILE 39 2HG2 ILE 39 6.925 -1.310 3.362 287 HG23 ILE 39 3HG2 ILE 39 5.391 -0.453 3.507 288 HD11 ILE 39 1HD1 ILE 39 4.836 -0.057 -0.551 289 HD12 ILE 39 2HD1 ILE 39 3.936 -0.308 0.945 290 HD13 ILE 39 3HD1 ILE 39 5.307 0.800 0.916 291 H ARG 40 H ARG 40 7.624 -3.373 3.836 292 HA ARG 40 HA ARG 40 9.870 -2.592 2.335 293 HB2 ARG 40 2HB ARG 40 9.747 -2.234 4.740 294 HB3 ARG 40 3HB ARG 40 9.716 -3.970 5.020 295 HG2 ARG 40 2HG ARG 40 11.961 -4.221 4.351 296 HG3 ARG 40 3HG ARG 40 12.011 -2.600 3.655 297 HD2 ARG 40 2HD ARG 40 12.884 -1.929 5.594 298 HD3 ARG 40 3HD ARG 40 11.281 -2.169 6.288 299 HE ARG 40 HE ARG 40 12.822 -4.575 6.245 300 HH11 ARG 40 1HH1 ARG 40 12.276 -1.608 7.982 301 HH12 ARG 40 2HH1 ARG 40 12.825 -2.241 9.498 302 HH21 ARG 40 1HH2 ARG 40 13.547 -5.421 8.235 303 HH22 ARG 40 2HH2 ARG 40 13.549 -4.411 9.641 304 H MET 41 H MET 41 9.062 -5.778 3.724 305 HA MET 41 HA MET 41 11.223 -7.144 2.540 306 HB2 MET 41 2HB MET 41 8.576 -8.074 3.637 307 HB3 MET 41 3HB MET 41 9.760 -9.195 2.981 308 HG2 MET 41 2HG MET 41 11.058 -7.465 4.834 309 HG3 MET 41 3HG MET 41 9.609 -8.131 5.584 310 HE1 MET 41 1HE MET 41 12.526 -8.885 3.347 311 HE2 MET 41 2HE MET 41 13.177 -10.428 3.899 312 HE3 MET 41 3HE MET 41 11.763 -10.394 2.845 313 H ALA 42 H ALA 42 7.775 -7.099 1.624 314 HA ALA 42 HA ALA 42 7.923 -8.614 -0.677 315 HB1 ALA 42 1HB ALA 42 5.957 -7.130 -1.444 316 HB2 ALA 42 2HB ALA 42 5.773 -8.087 0.027 317 HB3 ALA 42 3HB ALA 42 6.123 -6.363 0.136 318 H ASN 43 H ASN 43 8.831 -5.270 -0.179 319 HA ASN 43 HA ASN 43 9.028 -4.532 -2.905 320 HB2 ASN 43 2HB ASN 43 9.952 -3.409 -0.311 321 HB3 ASN 43 3HB ASN 43 10.770 -2.844 -1.764 322 HD21 ASN 43 1HD2 ASN 43 9.129 -1.317 0.009 323 HD22 ASN 43 2HD2 ASN 43 7.791 -0.731 -0.915 324 H VAL 44 H VAL 44 11.610 -5.281 -0.556 325 HA VAL 44 HA VAL 44 13.693 -5.376 -2.429 326 HB VAL 44 HB VAL 44 13.524 -6.874 0.190 327 HG11 VAL 44 1HG1 VAL 44 15.376 -7.777 -0.831 328 HG12 VAL 44 2HG1 VAL 44 15.736 -6.299 -1.727 329 HG13 VAL 44 3HG1 VAL 44 16.088 -6.394 -0.001 330 HG21 VAL 44 1HG2 VAL 44 14.887 -4.857 0.979 331 HG22 VAL 44 2HG2 VAL 44 14.293 -4.048 -0.470 332 HG23 VAL 44 3HG2 VAL 44 13.155 -4.628 0.745 333 H SER 45 H SER 45 11.465 -7.851 -1.289 334 HA SER 45 HA SER 45 12.777 -10.074 -2.433 335 HB2 SER 45 2HB SER 45 11.174 -10.616 -0.810 336 HB3 SER 45 3HB SER 45 9.956 -9.558 -1.524 337 HG SER 45 HG SER 45 9.615 -11.826 -1.926 338 H THR 46 H THR 46 10.741 -7.611 -3.756 339 HA THR 46 HA THR 46 10.342 -9.111 -6.235 340 HB THR 46 HB THR 46 8.975 -7.071 -6.895 341 HG1 THR 46 HG1 THR 46 8.719 -5.495 -5.469 342 HG21 THR 46 1HG2 THR 46 7.190 -7.673 -5.027 343 HG22 THR 46 2HG2 THR 46 8.325 -8.986 -4.712 344 HG23 THR 46 3HG2 THR 46 7.605 -8.809 -6.312 345 H GLY 47 H GLY 47 12.947 -7.908 -5.275 346 HA2 GLY 47 2HA GLY 47 14.731 -6.759 -6.155 347 HA3 GLY 47 3HA GLY 47 14.043 -7.200 -7.711 348 H ARG 48 H ARG 48 12.293 -5.198 -5.458 349 HA ARG 48 HA ARG 48 12.507 -2.976 -7.361 350 HB2 ARG 48 2HB ARG 48 10.324 -4.112 -6.025 351 HB3 ARG 48 3HB ARG 48 10.596 -2.570 -5.225 352 HG2 ARG 48 2HG ARG 48 10.469 -1.427 -7.383 353 HG3 ARG 48 3HG ARG 48 10.192 -2.976 -8.182 354 HD2 ARG 48 2HD ARG 48 8.063 -3.183 -7.339 355 HD3 ARG 48 3HD ARG 48 8.407 -2.174 -5.935 356 HE ARG 48 HE ARG 48 8.587 -0.459 -8.037 357 HH11 ARG 48 1HH1 ARG 48 6.153 -2.674 -6.905 358 HH12 ARG 48 2HH1 ARG 48 4.829 -1.734 -7.511 359 HH21 ARG 48 1HH2 ARG 48 6.854 0.788 -8.839 360 HH22 ARG 48 2HH2 ARG 48 5.230 0.236 -8.611 361 H GLU 49 H GLU 49 12.768 -0.806 -6.573 362 HA GLU 49 HA GLU 49 14.905 -0.429 -4.870 363 HB2 GLU 49 2HB GLU 49 14.014 1.969 -4.685 364 HB3 GLU 49 3HB GLU 49 14.385 1.361 -6.293 365 HG2 GLU 49 2HG GLU 49 12.093 1.039 -6.798 366 HG3 GLU 49 3HG GLU 49 11.620 1.314 -5.122 367 HA PRO 50 HA PRO 50 13.455 -0.703 -0.739 368 HB2 PRO 50 2HB PRO 50 14.910 1.234 0.486 369 HB3 PRO 50 3HB PRO 50 