NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504897 | 2ene | 10173 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 13.189 -8.630 6.889 2 HA2 GLY 1 1HA GLY 1 13.093 -5.867 7.037 3 HA3 GLY 1 2HA GLY 1 14.586 -6.251 6.195 4 H SER 2 H SER 2 14.299 -5.913 4.097 5 HA SER 2 HA SER 2 11.703 -6.338 2.872 6 HB2 SER 2 1HB SER 2 14.287 -5.100 1.984 7 HB3 SER 2 2HB SER 2 13.082 -5.565 0.783 8 HG SER 2 HG SER 2 11.612 -4.190 1.769 9 H SER 3 H SER 3 11.625 -8.642 3.139 10 HA SER 3 HA SER 3 13.414 -10.125 1.333 11 HB2 SER 3 1HB SER 3 13.336 -10.757 3.798 12 HB3 SER 3 2HB SER 3 11.692 -11.324 3.505 13 HG SER 3 HG SER 3 14.053 -12.242 2.222 14 H GLY 4 H GLY 4 12.235 -9.683 -0.559 15 HA2 GLY 4 1HA GLY 4 10.628 -11.418 -1.691 16 HA3 GLY 4 2HA GLY 4 9.458 -10.612 -0.656 17 H SER 5 H SER 5 11.057 -10.563 -3.636 18 HA SER 5 HA SER 5 11.122 -7.874 -4.316 19 HB2 SER 5 1HB SER 5 11.086 -8.590 -6.628 20 HB3 SER 5 2HB SER 5 12.037 -9.747 -5.697 21 HG SER 5 HG SER 5 10.407 -10.610 -7.222 22 H SER 6 H SER 6 8.443 -10.181 -4.556 23 HA SER 6 HA SER 6 6.596 -7.905 -4.715 24 HB2 SER 6 1HB SER 6 7.082 -9.157 -6.971 25 HB3 SER 6 2HB SER 6 6.009 -10.383 -6.298 26 HG SER 6 HG SER 6 5.438 -7.678 -6.891 27 H GLY 7 H GLY 7 5.092 -8.008 -3.187 28 HA2 GLY 7 1HA GLY 7 4.559 -10.633 -1.946 29 HA3 GLY 7 2HA GLY 7 4.448 -9.094 -1.105 30 H THR 8 H THR 8 2.509 -11.366 -1.682 31 HA THR 8 HA THR 8 0.344 -9.677 -2.756 32 HB THR 8 HB THR 8 0.928 -11.536 -4.298 33 HG1 THR 8 HG1 THR 8 -1.133 -11.250 -4.686 34 HG21 THR 8 3HG2 THR 8 -0.300 -13.539 -2.502 35 HG22 THR 8 1HG2 THR 8 1.346 -13.043 -2.110 36 HG23 THR 8 2HG2 THR 8 0.984 -13.723 -3.696 37 H GLY 9 H GLY 9 -1.217 -9.254 -1.343 38 HA2 GLY 9 1HA GLY 9 -1.569 -11.110 0.931 39 HA3 GLY 9 2HA GLY 9 -1.764 -9.368 1.061 40 H GLU 10 H GLU 10 -3.837 -10.384 2.033 41 HA GLU 10 HA GLU 10 -5.810 -11.086 0.012 42 HB2 GLU 10 1HB GLU 10 -5.888 -10.988 3.025 43 HB3 GLU 10 2HB GLU 10 -7.322 -11.285 2.053 44 HG2 GLU 10 1HG GLU 10 -6.576 -13.348 1.335 45 HG3 GLU 10 2HG GLU 10 -4.887 -12.968 1.672 46 H LYS 11 H LYS 11 -4.576 -8.292 1.260 47 HA LYS 11 HA LYS 11 -7.101 -6.836 0.818 48 HB2 LYS 11 1HB LYS 11 -4.812 -5.788 2.469 49 HB3 LYS 11 2HB LYS 11 -6.478 -5.224 2.430 50 HG2 LYS 11 1HG LYS 11 -5.672 -7.936 3.450 51 HG3 LYS 11 2HG LYS 11 -5.822 -6.508 4.477 52 HD2 LYS 11 1HD LYS 11 -8.060 -7.484 2.717 53 HD3 LYS 11 2HD LYS 11 -7.837 -8.051 4.373 54 HE2 LYS 11 1HE LYS 11 -9.260 -6.315 4.766 55 HE3 LYS 11 2HE LYS 11 -7.728 -5.449 4.856 56 HZ1 LYS 11 3HZ LYS 11 -9.726 -4.637 3.348 57 HZ2 LYS 11 1HZ LYS 11 -8.976 -5.662 2.229 58 HZ3 LYS 11 2HZ LYS 11 -8.111 -4.381 2.915 59 HA PRO 12 HA PRO 12 -5.132 -4.822 -2.564 60 HB2 PRO 12 1HB PRO 12 -6.652 -2.575 -2.675 61 HB3 PRO 12 2HB PRO 12 -7.237 -4.158 -3.201 62 HG2 PRO 12 1HG PRO 12 -7.711 -2.726 -0.615 63 HG3 PRO 12 2HG PRO 12 -8.858 -3.631 -1.619 64 HD2 PRO 12 1HD PRO 12 -7.727 -4.681 0.605 65 HD3 PRO 12 2HD PRO 12 -8.158 -5.670 -0.805 66 H TYR 13 H TYR 13 -5.181 -3.554 0.607 67 HA TYR 13 HA TYR 13 -3.199 -1.504 -0.142 68 HB2 TYR 13 1HB TYR 13 -4.996 -1.498 2.291 69 HB3 TYR 13 2HB TYR 13 -3.883 -0.223 1.805 70 HD1 TYR 13 HD1 TYR 13 -4.405 1.227 -0.096 71 HD2 TYR 13 HD2 TYR 13 -7.133 -1.769 1.203 72 HE1 TYR 13 HE1 TYR 13 -6.193 2.297 -1.403 73 HE2 TYR 13 HE2 TYR 13 -8.928 -0.708 -0.101 74 HH TYR 13 HH TYR 13 -8.906 0.892 -2.302 75 H LYS 14 H LYS 14 -1.242 -2.312 0.249 76 HA LYS 14 HA LYS 14 -0.690 -3.368 2.922 77 HB2 LYS 14 1HB LYS 14 -0.968 -5.370 1.636 78 HB3 LYS 14 2HB LYS 14 0.015 -4.733 0.324 79 HG2 LYS 14 1HG LYS 14 1.838 -4.619 2.242 80 HG3 LYS 14 2HG LYS 14 0.837 -5.905 2.918 81 HD2 LYS 14 1HD LYS 14 0.998 -7.037 0.659 82 HD3 LYS 14 2HD LYS 14 2.242 -5.851 0.255 83 HE2 LYS 14 1HE LYS 14 3.606 -6.605 2.106 84 HE3 LYS 14 2HE LYS 14 2.341 -7.718 2.623 85 HZ1 LYS 14 3HZ LYS 14 4.201 -7.931 0.377 86 HZ2 LYS 14 1HZ LYS 14 2.652 -8.580 0.172 87 HZ3 LYS 14 2HZ LYS 14 3.639 -9.129 1.432 88 H CYS 15 H CYS 15 1.162 -2.624 3.775 89 HA CYS 15 HA CYS 15 2.615 -0.591 2.412 90 HB2 CYS 15 1HB CYS 15 2.222 -0.682 4.893 91 HB3 CYS 15 2HB CYS 15 3.390 -1.998 4.972 92 H ASN 16 H ASN 16 4.767 -0.580 1.726 93 HA ASN 16 HA ASN 16 5.810 -3.236 1.031 94 HB2 ASN 16 1HB ASN 16 5.930 -0.555 -0.255 95 HB3 ASN 16 2HB ASN 16 7.320 -1.615 -0.470 96 HD21 ASN 16 1HD2 ASN 16 6.882 -3.781 -1.305 97 HD22 ASN 16 2HD2 ASN 16 5.595 -3.986 -2.440 98 H GLU 17 H GLU 17 6.569 -0.274 2.710 99 HA GLU 17 HA GLU 17 9.337 -0.610 3.009 100 HB2 GLU 17 1HB GLU 17 7.381 0.713 4.897 101 HB3 GLU 17 2HB GLU 17 9.127 0.913 4.933 102 HG2 GLU 17 1HG GLU 17 7.261 1.765 2.733 103 HG3 GLU 17 2HG GLU 17 8.113 2.812 3.867 104 H CYS 18 H CYS 18 6.699 -1.478 5.244 105 HA CYS 18 HA CYS 18 8.568 -3.190 6.716 106 HB2 CYS 18 1HB CYS 18 6.840 -3.248 8.466 107 HB3 CYS 18 2HB CYS 18 7.288 -1.595 8.058 108 H GLY 19 H GLY 19 5.451 -3.265 5.041 109 HA2 GLY 19 1HA GLY 19 5.056 -5.253 3.638 110 HA3 GLY 19 2HA GLY 19 5.679 -6.211 4.974 111 H LYS 20 H LYS 20 4.197 -4.385 6.875 112 HA LYS 20 HA LYS 20 2.036 -5.933 7.473 113 HB2 LYS 20 1HB LYS 20 2.613 -3.031 7.931 114 HB3 LYS 20 2HB LYS 20 1.048 -3.683 8.398 115 HG2 LYS 20 1HG LYS 20 1.955 -5.049 10.028 116 HG3 LYS 20 2HG LYS 20 3.561 -5.027 9.296 117 HD2 LYS 20 1HD LYS 20 3.362 -2.438 9.832 118 HD3 LYS 20 2HD LYS 20 2.241 -3.030 11.061 119 HE2 LYS 20 1HE LYS 20 4.158 -4.703 11.611 120 HE3 LYS 20 2HE LYS 20 5.173 -3.540 10.760 121 HZ1 LYS 20 3HZ LYS 20 3.902 -1.893 12.365 122 HZ2 LYS 20 1HZ LYS 20 5.313 -2.697 12.842 123 HZ3 LYS 20 2HZ LYS 20 3.801 -3.283 13.323 124 H VAL 21 H VAL 21 -0.273 -5.617 7.222 125 HA VAL 21 HA VAL 21 -0.976 -4.353 4.652 126 HB VAL 21 HB VAL 21 -2.333 -6.787 5.807 127 HG11 VAL 21 1HG1 VAL 21 -3.624 -6.834 3.931 128 HG12 VAL 21 2HG1 VAL 21 -3.357 -5.093 4.041 129 HG13 VAL 21 3HG1 VAL 21 -2.393 -6.065 2.929 130 HG21 VAL 21 3HG2 VAL 21 -0.733 -8.105 5.004 131 HG22 VAL 21 1HG2 VAL 21 -0.832 -7.327 3.424 132 HG23 VAL 21 2HG2 VAL 21 0.231 -6.668 4.666 133 H PHE 22 H PHE 22 -2.940 -3.278 4.514 134 HA PHE 22 HA PHE 22 -4.414 -2.935 7.039 135 HB2 PHE 22 1HB PHE 22 -3.783 -0.735 5.061 136 HB3 PHE 22 2HB PHE 22 -4.665 -0.559 6.575 137 HD1 PHE 22 HD1 PHE 22 -1.360 -1.606 5.230 138 HD2 PHE 22 HD2 PHE 22 -3.534 0.024 8.506 139 HE1 PHE 22 HE1 PHE 22 0.755 -1.149 6.401 140 HE2 PHE 22 HE2 PHE 22 -1.423 0.485 9.682 141 HZ PHE 22 HZ PHE 22 0.725 -0.101 8.630 142 H ARG 23 H ARG 23 -6.586 -1.808 6.604 143 HA ARG 23 HA ARG 23 -7.893 -3.289 4.461 144 HB2 ARG 23 1HB ARG 23 -8.793 -1.955 6.973 145 HB3 ARG 23 2HB ARG 23 -9.958 -2.150 5.670 146 HG2 ARG 23 1HG ARG 23 -9.770 -4.508 5.730 147 HG3 ARG 23 2HG ARG 23 -8.352 -4.434 6.778 148 HD2 ARG 23 1HD ARG 23 -10.175 -5.029 8.164 149 HD3 ARG 23 2HD ARG 23 -9.830 -3.332 8.499 150 HE ARG 23 HE ARG 23 -11.740 -3.150 6.630 151 HH11 ARG 23 1HH1 ARG 23 -11.519 -5.045 9.542 152 HH12 ARG 23 2HH1 ARG 23 -13.229 -5.057 9.820 153 HH21 ARG 23 1HH2 ARG 23 -13.993 -3.158 6.985 154 HH22 ARG 23 2HH2 ARG 23 -14.635 -3.984 8.365 155 H HIS 24 H HIS 24 -7.832 0.054 5.696 156 HA HIS 24 HA HIS 24 -8.747 0.969 3.055 157 HB2 HIS 24 1HB HIS 24 -9.988 1.554 5.269 158 HB3 HIS 24 2HB HIS 24 -8.681 2.711 5.499 159 HD1 HIS 24 HD1 HIS 24 -9.266 4.959 4.684 160 HD2 HIS 24 HD2 HIS 24 -11.162 1.990 2.481 161 HE1 HIS 24 HE1 HIS 24 -10.669 6.173 2.987 162 H ASN 25 H ASN 25 -7.737 2.792 2.082 163 HA ASN 25 HA ASN 25 -4.934 2.750 2.160 164 HB2 ASN 25 1HB ASN 25 -5.693 3.528 0.134 165 HB3 ASN 25 2HB ASN 25 -6.992 4.470 0.861 166 HD21 ASN 25 1HD2 ASN 25 -3.611 4.390 0.051 167 HD22 ASN 25 2HD2 ASN 25 -3.321 6.083 0.237 168 H SER 26 H SER 26 -7.237 5.145 3.429 169 HA SER 26 HA SER 26 -5.660 7.107 4.376 170 HB2 SER 26 1HB SER 26 -7.931 5.779 5.872 171 HB3 SER 26 2HB SER 26 -7.235 7.342 6.300 172 HG SER 26 HG SER 26 -7.971 8.185 4.390 173 H TYR 27 H TYR 27 -6.229 4.034 6.076 174 HA TYR 27 HA TYR 27 -4.517 4.590 8.250 175 HB2 TYR 27 1HB TYR 27 -5.245 1.864 7.168 176 HB3 TYR 27 2HB TYR 27 -4.722 2.250 8.803 177 HD1 TYR 27 HD2 TYR 27 -6.316 4.481 9.613 178 HD2 TYR 27 HD1 TYR 27 -7.442 1.160 7.204 179 HE1 TYR 27 HE2 TYR 27 -8.659 4.789 10.293 180 HE2 TYR 27 HE1 TYR 27 -9.788 1.459 7.877 181 HH TYR 27 HH TYR 27 -10.715 3.875 10.282 182 H LEU 28 H LEU 28 -3.973 3.229 5.073 183 HA LEU 28 HA LEU 28 -1.364 2.220 5.590 184 HB2 LEU 28 1HB LEU 28 -2.517 1.307 3.749 185 HB3 LEU 28 2HB LEU 28 -2.866 2.900 3.079 186 HG LEU 28 HG LEU 28 -0.523 3.172 2.469 187 HD11 LEU 28 1HD1 LEU 28 0.352 1.773 4.360 188 HD12 LEU 28 2HD1 LEU 28 1.113 1.483 2.796 189 HD13 LEU 28 3HD1 LEU 28 -0.087 0.349 3.416 190 HD21 LEU 28 3HD2 LEU 28 -1.492 2.303 0.625 191 HD22 LEU 28 1HD2 LEU 28 -2.168 0.926 1.495 192 HD23 LEU 28 2HD2 LEU 28 -0.473 0.916 1.009 193 H SER 29 H SER 29 -2.476 5.112 3.821 194 HA SER 29 HA SER 29 0.011 6.236 3.326 195 HB2 SER 29 1HB SER 29 -2.287 6.981 2.467 196 HB3 SER 29 2HB SER 29 -2.430 7.888 3.972 197 HG SER 29 HG SER 29 -0.387 8.886 3.365 198 H ARG 30 H ARG 30 -2.166 6.841 6.078 199 HA ARG 30 HA ARG 30 -0.508 8.651 7.428 200 HB2 ARG 30 1HB ARG 30 -1.928 8.361 9.299 201 HB3 ARG 30 2HB ARG 30 -2.952 8.145 7.885 202 HG2 ARG 30 1HG ARG 30 -2.818 5.724 8.148 203 HG3 ARG 30 2HG ARG 30 -1.779 5.934 9.560 204 HD2 ARG 30 1HD ARG 30 -4.640 6.840 9.266 205 HD3 ARG 30 2HD ARG 30 -4.050 5.519 10.273 206 HE ARG 30 HE ARG 30 -2.708 7.808 11.077 207 HH11 ARG 30 1HH1 ARG 30 -5.985 6.638 10.969 208 HH12 ARG 30 2HH1 ARG 30 -6.496 7.553 12.348 209 HH21 ARG 30 1HH2 ARG 30 -3.369 9.018 12.895 210 HH22 ARG 30 2HH2 ARG 30 -5.007 8.907 13.442 211 H HIS 31 H HIS 31 -0.663 5.131 7.501 212 HA HIS 31 HA HIS 31 1.098 4.761 9.683 213 HB2 HIS 31 1HB HIS 31 -0.126 2.854 9.229 214 HB3 HIS 31 2HB HIS 31 0.049 3.029 7.485 215 HD1 HIS 31 HD1 HIS 31 2.071 1.981 10.512 216 HD2 HIS 31 HD2 HIS 31 2.047 1.531 6.382 217 HE1 HIS 31 HE1 HIS 31 3.871 0.298 10.009 218 H GLN 32 H GLN 32 1.683 4.320 6.189 219 HA GLN 32 HA GLN 32 4.316 3.784 6.105 220 HB2 GLN 32 1HB GLN 32 2.756 5.686 4.362 221 HB3 GLN 32 2HB GLN 32 4.417 5.227 4.011 222 HG2 GLN 32 1HG GLN 32 3.644 2.836 4.024 223 HG3 GLN 32 2HG GLN 32 1.994 3.454 4.091 224 HE21 GLN 32 1HE2 GLN 32 4.630 2.691 2.113 225 HE22 GLN 32 2HE2 GLN 32 3.997 3.288 0.621 226 H ARG 33 H ARG 33 2.901 6.763 7.164 227 HA ARG 33 HA ARG 33 4.915 8.599 6.877 228 HB2 ARG 33 1HB ARG 33 3.204 8.246 9.345 229 HB3 ARG 33 2HB ARG 33 4.035 9.717 8.859 230 HG2 ARG 33 1HG ARG 33 1.947 8.408 7.145 231 HG3 ARG 33 2HG ARG 33 1.554 9.599 8.388 232 HD2 ARG 33 1HD ARG 33 3.583 10.146 6.242 233 HD3 ARG 33 2HD ARG 33 1.862 10.440 5.993 234 HE ARG 33 HE ARG 33 2.688 11.679 8.380 235 HH11 ARG 33 1HH1 ARG 33 3.031 11.974 4.928 236 HH12 ARG 33 2HH1 ARG 33 3.270 13.689 4.967 237 HH21 ARG 33 1HH2 ARG 33 3.002 13.938 8.445 238 HH22 ARG 33 2HH2 ARG 33 3.254 14.805 6.968 239 H ILE 34 H ILE 34 4.551 6.249 9.522 240 HA ILE 34 HA ILE 34 6.681 6.919 11.107 241 HB ILE 34 HB ILE 34 6.764 4.637 11.874 242 HG12 ILE 34 1HG1 ILE 34 4.910 3.769 9.678 243 HG13 ILE 34 2HG1 ILE 34 6.652 3.767 9.419 244 HG21 ILE 34 1HG2 ILE 34 4.217 6.003 11.409 245 HG22 ILE 34 2HG2 ILE 34 4.065 4.284 11.767 246 HG23 ILE 34 3HG2 ILE 34 4.901 5.349 12.897 247 HD11 ILE 34 3HD1 ILE 34 6.509 1.674 10.193 248 HD12 ILE 34 1HD1 ILE 34 6.490 2.455 11.774 249 HD13 ILE 34 2HD1 ILE 34 4.975 1.969 11.011 250 H HIS 35 H HIS 35 6.752 5.549 7.935 251 HA HIS 35 HA HIS 35 9.534 4.740 8.131 252 HB2 HIS 35 1HB HIS 35 7.640 4.755 5.771 253 HB3 HIS 35 2HB HIS 35 9.264 4.074 5.764 254 HD1 HIS 35 HD1 HIS 35 9.310 2.426 8.276 255 HD2 HIS 35 HD2 HIS 35 6.000 2.608 5.772 256 HE1 HIS 35 HE1 HIS 35 8.002 0.330 8.739 257 H THR 36 H THR 36 7.778 6.829 5.831 258 HA THR 36 HA THR 36 9.888 8.130 4.695 259 HB THR 36 HB THR 36 8.388 10.058 4.300 260 HG1 THR 36 HG1 THR 36 6.324 10.041 5.226 261 HG21 THR 36 3HG2 THR 36 6.900 8.930 2.886 262 HG22 THR 36 1HG2 THR 36 6.777 7.544 3.969 263 HG23 THR 36 2HG2 THR 36 8.256 7.815 3.047 264 H GLY 37 H GLY 37 10.468 10.516 5.000 265 HA2 GLY 37 1HA GLY 37 10.752 12.338 6.576 266 HA3 GLY 37 2HA GLY 37 10.723 11.149 7.870 267 H GLU 38 H GLU 38 12.653 12.788 5.535 268 HA GLU 38 HA GLU 38 15.059 12.146 6.904 269 HB2 GLU 38 1HB GLU 38 16.200 10.943 5.093 270 HB3 GLU 38 2HB GLU 38 14.825 10.035 5.704 271 HG2 GLU 38 1HG GLU 38 13.566 10.402 3.795 272 HG3 GLU 38 2HG GLU 38 14.532 11.794 3.307 273 H LYS 39 H LYS 39 16.972 13.136 5.849 274 HA LYS 39 HA LYS 39 16.581 15.771 5.182 275 HB2 LYS 39 1HB LYS 39 18.880 15.835 4.479 276 HB3 LYS 39 2HB LYS 39 18.751 14.739 5.848 277 HG2 LYS 39 1HG LYS 39 20.069 13.484 4.496 278 HG3 LYS 39 2HG LYS 39 18.489 12.944 3.924 279 HD2 LYS 39 1HD LYS 39 18.607 14.286 2.000 280 HD3 LYS 39 2HD LYS 39 19.925 15.260 2.657 281 HE2 LYS 39 1HE LYS 39 21.438 13.375 2.487 282 HE3 LYS 39 2HE LYS 39 20.125 12.338 1.932 283 HZ1 LYS 39 3HZ LYS 39 21.759 14.119 0.437 284 HZ2 LYS 39 1HZ LYS 39 20.123 14.492 0.226 285 HZ3 LYS 39 2HZ LYS 39 20.686 12.934 -0.114 286 HA PRO 40 HA PRO 40 15.102 15.836 1.037 287 HB2 PRO 40 1HB PRO 40 15.898 18.335 0.333 288 HB3 PRO 40 2HB PRO 40 14.545 18.031 1.429 289 HG2 PRO 40 1HG PRO 40 17.373 18.771 2.071 290 HG3 PRO 40 2HG PRO 40 15.868 19.381 2.783 291 HD2 PRO 40 1HD PRO 40 17.397 17.504 3.995 292 HD3 PRO 40 2HD PRO 40 15.630 17.549 4.161 293 H SER 41 H SER 41 15.965 14.827 -0.655 294 HA SER 41 HA SER 41 18.791 15.333 -1.312 295 HB2 SER 41 1HB SER 41 18.294 13.005 -0.647 296 HB3 SER 41 2HB SER 41 17.115 12.894 -1.954 297 HG SER 41 HG SER 41 19.551 12.235 -2.175 298 H GLY 42 H GLY 42 15.674 14.511 -2.839 299 HA2 GLY 42 1HA GLY 42 16.508 16.158 -5.146 300 HA3 GLY 42 2HA GLY 42 15.693 14.616 -5.358 301 HA PRO 43 HA PRO 43 12.739 18.355 -4.616 302 HB2 PRO 43 1HB PRO 43 12.434 19.315 -7.137 303 HB3 PRO 43 2HB PRO 43 13.641 19.944 -6.010 304 HG2 PRO 43 1HG PRO 43 13.979 17.981 -8.244 305 HG3 PRO 43 2HG PRO 43 15.019 19.341 -7.783 306 HD2 PRO 43 1HD PRO 43 15.585 16.780 -7.110 307 HD3 PRO 43 2HD PRO 43 16.024 18.158 -6.079 308 H SER 44 H SER 44 11.020 17.045 -4.265 309 HA SER 44 HA SER 44 9.889 15.599 -6.565 310 HB2 SER 44 1HB SER 44 8.739 14.185 -4.909 311 HB3 SER 44 2HB SER 44 10.485 14.168 -4.660 312 HG SER 44 HG SER 44 8.507 15.526 -3.164 313 H SER 45 H SER 45 8.886 17.416 -3.669 314 HA SER 45 HA SER 45 6.730 18.621 -5.232 315 HB2 SER 45 1HB SER 45 5.617 16.757 -4.180 316 HB3 SER 45 2HB SER 45 6.330 17.154 -2.616 317 HG SER 45 HG SER 45 4.277 18.457 -4.023 318 H GLY 46 H GLY 46 6.220 20.692 -4.638 319 HA2 GLY 46 1HA GLY 46 7.021 21.813 -2.122 320 HA3 GLY 46 2HA GLY 46 8.072 22.313 -3.438 Start of MODEL 2 1 H1 GLY 1 H GLY 1 7.114 -16.201 22.140 2 HA2 GLY 1 1HA GLY 1 9.666 -16.326 20.653 3 HA3 GLY 1 2HA GLY 1 8.870 -17.748 21.311 4 H SER 2 H SER 2 6.386 -17.730 20.559 5 HA SER 2 HA SER 2 6.450 -18.308 17.805 6 HB2 SER 2 1HB SER 2 4.867 -19.323 19.458 7 HB3 SER 2 2HB SER 2 3.993 -17.792 19.497 8 HG SER 2 HG SER 2 4.042 -18.211 17.032 9 H SER 3 H SER 3 5.986 -17.142 16.033 10 HA SER 3 HA SER 3 5.382 -14.299 16.422 11 HB2 SER 3 1HB SER 3 6.599 -15.826 14.117 12 HB3 SER 3 2HB SER 3 6.112 -14.136 13.989 13 HG SER 3 HG SER 3 8.390 -15.021 14.860 14 H GLY 4 H GLY 4 4.430 -17.051 14.374 15 HA2 GLY 4 1HA GLY 4 2.220 -17.601 13.785 16 HA3 GLY 4 2HA GLY 4 1.707 -16.003 14.307 17 H SER 5 H SER 5 0.478 -16.173 12.244 18 HA SER 5 HA SER 5 2.056 -14.964 10.097 19 HB2 SER 5 1HB SER 5 1.806 -17.439 9.659 20 HB3 SER 5 2HB SER 5 0.066 -17.174 9.551 21 HG SER 5 HG SER 5 0.465 -15.741 7.822 22 H SER 6 H SER 6 0.890 -13.591 8.728 23 HA SER 6 HA SER 6 -1.762 -12.837 9.762 24 HB2 SER 6 1HB SER 6 0.238 -11.137 8.251 25 HB3 SER 6 2HB SER 6 -1.312 -10.589 8.887 26 HG SER 6 HG SER 6 -0.343 -10.271 10.710 27 H GLY 7 H GLY 7 -3.190 -13.932 8.519 28 HA2 GLY 7 1HA GLY 7 -2.908 -13.653 5.590 29 HA3 GLY 7 2HA GLY 7 -3.659 -15.036 6.373 30 H THR 8 H THR 8 -5.803 -15.042 6.514 31 HA THR 8 HA THR 8 -7.971 -14.377 6.300 32 HB THR 8 HB THR 8 -7.160 -11.716 7.449 33 HG1 THR 8 HG1 THR 8 -6.343 -13.841 8.524 34 HG21 THR 8 3HG2 THR 8 -9.521 -13.227 8.388 35 HG22 THR 8 1HG2 THR 8 -9.592 -12.623 6.733 36 HG23 THR 8 2HG2 THR 8 -9.331 -11.502 8.070 37 H GLY 9 H GLY 9 -6.809 -14.200 3.928 38 HA2 GLY 9 1HA GLY 9 -7.475 -13.282 1.880 39 HA3 GLY 9 2HA GLY 9 -8.134 -11.898 2.740 40 H GLU 10 H GLU 10 -6.804 -11.330 0.514 41 HA GLU 10 HA GLU 10 -4.214 -10.310 1.479 42 HB2 GLU 10 1HB GLU 10 -3.845 -12.062 -0.178 43 HB3 GLU 10 2HB GLU 10 -4.911 -11.242 -1.311 44 HG2 GLU 10 1HG GLU 10 -2.627 -10.836 -1.921 45 HG3 GLU 10 2HG GLU 10 -3.357 -9.335 -1.354 46 H LYS 11 H LYS 11 -5.418 -8.419 2.143 47 HA LYS 11 HA LYS 11 -7.011 -6.810 0.582 48 HB2 LYS 11 1HB LYS 11 -5.163 -6.307 2.862 49 HB3 LYS 11 2HB LYS 11 -5.764 -4.910 1.978 50 HG2 LYS 11 1HG LYS 11 -7.058 -5.690 4.043 51 HG3 LYS 11 2HG LYS 11 -7.971 -5.320 2.578 52 HD2 LYS 11 1HD LYS 11 -8.373 -7.566 2.115 53 HD3 LYS 11 2HD LYS 11 -7.039 -8.114 3.134 54 HE2 LYS 11 1HE LYS 11 -8.268 -7.463 5.126 55 HE3 LYS 11 2HE LYS 11 -9.582 -6.833 4.134 56 HZ1 LYS 11 3HZ LYS 11 -8.784 -9.642 4.564 57 HZ2 LYS 11 1HZ LYS 11 -9.693 -9.197 3.208 58 HZ3 LYS 11 2HZ LYS 11 -10.306 -8.930 4.762 59 HA PRO 12 HA PRO 12 -4.463 -5.265 -2.658 60 HB2 PRO 12 1HB PRO 12 -5.832 -2.994 -3.241 61 HB3 PRO 12 2HB PRO 12 -6.414 -4.606 -3.676 62 HG2 PRO 12 1HG PRO 12 -7.189 -2.872 -1.362 63 HG3 PRO 12 2HG PRO 12 -8.222 -3.845 -2.426 64 HD2 PRO 12 1HD PRO 12 -7.486 -4.673 0.045 65 HD3 PRO 12 2HD PRO 12 -7.755 -5.801 -1.299 66 H TYR 13 H TYR 13 -4.887 -3.670 0.322 67 HA TYR 13 HA TYR 13 -2.802 -1.703 -0.355 68 HB2 TYR 13 1HB TYR 13 -4.827 -1.607 1.891 69 HB3 TYR 13 2HB TYR 13 -3.624 -0.372 1.536 70 HD1 TYR 13 HD1 TYR 13 -3.880 1.097 -0.394 71 HD2 TYR 13 HD2 TYR 13 -6.813 -1.845 0.525 72 HE1 TYR 13 HE1 TYR 13 -5.463 2.209 -1.914 73 HE2 TYR 13 HE2 TYR 13 -8.403 -0.742 -0.992 74 HH TYR 13 HH TYR 13 -8.801 1.081 -2.234 75 H LYS 14 H LYS 14 -0.897 -2.581 0.173 76 HA LYS 14 HA LYS 14 -0.551 -3.514 2.935 77 HB2 LYS 14 1HB LYS 14 -0.678 -5.544 1.676 78 HB3 LYS 14 2HB LYS 14 0.393 -4.912 0.432 79 HG2 LYS 14 1HG LYS 14 2.063 -4.725 2.472 80 HG3 LYS 14 2HG LYS 14 1.031 -6.004 3.115 81 HD2 LYS 14 1HD LYS 14 1.509 -7.437 1.301 82 HD3 LYS 14 2HD LYS 14 2.215 -6.126 0.352 83 HE2 LYS 14 1HE LYS 14 4.150 -6.066 1.669 84 HE3 LYS 14 2HE LYS 14 3.392 -6.966 2.982 85 HZ1 LYS 14 3HZ LYS 14 5.017 -8.230 1.562 86 HZ2 LYS 14 1HZ LYS 14 3.879 -8.153 0.313 87 HZ3 LYS 14 2HZ LYS 14 3.499 -8.952 1.754 88 H CYS 15 H CYS 15 1.159 -2.648 3.934 89 HA CYS 15 HA CYS 15 2.662 -0.589 2.752 90 HB2 CYS 15 1HB CYS 15 2.167 -1.061 5.251 91 HB3 CYS 15 2HB CYS 15 3.589 -2.097 5.183 92 H ASN 16 H ASN 16 4.198 -0.777 1.273 93 HA ASN 16 HA ASN 16 5.662 -3.270 0.980 94 HB2 ASN 16 1HB ASN 16 5.289 -0.813 -0.681 95 HB3 ASN 16 2HB ASN 16 6.707 -1.816 -0.968 96 HD21 ASN 16 1HD2 ASN 16 4.341 -1.270 -2.631 97 HD22 ASN 16 2HD2 ASN 16 3.678 -2.819 -3.012 98 H GLU 17 H GLU 17 6.038 -1.037 3.129 99 HA GLU 17 HA GLU 17 8.919 -0.615 2.742 100 HB2 GLU 17 1HB GLU 17 6.892 0.771 4.491 101 HB3 GLU 17 2HB GLU 17 8.623 1.017 4.671 102 HG2 GLU 17 1HG GLU 17 7.386 1.393 1.992 103 HG3 GLU 17 2HG GLU 17 7.172 2.638 3.222 104 H CYS 18 H CYS 18 6.534 -2.021 4.885 105 HA CYS 18 HA CYS 18 8.727 -3.227 6.441 106 HB2 CYS 18 1HB CYS 18 7.194 -3.243 8.394 107 HB3 CYS 18 2HB CYS 18 7.583 -1.616 7.844 108 H GLY 19 H GLY 19 5.375 -3.608 5.335 109 HA2 GLY 19 1HA GLY 19 5.015 -5.773 4.115 110 HA3 GLY 19 2HA GLY 19 5.754 -6.533 5.517 111 H LYS 20 H LYS 20 3.823 -3.865 6.312 112 HA LYS 20 HA LYS 20 1.883 -5.580 7.586 113 HB2 LYS 20 1HB LYS 20 2.517 -2.666 7.623 114 HB3 LYS 20 2HB LYS 20 0.908 -3.170 8.123 115 HG2 LYS 20 1HG LYS 20 2.084 -4.782 9.706 116 HG3 LYS 20 2HG LYS 20 3.551 -3.862 9.362 117 HD2 LYS 20 1HD LYS 20 2.676 -2.885 11.308 118 HD3 LYS 20 2HD LYS 20 2.194 -1.795 10.006 119 HE2 LYS 20 1HE LYS 20 0.222 -1.992 11.170 120 HE3 LYS 20 2HE LYS 20 0.036 -3.273 9.973 121 HZ1 LYS 20 3HZ LYS 20 1.304 -3.987 12.503 122 HZ2 LYS 20 1HZ LYS 20 0.252 -4.884 11.528 123 HZ3 LYS 20 2HZ LYS 20 -0.359 -3.675 12.541 124 H VAL 21 H VAL 21 -0.483 -4.980 7.429 125 HA VAL 21 HA VAL 21 -1.238 -4.154 4.714 126 HB VAL 21 HB VAL 21 -2.474 -6.540 6.086 127 HG11 VAL 21 1HG1 VAL 21 -2.805 -6.578 3.286 128 HG12 VAL 21 2HG1 VAL 21 -4.039 -6.333 4.524 129 HG13 VAL 21 3HG1 VAL 21 -3.199 -4.947 3.828 130 HG21 VAL 21 3HG2 VAL 21 -0.714 -6.808 3.694 131 HG22 VAL 21 1HG2 VAL 21 0.023 -6.672 5.291 132 HG23 VAL 21 2HG2 VAL 21 -1.101 -7.987 4.947 133 H PHE 22 H PHE 22 -3.250 -3.177 4.525 134 HA PHE 22 HA PHE 22 -4.825 -2.822 6.967 135 HB2 PHE 22 1HB PHE 22 -4.059 -0.486 5.213 136 HB3 PHE 22 2HB PHE 22 -4.910 -0.437 6.753 137 HD1 PHE 22 HD1 PHE 22 -1.652 -1.232 5.187 138 HD2 PHE 22 HD2 PHE 22 -3.739 -0.277 8.771 139 HE1 PHE 22 HE1 PHE 22 0.494 -0.946 6.356 140 HE2 PHE 22 HE2 PHE 22 -1.596 0.011 9.946 141 HZ PHE 22 HZ PHE 22 0.524 -0.323 8.738 142 H ARG 23 H ARG 23 -6.999 -2.090 6.590 143 HA ARG 23 HA ARG 23 -8.099 -3.188 4.170 144 HB2 ARG 23 1HB ARG 23 -9.156 -3.405 6.442 145 HB3 ARG 23 2HB ARG 23 -9.546 -1.692 6.358 146 HG2 ARG 23 1HG