15.614 -0.288 -0.070 370 HG2 PRO 50 2HG PRO 50 15.642 2.403 -1.382 371 HG3 PRO 50 3HG PRO 50 16.956 1.223 -1.220 372 HD2 PRO 50 2HD PRO 50 15.526 1.506 -3.501 373 HD3 PRO 50 3HD PRO 50 16.197 -0.054 -2.982 374 H GLY 51 H GLY 51 13.498 2.546 -2.147 375 HA2 GLY 51 2HA GLY 51 11.548 3.514 -0.219 376 HA3 GLY 51 3HA GLY 51 12.290 4.444 -1.513 377 H ASP 52 H ASP 52 10.402 1.427 -1.512 378 HA ASP 52 HA ASP 52 8.807 2.459 -3.715 379 HB2 ASP 52 2HB ASP 52 9.610 -0.144 -2.790 380 HB3 ASP 52 3HB ASP 52 7.856 -0.083 -2.942 381 H ILE 53 H ILE 53 7.492 4.006 -2.773 382 HA ILE 53 HA ILE 53 5.438 2.943 -0.951 383 HB ILE 53 HB ILE 53 5.275 5.320 -0.048 384 HG12 ILE 53 2HG1 ILE 53 8.125 5.570 -0.977 385 HG13 ILE 53 3HG1 ILE 53 6.795 6.160 -1.968 386 HG21 ILE 53 1HG2 ILE 53 6.287 4.441 1.721 387 HG22 ILE 53 2HG2 ILE 53 6.860 3.129 0.692 388 HG23 ILE 53 3HG2 ILE 53 7.861 4.561 0.936 389 HD11 ILE 53 1HD1 ILE 53 6.863 7.023 0.859 390 HD12 ILE 53 2HD1 ILE 53 8.075 7.696 -0.232 391 HD13 ILE 53 3HD1 ILE 53 6.359 7.898 -0.587 392 HA PRO 54 HA PRO 54 3.493 4.656 -4.807 393 HB2 PRO 54 2HB PRO 54 1.803 2.562 -5.164 394 HB3 PRO 54 3HB PRO 54 3.453 2.584 -5.798 395 HG2 PRO 54 2HG PRO 54 2.392 1.277 -3.323 396 HG3 PRO 54 3HG PRO 54 3.535 0.642 -4.522 397 HD2 PRO 54 2HD PRO 54 4.333 1.658 -2.142 398 HD3 PRO 54 3HD PRO 54 5.317 1.789 -3.614 399 H GLU 55 H GLU 55 0.969 4.646 -5.218 400 HA GLU 55 HA GLU 55 -0.636 4.664 -2.823 401 HB2 GLU 55 2HB GLU 55 0.288 7.200 -4.126 402 HB3 GLU 55 3HB GLU 55 -1.295 7.135 -3.367 403 HG2 GLU 55 2HG GLU 55 0.310 6.054 -1.440 404 HG3 GLU 55 3HG GLU 55 1.359 7.269 -2.168 405 H THR 56 H THR 56 -0.946 3.121 -5.031 406 HA THR 56 HA THR 56 -3.488 4.102 -6.078 407 HB THR 56 HB THR 56 -2.996 3.682 -8.363 408 HG1 THR 56 HG1 THR 56 -1.396 2.418 -8.986 409 HG21 THR 56 1HG2 THR 56 -2.100 5.820 -7.334 410 HG22 THR 56 2HG2 THR 56 -1.366 5.330 -8.862 411 HG23 THR 56 3HG2 THR 56 -0.515 5.050 -7.343 412 H LEU 57 H LEU 57 -4.987 2.527 -6.328 413 HA LEU 57 HA LEU 57 -4.734 0.079 -5.077 414 HB2 LEU 57 2HB LEU 57 -6.831 1.322 -5.875 415 HB3 LEU 57 3HB LEU 57 -6.574 0.498 -7.411 416 HG LEU 57 HG LEU 57 -6.513 -1.573 -5.615 417 HD11 LEU 57 1HD1 LEU 57 -8.803 -1.039 -4.430 418 HD12 LEU 57 2HD1 LEU 57 -8.211 0.618 -4.542 419 HD13 LEU 57 3HD1 LEU 57 -7.263 -0.601 -3.691 420 HD21 LEU 57 1HD2 LEU 57 -8.745 -2.098 -6.481 421 HD22 LEU 57 2HD2 LEU 57 -7.658 -1.555 -7.760 422 HD23 LEU 57 3HD2 LEU 57 -8.881 -0.457 -7.115 423 H ASP 58 H ASP 58 -3.981 0.967 -8.373 424 HA ASP 58 HA ASP 58 -3.761 -1.652 -9.426 425 HB2 ASP 58 2HB ASP 58 -3.924 0.538 -10.724 426 HB3 ASP 58 3HB ASP 58 -2.207 0.749 -10.388 427 H GLN 59 H GLN 59 -1.364 0.588 -8.068 428 HA GLN 59 HA GLN 59 0.904 -0.990 -8.474 429 HB2 GLN 59 2HB GLN 59 0.192 1.347 -6.867 430 HB3 GLN 59 3HB GLN 59 1.430 0.346 -6.119 431 HG2 GLN 59 2HG GLN 59 2.874 1.487 -7.362 432 HG3 GLN 59 3HG GLN 59 2.293 0.512 -8.710 433 HE21 GLN 59 1HE2 GLN 59 1.609 3.498 -6.940 434 HE22 GLN 59 2HE2 GLN 59 1.064 4.394 -8.313 435 H LEU 60 H LEU 60 -1.430 -0.949 -5.828 436 HA LEU 60 HA LEU 60 -0.049 -2.706 -4.111 437 HB2 LEU 60 2HB LEU 60 -2.857 -1.762 -4.375 438 HB3 LEU 60 3HB LEU 60 -2.542 -3.166 -3.358 439 HG LEU 60 HG LEU 60 -2.666 -0.996 -2.134 440 HD11 LEU 60 1HD1 LEU 60 0.114 -1.963 -1.782 441 HD12 LEU 60 2HD1 LEU 60 -1.191 -3.132 -1.592 442 HD13 LEU 60 3HD1 LEU 60 -1.153 -1.684 -0.586 443 HD21 LEU 60 1HD2 LEU 60 -1.232 0.732 -2.487 444 HD22 LEU 60 2HD2 LEU 60 -1.294 0.094 -4.130 445 HD23 LEU 60 3HD2 LEU 60 0.062 -0.313 -3.076 446 H ARG 61 H ARG 61 -2.808 -3.352 -6.281 447 HA ARG 61 HA ARG 61 -2.870 -6.117 -5.945 448 HB2 ARG 61 2HB ARG 61 -4.708 -4.998 -7.007 449 HB3 ARG 61 3HB ARG 61 -3.671 -4.402 -8.296 450 HG2 ARG 61 2HG ARG 61 -3.758 -7.327 -7.988 451 HG3 ARG 61 3HG ARG 61 -5.258 -6.560 -8.515 452 HD2 ARG 61 2HD ARG 61 -3.574 -5.292 -10.136 453 HD3 ARG 61 