ARG 23 -10.799 -2.201 4.231 147 HG3 ARG 23 2HG ARG 23 -10.587 -3.909 4.621 148 HD2 ARG 23 1HD ARG 23 -11.562 -3.121 6.951 149 HD3 ARG 23 2HD ARG 23 -12.254 -1.841 5.956 150 HE ARG 23 HE ARG 23 -12.728 -4.392 4.808 151 HH11 ARG 23 1HH1 ARG 23 -13.776 -2.271 7.362 152 HH12 ARG 23 2HH1 ARG 23 -15.380 -2.923 7.423 153 HH21 ARG 23 1HH2 ARG 23 -14.837 -5.260 4.879 154 HH22 ARG 23 2HH2 ARG 23 -15.982 -4.624 6.011 155 H HIS 24 H HIS 24 -8.097 0.034 5.687 156 HA HIS 24 HA HIS 24 -8.922 1.187 3.115 157 HB2 HIS 24 1HB HIS 24 -10.059 1.647 5.464 158 HB3 HIS 24 2HB HIS 24 -8.754 2.821 5.609 159 HD1 HIS 24 HD1 HIS 24 -9.038 5.000 4.400 160 HD2 HIS 24 HD2 HIS 24 -11.824 2.150 3.227 161 HE1 HIS 24 HE1 HIS 24 -10.674 6.223 2.932 162 H ASN 25 H ASN 25 -7.740 2.790 2.110 163 HA ASN 25 HA ASN 25 -4.956 2.697 2.341 164 HB2 ASN 25 1HB ASN 25 -5.863 3.384 0.259 165 HB3 ASN 25 2HB ASN 25 -6.807 4.668 1.007 166 HD21 ASN 25 1HD2 ASN 25 -6.045 6.601 0.611 167 HD22 ASN 25 2HD2 ASN 25 -4.382 7.027 0.413 168 H SER 26 H SER 26 -7.272 5.120 3.506 169 HA SER 26 HA SER 26 -5.670 7.088 4.454 170 HB2 SER 26 1HB SER 26 -8.056 7.251 4.712 171 HB3 SER 26 2HB SER 26 -8.086 5.864 5.800 172 HG SER 26 HG SER 26 -6.715 7.185 7.208 173 H TYR 27 H TYR 27 -6.259 3.966 6.005 174 HA TYR 27 HA TYR 27 -4.721 4.543 8.334 175 HB2 TYR 27 1HB TYR 27 -5.385 1.810 7.231 176 HB3 TYR 27 2HB TYR 27 -5.009 2.228 8.899 177 HD1 TYR 27 HD2 TYR 27 -6.706 4.673 9.194 178 HD2 TYR 27 HD1 TYR 27 -7.539 0.898 7.415 179 HE1 TYR 27 HE2 TYR 27 -9.100 4.989 9.658 180 HE2 TYR 27 HE1 TYR 27 -9.936 1.204 7.874 181 HH TYR 27 HH TYR 27 -11.133 4.117 9.522 182 H LEU 28 H LEU 28 -4.034 3.071 5.219 183 HA LEU 28 HA LEU 28 -1.460 2.079 5.881 184 HB2 LEU 28 1HB LEU 28 -2.510 1.136 4.000 185 HB3 LEU 28 2HB LEU 28 -2.835 2.715 3.290 186 HG LEU 28 HG LEU 28 -0.458 2.989 2.796 187 HD11 LEU 28 1HD1 LEU 28 -0.191 0.248 4.019 188 HD12 LEU 28 2HD1 LEU 28 0.520 1.750 4.610 189 HD13 LEU 28 3HD1 LEU 28 1.064 1.059 3.081 190 HD21 LEU 28 3HD2 LEU 28 -2.216 1.520 1.413 191 HD22 LEU 28 1HD2 LEU 28 -0.990 0.289 1.716 192 HD23 LEU 28 2HD2 LEU 28 -0.553 1.782 0.883 193 H SER 29 H SER 29 -2.477 4.969 4.058 194 HA SER 29 HA SER 29 0.028 6.068 3.618 195 HB2 SER 29 1HB SER 29 -2.072 6.910 2.604 196 HB3 SER 29 2HB SER 29 -2.535 7.586 4.166 197 HG SER 29 HG SER 29 -1.565 9.199 2.973 198 H ARG 30 H ARG 30 -2.210 6.835 6.287 199 HA ARG 30 HA ARG 30 -0.611 8.590 7.691 200 HB2 ARG 30 1HB ARG 30 -1.951 8.097 9.627 201 HB3 ARG 30 2HB ARG 30 -2.989 8.052 8.208 202 HG2 ARG 30 1HG ARG 30 -3.084 5.689 8.238 203 HG3 ARG 30 2HG ARG 30 -1.782 5.584 9.424 204 HD2 ARG 30 1HD ARG 30 -3.430 7.026 10.877 205 HD3 ARG 30 2HD ARG 30 -4.642 6.339 9.795 206 HE ARG 30 HE ARG 30 -2.972 4.298 10.804 207 HH11 ARG 30 1HH1 ARG 30 -5.533 6.450 11.766 208 HH12 ARG 30 2HH1 ARG 30 -6.141 5.389 12.993 209 HH21 ARG 30 1HH2 ARG 30 -3.763 2.892 12.417 210 HH22 ARG 30 2HH2 ARG 30 -5.133 3.366 13.363 211 H HIS 31 H HIS 31 -0.420 5.112 7.497 212 HA HIS 31 HA HIS 31 1.367 4.809 9.720 213 HB2 HIS 31 1HB HIS 31 0.104 2.887 9.239 214 HB3 HIS 31 2HB HIS 31 0.433 2.992 7.512 215 HD1 HIS 31 HD1 HIS 31 2.051 1.968 10.754 216 HD2 HIS 31 HD2 HIS 31 2.712 1.685 6.662 217 HE1 HIS 31 HE1 HIS 31 3.972 0.366 10.493 218 H GLN 32 H GLN 32 1.724 4.889 6.193 219 HA GLN 32 HA GLN 32 4.386 4.285 5.920 220 HB2 GLN 32 1HB GLN 32 2.693 6.282 4.421 221 HB3 GLN 32 2HB GLN 32 4.337 5.880 3.941 222 HG2 GLN 32 1HG GLN 32 3.586 3.475 3.831 223 HG3 GLN 32 2HG GLN 32 1.938 4.076 4.008 224 HE21 GLN 32 1HE2 GLN 32 2.858 2.621 1.799 225 HE22 GLN 32 2HE2 GLN 32 2.796 3.645 0.409 226 H ARG 33 H ARG 33 3.013 6.992 7.490 227 HA ARG 33 HA ARG 33 4.893 8.986 7.186 228 HB2 ARG 33 1HB ARG 33 3.452 8.240 9.738 229 HB3 ARG 33 2HB ARG 33 4.199 9.795 9.393 230 HG2 ARG 33 1HG ARG 33 1.945 8.628 7.779 231 HG3 ARG 33 2HG ARG 33 1.722 9.740 9.131 232 HD2 ARG 33 1HD ARG 33 3.452 10.380 6.755 233 HD3 ARG 33 2HD ARG 33 1.734 10.769 6.818 234 HE ARG 33 HE ARG 33 3.872 12.095 8.223 235 HH11 ARG 33 1HH1 ARG 33 0.450 11.465 8.107 236 HH12 ARG 33 2HH1 ARG 33 0.026 12.880 9.013 237 HH21 ARG 33 1HH2 ARG 33 3.327 13.961 9.417 238 HH22 ARG 33 2HH2 ARG 33 1.663 14.299 9.757 239 H ILE 34 H ILE 34 4.902 6.385 9.619 240 HA ILE 34 HA ILE 34 7.277 7.040 10.898 241 HB ILE 34 HB ILE 34 7.380 4.763 11.681 242 HG12 ILE 34 1HG1 ILE 34 5.111 3.905 9.943 243 HG13 ILE 34 2HG1 ILE 34 6.724 3.946 9.242 244 HG21 ILE 34 1HG2 ILE 34 5.732 5.431 13.018 245 HG22 ILE 34 2HG2 ILE 34 4.959 6.336 11.717 246 HG23 ILE 34 3HG2 ILE 34 4.615 4.619 11.922 247 HD11 ILE 34 3HD1 ILE 34 7.481 2.231 10.541 248 HD12 ILE 34 1HD1 ILE 34 6.340 2.565 11.843 249 HD13 ILE 34 2HD1 ILE 34 5.785 1.778 10.365 250 H HIS 35 H HIS 35 6.755 5.613 7.790 251 HA HIS 35 HA HIS 35 9.466 4.634 7.532 252 HB2 HIS 35 1HB HIS 35 7.101 4.745 5.670 253 HB3 HIS 35 2HB HIS 35 8.697 4.256 5.110 254 HD1 HIS 35 HD1 HIS 35 9.706 2.308 7.019 255 HD2 HIS 35 HD2 HIS 35 5.647 2.537 6.165 256 HE1 HIS 35 HE1 HIS 35 8.757 0.070 7.662 257 H THR 36 H THR 36 7.580 6.855 5.478 258 HA THR 36 HA THR 36 9.766 8.049 4.236 259 HB THR 36 HB THR 36 7.548 8.322 3.321 260 HG1 THR 36 HG1 THR 36 8.459 10.081 2.567 261 HG21 THR 36 3HG2 THR 36 6.524 8.502 5.702 262 HG22 THR 36 1HG2 THR 36 5.764 9.376 4.373 263 HG23 THR 36 2HG2 THR 36 6.808 10.231 5.508 264 H GLY 37 H GLY 37 7.905 9.182 7.056 265 HA2 GLY 37 1HA GLY 37 8.390 10.768 8.648 266 HA3 GLY 37 2HA GLY 37 10.030 10.149 8.522 267 H GLU 38 H GLU 38 7.890 12.732 7.778 268 HA GLU 38 HA GLU 38 9.694 14.053 5.952 269 HB2 GLU 38 1HB GLU 38 7.045 14.730 7.180 270 HB3 GLU 38 2HB GLU 38 8.001 15.993 6.417 271 HG2 GLU 38 1HG GLU 38 7.340 13.448 4.984 272 HG3 GLU 38 2HG GLU 38 6.225 14.813 5.015 273 H LYS 39 H LYS 39 11.509 14.925 6.692 274 HA LYS 39 HA LYS 39 11.420 16.382 9.253 275 HB2 LYS 39 1HB LYS 39 13.739 15.791 9.622 276 HB3 LYS 39 2HB LYS 39 12.798 14.329 9.356 277 HG2 LYS 39 1HG LYS 39 14.132 15.571 7.014 278 HG3 LYS 39 2HG LYS 39 15.131 14.717 8.192 279 HD2 LYS 39 1HD LYS 39 12.653 13.448 7.086 280 HD3 LYS 39 2HD LYS 39 14.164 13.411 6.174 281 HE2 LYS 39 1HE LYS 39 14.354 11.459 7.353 282 HE3 LYS 39 2HE LYS 39 15.140 12.573 8.471 283 HZ1 LYS 39 3HZ LYS 39 13.453 12.428 9.947 284 HZ2 LYS 39 1HZ LYS 39 13.227 10.919 9.216 285 HZ3 LYS 39 2HZ LYS 39 12.260 12.231 8.763 286 HA PRO 40 HA PRO 40 12.674 20.012 7.120 287 HB2 PRO 40 1HB PRO 40 14.096 21.270 9.061 288 HB3 PRO 40 2HB PRO 40 12.334 21.135 9.095 289 HG2 PRO 40 1HG PRO 40 14.386 19.498 10.533 290 HG3 PRO 40 2HG PRO 40 12.855 20.155 11.139 291 HD2 PRO 40 1HD PRO 40 13.133 17.570 10.380 292 HD3 PRO 40 2HD PRO 40 11.609 18.462 10.192 293 H SER 41 H SER 41 14.756 17.556 7.810 294 HA SER 41 HA SER 41 17.317 18.291 7.786 295 HB2 SER 41 1HB SER 41 15.878 16.181 6.247 296 HB3 SER 41 2HB SER 41 17.572 16.476 5.853 297 HG SER 41 HG SER 41 17.224 14.878 7.517 298 H GLY 42 H GLY 42 15.297 18.338 4.850 299 HA2 GLY 42 1HA GLY 42 15.854 20.657 3.713 300 HA3 GLY 42 2HA GLY 42 17.379 19.827 3.441 301 HA PRO 43 HA PRO 43 14.053 17.367 0.932 302 HB2 PRO 43 1HB PRO 43 11.590 18.495 0.752 303 HB3 PRO 43 2HB PRO 43 12.035 17.358 2.030 304 HG2 PRO 43 1HG PRO 43 11.918 20.349 2.110 305 HG3 PRO 43 2HG PRO 43 11.363 19.174 3.318 306 HD2 PRO 43 1HD PRO 43 13.711 20.502 3.549 307 HD3 PRO 43 2HD PRO 43 13.483 18.852 4.163 308 H SER 44 H SER 44 12.587 17.977 -1.113 309 HA SER 44 HA SER 44 14.158 19.924 -2.579 310 HB2 SER 44 1HB SER 44 13.538 17.648 -3.496 311 HB3 SER 44 2HB SER 44 11.880 18.235 -3.625 312 HG SER 44 HG SER 44 13.884 19.815 -4.739 313 H SER 45 H SER 45 13.593 21.991 -2.484 314 HA SER 45 HA SER 45 10.823 22.729 -3.008 315 HB2 SER 45 1HB SER 45 10.889 22.690 -0.580 316 HB3 SER 45 2HB SER 45 12.351 23.677 -0.572 317 HG SER 45 HG SER 45 9.799 24.470 -0.654 318 H GLY 46 H GLY 46 10.613 25.112 -3.399 319 HA2 GLY 46 1HA GLY 46 12.480 27.009 -3.707 320 HA3 GLY 46 2HA GLY 46 12.829 25.961 -5.074 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.622 -16.277 15.781 2 HA2 GLY 1 1HA GLY 1 8.100 -18.730 14.254 3 HA3 GLY 1 2HA GLY 1 8.237 -18.617 16.002 4 H SER 2 H SER 2 6.342 -19.357 16.741 5 HA SER 2 HA SER 2 3.863 -19.041 15.436 6 HB2 SER 2 1HB SER 2 2.884 -20.042 17.362 7 HB3 SER 2 2HB SER 2 4.475 -20.782 17.190 8 HG SER 2 HG SER 2 3.594 -19.725 19.331 9 H SER 3 H SER 3 2.360 -17.481 15.494 10 HA SER 3 HA SER 3 2.012 -15.641 17.609 11 HB2 SER 3 1HB SER 3 3.790 -14.827 15.358 12 HB3 SER 3 2HB SER 3 2.654 -13.631 15.982 13 HG SER 3 HG SER 3 4.881 -14.775 17.188 14 H GLY 4 H GLY 4 -0.096 -15.269 17.538 15 HA2 GLY 4 1HA GLY 4 -1.614 -15.705 15.138 16 HA3 GLY 4 2HA GLY 4 -2.249 -15.206 16.699 17 H SER 5 H SER 5 -0.665 -14.065 13.763 18 HA SER 5 HA SER 5 -1.742 -11.379 14.325 19 HB2 SER 5 1HB SER 5 0.708 -12.028 12.670 20 HB3 SER 5 2HB SER 5 0.118 -10.422 13.098 21 HG SER 5 HG SER 5 1.186 -12.399 14.825 22 H SER 6 H SER 6 -3.124 -10.555 12.888 23 HA SER 6 HA SER 6 -4.109 -12.129 10.752 24 HB2 SER 6 1HB SER 6 -4.616 -9.357 11.755 25 HB3 SER 6 2HB SER 6 -5.220 -9.804 10.160 26 HG SER 6 HG SER 6 -6.381 -11.480 11.112 27 H GLY 7 H GLY 7 -2.578 -12.598 9.225 28 HA2 GLY 7 1HA GLY 7 -1.543 -10.285 7.705 29 HA3 GLY 7 2HA GLY 7 -0.558 -11.705 8.027 30 H THR 8 H THR 8 -2.542 -13.673 7.572 31 HA THR 8 HA THR 8 -2.234 -14.407 5.016 32 HB THR 8 HB THR 8 -3.442 -15.807 6.599 33 HG1 THR 8 HG1 THR 8 -5.178 -16.441 5.112 34 HG21 THR 8 3HG2 THR 8 -6.010 -14.392 6.155 35 HG22 THR 8 1HG2 THR 8 -4.875 -13.658 7.287 36 HG23 THR 8 2HG2 THR 8 -5.448 -15.304 7.555 37 H GLY 9 H GLY 9 -4.659 -12.092 6.150 38 HA2 GLY 9 1HA GLY 9 -6.265 -11.696 4.015 39 HA3 GLY 9 2HA GLY 9 -5.654 -10.360 4.981 40 H GLU 10 H GLU 10 -6.176 -10.949 1.979 41 HA GLU 10 HA GLU 10 -3.548 -10.054 0.998 42 HB2 GLU 10 1HB GLU 10 -5.807 -11.450 -0.444 43 HB3 GLU 10 2HB GLU 10 -4.382 -10.804 -1.246 44 HG2 GLU 10 1HG GLU 10 -2.964 -12.307 0.055 45 HG3 GLU 10 2HG GLU 10 -4.392 -12.955 0.860 46 H LYS 11 H LYS 11 -5.222 -8.204 2.234 47 HA LYS 11 HA LYS 11 -7.011 -6.789 0.705 48 HB2 LYS 11 1HB LYS 11 -4.926 -5.580 2.530 49 HB3 LYS 11 2HB LYS 11 -6.443 -4.835 2.044 50 HG2 LYS 11 1HG LYS 11 -6.485 -7.465 3.446 51 HG3 LYS 11 2HG LYS 11 -6.224 -5.983 4.369 52 HD2 LYS 11 1HD LYS 11 -8.337 -5.201 3.969 53 HD3 LYS 11 2HD LYS 11 -8.473 -6.044 2.424 54 HE2 LYS 11 1HE LYS 11 -8.521 -7.387 5.124 55 HE3 LYS 11 2HE LYS 11 -9.956 -6.956 4.195 56 HZ1 LYS 11 3HZ LYS 11 -9.616 -9.146 3.622 57 HZ2 LYS 11 1HZ LYS 11 -7.930 -9.013 3.622 58 HZ3 LYS 11 2HZ LYS 11 -8.831 -8.344 2.356 59 HA PRO 12 HA PRO 12 -4.823 -5.070 -2.696 60 HB2 PRO 12 1HB PRO 12 -6.263 -2.805 -3.104 61 HB3 PRO 12 2HB PRO 12 -6.870 -4.415 -3.509 62 HG2 PRO 12 1HG PRO 12 -7.433 -2.729 -1.100 63 HG3 PRO 12 2HG PRO 12 -8.554 -3.695 -2.077 64 HD2 PRO 12 1HD PRO 12 -7.575 -4.556 0.297 65 HD3 PRO 12 2HD PRO 12 -7.963 -5.664 -1.035 66 H TYR 13 H TYR 13 -4.957 -3.544 0.341 67 HA TYR 13 HA TYR 13 -2.934 -1.571 -0.497 68 HB2 TYR 13 1HB TYR 13 -4.869 -1.445 1.824 69 HB3 TYR 13 2HB TYR 13 -3.615 -0.256 1.495 70 HD1 TYR 13 HD1 TYR 13 -3.794 1.229 -0.461 71 HD2 TYR 13 HD2 TYR 13 -6.906 -1.489 0.553 72 HE1 TYR 13 HE1 TYR 13 -5.340 2.462 -1.925 73 HE2 TYR 13 HE2 TYR 13 -8.460 -0.265 -0.908 74 HH TYR 13 HH TYR 13 -8.679 1.365 -2.409 75 H LYS 14 H LYS 14 -1.064 -2.664 -0.156 76 HA LYS 14 HA LYS 14 -0.555 -3.573 2.600 77 HB2 LYS 14 1HB LYS 14 -0.720 -5.531 1.194 78 HB3 LYS 14 2HB LYS 14 0.384 -4.829 0.017 79 HG2 LYS 14 1HG LYS 14 2.099 -4.805 1.914 80 HG3 LYS 14 2HG LYS 14 0.989 -5.892 2.753 81 HD2 LYS 14 1HD LYS 14 1.135 -7.501 0.969 82 HD3 LYS 14 2HD LYS 14 2.096 -6.389 -0.009 83 HE2 LYS 14 1HE LYS 14 3.616 -7.939 0.938 84 HE3 LYS 14 2HE LYS 14 3.812 -6.434 1.835 85 HZ1 LYS 14 3HZ LYS 14 2.822 -9.006 2.730 86 HZ2 LYS 14 1HZ LYS 14 1.956 -7.668 3.299 87 HZ3 LYS 14 2HZ LYS 14 3.617 -7.789 3.596 88 H CYS 15 H CYS 15 1.344 -2.956 3.526 89 HA CYS 15 HA CYS 15 2.775 -0.804 2.255 90 HB2 CYS 15 1HB CYS 15 2.227 -0.775 4.673 91 HB3 CYS 15 2HB CYS 15 3.292 -2.157 4.912 92 H ASN 16 H ASN 16 4.685 -0.889 1.245 93 HA ASN 16 HA ASN 16 5.952 -3.495 0.930 94 HB2 ASN 16 1HB ASN 16 6.054 -0.898 -0.553 95 HB3 ASN 16 2HB ASN 16 7.394 -2.028 -0.721 96 HD21 ASN 16 1HD2 ASN 16 6.869 -4.211 -1.420 97 HD22 ASN 16 2HD2 ASN 16 5.541 -4.446 -2.501 98 H GLU 17 H GLU 17 6.357 -0.629 2.715 99 HA GLU 17 HA GLU 17 9.189 -0.622 2.949 100 HB2 GLU 17 1HB GLU 17 7.098 0.511 4.817 101 HB3 GLU 17 2HB GLU 17 8.816 0.881 4.863 102 HG2 GLU 17 1HG GLU 17 6.809 1.623 2.763 103 HG3 GLU 17 2HG GLU 17 7.790 2.687 3.769 104 H CYS 18 H CYS 18 6.615 -1.764 5.134 105 HA CYS 18 HA CYS 18 8.634 -3.414 6.506 106 HB2 CYS 18 1HB CYS 18 7.054 -3.418 8.431 107 HB3 CYS 18 2HB CYS 18 7.638 -1.810 8.016 108 H GLY 19 H GLY 19 5.295 -3.378 5.306 109 HA2 GLY 19 1HA GLY 19 4.816 -5.455 3.936 110 HA3 GLY 19 2HA GLY 19 5.330 -6.330 5.371 111 H LYS 20 H LYS 20 4.038 -4.306 7.130 112 HA LYS 20 HA LYS 20 1.729 -5.537 7.809 113 HB2 LYS 20 1HB LYS 20 2.662 -2.723 8.051 114 HB3 LYS 20 2HB LYS 20 0.971 -3.045 8.409 115 HG2 LYS 20 1HG LYS 20 1.677 -4.746 10.051 116 HG3 LYS 20 2HG LYS 20 3.359 -4.314 9.733 117 HD2 LYS 20 1HD LYS 20 2.942 -3.008 11.569 118 HD3 LYS 20 2HD LYS 20 2.489 -1.889 10.281 119 HE2 LYS 20 1HE LYS 20 0.132 -3.060 10.614 120 HE3 LYS 20 2HE LYS 20 0.783 -3.353 12.225 121 HZ1 LYS 20 3HZ LYS 20 1.009 -0.650 11.132 122 HZ2 LYS 20 1HZ LYS 20 0.778 -1.153 12.731 123 HZ3 LYS 20 2HZ LYS 20 -0.519 -1.163 11.646 124 H VAL 21 H VAL 21 -0.476 -5.329 7.353 125 HA VAL 21 HA VAL 21 -1.091 -4.054 4.765 126 HB VAL 21 HB VAL 21 -2.381 -6.533 5.915 127 HG11 VAL 21 1HG1 VAL 21 -2.923 -4.829 3.542 128 HG12 VAL 21 2HG1 VAL 21 -3.124 -6.574 3.375 129 HG13 VAL 21 3HG1 VAL 21 -4.043 -5.692 4.595 130 HG21 VAL 21 3HG2 VAL 21 -0.815 -7.765 4.927 131 HG22 VAL 21 1HG2 VAL 21 -1.028 -6.902 3.404 132 HG23 VAL 21 2HG2 VAL 21 0.088 -6.281 4.620 133 H PHE 22 H PHE 22 -3.183 -3.149 4.512 134 HA PHE 22 HA PHE 22 -4.762 -2.796 6.952 135 HB2 PHE 22 1HB PHE 22 -3.997 -0.462 5.193 136 HB3 PHE 22 2HB PHE 22 -4.868 -0.410 6.722 137 HD1 PHE 22 HD1 PHE 22 -1.591 -1.378 5.258 138 HD2 PHE 22 HD2 PHE 22 -3.717 -0.051 8.698 139 HE1 PHE 22 HE1 PHE 22 0.538 -1.076 6.453 140 HE2 PHE 22 HE2 PHE 22 -1.592 0.255 9.898 141 HZ PHE 22 HZ PHE 22 0.540 -0.257 8.776 142 H ARG 23 H ARG 23 -6.947 -2.206 6.592 143 HA ARG 23 HA ARG 23 -8.004 -3.234 4.124 144 HB2 ARG 23 1HB ARG 23 -8.958 -3.387 6.573 145 HB3 ARG 23 2HB ARG 23 -9.703 -1.849 6.158 146 HG2 ARG 23 1HG ARG 23 -10.788 -2.899 4.231 147 HG3 ARG 23 2HG ARG 23 -10.053 -4.443 4.670 148 HD2 ARG 23 1HD ARG 23 -11.235 -4.396 6.810 149 HD3 ARG 23 2HD ARG 23 -11.960 -2.848 6.378 150 HE ARG 23 HE ARG 23 -12.763 -5.452 5.469 151 HH11 ARG 23 1HH1 ARG 23 -12.760 -2.046 4.748 152 HH12 ARG 23 2HH1 ARG 23 -14.153 -2.129 3.722 153 HH21 ARG 23 1HH2 ARG 23 -14.598 -5.575 4.120 154 HH22 ARG 23 2HH2 ARG 23 -15.198 -4.137 3.366 155 H HIS 24 H HIS 24 -7.997 -0.083 5.762 156 HA HIS 24 HA HIS 24 -8.959 1.154 3.275 157 HB2 HIS 24 1HB HIS 24 -10.075 1.486 5.635 158 HB3 HIS 24 2HB HIS 24 -8.770 2.647 5.863 159 HD1 HIS 24 HD1 HIS 24 -9.668 4.908 5.468 160 HD2 HIS 24 HD2 HIS 24 -11.223 2.147 2.781 161 HE1 HIS 24 HE1 HIS 24 -11.147 6.232 3.924 162 H ASN 25 H ASN 25 -7.753 2.620 2.190 163 HA ASN 25 HA ASN 25 -4.999 2.655 2.398 164 HB2 ASN 25 1HB ASN 25 -5.218 4.872 1.075 165 HB3 ASN 25 2HB ASN 25 -5.854 3.398 0.351 166 HD21 ASN 25 1HD2 ASN 25 -8.054 3.135 0.130 167 HD22 ASN 25 2HD2 ASN 25 -9.174 4.433 0.347 168 H SER 26 H SER 26 -7.327 5.015 3.669 169 HA SER 26 HA SER 26 -5.791 7.003 4.626 170 HB2 SER 26 1HB SER 26 -8.288 6.661 4.981 171 HB3 SER 26 2HB SER 26 -7.862 5.694 6.393 172 HG SER 26 HG SER 26 -8.091 7.692 7.200 173 H TYR 27 H TYR 27 -6.150 3.824 6.145 174 HA TYR 27 HA TYR 27 -4.496 4.408 8.381 175 HB2 TYR 27 1HB TYR 27 -5.134 1.698 7.202 176 HB3 TYR 27 2HB TYR 27 -4.576 2.029 8.838 177 HD1 TYR 27 HD2 TYR 27 -6.195 4.069 9.895 178 HD2 TYR 27 HD1 TYR 27 -7.328 1.010 7.164 179 HE1 TYR 27 HE2 TYR 27 -8.526 4.264 10.654 180 HE2 TYR 27 HE1 TYR 27 -9.663 1.197 7.915 181 HH TYR 27 HH TYR 27 -10.969 1.992 9.688 182 H LEU 28 H LEU 28 -3.911 3.066 5.186 183 HA LEU 28 HA LEU 28 -1.245 2.220 5.675 184 HB2 LEU 28 1HB LEU 28 -2.419 1.267 3.841 185 HB3 LEU 28 2HB LEU 28 -2.760 2.854 3.154 186 HG LEU 28 HG LEU 28 -0.368 3.121 2.636 187 HD11 LEU 28 1HD1 LEU 28 0.843 0.762 2.703 188 HD12 LEU 28 2HD1 LEU 28 -0.215 0.545 4.096 189 HD13 LEU 28 3HD1 LEU 28 0.919 1.895 4.052 190 HD21 LEU 28 3HD2 LEU 28 -1.810 0.710 1.566 191 HD22 LEU 28 1HD2 LEU 28 -0.274 1.270 0.905 192 HD23 LEU 28 2HD2 LEU 28 -1.689 2.321 0.857 193 H SER 29 H SER 29 -2.588 5.104 4.076 194 HA SER 29 HA SER 29 -0.156 6.354 3.499 195 HB2 SER 29 1HB SER 29 -2.102 7.212 2.444 196 HB3 SER 29 2HB SER 29 -2.925 7.452 3.985 197 HG SER 29 HG SER 29 -2.166 9.403 3.849 198 H ARG 30 H ARG 30 -2.277 6.693 6.330 199 HA ARG 30 HA ARG 30 -0.672 8.595 7.668 200 HB2 ARG 30 1HB ARG 30 -2.077 8.260 9.539 201 HB3 ARG 30 2HB ARG 30 -3.104 8.025 8.131 202 HG2 ARG 30 1HG ARG 30 -2.877 5.597 8.382 203 HG3 ARG 30 2HG ARG 30 -1.875 5.851 9.813 204 HD2 ARG 30 1HD ARG 30 -4.642 6.994 9.597 205 HD3 ARG 30 2HD ARG 30 -4.364 5.347 10.161 206 HE ARG 30 HE ARG 30 -3.774 7.800 11.575 207 HH11 ARG 30 1HH1 ARG 30 -3.230 4.370 11.338 208 HH12 ARG 30 2HH1 ARG 30 -2.735 4.202 12.990 209 HH21 ARG 30 1HH2 ARG 30 -3.124 7.592 13.752 210 HH22 ARG 30 2HH2 ARG 30 -2.676 6.036 14.362 211 H HIS 31 H HIS 31 -0.435 5.177 7.304 212 HA HIS 31 HA HIS 31 1.258 4.774 9.606 213 HB2 HIS 31 1HB HIS 31 0.083 2.839 9.135 214 HB3 HIS 31 2HB HIS 31 0.219 3.053 7.393 215 HD1 HIS 31 HD1 HIS 31 2.522 2.241 10.314 216 HD2 HIS 31 HD2 HIS 31 2.053 1.417 6.269 217 HE1 HIS 31 HE1 HIS 31 4.318 0.572 9.755 218 H GLN 32 H GLN 32 1.749 4.523 6.080 219 HA GLN 32 HA GLN 32 4.385 4.032 5.881 220 HB2 GLN 32 1HB GLN 32 2.638 5.895 4.312 221 HB3 GLN 32 2HB GLN 32 4.348 5.761 3.926 222 HG2 GLN 32 1HG GLN 32 2.759 3.264 4.157 223 HG3 GLN 32 2HG GLN 32 2.536 4.276 2.731 224 HE21 GLN 32 1HE2 GLN 32 3.660 3.515 1.099 225 HE22 GLN 32 2HE2 GLN 32 5.262 2.872 1.172 226 H ARG 33 H ARG 33 2.967 6.915 7.175 227 HA ARG 33 HA ARG 33 4.965 8.785 6.947 228 HB2 ARG 33 1HB ARG 33 3.278 8.274 9.404 229 HB3 ARG 33 2HB ARG 33 4.118 9.771 9.021 230 HG2 ARG 33 1HG ARG 33 2.665 9.585 6.814 231 HG3 ARG 33 2HG ARG 33 1.624 8.646 7.885 232 HD2 ARG 33 1HD ARG 33 0.882 10.899 7.998 233 HD3 ARG 33 2HD ARG 33 1.734 10.563 9.504 234 HE ARG 33 HE ARG 33 3.438 11.715 7.521 235 HH11 ARG 33 1HH1 ARG 33 1.044 12.436 9.944 236 HH12 ARG 33 2HH1 ARG 33 1.604 14.055 10.203 237 HH21 ARG 33 1HH2 ARG 33 4.184 13.845 7.853 238 HH22 ARG 33 2HH2 ARG 33 3.390 14.856 9.012 239 H ILE 34 H ILE 34 4.649 6.304 9.479 240 HA ILE 34 HA ILE 34 6.887 6.936 10.983 241 HB ILE 34 HB ILE 34 6.867 4.672 11.811 242 HG12 ILE 34 1HG1 ILE 34 4.784 3.816 9.852 243 HG13 ILE 34 2HG1 ILE 34 6.465 3.818 9.330 244 HG21 ILE 34 1HG2 ILE 34 4.151 5.832 11.251 245 HG22 ILE 34 2HG2 ILE 34 4.391 4.432 12.295 246 HG23 ILE 34 3HG2 ILE 34 5.124 5.980 12.714 247 HD11 ILE 34 3HD1 ILE 34 6.333 1.700 10.107 248 HD12 ILE 34 1HD1 ILE 34 6.771 2.506 11.613 249 HD13 ILE 34 2HD1 ILE 34 5.087 2.091 11.292 250 H HIS 35 H HIS 35 6.722 5.672 7.812 251 HA HIS 35 HA HIS 35 9.457 4.646 7.894 252 HB2 HIS 35 1HB HIS 35 7.357 4.608 5.719 253 HB3 HIS 35 2HB HIS 35 8.983 3.958 5.530 254 HD1 HIS 35 HD1 HIS 35 9.381 2.343 8.015 255 HD2 HIS 35 HD2 HIS 35 5.758 2.449 5.985 256 HE1 HIS 35 HE1 HIS 35 8.178 0.235 8.676 257 H THR 36 H THR 36 7.570 6.862 5.828 258 HA THR 36 HA THR 36 9.805 8.001 4.551 259 HB THR 36 HB THR 36 8.253 9.843 3.905 260 HG1 THR 36 HG1 THR 36 6.077 9.662 4.596 261 HG21 THR 36 3HG2 THR 36 8.283 7.254 3.046 262 HG22 THR 36 1HG2 THR 36 7.374 8.556 2.280 263 HG23 THR 36 2HG2 THR 36 6.577 7.481 3.430 264 H GLY 37 H GLY 37 11.381 9.067 5.561 265 HA2 GLY 37 1HA GLY 37 10.606 11.041 7.620 266 HA3 GLY 37 2HA GLY 37 12.042 10.039 7.772 267 H GLU 38 H GLU 38 10.549 12.626 5.898 268 HA GLU 38 HA GLU 38 13.252 13.562 5.208 269 HB2 GLU 38 1HB GLU 38 10.883 13.161 3.447 270 HB3 GLU 38 2HB GLU 38 11.916 14.548 3.130 271 HG2 GLU 38 1HG GLU 38 13.852 12.888 3.137 272 HG3 GLU 38 2HG GLU 38 12.615 11.636 3.032 273 H LYS 39 H LYS 39 13.480 15.232 6.580 274 HA LYS 39 HA LYS 39 11.649 17.481 6.271 275 HB2 LYS 39 1HB LYS 39 12.367 16.310 8.965 276 HB3 LYS 39 2HB LYS 39 11.502 17.821 8.714 277 HG2 LYS 39 1HG LYS 39 9.609 16.709 7.855 278 HG3 LYS 39 2HG LYS 39 10.488 15.189 7.681 279 HD2 LYS 39 1HD LYS 39 9.316 14.785 9.615 280 HD3 LYS 39 2HD LYS 39 10.813 15.449 10.275 281 HE2 LYS 39 1HE LYS 39 9.520 17.726 10.035 282 HE3 LYS 39 2HE LYS 39 8.103 16.678 10.081 283 HZ1 LYS 39 3HZ LYS 39 10.186 17.017 12.158 284 HZ2 LYS 39 1HZ LYS 39 9.106 15.715 12.167 285 HZ3 LYS 39 2HZ LYS 39 8.523 17.298 12.290 286 HA PRO 40 HA PRO 40 15.376 19.809 6.324 287 HB2 PRO 40 1HB PRO 40 14.429 22.214 7.154 288 HB3 PRO 40 2HB PRO 40 14.128 21.570 5.536 289 HG2 PRO 40 1HG PRO 40 12.347 21.555 7.943 290 HG3 PRO 40 2HG PRO 40 11.941 21.906 