3HD ARG 61 -2.636 -6.764 -9.887 454 HE ARG 61 HE ARG 61 -5.127 -7.664 -10.509 455 HH11 ARG 61 1HH1 ARG 61 -2.867 -5.496 -12.028 456 HH12 ARG 61 2HH1 ARG 61 -3.392 -5.866 -13.637 457 HH21 ARG 61 1HH2 ARG 61 -5.828 -8.161 -12.622 458 HH22 ARG 61 2HH2 ARG 61 -5.077 -7.382 -13.974 459 H LEU 62 H LEU 62 -0.679 -4.134 -7.718 460 HA LEU 62 HA LEU 62 0.265 -6.175 -9.492 461 HB2 LEU 62 2HB LEU 62 0.706 -3.378 -9.064 462 HB3 LEU 62 3HB LEU 62 2.257 -4.210 -9.152 463 HG LEU 62 HG LEU 62 1.546 -5.163 -11.344 464 HD11 LEU 62 1HD1 LEU 62 -0.938 -4.722 -10.756 465 HD12 LEU 62 2HD1 LEU 62 -0.396 -4.528 -12.422 466 HD13 LEU 62 3HD1 LEU 62 -0.626 -3.110 -11.400 467 HD21 LEU 62 1HD2 LEU 62 1.940 -3.131 -12.600 468 HD22 LEU 62 2HD2 LEU 62 2.972 -3.165 -11.170 469 HD23 LEU 62 3HD2 LEU 62 1.529 -2.150 -11.193 470 H VAL 63 H VAL 63 1.859 -4.497 -6.773 471 HA VAL 63 HA VAL 63 4.073 -6.123 -6.539 472 HB VAL 63 HB VAL 63 4.143 -5.450 -4.138 473 HG11 VAL 63 1HG1 VAL 63 5.235 -3.787 -5.155 474 HG12 VAL 63 2HG1 VAL 63 4.045 -3.684 -6.454 475 HG13 VAL 63 3HG1 VAL 63 3.760 -2.847 -4.928 476 HG21 VAL 63 1HG2 VAL 63 1.695 -5.477 -3.778 477 HG22 VAL 63 2HG2 VAL 63 2.454 -3.979 -3.240 478 HG23 VAL 63 3HG2 VAL 63 1.562 -4.020 -4.761 479 H ILE 64 H ILE 64 0.799 -6.713 -5.493 480 HA ILE 64 HA ILE 64 1.379 -8.884 -3.747 481 HB ILE 64 HB ILE 64 -1.177 -8.169 -5.186 482 HG12 ILE 64 2HG1 ILE 64 -0.616 -7.826 -2.254 483 HG13 ILE 64 3HG1 ILE 64 -0.099 -6.603 -3.410 484 HG21 ILE 64 1HG2 ILE 64 -1.787 -9.631 -2.900 485 HG22 ILE 64 2HG2 ILE 64 -1.919 -10.173 -4.573 486 HG23 ILE 64 3HG2 ILE 64 -0.452 -10.505 -3.651 487 HD11 ILE 64 1HD1 ILE 64 -2.366 -6.336 -2.218 488 HD12 ILE 64 2HD1 ILE 64 -2.267 -6.018 -3.950 489 HD13 ILE 64 3HD1 ILE 64 -2.933 -7.545 -3.370 490 H CYS 65 H CYS 65 -0.079 -8.843 -7.006 491 HA CYS 65 HA CYS 65 -0.110 -11.564 -7.466 492 HB2 CYS 65 2HB CYS 65 0.079 -9.176 -9.257 493 HB3 CYS 65 3HB CYS 65 0.270 -10.779 -9.956 494 HG CYS 65 HG CYS 65 -2.491 -9.230 -8.902 495 H ASP 66 H ASP 66 2.568 -9.332 -7.631 496 HA ASP 66 HA ASP 66 4.354 -11.039 -9.037 497 HB2 ASP 66 2HB ASP 66 5.118 -8.828 -7.126 498 HB3 ASP 66 3HB ASP 66 6.062 -9.459 -8.473 499 H LEU 67 H LEU 67 4.067 -10.209 -5.584 500 HA LEU 67 HA LEU 67 6.074 -11.838 -4.596 501 HB2 LEU 67 2HB LEU 67 3.431 -11.090 -3.358 502 HB3 LEU 67 3HB LEU 67 4.746 -11.868 -2.481 503 HG LEU 67 HG LEU 67 5.166 -9.239 -3.859 504 HD11 LEU 67 1HD1 LEU 67 3.153 -9.369 -2.165 505 HD12 LEU 67 2HD1 LEU 67 4.281 -8.014 -2.149 506 HD13 LEU 67 3HD1 LEU 67 4.453 -9.318 -0.974 507 HD21 LEU 67 1HD2 LEU 67 7.072 -9.099 -2.615 508 HD22 LEU 67 2HD2 LEU 67 6.956 -10.852 -2.771 509 HD23 LEU 67 3HD2 LEU 67 6.414 -10.061 -1.291 510 H GLN 68 H GLN 68 2.716 -12.643 -5.347 511 HA GLN 68 HA GLN 68 2.787 -15.277 -4.317 512 HB2 GLN 68 2HB GLN 68 0.967 -13.677 -6.000 513 HB3 GLN 68 3HB GLN 68 0.879 -15.415 -6.246 514 HG2 GLN 68 2HG GLN 68 0.912 -14.954 -3.458 515 HG3 GLN 68 3HG GLN 68 -0.258 -13.845 -4.171 516 HE21 GLN 68 1HE2 GLN 68 -2.100 -14.807 -3.504 517 HE22 GLN 68 2HE2 GLN 68 -2.594 -16.393 -3.978 518 H GLU 69 H GLU 69 3.378 -13.936 -7.538 519 HA GLU 69 HA GLU 69 3.621 -16.308 -8.968 520 HB2 GLU 69 2HB GLU 69 3.718 -13.790 -9.718 521 HB3 GLU 69 3HB GLU 69 5.453 -14.015 -9.550 522 HG2 GLU 69 2HG GLU 69 4.960 -14.420 -11.809 523 HG3 GLU 69 3HG GLU 69 5.229 -16.002 -11.080 524 H ARG 70 H ARG 70 6.051 -14.543 -7.093 525 HA ARG 70 HA ARG 70 8.191 -16.311 -7.744 526 HB2 ARG 70 2HB ARG 70 7.777 -14.071 -5.819 527 HB3 ARG 70 3HB ARG 70 9.124 -15.167 -5.538 528 HG2 ARG 70 2HG ARG 70 9.399 -14.601 -8.194 529 HG3 ARG 70 3HG ARG 70 8.786 -13.078 -7.547 530 HD2 ARG 70 2HD ARG 70 10.576 -12.945 -5.972 531 HD3 ARG 70 3HD ARG 70 11.109 -14.581 -6.357 532 HE ARG 70 HE ARG 70 11.673 -12.174 -7.836 533 HH11 ARG 70 1HH1 ARG 70 11.481 -15.648 -7.947 534 HH12 ARG 70 2HH1 ARG 70 12.564 -15.796 -9.291 535 HH21 ARG 70 1HH2 ARG 70 13.099 -12.355 -9.607 536 HH22 ARG 70 2HH2 ARG 70 13.485 -13.923 -10.234 537 H ARG 71 H ARG 71 6.189 -15.890 -4.829 538 HA ARG 71 HA ARG 71 7.310 -17.944 -3.313 539 HB2 ARG 71 2HB ARG 71 5.727 -16.197 -2.477 540 HB3 ARG 71 3HB ARG 71 4.420 -17.063 -3.272 541 HG2 ARG 71 2HG ARG 71 5.107 -19.070 -1.872 542 HG3 ARG 71 3HG ARG 71 6.082 -17.936 -0.935 543 HD2 ARG 71 2HD ARG 71 4.293 -17.181 0.157 544 HD3 ARG 71 3HD ARG 71 3.407 -16.930 -1.345 545 HE ARG 71 HE ARG 71 3.155 -19.141 0.456 546 HH11 ARG 71 1HH1 ARG 71 2.835 -18.139 -2.864 547 HH12 ARG 71 2HH1 ARG 71 1.678 -19.367 -3.258 548 HH21 ARG 71 1HH2 ARG 71 1.631 -20.760 -0.052 549 HH22 ARG 71 2HH2 ARG 71 0.993 -20.856 -1.658 550 H GLU 72 H GLU 72 5.026 -18.041 -5.936 551 HA GLU 72 HA GLU 72 4.090 -20.695 -5.443 552 HB2 GLU 72 2HB GLU 72 3.810 -18.685 -7.610 553 HB3 GLU 72 3HB GLU 72 3.552 -20.367 -8.052 554 HG2 GLU 72 2HG GLU 72 1.952 -20.448 -6.057 555 HG3 GLU 72 3HG GLU 72 2.023 -18.688 -6.102 556 H LYS 73 H LYS 73 6.283 -19.338 -7.906 557 HA LYS 73 HA LYS 73 7.072 -21.697 -9.108 558 HB2 LYS 73 2HB LYS 73 7.658 -19.209 -9.646 559 HB3 LYS 73 3HB LYS 73 9.062 -19.505 -8.629 560 HG2 LYS 73 2HG LYS 73 9.415 -21.569 -10.160 561 HG3 LYS 73 3HG LYS 73 8.355 -20.700 -11.271 562 HD2 LYS 73 2HD LYS 73 9.886 -18.728 -11.046 563 HD3 LYS 73 3HD LYS 73 10.987 -19.765 -10.136 564 HE2 LYS 73 2HE LYS 73 11.816 -19.864 -12.309 565 HE3 LYS 73 3HE LYS 73 10.855 -21.335 -12.168 566 HZ1 LYS 73 1HZ LYS 73 8.999 -19.796 -13.126 567 HZ2 LYS 73 2HZ LYS 73 10.125 -20.523 -14.158 568 HZ3 LYS 73 3HZ LYS 73 10.310 -18.902 -13.713 569 H PHE 74 H PHE 74 8.153 -20.274 -6.092 570 HA PHE 74 HA PHE 74 10.255 -22.250 -5.759 571 HB2 PHE 74 2HB PHE 74 9.381 -19.800 -4.305 572 HB3 PHE 74 3HB PHE 74 10.255 -21.026 -3.393 573 HD1 PHE 74 HD1 PHE 74 12.576 -21.510 -3.862 574 HD2 PHE 74 HD2 PHE 74 10.460 -18.547 -6.067 575 HE1 PHE 74 HE1 PHE 74 14.707 -20.634 -4.723 576 HE2 PHE 74 HE2 PHE 74 12.588 -17.667 -6.932 577 HZ PHE 74 HZ PHE 74 14.716 -18.710 -6.261 578 H GLY 75 H GLY 75 6.970 -21.719 -4.784 579 HA2 GLY 75 2HA GLY 75 5.916 -23.951 -4.177 580 HA3 GLY 75 3HA GLY 75 7.148 -24.004 -2.925 581 H SER 76 H SER 76 7.012 -22.568 -1.158 582 HA SER 76 HA SER 76 4.736 -20.810 -0.914 583 HB2 SER 76 2HB SER 76 4.164 -22.107 1.327 584 HB3 SER 76 3HB SER 76 3.449 -22.588 -0.212 585 HG SER 76 HG SER 76 5.235 -24.104 -0.380 586 H SER 77 H SER 77 4.659 -19.936 1.442 587 HA SER 77 HA SER 77 6.939 -20.024 3.076 588 HB2 SER 77 2HB SER 77 8.217 -18.919 1.430 589 HB3 SER 77 3HB SER 77 6.888 -17.843 0.998 590 HG SER 77 HG SER 77 8.560 -17.776 3.266 591 H LYS 78 H LYS 78 6.353 -19.294 5.016 592 HA LYS 78 HA LYS 78 3.784 -18.195 5.457 593 HB2 LYS 78 2HB LYS 78 5.879 -19.293 7.028 594 HB3 LYS 78 3HB LYS 78 5.493 -17.715 7.703 595 HG2 LYS 78 2HG LYS 78 3.566 -18.433 8.553 596 HG3 LYS 78 3HG LYS 78 3.123 -19.275 7.067 597 HD2 LYS 78 2HD LYS 78 4.857 -21.030 7.783 598 HD3 LYS 78 3HD LYS 78 4.774 -20.264 9.372 599 HE2 LYS 78 2HE LYS 78 2.236 -21.031 8.014 600 HE3 LYS 78 3HE LYS 78 3.219 -22.297 8.749 601 HZ1 LYS 78 1HZ LYS 78 3.191 -20.601 10.743 602 HZ2 LYS 78 2HZ LYS 78 1.947 -21.724 10.519 603 HZ3 LYS 78 3HZ LYS 78 1.739 -20.122 10.019 604 H GLU 79 H GLU 79 7.039 -16.777 5.671 605 HA GLU 79 HA GLU 79 6.267 -14.210 6.462 606 HB2 GLU 79 2HB GLU 79 8.630 -14.954 4.728 607 HB3 GLU 79 3HB GLU 79 8.450 -13.476 5.665 608 HG2 GLU 79 2HG GLU 79 8.348 -14.906 7.720 609 HG3 GLU 79 3HG GLU 79 8.788 -16.276 6.703 610 H ILE 80 H ILE 80 6.902 -15.468 3.193 611 HA ILE 80 HA ILE 80 6.326 -13.122 1.788 612 HB ILE 80 HB ILE 80 5.917 -15.972 0.873 613 HG12 ILE 80 2HG1 ILE 80 8.283 -14.148 0.416 614 HG13 ILE 80 3HG1 ILE 80 8.224 -15.374 1.678 615 HG21 ILE 80 1HG2 ILE 80 4.883 -14.912 -0.827 616 HG22 ILE 80 2HG2 ILE 80 5.637 -13.362 -0.462 617 HG23 ILE 