6.252 291 HD2 PRO 40 1HD PRO 40 11.434 19.509 7.405 292 HD3 PRO 40 2HD PRO 40 11.834 19.674 5.684 293 H SER 41 H SER 41 16.982 20.527 7.697 294 HA SER 41 HA SER 41 16.763 19.727 10.438 295 HB2 SER 41 1HB SER 41 18.992 21.150 8.963 296 HB3 SER 41 2HB SER 41 19.116 20.511 10.602 297 HG SER 41 HG SER 41 18.329 18.469 9.406 298 H GLY 42 H GLY 42 17.296 22.854 8.813 299 HA2 GLY 42 1HA GLY 42 17.408 24.490 11.044 300 HA3 GLY 42 2HA GLY 42 16.794 24.994 9.477 301 HA PRO 43 HA PRO 43 13.416 24.945 12.790 302 HB2 PRO 43 1HB PRO 43 13.028 27.628 12.926 303 HB3 PRO 43 2HB PRO 43 14.179 26.771 13.957 304 HG2 PRO 43 1HG PRO 43 14.677 28.329 11.450 305 HG3 PRO 43 2HG PRO 43 15.600 28.320 12.964 306 HD2 PRO 43 1HD PRO 43 16.380 26.931 10.774 307 HD3 PRO 43 2HD PRO 43 16.704 26.369 12.427 308 H SER 44 H SER 44 11.223 25.279 12.367 309 HA SER 44 HA SER 44 10.568 25.570 9.564 310 HB2 SER 44 1HB SER 44 9.090 24.697 12.017 311 HB3 SER 44 2HB SER 44 8.172 25.189 10.594 312 HG SER 44 HG SER 44 9.878 23.636 9.568 313 H SER 45 H SER 45 9.988 27.409 8.637 314 HA SER 45 HA SER 45 9.045 29.612 10.348 315 HB2 SER 45 1HB SER 45 11.213 29.777 8.887 316 HB3 SER 45 2HB SER 45 10.078 30.033 7.563 317 HG SER 45 HG SER 45 10.937 31.909 8.942 318 H GLY 46 H GLY 46 6.855 29.280 10.337 319 HA2 GLY 46 1HA GLY 46 4.705 29.402 9.545 320 HA3 GLY 46 2HA GLY 46 5.371 30.248 8.156 Start of MODEL 4 1 H1 GLY 1 H GLY 1 12.909 -7.905 6.101 2 HA2 GLY 1 1HA GLY 1 13.202 -9.707 7.593 3 HA3 GLY 1 2HA GLY 1 13.936 -8.603 8.746 4 H SER 2 H SER 2 11.133 -10.275 7.882 5 HA SER 2 HA SER 2 9.722 -9.171 10.163 6 HB2 SER 2 1HB SER 2 7.638 -8.792 8.825 7 HB3 SER 2 2HB SER 2 8.943 -7.673 8.435 8 HG SER 2 HG SER 2 7.662 -8.968 6.700 9 H SER 3 H SER 3 7.455 -10.338 10.270 10 HA SER 3 HA SER 3 8.039 -13.193 9.961 11 HB2 SER 3 1HB SER 3 7.412 -12.213 12.217 12 HB3 SER 3 2HB SER 3 5.794 -11.956 11.563 13 HG SER 3 HG SER 3 5.422 -13.961 12.021 14 H GLY 4 H GLY 4 5.993 -14.575 9.616 15 HA2 GLY 4 1HA GLY 4 4.185 -13.294 7.677 16 HA3 GLY 4 2HA GLY 4 5.055 -14.751 7.220 17 H SER 5 H SER 5 2.276 -13.495 8.685 18 HA SER 5 HA SER 5 1.255 -16.170 9.133 19 HB2 SER 5 1HB SER 5 1.628 -14.178 11.365 20 HB3 SER 5 2HB SER 5 0.405 -15.445 11.450 21 HG SER 5 HG SER 5 1.940 -16.741 12.023 22 H SER 6 H SER 6 -0.675 -16.209 8.215 23 HA SER 6 HA SER 6 -2.060 -14.225 7.045 24 HB2 SER 6 1HB SER 6 -2.594 -16.777 7.244 25 HB3 SER 6 2HB SER 6 -3.643 -16.271 8.569 26 HG SER 6 HG SER 6 -3.834 -14.863 6.173 27 H GLY 7 H GLY 7 -3.858 -12.888 7.569 28 HA2 GLY 7 1HA GLY 7 -4.791 -12.571 10.242 29 HA3 GLY 7 2HA GLY 7 -3.596 -11.345 9.847 30 H THR 8 H THR 8 -4.072 -10.483 7.439 31 HA THR 8 HA THR 8 -6.931 -9.762 7.388 32 HB THR 8 HB THR 8 -6.239 -7.562 6.441 33 HG1 THR 8 HG1 THR 8 -3.717 -8.725 6.810 34 HG21 THR 8 3HG2 THR 8 -6.320 -6.727 8.513 35 HG22 THR 8 1HG2 THR 8 -4.774 -7.456 8.944 36 HG23 THR 8 2HG2 THR 8 -6.262 -8.392 9.090 37 H GLY 9 H GLY 9 -6.409 -11.909 5.970 38 HA2 GLY 9 1HA GLY 9 -6.168 -12.837 3.858 39 HA3 GLY 9 2HA GLY 9 -7.282 -11.540 3.452 40 H GLU 10 H GLU 10 -6.547 -10.983 1.465 41 HA GLU 10 HA GLU 10 -3.758 -10.046 1.310 42 HB2 GLU 10 1HB GLU 10 -5.387 -11.663 -0.590 43 HB3 GLU 10 2HB GLU 10 -4.249 -10.505 -1.264 44 HG2 GLU 10 1HG GLU 10 -3.260 -12.714 -1.094 45 HG3 GLU 10 2HG GLU 10 -2.427 -11.563 -0.050 46 H LYS 11 H LYS 11 -5.539 -8.272 2.222 47 HA LYS 11 HA LYS 11 -7.118 -6.786 0.571 48 HB2 LYS 11 1HB LYS 11 -5.384 -6.101 2.895 49 HB3 LYS 11 2HB LYS 11 -6.061 -4.774 1.960 50 HG2 LYS 11 1HG LYS 11 -7.345 -5.641 4.017 51 HG3 LYS 11 2HG LYS 11 -8.238 -5.307 2.532 52 HD2 LYS 11 1HD LYS 11 -8.289 -7.641 1.969 53 HD3 LYS 11 2HD LYS 11 -7.215 -8.035 3.314 54 HE2 LYS 11 1HE LYS 11 -9.761 -6.623 3.917 55 HE3 LYS 11 2HE LYS 11 -9.843 -8.330 3.483 56 HZ1 LYS 11 3HZ LYS 11 -9.648 -7.941 5.893 57 HZ2 LYS 11 1HZ LYS 11 -8.133 -7.231 5.646 58 HZ3 LYS 11 2HZ LYS 11 -8.371 -8.864 5.278 59 HA PRO 12 HA PRO 12 -4.600 -5.086 -2.608 60 HB2 PRO 12 1HB PRO 12 -6.036 -2.857 -3.189 61 HB3 PRO 12 2HB PRO 12 -6.561 -4.482 -3.642 62 HG2 PRO 12 1HG PRO 12 -7.416 -2.793 -1.324 63 HG3 PRO 12 2HG PRO 12 -8.405 -3.790 -2.406 64 HD2 PRO 12 1HD PRO 12 -7.669 -4.613 0.067 65 HD3 PRO 12 2HD PRO 12 -7.887 -5.738 -1.289 66 H TYR 13 H TYR 13 -4.942 -3.683 0.420 67 HA TYR 13 HA TYR 13 -2.967 -1.594 -0.233 68 HB2 TYR 13 1HB TYR 13 -5.015 -1.574 1.995 69 HB3 TYR 13 2HB TYR 13 -3.834 -0.309 1.671 70 HD1 TYR 13 HD1 TYR 13 -4.091 1.168 -0.261 71 HD2 TYR 13 HD2 TYR 13 -6.990 -1.818 0.625 72 HE1 TYR 13 HE1 TYR 13 -5.681 2.268 -1.781 73 HE2 TYR 13 HE2 TYR 13 -8.587 -0.727 -0.893 74 HH TYR 13 HH TYR 13 -7.709 2.220 -2.676 75 H LYS 14 H LYS 14 -1.052 -2.466 0.286 76 HA LYS 14 HA LYS 14 -0.662 -3.316 3.060 77 HB2 LYS 14 1HB LYS 14 -0.842 -5.434 2.081 78 HB3 LYS 14 2HB LYS 14 -0.033 -4.926 0.605 79 HG2 LYS 14 1HG LYS 14 2.080 -4.741 1.869 80 HG3 LYS 14 2HG LYS 14 1.246 -5.359 3.297 81 HD2 LYS 14 1HD LYS 14 0.909 -7.469 2.319 82 HD3 LYS 14 2HD LYS 14 1.267 -6.868 0.698 83 HE2 LYS 14 1HE LYS 14 3.589 -6.594 1.257 84 HE3 LYS 14 2HE LYS 14 3.274 -6.996 2.944 85 HZ1 LYS 14 3HZ LYS 14 3.984 -8.737 0.937 86 HZ2 LYS 14 1HZ LYS 14 2.345 -9.049 1.217 87 HZ3 LYS 14 2HZ LYS 14 3.454 -9.145 2.491 88 H CYS 15 H CYS 15 1.095 -2.431 3.946 89 HA CYS 15 HA CYS 15 2.611 -0.480 2.683 90 HB2 CYS 15 1HB CYS 15 2.329 -0.969 5.197 91 HB3 CYS 15 2HB CYS 15 3.667 -2.096 4.994 92 H ASN 16 H ASN 16 4.383 -0.477 1.438 93 HA ASN 16 HA ASN 16 5.566 -3.070 0.758 94 HB2 ASN 16 1HB ASN 16 5.260 -0.470 -0.670 95 HB3 ASN 16 2HB ASN 16 6.645 -1.477 -1.079 96 HD21 ASN 16 1HD2 ASN 16 3.917 -0.696 -2.321 97 HD22 ASN 16 2HD2 ASN 16 3.337 -2.200 -2.943 98 H GLU 17 H GLU 17 6.150 -1.093 3.090 99 HA GLU 17 HA GLU 17 9.050 -0.870 2.645 100 HB2 GLU 17 1HB GLU 17 7.215 0.625 4.518 101 HB3 GLU 17 2HB GLU 17 8.968 0.737 4.586 102 HG2 GLU 17 1HG GLU 17 7.597 1.278 2.003 103 HG3 GLU 17 2HG GLU 17 7.543 2.499 3.274 104 H CYS 18 H CYS 18 6.578 -1.965 4.908 105 HA CYS 18 HA CYS 18 8.661 -3.476 6.348 106 HB2 CYS 18 1HB CYS 18 7.135 -3.400 8.318 107 HB3 CYS 18 2HB CYS 18 7.710 -1.813 7.818 108 H GLY 19 H GLY 19 5.349 -3.510 5.116 109 HA2 GLY 19 1HA GLY 19 4.812 -5.638 3.905 110 HA3 GLY 19 2HA GLY 19 5.384 -6.456 5.351 111 H LYS 20 H LYS 20 4.088 -4.197 6.948 112 HA LYS 20 HA LYS 20 1.836 -5.467 7.825 113 HB2 LYS 20 1HB LYS 20 2.732 -2.631 7.848 114 HB3 LYS 20 2HB LYS 20 1.058 -2.950 8.281 115 HG2 LYS 20 1HG LYS 20 2.088 -4.717 9.885 116 HG3 LYS 20 2HG LYS 20 3.564 -3.772 9.676 117 HD2 LYS 20 1HD LYS 20 2.590 -2.802 11.547 118 HD3 LYS 20 2HD LYS 20 2.059 -1.743 10.238 119 HE2 LYS 20 1HE LYS 20 0.112 -2.100 11.456 120 HE3 LYS 20 2HE LYS 20 -0.015 -3.269 10.143 121 HZ1 LYS 20 3HZ LYS 20 -0.118 -4.899 11.617 122 HZ2 LYS 20 1HZ LYS 20 -0.096 -3.767 12.874 123 HZ3 LYS 20 2HZ LYS 20 1.353 -4.435 12.312 124 H VAL 21 H VAL 21 -0.377 -5.348 7.414 125 HA VAL 21 HA VAL 21 -1.102 -4.225 4.785 126 HB VAL 21 HB VAL 21 -2.461 -6.605 6.033 127 HG11 VAL 21 1HG1 VAL 21 -2.967 -6.986 3.544 128 HG12 VAL 21 2HG1 VAL 21 -3.829 -5.690 4.376 129 HG13 VAL 21 3HG1 VAL 21 -2.463 -5.311 3.327 130 HG21 VAL 21 3HG2 VAL 21 0.073 -6.869 5.550 131 HG22 VAL 21 1HG2 VAL 21 -1.047 -8.095 4.957 132 HG23 VAL 21 2HG2 VAL 21 -0.421 -6.867 3.857 133 H PHE 22 H PHE 22 -3.175 -3.323 4.560 134 HA PHE 22 HA PHE 22 -4.753 -2.972 6.999 135 HB2 PHE 22 1HB PHE 22 -4.091 -0.615 5.240 136 HB3 PHE 22 2HB PHE 22 -4.838 -0.607 6.834 137 HD1 PHE 22 HD1 PHE 22 -1.689 -1.820 5.236 138 HD2 PHE 22 HD2 PHE 22 -3.522 0.074 8.577 139 HE1 PHE 22 HE1 PHE 22 0.524 -1.498 6.263 140 HE2 PHE 22 HE2 PHE 22 -1.313 0.399 9.610 141 HZ PHE 22 HZ PHE 22 0.714 -0.386 8.453 142 H ARG 23 H ARG 23 -6.941 -2.345 6.627 143 HA ARG 23 HA ARG 23 -8.037 -3.481 4.245 144 HB2 ARG 23 1HB ARG 23 -9.077 -3.518 6.568 145 HB3 ARG 23 2HB ARG 23 -9.526 -1.841 6.290 146 HG2 ARG 23 1HG ARG 23 -10.310 -3.972 4.344 147 HG3 ARG 23 2HG ARG 23 -11.248 -3.692 5.812 148 HD2 ARG 23 1HD ARG 23 -11.406 -1.281 5.133 149 HD3 ARG 23 2HD ARG 23 -10.677 -1.736 3.593 150 HE ARG 23 HE ARG 23 -12.975 -3.314 4.209 151 HH11 ARG 23 1HH1 ARG 23 -11.931 -0.241 2.951 152 HH12 ARG 23 2HH1 ARG 23 -13.361 0.004 2.003 153 HH21 ARG 23 1HH2 ARG 23 -14.861 -3.004 2.965 154 HH22 ARG 23 2HH2 ARG 23 -15.027 -1.568 2.013 155 H HIS 24 H HIS 24 -8.083 -0.188 5.611 156 HA HIS 24 HA HIS 24 -8.963 0.857 3.028 157 HB2 HIS 24 1HB HIS 24 -9.847 1.524 5.434 158 HB3 HIS 24 2HB HIS 24 -8.470 2.621 5.387 159 HD1 HIS 24 HD1 HIS 24 -8.926 4.824 4.361 160 HD2 HIS 24 HD2 HIS 24 -11.596 1.923 3.048 161 HE1 HIS 24 HE1 HIS 24 -10.573 6.038 2.898 162 H ASN 25 H ASN 25 -7.930 3.060 2.449 163 HA ASN 25 HA ASN 25 -5.069 2.596 2.238 164 HB2 ASN 25 1HB ASN 25 -6.268 3.187 0.205 165 HB3 ASN 25 2HB ASN 25 -6.861 4.668 0.952 166 HD21 ASN 25 1HD2 ASN 25 -5.944 6.075 -0.461 167 HD22 ASN 25 2HD2 ASN 25 -4.238 6.301 -0.617 168 H SER 26 H SER 26 -7.301 4.973 3.580 169 HA SER 26 HA SER 26 -5.545 6.990 4.275 170 HB2 SER 26 1HB SER 26 -7.867 7.386 4.582 171 HB3 SER 26 2HB SER 26 -8.043 5.985 5.638 172 HG SER 26 HG SER 26 -6.668 8.402 6.200 173 H TYR 27 H TYR 27 -6.117 3.906 5.838 174 HA TYR 27 HA TYR 27 -4.608 4.527 8.193 175 HB2 TYR 27 1HB TYR 27 -5.495 1.858 7.078 176 HB3 TYR 27 2HB TYR 27 -4.816 2.113 8.682 177 HD1 TYR 27 HD2 TYR 27 -6.159 4.436 9.700 178 HD2 TYR 27 HD1 TYR 27 -7.727 1.304 7.284 179 HE1 TYR 27 HE2 TYR 27 -8.409 4.889 10.584 180 HE2 TYR 27 HE1 TYR 27 -9.982 1.749 8.160 181 HH TYR 27 HH TYR 27 -11.199 3.731 9.186 182 H LEU 28 H LEU 28 -3.921 3.151 5.062 183 HA LEU 28 HA LEU 28 -1.366 2.075 5.752 184 HB2 LEU 28 1HB LEU 28 -2.534 1.160 3.879 185 HB3 LEU 28 2HB LEU 28 -2.652 2.743 3.113 186 HG LEU 28 HG LEU 28 -0.368 2.738 2.522 187 HD11 LEU 28 1HD1 LEU 28 -0.072 0.342 4.324 188 HD12 LEU 28 2HD1 LEU 28 0.600 1.952 4.580 189 HD13 LEU 28 3HD1 LEU 28 1.183 0.954 3.247 190 HD21 LEU 28 3HD2 LEU 28 -0.117 0.618 1.268 191 HD22 LEU 28 1HD2 LEU 28 -1.703 1.362 1.065 192 HD23 LEU 28 2HD2 LEU 28 -1.511 -0.026 2.137 193 H SER 29 H SER 29 -2.426 5.012 4.049 194 HA SER 29 HA SER 29 0.125 6.063 3.554 195 HB2 SER 29 1HB SER 29 -2.605 7.303 3.795 196 HB3 SER 29 2HB SER 29 -1.178 8.306 3.537 197 HG SER 29 HG SER 29 -1.632 6.079 1.886 198 H ARG 30 H ARG 30 -2.171 6.907 6.151 199 HA ARG 30 HA ARG 30 -0.559 8.668 7.550 200 HB2 ARG 30 1HB ARG 30 -2.082 8.504 9.291 201 HB3 ARG 30 2HB ARG 30 -3.039 7.974 7.915 202 HG2 ARG 30 1HG ARG 30 -2.703 5.656 8.535 203 HG3 ARG 30 2HG ARG 30 -1.665 6.147 9.874 204 HD2 ARG 30 1HD ARG 30 -4.562 6.924 9.568 205 HD3 ARG 30 2HD ARG 30 -3.981 5.592 10.566 206 HE ARG 30 HE ARG 30 -2.635 7.939 11.308 207 HH11 ARG 30 1HH1 ARG 30 -5.811 6.518 11.443 208 HH12 ARG 30 2HH1 ARG 30 -6.271 7.365 12.883 209 HH21 ARG 30 1HH2 ARG 30 -3.230 9.060 13.204 210 HH22 ARG 30 2HH2 ARG 30 -4.803 8.811 13.883 211 H HIS 31 H HIS 31 -0.382 5.220 7.339 212 HA HIS 31 HA HIS 31 1.238 4.868 9.688 213 HB2 HIS 31 1HB HIS 31 0.002 2.959 9.135 214 HB3 HIS 31 2HB HIS 31 0.392 3.087 7.422 215 HD1 HIS 31 HD1 HIS 31 2.047 2.179 10.707 216 HD2 HIS 31 HD2 HIS 31 2.525 1.586 6.623 217 HE1 HIS 31 HE1 HIS 31 3.919 0.515 10.484 218 H GLN 32 H GLN 32 1.821 4.926 6.188 219 HA GLN 32 HA GLN 32 4.492 4.308 6.099 220 HB2 GLN 32 1HB GLN 32 2.891 6.268 4.463 221 HB3 GLN 32 2HB GLN 32 4.573 5.900 4.105 222 HG2 GLN 32 1HG GLN 32 3.881 3.476 3.969 223 HG3 GLN 32 2HG GLN 32 2.214 4.046 4.015 224 HE21 GLN 32 1HE2 GLN 32 1.965 3.076 1.938 225 HE22 GLN 32 2HE2 GLN 32 2.515 3.895 0.520 226 H ARG 33 H ARG 33 3.031 7.037 7.542 227 HA ARG 33 HA ARG 33 4.927 9.026 7.333 228 HB2 ARG 33 1HB ARG 33 3.383 8.329 9.836 229 HB3 ARG 33 2HB ARG 33 4.082 9.893 9.438 230 HG2 ARG 33 1HG ARG 33 2.094 8.690 7.578 231 HG3 ARG 33 2HG ARG 33 1.534 9.424 9.082 232 HD2 ARG 33 1HD ARG 33 1.444 11.199 7.601 233 HD3 ARG 33 2HD ARG 33 3.016 11.424 8.367 234 HE ARG 33 HE ARG 33 3.991 11.092 6.333 235 HH11 ARG 33 1HH1 ARG 33 0.773 9.766 6.254 236 HH12 ARG 33 2HH1 ARG 33 0.831 9.387 4.564 237 HH21 ARG 33 1HH2 ARG 33 4.079 10.597 4.108 238 HH22 ARG 33 2HH2 ARG 33 2.712 9.859 3.345 239 H ILE 34 H ILE 34 4.883 6.255 9.532 240 HA ILE 34 HA ILE 34 7.195 7.000 10.995 241 HB ILE 34 HB ILE 34 7.196 4.758 11.880 242 HG12 ILE 34 1HG1 ILE 34 4.944 3.902 10.116 243 HG13 ILE 34 2HG1 ILE 34 6.577 3.855 9.460 244 HG21 ILE 34 1HG2 ILE 34 5.580 5.966 12.990 245 HG22 ILE 34 2HG2 ILE 34 4.563 6.125 11.558 246 HG23 ILE 34 3HG2 ILE 34 4.647 4.585 12.413 247 HD11 ILE 34 3HD1 ILE 34 6.764 2.657 11.967 248 HD12 ILE 34 1HD1 ILE 34 5.272 2.037 11.259 249 HD13 ILE 34 2HD1 ILE 34 6.799 1.863 10.392 250 H HIS 35 H HIS 35 6.752 5.681 7.876 251 HA HIS 35 HA HIS 35 9.380 4.459 7.742 252 HB2 HIS 35 1HB HIS 35 7.085 4.740 5.826 253 HB3 HIS 35 2HB HIS 35 8.673 4.247 5.248 254 HD1 HIS 35 HD1 HIS 35 9.636 1.994 6.371 255 HD2 HIS 35 HD2 HIS 35 5.581 2.731 6.894 256 HE1 HIS 35 HE1 HIS 35 8.637 -0.206 7.071 257 H THR 36 H THR 36 7.694 7.165 6.157 258 HA THR 36 HA THR 36 10.280 8.205 5.252 259 HB THR 36 HB THR 36 8.734 8.140 3.460 260 HG1 THR 36 HG1 THR 36 9.888 10.226 3.923 261 HG21 THR 36 3HG2 THR 36 6.612 7.866 4.313 262 HG22 THR 36 1HG2 THR 36 6.536 9.547 3.786 263 HG23 THR 36 2HG2 THR 36 6.799 9.168 5.488 264 H GLY 37 H GLY 37 11.145 10.065 6.003 265 HA2 GLY 37 1HA GLY 37 9.748 12.184 7.191 266 HA3 GLY 37 2HA GLY 37 10.296 11.115 8.474 267 H GLU 38 H GLU 38 12.516 10.894 8.878 268 HA GLU 38 HA GLU 38 14.197 12.936 7.577 269 HB2 GLU 38 1HB GLU 38 14.118 12.063 10.464 270 HB3 GLU 38 2HB GLU 38 15.443 12.997 9.785 271 HG2 GLU 38 1HG GLU 38 14.114 14.619 10.740 272 HG3 GLU 38 2HG GLU 38 13.608 14.650 9.051 273 H LYS 39 H LYS 39 16.048 12.264 6.693 274 HA LYS 39 HA LYS 39 16.898 9.495 7.229 275 HB2 LYS 39 1HB LYS 39 16.858 11.161 4.751 276 HB3 LYS 39 2HB LYS 39 18.120 9.948 4.923 277 HG2 LYS 39 1HG LYS 39 16.550 8.702 3.861 278 HG3 LYS 39 2HG LYS 39 16.058 8.409 5.531 279 HD2 LYS 39 1HD LYS 39 14.038 8.976 4.618 280 HD3 LYS 39 2HD LYS 39 14.603 10.573 5.114 281 HE2 LYS 39 1HE LYS 39 15.093 9.452 2.366 282 HE3 LYS 39 2HE LYS 39 13.650 10.381 2.771 283 HZ1 LYS 39 3HZ LYS 39 16.400 11.272 2.446 284 HZ2 LYS 39 1HZ LYS 39 15.523 12.007 3.692 285 HZ3 LYS 39 2HZ LYS 39 14.953 12.077 2.101 286 HA PRO 40 HA PRO 40 20.785 10.867 8.736 287 HB2 PRO 40 1HB PRO 40 22.443 8.922 7.818 288 HB3 PRO 40 2HB PRO 40 21.286 8.659 9.129 289 HG2 PRO 40 1HG PRO 40 21.055 7.954 6.229 290 HG3 PRO 40 2HG PRO 40 20.611 6.995 7.652 291 HD2 PRO 40 1HD PRO 40 18.786 8.356 6.187 292 HD3 PRO 40 2HD PRO 40 18.613 8.108 7.936 293 H SER 41 H SER 41 23.287 10.677 7.741 294 HA SER 41 HA SER 41 23.747 12.836 6.228 295 HB2 SER 41 1HB SER 41 25.232 10.208 5.999 296 HB3 SER 41 2HB SER 41 25.836 11.757 5.411 297 HG SER 41 HG SER 41 26.673 11.690 7.386 298 H GLY 42 H GLY 42 22.853 13.517 4.400 299 HA2 GLY 42 1HA GLY 42 23.223 12.497 1.904 300 HA3 GLY 42 2HA GLY 42 21.771 11.680 2.463 301 HA PRO 43 HA PRO 43 20.871 16.451 2.100 302 HB2 PRO 43 1HB PRO 43 22.506 17.760 0.374 303 HB3 PRO 43 2HB PRO 43 22.834 17.645 2.107 304 HG2 PRO 43 1HG PRO 43 23.972 16.037 -0.147 305 HG3 PRO 43 2HG PRO 43 24.797 16.730 1.262 306 HD2 PRO 43 1HD PRO 43 24.096 14.118 1.122 307 HD3 PRO 43 2HD PRO 43 24.128 15.018 2.652 308 H SER 44 H SER 44 21.396 14.031 -0.116 309 HA SER 44 HA SER 44 20.777 14.955 -2.604 310 HB2 SER 44 1HB SER 44 19.907 12.782 -3.117 311 HB3 SER 44 2HB SER 44 21.189 12.554 -1.927 312 HG SER 44 HG SER 44 19.319 11.351 -1.402 313 H SER 45 H SER 45 18.754 14.991 -3.818 314 HA SER 45 HA SER 45 16.836 16.667 -2.631 315 HB2 SER 45 1HB SER 45 15.581 16.422 -4.703 316 HB3 SER 45 2HB SER 45 17.299 16.576 -5.071 317 HG SER 45 HG SER 45 17.340 14.576 -5.781 318 H GLY 46 H GLY 46 14.707 16.305 -1.984 319 HA2 GLY 46 1HA GLY 46 12.900 14.506 -1.981 320 HA3 GLY 46 2HA GLY 46 14.142 13.507 -1.241 Start of MODEL 5 1 H1 GLY 1 H GLY 1 16.087 -23.940 5.053 2 HA2 GLY 1 1HA GLY 1 14.479 -22.857 6.318 3 HA3 GLY 1 2HA GLY 1 15.325 -21.437 5.722 4 H SER 2 H SER 2 12.390 -22.271 6.270 5 HA SER 2 HA SER 2 11.318 -21.328 3.691 6 HB2 SER 2 1HB SER 2 10.469 -23.524 4.075 7 HB3 SER 2 2HB SER 2 10.109 -23.164 5.763 8 HG SER 2 HG SER 2 8.890 -21.676 3.711 9 H SER 3 H SER 3 10.749 -19.267 3.775 10 HA SER 3 HA SER 3 10.176 -17.963 6.285 11 HB2 SER 3 1HB SER 3 10.043 -16.855 3.470 12 HB3 SER 3 2HB SER 3 10.039 -15.915 4.963 13 HG SER 3 HG SER 3 12.136 -16.580 5.359 14 H GLY 4 H GLY 4 8.386 -18.250 3.206 15 HA2 GLY 4 1HA GLY 4 5.983 -19.141 4.229 16 HA3 GLY 4 2HA GLY 4 5.926 -17.390 4.367 17 H SER 5 H SER 5 4.626 -19.598 2.603 18 HA SER 5 HA SER 5 5.195 -18.362 -0.004 19 HB2 SER 5 1HB SER 5 4.090 -21.058 0.767 20 HB3 SER 5 2HB SER 5 3.913 -20.421 -0.868 21 HG SER 5 HG SER 5 6.373 -20.064 -0.486 22 H SER 6 H SER 6 2.405 -19.791 1.704 23 HA SER 6 HA SER 6 0.739 -17.643 0.562 24 HB2 SER 6 1HB SER 6 0.133 -19.780 -0.426 25 HB3 SER 6 2HB SER 6 -0.023 -20.509 1.173 26 HG SER 6 HG SER 6 -1.534 -18.228 0.645 27 H GLY 7 H GLY 7 -0.060 -16.283 2.012 28 HA2 GLY 7 1HA GLY 7 -0.094 -17.086 4.834 29 HA3 GLY 7 2HA GLY 7 -0.164 -15.437 4.230 30 H THR 8 H THR 8 -1.913 -15.667 6.034 31 HA THR 8 HA THR 8 -4.437 -16.636 4.896 32 HB THR 8 HB THR 8 -3.787 -15.773 7.721 33 HG1 THR 8 HG1 THR 8 -4.202 -18.103 8.047 34 HG21 THR 8 3HG2 THR 8 -6.325 -16.390 6.344 35 HG22 THR 8 1HG2 THR 8 -6.021 -15.399 7.770 36 HG23 THR 8 2HG2 THR 8 -6.096 -17.155 7.916 37 H GLY 9 H GLY 9 -5.764 -15.233 3.959 38 HA2 GLY 9 1HA GLY 9 -6.890 -13.290 3.477 39 HA3 GLY 9 2HA GLY 9 -6.461 -12.736 5.089 40 H GLU 10 H GLU 10 -6.451 -11.545 2.248 41 HA GLU 10 HA GLU 10 -4.006 -10.038 2.637 42 HB2 GLU 10 1HB GLU 10 -3.592 -10.384 0.053 43 HB3 GLU 10 2HB GLU 10 -2.936 -11.505 1.237 44 HG2 GLU 10 1HG GLU 10 -4.686 -13.078 0.819 45 HG3 GLU 10 2HG GLU 10 -5.536 -11.928 -0.213 46 H LYS 11 H LYS 11 -4.456 -7.966 2.333 47 HA LYS 11 HA LYS 11 -6.873 -7.243 0.853 48 HB2 LYS 11 1HB LYS 11 -5.256 -5.970 3.003 49 HB3 LYS 11 2HB LYS 11 -6.111 -4.906 1.893 50 HG2 LYS 11 1HG LYS 11 -7.658 -5.155 3.562 51 HG3 LYS 11 2HG LYS 11 -8.151 -6.432 2.448 52 HD2 LYS 11 1HD LYS 11 -6.165 -7.100 4.559 53 HD3 LYS 11 2HD LYS 11 -7.849 -6.884 5.040 54 HE2 LYS 11 1HE LYS 11 -7.265 -8.594 2.678 55 HE3 LYS 11 2HE LYS 11 -6.903 -9.236 4.280 56 HZ1 LYS 11 3HZ LYS 11 -9.290 -8.481 4.814 57 HZ2 LYS 11 1HZ LYS 11 -9.067 -9.905 3.928 58 HZ3 LYS 11 2HZ LYS 11 -9.510 -8.477 3.137 59 HA PRO 12 HA PRO 12 -4.789 -5.488 -2.587 60 HB2 PRO 12 1HB PRO 12 -6.283 -3.278 -3.096 61 HB3 PRO 12 2HB PRO 12 -6.853 -4.920 -3.421 62 HG2 PRO 12 1HG PRO 12 -7.448 -3.134 -1.093 63 HG3 PRO 12 2HG PRO 12 -8.550 -4.171 -2.018 64 HD2 PRO 12 1HD PRO 12 -7.544 -4.895 0.390 65 HD3 PRO 12 2HD PRO 12 -7.909 -6.074 -0.886 66 H TYR 13 H TYR 13 -4.776 -3.978 0.403 67 HA TYR 13 HA TYR 13 -2.873 -1.937 -0.547 68 HB2 TYR 13 1HB TYR 13 -4.755 -1.774 1.816 69 HB3 TYR 13 2HB TYR 13 -3.543 -0.566 1.404 70 HD1 TYR 13 HD1 TYR 13 -3.826 0.851 -0.583 71 HD2 TYR 13 HD2 TYR 13 -6.818 -1.937 0.590 72 HE1 TYR 13 HE1 TYR 13 -5.446 1.983 -2.047 73 HE2 TYR 13 HE2 TYR 13 -8.446 -0.813 -0.872 74 HH TYR 13 HH TYR 13 -8.691 1.600 -1.838 75 H LYS 14 H LYS 14 -0.900 -2.674 -0.105 76 HA LYS 14 HA LYS 14 -0.356 -3.610 2.628 77 HB2 LYS 14 1HB LYS 14 -0.490 -5.495 0.912 78 HB3 LYS 14 2HB LYS 14 0.969 -4.816 0.203 79 HG2 LYS 14 1HG LYS 14 1.831 -5.002 2.697 80 HG3 LYS 14 2HG LYS 14 0.593 -6.259 2.766 81 HD2 LYS 14 1HD LYS 14 2.361 -7.516 2.054 82 HD3 LYS 14 2HD LYS 14 1.735 -6.991 0.489 83 HE2 LYS 14 1HE LYS 14 3.345 -5.079 0.584 84 HE3 LYS 14 2HE LYS 14 4.041 -5.809 2.030 85 HZ1 LYS 14 3HZ LYS 14 4.949 -6.295 -0.402 86 HZ2 LYS 14 1HZ LYS 14 3.794 -7.527 -0.308 87 HZ3 LYS 14 2HZ LYS 14 5.029 -7.437 0.844 88 H CYS 15 H CYS 15 1.332 -2.645 3.572 89 HA CYS 15 HA CYS 15 2.650 -0.480 2.333 90 HB2 CYS 15 1HB CYS 15 2.232 -0.856 4.828 91 HB3 CYS 15 2HB CYS 15 3.638 -1.915 4.794 92 H ASN 16 H ASN 16 4.301 -0.481 0.969 93 HA ASN 16 HA ASN 16 5.837 -2.917 0.567 94 HB2 ASN 16 1HB ASN 16 4.847 -1.314 -1.264 95 HB3 ASN 16 2HB ASN 16 6.319 -0.392 -0.971 96 HD21 ASN 16 1HD2 ASN 16 6.064 -1.270 -3.418 97 HD22 ASN 16 2HD2 ASN 16 7.073 -2.637 -3.733 98 H GLU 17 H GLU 17 6.098 -0.832 2.858 99 HA GLU 17 HA GLU 17 8.965 -0.267 2.558 100 HB2 GLU 17 1HB GLU 17 6.837 0.902 4.342 101 HB3 GLU 17 2HB GLU 17 8.550 1.178 4.629 102 HG2 GLU 17 1HG GLU 17 7.315 1.782 1.972 103 HG3 GLU 17 2HG GLU 17 7.221 2.929 3.307 104 H CYS 18 H CYS 18 6.602 -1.849 4.628 105 HA CYS 18 HA CYS 18 8.816 -3.245 5.970 106 HB2 CYS 18 1HB CYS 18 7.523 -3.206 8.075 107 HB3 CYS 18 2HB CYS 18 7.954 -1.588 7.532 108 H GLY 19 H GLY 19 5.349 -3.267 5.204 109 HA2 GLY 19 1HA GLY 19 4.855 -5.460 3.928 110 HA3 GLY 19 2HA GLY 19 5.362 -6.200 5.440 111 H LYS 20 H LYS 20 4.129 -3.944 6.971 112 HA LYS 20 HA LYS 20 1.832 -5.023 7.854 113 HB2 LYS 20 1HB LYS 20 2.741 -2.200 7.606 114 HB3 LYS 20 2HB LYS 20 1.062 -2.475 8.053 115 HG2 LYS 20 1HG LYS 20 3.163 -3.961 9.534 116 HG3 LYS 20 2HG LYS 20 2.963 -2.238 9.862 117 HD2 LYS 20 1HD LYS 20 0.623 -2.583 10.398 118 HD3 LYS 20 2HD LYS 20 0.754 -4.292 9.978 