80 3HG2 ILE 80 6.533 -14.590 -1.356 618 HD11 ILE 80 1HD1 ILE 80 8.892 -16.915 0.247 619 HD12 ILE 80 2HD1 ILE 80 7.533 -16.562 -0.820 620 HD13 ILE 80 3HD1 ILE 80 9.043 -15.666 -0.989 621 H ASP 81 H ASP 81 4.203 -15.872 2.560 622 HA ASP 81 HA ASP 81 1.887 -15.006 1.326 623 HB2 ASP 81 2HB ASP 81 2.191 -17.227 2.402 624 HB3 ASP 81 3HB ASP 81 2.055 -16.452 3.978 625 H MET 82 H MET 82 3.230 -14.066 4.443 626 HA MET 82 HA MET 82 0.994 -12.627 5.382 627 HB2 MET 82 2HB MET 82 3.892 -12.737 6.060 628 HB3 MET 82 3HB MET 82 2.965 -11.366 6.653 629 HG2 MET 82 2HG MET 82 1.759 -14.017 7.081 630 HG3 MET 82 3HG MET 82 3.237 -13.682 7.978 631 HE1 MET 82 1HE MET 82 3.401 -12.716 9.957 632 HE2 MET 82 2HE MET 82 2.193 -11.831 10.888 633 HE3 MET 82 3HE MET 82 1.992 -13.560 10.601 634 H ALA 83 H ALA 83 4.006 -11.450 3.875 635 HA ALA 83 HA ALA 83 3.385 -8.768 3.717 636 HB1 ALA 83 1HB ALA 83 4.802 -10.042 1.424 637 HB2 ALA 83 2HB ALA 83 5.170 -8.550 2.290 638 HB3 ALA 83 3HB ALA 83 5.529 -10.111 3.030 639 H ILE 84 H ILE 84 2.412 -11.390 1.572 640 HA ILE 84 HA ILE 84 1.315 -9.825 -0.489 641 HB ILE 84 HB ILE 84 0.498 -12.590 0.412 642 HG12 ILE 84 2HG1 ILE 84 2.227 -11.965 -1.959 643 HG13 ILE 84 3HG1 ILE 84 2.939 -12.047 -0.352 644 HG21 ILE 84 1HG2 ILE 84 -0.653 -10.845 -1.519 645 HG22 ILE 84 2HG2 ILE 84 0.106 -12.196 -2.361 646 HG23 ILE 84 3HG2 ILE 84 -1.106 -12.501 -1.116 647 HD11 ILE 84 1HD1 ILE 84 2.568 -14.149 -2.079 648 HD12 ILE 84 2HD1 ILE 84 2.900 -14.267 -0.350 649 HD13 ILE 84 3HD1 ILE 84 1.237 -14.323 -0.935 650 H VAL 85 H VAL 85 -0.317 -11.451 2.235 651 HA VAL 85 HA VAL 85 -2.873 -10.414 1.737 652 HB VAL 85 HB VAL 85 -1.700 -11.226 4.400 653 HG11 VAL 85 1HG1 VAL 85 -3.635 -10.262 5.083 654 HG12 VAL 85 2HG1 VAL 85 -4.414 -10.449 3.512 655 HG13 VAL 85 3HG1 VAL 85 -4.295 -11.826 4.607 656 HG21 VAL 85 1HG2 VAL 85 -2.211 -12.766 2.090 657 HG22 VAL 85 2HG2 VAL 85 -1.767 -13.332 3.700 658 HG23 VAL 85 3HG2 VAL 85 -3.467 -13.159 3.265 659 H THR 86 H THR 86 -0.220 -9.203 3.740 660 HA THR 86 HA THR 86 -1.520 -7.104 5.011 661 HB THR 86 HB THR 86 1.331 -6.988 4.022 662 HG1 THR 86 HG1 THR 86 1.356 -8.830 5.159 663 HG21 THR 86 1HG2 THR 86 -0.309 -5.406 5.866 664 HG22 THR 86 2HG2 THR 86 1.186 -4.983 5.031 665 HG23 THR 86 3HG2 THR 86 1.245 -5.908 6.531 666 H LEU 87 H LEU 87 0.024 -7.189 1.824 667 HA LEU 87 HA LEU 87 -0.331 -4.446 1.236 668 HB2 LEU 87 2HB LEU 87 0.125 -6.881 -0.460 669 HB3 LEU 87 3HB LEU 87 -0.097 -5.285 -1.173 670 HG LEU 87 HG LEU 87 2.080 -5.949 0.803 671 HD11 LEU 87 1HD1 LEU 87 3.145 -5.477 -1.753 672 HD12 LEU 87 2HD1 LEU 87 1.851 -6.657 -1.961 673 HD13 LEU 87 3HD1 LEU 87 3.166 -6.981 -0.831 674 HD21 LEU 87 1HD2 LEU 87 2.709 -3.808 0.660 675 HD22 LEU 87 2HD2 LEU 87 1.080 -3.515 0.051 676 HD23 LEU 87 3HD2 LEU 87 2.418 -3.739 -1.077 677 H LYS 88 H LYS 88 -2.262 -7.325 0.499 678 HA LYS 88 HA LYS 88 -4.213 -6.052 -1.071 679 HB2 LYS 88 2HB LYS 88 -4.545 -8.488 0.690 680 HB3 LYS 88 3HB LYS 88 -5.592 -8.022 -0.644 681 HG2 LYS 88 2HG LYS 88 -4.108 -8.703 -2.236 682 HG3 LYS 88 3HG LYS 88 -2.703 -8.416 -1.205 683 HD2 LYS 88 2HD LYS 88 -2.667 -10.567 -0.647 684 HD3 LYS 88 3HD LYS 88 -4.301 -10.434 0.006 685 HE2 LYS 88 2HE LYS 88 -5.243 -11.375 -1.816 686 HE3 LYS 88 3HE LYS 88 -4.118 -10.596 -2.928 687 HZ1 LYS 88 1HZ LYS 88 -3.081 -12.708 -1.190 688 HZ2 LYS 88 2HZ LYS 88 -2.638 -12.296 -2.770 689 HZ3 LYS 88 3HZ LYS 88 -4.058 -13.172 -2.491 690 H VAL 89 H VAL 89 -4.137 -6.783 2.405 691 HA VAL 89 HA VAL 89 -6.665 -5.772 3.053 692 HB VAL 89 HB VAL 89 -4.187 -5.822 4.783 693 HG11 VAL 89 1HG1 VAL 89 -5.398 -4.895 6.395 694 HG12 VAL 89 2HG1 VAL 89 -6.733 -4.689 5.258 695 HG13 VAL 89 3HG1 VAL 89 -6.621 -6.156 6.231 696 HG21 VAL 89 1HG2 VAL 89 -5.182 -7.987 3.680 697 HG22 VAL 89 2HG2 VAL 89 -4.675 -7.988 5.369 698 HG23 VAL 89 3HG2 VAL 89 -6.384 -7.829 4.960 699 H PHE 90 H PHE 90 -3.488 -4.178 3.350 700 HA PHE 90 HA PHE 90 -4.503 -1.668 4.111 701 HB2 PHE 90 2HB PHE 90 -2.196 -2.159 4.527 702 HB3 PHE 90 3HB PHE 90 -1.892 -2.464 2.820 703 HD1 PHE 90 HD1 PHE 90 -1.710 -0.622 1.239 704 HD2 PHE 90 HD2 PHE 90 -2.300 0.075 5.397 705 HE1 PHE 90 HE1 PHE 90 -1.045 1.727 0.936 706 HE2 PHE 90 HE2 PHE 90 -1.637 2.426 5.100 707 HZ PHE 90 HZ PHE 90 -1.009 3.255 2.868 708 H ALA 91 H ALA 91 -4.070 -3.176 1.004 709 HA ALA 91 HA ALA 91 -4.154 -0.893 -0.632 710 HB1 ALA 91 1HB ALA 91 -3.453 -2.995 -1.543 711 HB2 ALA 91 2HB ALA 91 -5.016 -3.727 -1.181 712 HB3 ALA 91 3HB ALA 91 -4.897 -2.468 -2.410 713 H VAL 92 H VAL 92 -6.792 -3.168 0.158 714 HA VAL 92 HA VAL 92 -8.806 -1.472 -0.943 715 HB VAL 92 HB VAL 92 -9.141 -3.881 -0.863 716 HG11 VAL 92 1HG1 VAL 92 -9.623 -3.873 2.066 717 HG12 VAL 92 2HG1 VAL 92 -9.069 -5.175 1.010 718 HG13 VAL 92 3HG1 VAL 92 -7.950 -3.906 1.508 719 HG21 VAL 92 1HG2 VAL 92 -11.215 -3.000 1.046 720 HG22 VAL 92 2HG2 VAL 92 -11.022 -2.020 -0.407 721 HG23 VAL 92 3HG2 VAL 92 -11.378 -3.742 -0.545 722 H ALA 93 H ALA 93 -7.669 -2.171 2.333 723 HA ALA 93 HA ALA 93 -9.635 -0.610 3.661 724 HB1 ALA 93 1HB ALA 93 -6.909 -1.490 4.604 725 HB2 ALA 93 2HB ALA 93 -8.184 -0.824 5.625 726 HB3 ALA 93 3HB ALA 93 -8.422 -2.372 4.813 727 H GLY 94 H GLY 94 -6.913 0.232 1.824 728 HA2 GLY 94 2HA GLY 94 -6.709 2.862 3.138 729 HA3 GLY 94 3HA GLY 94 -5.479 2.153 2.103 730 H LEU 95 H LEU 95 -6.334 1.668 -0.200 731 HA LEU 95 HA LEU 95 -6.966 4.106 -1.415 732 HB2 LEU 95 2HB LEU 95 -7.047 1.266 -2.382 733 HB3 LEU 95 3HB LEU 95 -7.497 2.612 -3.427 734 HG LEU 95 HG LEU 95 -5.243 2.012 -3.922 735 HD11 LEU 95 1HD1 LEU 95 -4.445 4.109 -3.988 736 HD12 LEU 95 2HD1 LEU 95 -4.602 4.336 -2.246 737 HD13 LEU 95 3HD1 LEU 95 -6.009 4.531 -3.292 738 HD21 LEU 95 1HD2 LEU 95 -4.809 0.836 -1.778 739 HD22 LEU 95 2HD2 LEU 95 -4.585 2.406 -1.007 740 HD23 LEU 95 3HD2 LEU 95 -3.489 1.888 -2.289 741 H LEU 96 H LEU 96 -8.998 1.477 -0.316 742 HA LEU 96 HA LEU 96 -11.370 2.860 -1.361 743 HB2 LEU 96 2HB LEU 96 -10.630 0.099 -1.083 744 HB3 LEU 96 3HB LEU 96 -12.121 0.416 -0.198 745 HG LEU 96 HG LEU 96 -11.945 1.403 -2.994 746 HD11 LEU 96 1HD1 LEU 96 -10.985 -0.890 -3.054 747 HD12 LEU 96 2HD1 LEU 96 -12.502 -0.726 -3.939 748 HD13 LEU 96 3HD1 LEU 96 -12.487 -1.490 -2.350 749 HD21 LEU 96 1HD2 LEU 96 -14.252 1.147 -2.966 750 HD22 LEU 96 2HD2 LEU 96 -13.889 1.638 -1.311 751 HD23 LEU 96 3HD2 LEU 96 -14.204 -0.058 -1.679 752 H ASN 97 H ASN 97 -9.566 2.711 1.379 753 HA ASN 97 HA ASN 97 -9.919 3.143 3.590 754 HB2 ASN 97 2HB ASN 97 -12.080 4.714 2.215 755 HB3 ASN 97 3HB ASN 97 -11.945 4.728 3.971 756 HD21 ASN 97 1HD2 ASN 97 -11.128 6.353 1.279 757 HD22 ASN 97 2HD2 ASN 97 -9.709 7.168 1.832 758 H MET 98 H MET 98 -11.098 0.697 2.515 759 HA MET 98 HA MET 98 -13.418 0.389 4.301 760 HB2 MET 98 2HB MET 98 -12.654 -0.870 1.710 761 HB3 MET 98 3HB MET 98 -13.568 -1.839 2.858 762 HG2 MET 98 2HG MET 98 -14.902 0.592 2.786 763 HG3 MET 98 3HG MET 98 -14.449 0.282 1.112 764 HE1 MET 98 1HE MET 98 -18.126 -0.456 2.485 765 HE2 MET 98 2HE MET 98 -17.361 -1.240 3.867 766 HE3 MET 98 3HE MET 98 -16.831 0.364 3.357 767 H THR 99 H THR 99 -11.981 0.169 6.129 768 HA THR 99 HA THR 99 -9.933 -1.665 6.419 769 HB THR 99 HB THR 99 -10.254 -0.102 8.173 770 HG1 THR 99 HG1 THR 99 -9.686 -1.554 9.594 771 HG21 THR 99 1HG2 THR 99 -12.512 -0.800 9.603 772 HG22 THR 99 2HG2 THR 99 -13.045 -0.898 7.926 773 HG23 THR 99 3HG2 THR 99 -12.349 0.600 8.544 774 H VAL 100 H VAL 100 -10.145 -3.706 5.680 775 HA VAL 100 HA VAL 100 -12.441 -5.280 5.702 776 HB VAL 100 HB VAL 100 -11.015 -7.189 5.293 777 HG11 VAL 100 1HG1 VAL 100 -9.503 -5.038 3.904 778 HG12 VAL 100 2HG1 VAL 100 -10.227 -6.514 3.258 779 HG13 VAL 100 3HG1 VAL 100 -11.246 -5.127 3.650 780 HG21 VAL 100 1HG2 VAL 100 -8.425 -6.477 5.303 781 HG22 VAL 100 2HG2 VAL 100 -9.005 -5.508 6.657 782 HG23 VAL 100 3HG2 VAL 100 -9.220 -7.258 6.669 783 H SER 101 H SER 101 -12.836 -7.266 6.948 784 HA SER 101 HA SER 101 -12.748 -6.719 9.758 785 HB2 SER 101 2HB SER 101 -13.654 -9.254 8.377 786 HB3 SER 101 3HB SER 101 -14.065 -8.733 10.011 787 HG SER 101 HG SER 101 -15.430 -8.247 7.872 788 H THR 102 H THR 102 -11.231 -9.094 7.615 789 HA THR 102 HA THR 102 -9.143 -9.500 9.620 790 HB THR 102 HB THR 102 -9.226 -11.874 9.565 791 HG1 THR 102 HG1 THR 102 -10.773 -12.960 8.215 792 HG21 THR 102 1HG2 THR 102 -10.849 -10.878 11.086 793 HG22 THR 102 2HG2 THR 102 -11.483 -12.377 10.410 794 HG23 THR 102 3HG2 THR 102 -12.049 -10.825 9.795 795 H ALA 103 H ALA 103 -7.171 -10.323 8.767 796 HA ALA 103 HA ALA 103 -6.364 -9.279 6.343 797 HB1 ALA 103 1HB ALA 103 -4.486 -9.785 7.445 798 HB2 ALA 103 2HB ALA 103 -5.244 -11.120 8.312 799 HB3 ALA 103 3HB ALA 103 -4.629 -11.367 6.678 800 H ALA 104 H ALA 104 -7.607 -12.505 7.057 801 HA ALA 104 HA ALA 104 -7.099 -13.636 4.517 802 HB1 ALA 104 1HB ALA 104 -8.393 -14.424 6.959 803 HB2 ALA 104 2HB ALA 104 -9.354 -14.918 5.564 804 HB3 ALA 104 3HB ALA 104 -7.670 -15.425 5.700 805 H ALA 105 H ALA 105 -9.864 -11.896 5.856 806 HA ALA 105 HA ALA 105 -11.678 -12.331 3.769 807 HB1 ALA 105 1HB ALA 105 -11.631 -10.859 6.150 808 HB2 ALA 105 2HB ALA 105 -11.998 -9.698 4.873 809 HB3 ALA 105 3HB ALA 105 -13.008 -11.130 5.080 810 H ALA 106 H ALA 106 -9.215 -9.828 4.210 811 HA ALA 106 HA ALA 106 -9.889 -8.283 1.950 812 HB1 ALA 106 1HB ALA 106 -8.194 -6.967 2.593 813 HB2 ALA 106 2HB ALA 106 -8.137 -8.005 4.019 814 HB3 ALA 106 3HB ALA 106 -7.050 -8.308 2.664 815 H GLU 107 H GLU 107 -7.321 -10.720 2.394 816 HA GLU 107 HA GLU 107 -6.322 -10.710 -0.193 817 HB2 GLU 107 2HB GLU 107 -5.134 -11.876 1.523 818 HB3 GLU 107 3HB GLU 107 -6.502 -12.936 1.834 819 HG2 GLU 107 2HG GLU 107 -5.701 -13.130 -0.915 820 HG3 GLU 107 3HG GLU 107 -4.324 -13.405 0.150 821 H ASN 108 H ASN 108 -8.984 -12.611 1.170 822 HA ASN 108 HA ASN 108 -9.515 -14.077 -1.201 823 HB2 ASN 108 2HB ASN 108 -10.255 -14.512 1.277 824 HB3 ASN 108 3HB ASN 108 -11.639 -13.515 0.838 825 HD21 ASN 108 1HD2 ASN 108 -13.186 -14.319 -0.504 826 HD22 ASN 108 2HD2 ASN 108 -13.220 -15.959 -1.044 827 H MET 109 H MET 109 -10.647 -11.009 0.071 828 HA MET 109 HA MET 109 -12.822 -10.631 -1.677 829 HB2 MET 109 2HB MET 109 -11.253 -8.986 0.182 830 HB3 MET 109 3HB MET 109 -11.932 -8.089 -1.169 831 HG2 MET 109 2HG MET 109 -14.125 -9.349 -0.520 832 HG3 MET 109 3HG MET 109 -13.315 -9.538 1.033 833 HE1 MET 109 1HE MET 109 -15.781 -7.104 1.996 834 HE2 MET 109 2HE MET 109 -16.211 -7.026 0.288 835 HE3 MET 109 3HE MET 109 -15.801 -8.576 1.024 836 H TYR 110 H TYR 110 -9.447 -9.521 -1.882 837 HA TYR 110 HA TYR 110 -9.677 -8.184 -4.333 838 HB2 TYR 110 2HB TYR 110 -7.542 -9.020 -2.558 839 HB3 TYR 110 3HB TYR 110 -7.072 -9.198 -4.245 840 HD1 TYR 110 HD1 TYR 110 -9.279 -6.633 -2.692 841 HD2 TYR 110 HD2 TYR 110 -5.571 -7.450 -4.611 842 HE1 TYR 110 HE1 TYR 110 -8.816 -4.220 -2.812 843 HE2 TYR 110 HE2 TYR 110 -5.097 -5.039 -4.736 844 HH TYR 110 HH TYR 110 -5.762 -3.000 -4.141 845 H SER 111 H SER 111 -8.573 -11.496 -3.637 846 HA SER 111 HA SER 111 -8.123 -12.257 -6.300 847 HB2 SER 111 2HB SER 111 -7.352 -13.482 -4.226 848 HB3 SER 111 3HB SER 111 -8.994 -14.106 -4.072 849 HG SER 111 HG SER 111 -8.699 -15.361 -5.777 850 H GLN 112 H GLN 112 -10.982 -12.646 -4.230 851 HA GLN 112 HA GLN 112 -12.575 -14.066 -6.025 852 HB2 GLN 112 2HB GLN 112 -13.130 -13.758 -3.647 853 HB3 GLN 112 3HB GLN 112 -13.451 -12.054 -3.945 854 HG2 GLN 112 2HG GLN 112 -14.957 -13.841 -5.687 855 HG3 GLN 112 3HG GLN 112 -15.305 -14.062 -3.974 856 HE21 GLN 112 1HE2 GLN 112 -16.253 -12.472 -6.651 857 HE22 GLN 112 2HE2 GLN 112 -16.996 -11.086 -5.935 858 H MET 113 H MET 113 -11.896 -10.638 -5.781 859 HA MET 113 HA MET 113 -13.933 -9.865 -7.654 860 HB2 MET 113 2HB MET 113 -12.025 -8.542 -5.925 