119 HE2 LYS 20 1HE LYS 20 0.995 -4.434 12.243 120 HE3 LYS 20 2HE LYS 20 2.683 -4.223 11.779 121 HZ1 LYS 20 3HZ LYS 20 0.868 -2.340 13.094 122 HZ2 LYS 20 1HZ LYS 20 2.049 -1.708 12.059 123 HZ3 LYS 20 2HZ LYS 20 2.505 -2.647 13.390 124 H VAL 21 H VAL 21 -0.435 -4.659 7.482 125 HA VAL 21 HA VAL 21 -1.123 -3.777 4.766 126 HB VAL 21 HB VAL 21 -2.538 -6.156 5.879 127 HG11 VAL 21 1HG1 VAL 21 -2.956 -6.652 3.589 128 HG12 VAL 21 2HG1 VAL 21 -3.254 -4.927 3.810 129 HG13 VAL 21 3HG1 VAL 21 -1.758 -5.475 3.052 130 HG21 VAL 21 3HG2 VAL 21 -0.832 -7.535 4.517 131 HG22 VAL 21 1HG2 VAL 21 0.231 -6.144 4.737 132 HG23 VAL 21 2HG2 VAL 21 -0.391 -7.011 6.142 133 H PHE 22 H PHE 22 -3.238 -2.995 4.506 134 HA PHE 22 HA PHE 22 -4.913 -2.790 6.890 135 HB2 PHE 22 1HB PHE 22 -4.218 -0.337 5.272 136 HB3 PHE 22 2HB PHE 22 -5.117 -0.410 6.784 137 HD1 PHE 22 HD1 PHE 22 -1.777 -1.362 5.421 138 HD2 PHE 22 HD2 PHE 22 -4.012 0.145 8.715 139 HE1 PHE 22 HE1 PHE 22 0.312 -1.009 6.673 140 HE2 PHE 22 HE2 PHE 22 -1.927 0.501 9.972 141 HZ PHE 22 HZ PHE 22 0.239 -0.075 8.950 142 H ARG 23 H ARG 23 -7.026 -1.587 6.273 143 HA ARG 23 HA ARG 23 -8.011 -2.861 3.842 144 HB2 ARG 23 1HB ARG 23 -9.430 -1.522 6.149 145 HB3 ARG 23 2HB ARG 23 -10.256 -2.175 4.741 146 HG2 ARG 23 1HG ARG 23 -10.456 -3.937 6.163 147 HG3 ARG 23 2HG ARG 23 -8.923 -4.352 5.394 148 HD2 ARG 23 1HD ARG 23 -7.675 -3.565 7.240 149 HD3 ARG 23 2HD ARG 23 -9.078 -2.756 7.937 150 HE ARG 23 HE ARG 23 -9.633 -5.492 7.762 151 HH11 ARG 23 1HH1 ARG 23 -7.529 -3.316 9.483 152 HH12 ARG 23 2HH1 ARG 23 -7.416 -4.326 10.886 153 HH21 ARG 23 1HH2 ARG 23 -9.492 -6.831 9.604 154 HH22 ARG 23 2HH2 ARG 23 -8.532 -6.326 10.953 155 H HIS 24 H HIS 24 -8.347 0.332 5.404 156 HA HIS 24 HA HIS 24 -8.980 1.512 2.809 157 HB2 HIS 24 1HB HIS 24 -10.220 1.981 5.055 158 HB3 HIS 24 2HB HIS 24 -8.861 3.052 5.383 159 HD1 HIS 24 HD1 HIS 24 -9.652 5.355 4.970 160 HD2 HIS 24 HD2 HIS 24 -11.014 2.712 2.068 161 HE1 HIS 24 HE1 HIS 24 -10.893 6.769 3.301 162 H ASN 25 H ASN 25 -7.665 2.866 1.714 163 HA ASN 25 HA ASN 25 -4.923 2.829 2.073 164 HB2 ASN 25 1HB ASN 25 -6.180 3.510 -0.009 165 HB3 ASN 25 2HB ASN 25 -6.437 5.081 0.744 166 HD21 ASN 25 1HD2 ASN 25 -5.267 5.501 -1.409 167 HD22 ASN 25 2HD2 ASN 25 -3.550 5.656 -1.300 168 H SER 26 H SER 26 -7.315 4.952 3.464 169 HA SER 26 HA SER 26 -5.738 7.085 4.280 170 HB2 SER 26 1HB SER 26 -8.225 6.964 4.477 171 HB3 SER 26 2HB SER 26 -8.026 5.870 5.846 172 HG SER 26 HG SER 26 -6.596 7.738 6.624 173 H TYR 27 H TYR 27 -6.370 4.012 5.937 174 HA TYR 27 HA TYR 27 -4.770 4.637 8.209 175 HB2 TYR 27 1HB TYR 27 -5.576 1.896 7.223 176 HB3 TYR 27 2HB TYR 27 -5.096 2.337 8.859 177 HD1 TYR 27 HD2 TYR 27 -6.609 4.578 9.621 178 HD2 TYR 27 HD1 TYR 27 -7.812 1.375 7.091 179 HE1 TYR 27 HE2 TYR 27 -8.960 5.014 10.196 180 HE2 TYR 27 HE1 TYR 27 -10.166 1.803 7.658 181 HH TYR 27 HH TYR 27 -11.563 2.941 8.987 182 H LEU 28 H LEU 28 -4.159 3.165 5.104 183 HA LEU 28 HA LEU 28 -1.644 2.013 5.742 184 HB2 LEU 28 1HB LEU 28 -2.725 1.164 3.842 185 HB3 LEU 28 2HB LEU 28 -2.997 2.773 3.175 186 HG LEU 28 HG LEU 28 -0.609 2.971 2.678 187 HD11 LEU 28 1HD1 LEU 28 -0.503 0.293 4.013 188 HD12 LEU 28 2HD1 LEU 28 0.502 1.715 4.288 189 HD13 LEU 28 3HD1 LEU 28 0.703 0.765 2.816 190 HD21 LEU 28 3HD2 LEU 28 -0.572 1.525 0.808 191 HD22 LEU 28 1HD2 LEU 28 -2.267 1.925 1.085 192 HD23 LEU 28 2HD2 LEU 28 -1.636 0.359 1.595 193 H SER 29 H SER 29 -2.632 5.133 4.411 194 HA SER 29 HA SER 29 -0.020 6.077 3.858 195 HB2 SER 29 1HB SER 29 -2.707 7.378 4.167 196 HB3 SER 29 2HB SER 29 -1.257 8.375 4.041 197 HG SER 29 HG SER 29 -0.871 7.563 2.031 198 H ARG 30 H ARG 30 -2.250 6.819 6.541 199 HA ARG 30 HA ARG 30 -0.551 8.433 8.024 200 HB2 ARG 30 1HB ARG 30 -2.094 8.277 9.723 201 HB3 ARG 30 2HB ARG 30 -3.070 7.748 8.359 202 HG2 ARG 30 1HG ARG 30 -2.712 5.427 8.972 203 HG3 ARG 30 2HG ARG 30 -1.673 5.927 10.308 204 HD2 ARG 30 1HD ARG 30 -3.593 7.158 11.278 205 HD3 ARG 30 2HD ARG 30 -4.611 6.526 9.984 206 HE ARG 30 HE ARG 30 -3.300 4.419 11.354 207 HH11 ARG 30 1HH1 ARG 30 -5.910 6.702 11.662 208 HH12 ARG 30 2HH1 ARG 30 -6.834 5.700 12.731 209 HH21 ARG 30 1HH2 ARG 30 -4.508 3.090 12.760 210 HH22 ARG 30 2HH2 ARG 30 -6.035 3.645 13.356 211 H HIS 31 H HIS 31 -0.388 5.062 7.460 212 HA HIS 31 HA HIS 31 1.229 4.498 9.801 213 HB2 HIS 31 1HB HIS 31 -0.062 2.645 9.286 214 HB3 HIS 31 2HB HIS 31 0.110 2.878 7.549 215 HD1 HIS 31 HD1 HIS 31 1.778 1.313 10.495 216 HD2 HIS 31 HD2 HIS 31 2.412 1.738 6.412 217 HE1 HIS 31 HE1 HIS 31 3.622 -0.300 9.930 218 H GLN 32 H GLN 32 1.703 4.315 6.270 219 HA GLN 32 HA GLN 32 4.317 3.682 6.073 220 HB2 GLN 32 1HB GLN 32 2.748 5.728 4.515 221 HB3 GLN 32 2HB GLN 32 4.401 5.301 4.093 222 HG2 GLN 32 1HG GLN 32 3.548 2.883 4.037 223 HG3 GLN 32 2HG GLN 32 1.939 3.603 3.994 224 HE21 GLN 32 1HE2 GLN 32 1.532 2.802 1.939 225 HE22 GLN 32 2HE2 GLN 32 2.280 3.460 0.528 226 H ARG 33 H ARG 33 3.031 6.602 7.408 227 HA ARG 33 HA ARG 33 5.117 8.384 7.185 228 HB2 ARG 33 1HB ARG 33 3.471 7.983 9.687 229 HB3 ARG 33 2HB ARG 33 4.273 9.460 9.170 230 HG2 ARG 33 1HG ARG 33 2.725 9.140 7.054 231 HG3 ARG 33 2HG ARG 33 1.749 8.232 8.211 232 HD2 ARG 33 1HD ARG 33 0.978 10.490 8.222 233 HD3 ARG 33 2HD ARG 33 1.849 10.212 9.729 234 HE ARG 33 HE ARG 33 3.536 11.303 7.705 235 HH11 ARG 33 1HH1 ARG 33 1.113 12.110 10.071 236 HH12 ARG 33 2HH1 ARG 33 1.652 13.746 10.256 237 HH21 ARG 33 1HH2 ARG 33 4.254 13.455 7.939 238 HH22 ARG 33 2HH2 ARG 33 3.438 14.511 9.041 239 H ILE 34 H ILE 34 4.711 5.787 9.563 240 HA ILE 34 HA ILE 34 6.810 6.268 11.257 241 HB ILE 34 HB ILE 34 6.895 3.905 11.736 242 HG12 ILE 34 1HG1 ILE 34 5.013 3.243 9.514 243 HG13 ILE 34 2HG1 ILE 34 6.723 3.418 9.133 244 HG21 ILE 34 1HG2 ILE 34 4.981 5.087 12.602 245 HG22 ILE 34 2HG2 ILE 34 4.102 4.840 11.094 246 HG23 ILE 34 3HG2 ILE 34 4.491 3.462 12.123 247 HD11 ILE 34 3HD1 ILE 34 7.267 1.486 10.122 248 HD12 ILE 34 1HD1 ILE 34 6.141 1.730 11.458 249 HD13 ILE 34 2HD1 ILE 34 5.556 1.115 9.912 250 H HIS 35 H HIS 35 6.958 5.440 7.933 251 HA HIS 35 HA HIS 35 9.768 4.646 8.106 252 HB2 HIS 35 1HB HIS 35 7.996 4.755 5.659 253 HB3 HIS 35 2HB HIS 35 9.568 3.972 5.794 254 HD1 HIS 35 HD1 HIS 35 9.370 2.187 8.120 255 HD2 HIS 35 HD2 HIS 35 6.130 2.816 5.597 256 HE1 HIS 35 HE1 HIS 35 7.869 0.196 8.444 257 H THR 36 H THR 36 7.817 6.856 6.093 258 HA THR 36 HA THR 36 10.111 8.707 6.085 259 HB THR 36 HB THR 36 10.022 7.922 3.869 260 HG1 THR 36 HG1 THR 36 8.373 10.245 3.833 261 HG21 THR 36 3HG2 THR 36 7.048 8.400 3.772 262 HG22 THR 36 1HG2 THR 36 7.760 6.834 4.157 263 HG23 THR 36 2HG2 THR 36 8.052 7.572 2.582 264 H GLY 37 H GLY 37 9.667 10.921 6.184 265 HA2 GLY 37 1HA GLY 37 6.938 11.862 6.313 266 HA3 GLY 37 2HA GLY 37 7.760 11.849 7.866 267 H GLU 38 H GLU 38 8.095 13.949 8.294 268 HA GLU 38 HA GLU 38 9.668 15.476 6.332 269 HB2 GLU 38 1HB GLU 38 7.183 16.130 6.518 270 HB3 GLU 38 2HB GLU 38 7.608 16.776 8.097 271 HG2 GLU 38 1HG GLU 38 9.156 17.598 5.682 272 HG3 GLU 38 2HG GLU 38 7.591 18.331 6.028 273 H LYS 39 H LYS 39 11.567 16.016 7.153 274 HA LYS 39 HA LYS 39 11.882 16.147 10.064 275 HB2 LYS 39 1HB LYS 39 13.436 14.649 9.046 276 HB3 LYS 39 2HB LYS 39 13.861 15.826 7.810 277 HG2 LYS 39 1HG LYS 39 14.643 17.255 9.850 278 HG3 LYS 39 2HG LYS 39 14.693 15.692 10.668 279 HD2 LYS 39 1HD LYS 39 15.981 15.979 7.991 280 HD3 LYS 39 2HD LYS 39 16.806 16.615 9.416 281 HE2 LYS 39 1HE LYS 39 17.647 14.483 9.356 282 HE3 LYS 39 2HE LYS 39 16.249 14.250 10.404 283 HZ1 LYS 39 3HZ LYS 39 16.762 13.210 7.766 284 HZ2 LYS 39 1HZ LYS 39 15.210 13.860 7.948 285 HZ3 LYS 39 2HZ LYS 39 15.736 12.627 8.979 286 HA PRO 40 HA PRO 40 12.216 20.537 10.025 287 HB2 PRO 40 1HB PRO 40 13.644 20.878 12.309 288 HB3 PRO 40 2HB PRO 40 11.934 20.428 12.303 289 HG2 PRO 40 1HG PRO 40 14.349 18.692 12.650 290 HG3 PRO 40 2HG PRO 40 12.813 18.664 13.537 291 HD2 PRO 40 1HD PRO 40 13.380 16.915 11.549 292 HD3 PRO 40 2HD PRO 40 11.731 17.486 11.877 293 H SER 41 H SER 41 13.497 21.168 8.338 294 HA SER 41 HA SER 41 16.237 21.816 8.945 295 HB2 SER 41 1HB SER 41 17.267 20.583 7.143 296 HB3 SER 41 2HB SER 41 16.364 19.444 8.142 297 HG SER 41 HG SER 41 14.771 19.369 6.602 298 H GLY 42 H GLY 42 16.445 23.829 8.243 299 HA2 GLY 42 1HA GLY 42 16.661 25.329 6.362 300 HA3 GLY 42 2HA GLY 42 15.280 24.530 5.627 301 HA PRO 43 HA PRO 43 13.720 28.453 7.465 302 HB2 PRO 43 1HB PRO 43 12.037 29.002 5.406 303 HB3 PRO 43 2HB PRO 43 13.745 29.459 5.400 304 HG2 PRO 43 1HG PRO 43 12.406 27.119 4.099 305 HG3 PRO 43 2HG PRO 43 13.656 28.196 3.449 306 HD2 PRO 43 1HD PRO 43 14.220 25.739 4.436 307 HD3 PRO 43 2HD PRO 43 15.354 27.099 4.556 308 H SER 44 H SER 44 12.524 27.584 9.118 309 HA SER 44 HA SER 44 9.887 26.490 8.384 310 HB2 SER 44 1HB SER 44 11.207 24.706 9.342 311 HB3 SER 44 2HB SER 44 11.667 25.722 10.708 312 HG SER 44 HG SER 44 9.467 24.201 10.384 313 H SER 45 H SER 45 8.858 28.486 8.516 314 HA SER 45 HA SER 45 9.074 30.490 10.325 315 HB2 SER 45 1HB SER 45 6.749 31.040 9.903 316 HB3 SER 45 2HB SER 45 7.475 30.443 8.411 317 HG SER 45 HG SER 45 6.164 28.797 8.441 318 H GLY 46 H GLY 46 7.235 27.488 10.786 319 HA2 GLY 46 1HA GLY 46 7.712 26.900 13.339 320 HA3 GLY 46 2HA GLY 46 6.591 28.241 13.526 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.913 -23.530 17.221 2 HA2 GLY 1 1HA GLY 1 9.949 -21.520 19.084 3 HA3 GLY 1 2HA GLY 1 10.786 -20.893 17.671 4 H SER 2 H SER 2 8.352 -20.003 17.843 5 HA SER 2 HA SER 2 7.026 -21.124 15.572 6 HB2 SER 2 1HB SER 2 6.218 -22.686 17.289 7 HB3 SER 2 2HB SER 2 5.637 -21.331 18.256 8 HG SER 2 HG SER 2 3.872 -21.841 17.155 9 H SER 3 H SER 3 5.733 -19.646 14.587 10 HA SER 3 HA SER 3 5.501 -17.036 15.920 11 HB2 SER 3 1HB SER 3 5.390 -16.048 13.718 12 HB3 SER 3 2HB SER 3 6.768 -17.147 13.761 13 HG SER 3 HG SER 3 5.827 -18.386 12.332 14 H GLY 4 H GLY 4 3.554 -15.725 15.167 15 HA2 GLY 4 1HA GLY 4 1.187 -17.386 15.581 16 HA3 GLY 4 2HA GLY 4 1.266 -15.636 15.719 17 H SER 5 H SER 5 -0.819 -16.822 14.392 18 HA SER 5 HA SER 5 -0.224 -16.680 11.540 19 HB2 SER 5 1HB SER 5 -2.621 -17.561 13.133 20 HB3 SER 5 2HB SER 5 -2.740 -17.264 11.399 21 HG SER 5 HG SER 5 -0.641 -18.867 12.282 22 H SER 6 H SER 6 0.219 -14.441 11.391 23 HA SER 6 HA SER 6 -1.922 -12.577 12.041 24 HB2 SER 6 1HB SER 6 0.941 -12.274 11.181 25 HB3 SER 6 2HB SER 6 -0.171 -10.910 11.074 26 HG SER 6 HG SER 6 -0.267 -10.794 13.204 27 H GLY 7 H GLY 7 -0.250 -13.894 9.230 28 HA2 GLY 7 1HA GLY 7 -1.383 -14.247 7.159 29 HA3 GLY 7 2HA GLY 7 -2.460 -12.916 7.558 30 H THR 8 H THR 8 -0.748 -13.493 