861 HB3 MET 113 3HB MET 113 -12.031 -7.816 -7.527 862 HG2 MET 113 2HG MET 113 -14.031 -6.878 -7.223 863 HG3 MET 113 3HG MET 113 -14.698 -8.323 -6.466 864 HE1 MET 113 1HE MET 113 -12.584 -5.330 -6.278 865 HE2 MET 113 2HE MET 113 -12.926 -4.613 -4.702 866 HE3 MET 113 3HE MET 113 -11.623 -5.791 -4.872 867 H GLY 114 H GLY 114 -10.626 -10.890 -7.818 868 HA2 GLY 114 2HA GLY 114 -9.860 -11.785 -9.949 869 HA3 GLY 114 3HA GLY 114 -10.700 -10.458 -10.737 870 H LEU 115 H LEU 115 -8.861 -9.912 -7.839 871 HA LEU 115 HA LEU 115 -6.994 -8.274 -9.392 872 HB2 LEU 115 2HB LEU 115 -7.754 -8.333 -6.486 873 HB3 LEU 115 3HB LEU 115 -6.361 -7.428 -7.073 874 HG LEU 115 HG LEU 115 -8.650 -6.707 -8.622 875 HD11 LEU 115 1HD1 LEU 115 -10.209 -5.976 -7.067 876 HD12 LEU 115 2HD1 LEU 115 -9.081 -6.119 -5.719 877 HD13 LEU 115 3HD1 LEU 115 -9.757 -7.569 -6.460 878 HD21 LEU 115 1HD2 LEU 115 -6.681 -5.395 -6.809 879 HD22 LEU 115 2HD2 LEU 115 -8.108 -4.494 -7.321 880 HD23 LEU 115 3HD2 LEU 115 -6.987 -5.130 -8.526 881 H ASP 116 H ASP 116 -7.007 -10.734 -6.831 882 HA ASP 116 HA ASP 116 -4.203 -11.000 -6.650 883 HB2 ASP 116 2HB ASP 116 -6.102 -11.853 -5.067 884 HB3 ASP 116 3HB ASP 116 -6.057 -13.289 -6.088 885 H THR 117 H THR 117 -6.550 -12.277 -8.857 886 HA THR 117 HA THR 117 -6.382 -13.562 -10.728 887 HB THR 117 HB THR 117 -3.403 -13.100 -10.627 888 HG1 THR 117 HG1 THR 117 -5.463 -11.366 -11.565 889 HG21 THR 117 1HG2 THR 117 -3.373 -13.915 -12.708 890 HG22 THR 117 2HG2 THR 117 -4.750 -12.923 -13.191 891 HG23 THR 117 3HG2 THR 117 -5.016 -14.481 -12.412 892 H ARG 118 H ARG 118 -6.964 -15.396 -9.375 893 HA ARG 118 HA ARG 118 -4.908 -17.460 -9.489 894 HB2 ARG 118 2HB ARG 118 -6.166 -16.432 -6.991 895 HB3 ARG 118 3HB ARG 118 -5.893 -18.165 -7.121 896 HG2 ARG 118 2HG ARG 118 -3.587 -16.535 -7.880 897 HG3 ARG 118 3HG ARG 118 -4.086 -16.354 -6.196 898 HD2 ARG 118 2HD ARG 118 -2.459 -18.121 -6.352 899 HD3 ARG 118 3HD ARG 118 -4.032 -18.816 -5.960 900 HE ARG 118 HE ARG 118 -3.962 -19.964 -7.932 901 HH11 ARG 118 1HH1 ARG 118 -1.675 -17.343 -8.079 902 HH12 ARG 118 2HH1 ARG 118 -1.006 -17.839 -9.598 903 HH21 ARG 118 1HH2 ARG 118 -3.090 -20.627 -9.932 904 HH22 ARG 118 2HH2 ARG 118 -1.813 -19.707 -10.653 905 HA PRO 119 HA PRO 119 -9.165 -18.769 -10.871 906 HB2 PRO 119 2HB PRO 119 -8.353 -19.763 -13.264 907 HB3 PRO 119 3HB PRO 119 -8.794 -18.068 -13.027 908 HG2 PRO 119 2HG PRO 119 -6.079 -19.325 -13.108 909 HG3 PRO 119 3HG PRO 119 -6.635 -17.814 -13.851 910 HD2 PRO 119 2HD PRO 119 -5.223 -17.867 -11.541 911 HD3 PRO 119 3HD PRO 119 -6.450 -16.629 -11.883 912 H21 MYR 201 1H2 MYR 1 5.714 13.282 4.696 913 H22 MYR 201 2H2 MYR 1 6.718 11.891 4.336 914 H31 MYR 201 1H3 MYR 1 5.451 11.735 2.030 915 H32 MYR 201 2H3 MYR 1 4.361 12.981 2.640 916 H41 MYR 201 1H4 MYR 1 3.341 11.549 4.209 917 H42 MYR 201 2H4 MYR 1 4.805 10.600 4.480 918 H51 MYR 201 1H5 MYR 1 3.999 10.232 1.684 919 H52 MYR 201 2H5 MYR 1 2.568 10.017 2.694 920 H61 MYR 201 1H6 MYR 1 4.110 8.462 4.203 921 H62 MYR 201 2H6 MYR 1 5.229 8.471 2.837 922 H71 MYR 201 1H7 MYR 1 2.254 7.655 2.598 923 H72 MYR 201 2H7 MYR 1 3.558 6.501 2.888 924 H81 MYR 201 1H8 MYR 1 4.636 7.045 0.726 925 H82 MYR 201 2H8 MYR 1 3.559 8.420 0.465 926 H91 MYR 201 1H9 MYR 1 2.748 6.564 -0.914 927 H92 MYR 201 2H9 MYR 1 1.567 6.833 0.367 928 H101 MYR 201 1H10 MYR 1 3.184 4.981 1.633 929 H102 MYR 201 2H10 MYR 1 3.467 4.483 -0.027 930 H111 MYR 201 1H11 MYR 1 0.753 4.570 -0.175 931 H112 MYR 201 2H11 MYR 1 0.864 4.508 1.576 932 H121 MYR 201 1H12 MYR 1 1.088 2.248 1.503 933 H122 MYR 201 2H12 MYR 1 2.640 2.429 0.685 934 H131 MYR 201 1H13 MYR 1 1.632 2.287 -1.532 935 H132 MYR 201 2H13 MYR 1 0.005 2.568 -0.907 936 H141 MYR 201 1H14 MYR 1 -0.311 0.301 -0.494 937 H142 MYR 201 2H14 MYR 1 1.206 0.021 -1.381 938 H143 MYR 201 3H14 MYR 1 1.231 0.170 0.391
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