5.171 31 HA THR 8 HA THR 8 0.474 -10.837 5.022 32 HB THR 8 HB THR 8 2.448 -11.778 3.822 33 HG1 THR 8 HG1 THR 8 1.142 -13.931 3.656 34 HG21 THR 8 3HG2 THR 8 2.832 -13.165 6.313 35 HG22 THR 8 1HG2 THR 8 1.955 -11.659 6.583 36 HG23 THR 8 2HG2 THR 8 3.521 -11.635 5.771 37 H GLY 9 H GLY 9 -0.672 -9.901 3.451 38 HA2 GLY 9 1HA GLY 9 -1.177 -9.490 1.204 39 HA3 GLY 9 2HA GLY 9 -0.686 -11.133 0.817 40 H GLU 10 H GLU 10 -3.193 -9.532 2.791 41 HA GLU 10 HA GLU 10 -5.152 -11.370 1.579 42 HB2 GLU 10 1HB GLU 10 -5.018 -10.345 4.417 43 HB3 GLU 10 2HB GLU 10 -6.425 -11.155 3.742 44 HG2 GLU 10 1HG GLU 10 -4.843 -13.080 3.203 45 HG3 GLU 10 2HG GLU 10 -3.702 -12.281 4.283 46 H LYS 11 H LYS 11 -4.161 -8.230 1.803 47 HA LYS 11 HA LYS 11 -6.840 -7.247 1.089 48 HB2 LYS 11 1HB LYS 11 -4.868 -5.521 2.559 49 HB3 LYS 11 2HB LYS 11 -6.601 -5.292 2.366 50 HG2 LYS 11 1HG LYS 11 -5.373 -7.520 3.971 51 HG3 LYS 11 2HG LYS 11 -5.888 -5.974 4.651 52 HD2 LYS 11 1HD LYS 11 -7.716 -7.800 3.099 53 HD3 LYS 11 2HD LYS 11 -7.552 -7.851 4.856 54 HE2 LYS 11 1HE LYS 11 -9.360 -6.453 4.623 55 HE3 LYS 11 2HE LYS 11 -8.040 -5.286 4.674 56 HZ1 LYS 11 3HZ LYS 11 -9.925 -5.679 2.644 57 HZ2 LYS 11 1HZ LYS 11 -8.406 -6.080 2.017 58 HZ3 LYS 11 2HZ LYS 11 -8.664 -4.553 2.697 59 HA PRO 12 HA PRO 12 -4.965 -5.569 -2.510 60 HB2 PRO 12 1HB PRO 12 -6.533 -3.395 -2.939 61 HB3 PRO 12 2HB PRO 12 -7.087 -5.049 -3.222 62 HG2 PRO 12 1HG PRO 12 -7.580 -3.263 -0.871 63 HG3 PRO 12 2HG PRO 12 -8.712 -4.328 -1.723 64 HD2 PRO 12 1HD PRO 12 -7.549 -5.017 0.623 65 HD3 PRO 12 2HD PRO 12 -7.965 -6.211 -0.623 66 H TYR 13 H TYR 13 -5.049 -3.831 0.435 67 HA TYR 13 HA TYR 13 -3.126 -1.864 -0.622 68 HB2 TYR 13 1HB TYR 13 -4.993 -1.624 1.745 69 HB3 TYR 13 2HB TYR 13 -3.790 -0.423 1.289 70 HD1 TYR 13 HD1 TYR 13 -4.090 0.933 -0.730 71 HD2 TYR 13 HD2 TYR 13 -7.049 -1.861 0.510 72 HE1 TYR 13 HE1 TYR 13 -5.718 2.001 -2.233 73 HE2 TYR 13 HE2 TYR 13 -8.686 -0.802 -0.990 74 HH TYR 13 HH TYR 13 -8.768 0.584 -2.941 75 H LYS 14 H LYS 14 -1.195 -2.822 -0.254 76 HA LYS 14 HA LYS 14 -0.615 -3.654 2.514 77 HB2 LYS 14 1HB LYS 14 -0.436 -5.603 1.197 78 HB3 LYS 14 2HB LYS 14 0.362 -4.745 -0.115 79 HG2 LYS 14 1HG LYS 14 2.296 -4.383 1.467 80 HG3 LYS 14 2HG LYS 14 1.507 -5.535 2.547 81 HD2 LYS 14 1HD LYS 14 1.494 -7.157 0.614 82 HD3 LYS 14 2HD LYS 14 2.537 -6.019 -0.243 83 HE2 LYS 14 1HE LYS 14 4.126 -6.159 1.684 84 HE3 LYS 14 2HE LYS 14 3.120 -7.446 2.348 85 HZ1 LYS 14 3HZ LYS 14 3.595 -8.181 -0.251 86 HZ2 LYS 14 1HZ LYS 14 4.326 -8.832 1.129 87 HZ3 LYS 14 2HZ LYS 14 5.080 -7.574 0.287 88 H CYS 15 H CYS 15 1.385 -3.074 3.407 89 HA CYS 15 HA CYS 15 2.445 -0.588 2.402 90 HB2 CYS 15 1HB CYS 15 2.052 -1.197 4.863 91 HB3 CYS 15 2HB CYS 15 3.525 -2.154 4.739 92 H ASN 16 H ASN 16 4.006 -0.475 0.943 93 HA ASN 16 HA ASN 16 5.687 -2.776 0.405 94 HB2 ASN 16 1HB ASN 16 5.135 -0.175 -0.965 95 HB3 ASN 16 2HB ASN 16 6.619 -1.040 -1.353 96 HD21 ASN 16 1HD2 ASN 16 3.992 -0.462 -2.778 97 HD22 ASN 16 2HD2 ASN 16 3.526 -2.000 -3.414 98 H GLU 17 H GLU 17 5.874 -0.825 2.817 99 HA GLU 17 HA GLU 17 8.730 -0.175 2.529 100 HB2 GLU 17 1HB GLU 17 6.536 1.023 4.195 101 HB3 GLU 17 2HB GLU 17 8.223 1.247 4.636 102 HG2 GLU 17 1HG GLU 17 8.529 2.083 2.229 103 HG3 GLU 17 2HG GLU 17 6.772 2.221 2.209 104 H CYS 18 H CYS 18 6.348 -1.792 4.538 105 HA CYS 18 HA CYS 18 8.549 -3.131 5.956 106 HB2 CYS 18 1HB CYS 18 7.289 -3.073 8.033 107 HB3 CYS 18 2HB CYS 18 7.513 -1.433 7.431 108 H GLY 19 H GLY 19 5.147 -3.236 4.977 109 HA2 GLY 19 1HA GLY 19 4.699 -5.412 3.721 110 HA3 GLY 19 2HA GLY 19 5.238 -6.176 5.210 111 H LYS 20 H LYS 20 3.975 -4.234 6.952 112 HA LYS 20 HA LYS 20 1.664 -5.400 7.658 113 HB2 LYS 20 1HB LYS 20 2.602 -2.582 7.824 114 HB3 LYS 20 2HB LYS 20 0.915 -2.895 8.210 115 HG2 LYS 20 1HG LYS 20 1.683 -4.601 9.857 116 HG3 LYS 20 2HG LYS 20 3.339 -4.074 9.546 117 HD2 LYS 20 1HD LYS 20 2.376 -1.705 10.087 118 HD3 LYS 20 2HD LYS 20 1.102 -2.621 10.895 119 HE2 LYS 20 1HE LYS 20 3.052 -3.878 12.033 120 HE3 LYS 20 2HE LYS 20 4.033 -2.510 11.510 121 HZ1 LYS 20 3HZ LYS 20 3.377 -1.657 13.465 122 HZ2 LYS 20 1HZ LYS 20 2.016 -2.654 13.585 123 HZ3 LYS 20 2HZ LYS 20 1.961 -1.259 12.630 124 H VAL 21 H VAL 21 -0.479 -5.397 7.106 125 HA VAL 21 HA VAL 21 -1.170 -4.038 4.581 126 HB VAL 21 HB VAL 21 -2.609 -6.496 5.505 127 HG11 VAL 21 1HG1 VAL 21 -3.368 -6.634 3.343 128 HG12 VAL 21 2HG1 VAL 21 -3.206 -4.886 3.521 129 HG13 VAL 21 3HG1 VAL 21 -1.959 -5.807 2.679 130 HG21 VAL 21 3HG2 VAL 21 -0.409 -7.315 5.577 131 HG22 VAL 21 1HG2 VAL 21 -1.007 -7.768 3.981 132 HG23 VAL 21 2HG2 VAL 21 0.075 -6.386 4.158 133 H PHE 22 H PHE 22 -3.176 -3.061 4.404 134 HA PHE 22 HA PHE 22 -4.817 -2.963 6.842 135 HB2 PHE 22 1HB PHE 22 -4.233 -0.549 5.124 136 HB3 PHE 22 2HB PHE 22 -5.074 -0.586 6.670 137 HD1 PHE 22 HD1 PHE 22 -1.775 -1.532 5.209 138 HD2 PHE 22 HD2 PHE 22 -3.907 0.031 8.545 139 HE1 PHE 22 HE1 PHE 22 0.354 -1.118 6.371 140 HE2 PHE 22 HE2 PHE 22 -1.781 0.449 9.712 141 HZ PHE 22 HZ PHE 22 0.353 -0.125 8.625 142 H ARG 23 H ARG 23 -6.992 -1.869 6.342 143 HA ARG 23 HA ARG 23 -8.095 -3.211 4.009 144 HB2 ARG 23 1HB ARG 23 -9.125 -3.297 6.340 145 HB3 ARG 23 2HB ARG 23 -9.617 -1.630 6.076 146 HG2 ARG 23 1HG ARG 23 -10.718 -2.528 3.926 147 HG3 ARG 23 2HG ARG 23 -10.547 -4.109 4.690 148 HD2 ARG 23 1HD ARG 23 -11.631 -2.824 6.736 149 HD3 ARG 23 2HD ARG 23 -12.261 -1.802 5.445 150 HE ARG 23 HE ARG 23 -13.741 -3.459 4.961 151 HH11 ARG 23 1HH1 ARG 23 -11.013 -4.871 6.599 152 HH12 ARG 23 2HH1 ARG 23 -11.698 -6.461 6.646 153 HH21 ARG 23 1HH2 ARG 23 -14.654 -5.549 5.017 154 HH22 ARG 23 2HH2 ARG 23 -13.769 -6.846 5.745 155 H HIS 24 H HIS 24 -7.738 0.052 5.308 156 HA HIS 24 HA HIS 24 -8.675 1.113 2.723 157 HB2 HIS 24 1HB HIS 24 -9.874 1.658 5.022 158 HB3 HIS 24 2HB HIS 24 -8.573 2.837 5.159 159 HD1 HIS 24 HD1 HIS 24 -8.831 4.974 3.875 160 HD2 HIS 24 HD2 HIS 24 -11.572 2.076 2.713 161 HE1 HIS 24 HE1 HIS 24 -10.425 6.141 2.318 162 H ASN 25 H ASN 25 -7.533 2.843 1.787 163 HA ASN 25 HA ASN 25 -4.726 2.715 2.072 164 HB2 ASN 25 1HB ASN 25 -4.697 4.620 0.481 165 HB3 ASN 25 2HB ASN 25 -5.736 3.303 -0.057 166 HD21 ASN 25 1HD2 ASN 25 -5.590 6.568 1.057 167 HD22 ASN 25 2HD2 ASN 25 -7.241 6.971 0.745 168 H SER 26 H SER 26 -7.084 5.211 2.993 169 HA SER 26 HA SER 26 -5.586 7.232 3.916 170 HB2 SER 26 1HB SER 26 -7.949 5.965 5.314 171 HB3 SER 26 2HB SER 26 -7.267 7.526 5.769 172 HG SER 26 HG SER 26 -7.666 8.155 3.533 173 H TYR 27 H TYR 27 -6.416 4.454 5.998 174 HA TYR 27 HA TYR 27 -4.769 5.117 8.136 175 HB2 TYR 27 1HB TYR 27 -5.350 2.285 7.274 176 HB3 TYR 27 2HB TYR 27 -5.066 2.881 8.906 177 HD1 TYR 27 HD2 TYR 27 -6.798 4.873 9.557 178 HD2 TYR 27 HD1 TYR 27 -7.526 1.746 6.765 179 HE1 TYR 27 HE2 TYR 27 -9.220 5.159 9.877 180 HE2 TYR 27 HE1 TYR 27 -9.950 2.024 7.076 181 HH TYR 27 HH TYR 27 -11.521 3.784 7.816 182 H LEU 28 H LEU 28 -4.078 2.953 5.396 183 HA LEU 28 HA LEU 28 -1.552 2.115 6.033 184 HB2 LEU 28 1HB LEU 28 -2.503 1.207 4.107 185 HB3 LEU 28 2HB LEU 28 -2.827 2.792 3.408 186 HG LEU 28 HG LEU 28 -0.373 3.072 3.072 187 HD11 LEU 28 1HD1 LEU 28 0.438 1.546 4.764 188 HD12 LEU 28 2HD1 LEU 28 1.033 1.057 3.178 189 HD13 LEU 28 3HD1 LEU 28 -0.303 0.182 3.927 190 HD21 LEU 28 3HD2 LEU 28 -1.462 2.477 1.128 191 HD22 LEU 28 1HD2 LEU 28 -1.954 0.905 1.758 192 HD23 LEU 28 2HD2 LEU 28 -0.277 1.180 1.286 193 H SER 29 H SER 29 -2.311 5.026 4.113 194 HA SER 29 HA SER 29 0.255 6.007 3.827 195 HB2 SER 29 1HB SER 29 -2.443 7.305 3.923 196 HB3 SER 29 2HB SER 29 -1.001 8.319 3.878 197 HG SER 29 HG SER 29 -0.868 7.902 1.834 198 H ARG 30 H ARG 30 -2.079 6.816 6.395 199 HA ARG 30 HA ARG 30 -0.470 8.528 7.870 200 HB2 ARG 30 1HB ARG 30 -2.618 6.619 8.802 201 HB3 ARG 30 2HB ARG 30 -1.897 7.856 9.822 202 HG2 ARG 30 1HG ARG 30 -2.653 9.538 8.094 203 HG3 ARG 30 2HG ARG 30 -3.598 8.231 7.377 204 HD2 ARG 30 1HD ARG 30 -5.173 9.111 8.772 205 HD3 ARG 30 2HD ARG 30 -4.429 7.948 9.869 206 HE ARG 30 HE ARG 30 -3.003 10.236 10.254 207 HH11 ARG 30 1HH1 ARG 30 -6.381 9.407 10.387 208 HH12 ARG 30 2HH1 ARG 30 -6.759 10.592 11.593 209 HH21 ARG 30 1HH2 ARG 30 -3.487 11.800 11.843 210 HH22 ARG 30 2HH2 ARG 30 -5.112 11.953 12.420 211 H HIS 31 H HIS 31 -0.357 5.081 7.577 212 HA HIS 31 HA HIS 31 1.258 4.686 9.938 213 HB2 HIS 31 1HB HIS 31 0.032 2.779 9.541 214 HB3 HIS 31 2HB HIS 31 0.144 2.942 7.791 215 HD1 HIS 31 HD1 HIS 31 2.467 2.107 10.690 216 HD2 HIS 31 HD2 HIS 31 1.881 1.196 6.679 217 HE1 HIS 31 HE1 HIS 31 4.177 0.346 10.144 218 H GLN 32 H GLN 32 1.816 4.235 6.442 219 HA GLN 32 HA GLN 32 4.440 3.634 6.352 220 HB2 GLN 32 1HB GLN 32 3.049 5.663 4.595 221 HB3 GLN 32 2HB GLN 32 4.583 4.889 4.220 222 HG2 GLN 32 1HG GLN 32 3.185 2.692 4.552 223 HG3 GLN 32 2HG GLN 32 1.833 3.765 4.195 224 HE21 GLN 32 1HE2 GLN 32 4.372 1.928 2.925 225 HE22 GLN 32 2HE2 GLN 32 4.223 2.413 1.273 226 H ARG 33 H ARG 33 3.088 6.636 7.416 227 HA ARG 33 HA ARG 33 5.154 8.424 7.106 228 HB2 ARG 33 1HB ARG 33 3.421 8.165 9.569 229 HB3 ARG 33 2HB ARG 33 4.272 9.608 9.036 230 HG2 ARG 33 1HG ARG 33 2.829 9.229 6.859 231 HG3 ARG 33 2HG ARG 33 1.781 8.379 7.997 232 HD2 ARG 33 1HD ARG 33 2.813 11.103 8.665 233 HD3 ARG 33 2HD ARG 33 1.446 10.927 7.565 234 HE ARG 33 HE ARG 33 0.653 9.438 9.632 235 HH11 ARG 33 1HH1 ARG 33 2.051 12.624 9.510 236 HH12 ARG 33 2HH1 ARG 33 1.239 13.177 10.938 237 HH21 ARG 33 1HH2 ARG 33 -0.421 10.154 11.512 238 HH22 ARG 33 2HH2 ARG 33 -0.166 11.770 12.076 239 H ILE 34 H ILE 34 4.719 6.050 9.709 240 HA ILE 34 HA ILE 34 6.829 6.704 11.346 241 HB ILE 34 HB ILE 34 6.857 4.418 12.115 242 HG12 ILE 34 1HG1 ILE 34 4.955 3.527 9.993 243 HG13 ILE 34 2HG1 ILE 34 6.667 3.617 9.591 244 HG21 ILE 34 1HG2 ILE 34 4.044 5.182 11.345 245 HG22 ILE 34 2HG2 ILE 34 4.523 4.129 12.675 246 HG23 ILE 34 3HG2 ILE 34 4.935 5.843 12.716 247 HD11 ILE 34 3HD1 ILE 34 5.523 2.055 11.894 248 HD12 ILE 34 1HD1 ILE 34 5.953 1.380 10.322 249 HD13 ILE 34 2HD1 ILE 34 7.203 2.073 11.356 250 H HIS 35 H HIS 35 6.926 5.381 8.166 251 HA HIS 35 HA HIS 35 9.632 4.393 8.376 252 HB2 HIS 35 1HB HIS 35 7.847 4.779 5.964 253 HB3 HIS 35 2HB HIS 35 9.413 3.973 5.945 254 HD1 HIS 35 HD1 HIS 35 9.085 2.227 8.475 255 HD2 HIS 35 HD2 HIS 35 6.194 2.656 5.522 256 HE1 HIS 35 HE1 HIS 35 7.639 0.177 8.648 257 H THR 36 H THR 36 8.052 6.981 6.496 258 HA THR 36 HA THR 36 10.600 8.190 5.872 259 HB THR 36 HB THR 36 9.318 9.864 4.650 260 HG1 THR 36 HG1 THR 36 7.224 8.791 6.160 261 HG21 THR 36 3HG2 THR 36 7.802 7.445 3.902 262 HG22 THR 36 1HG2 THR 36 9.555 7.264 3.961 263 HG23 THR 36 2HG2 THR 36 8.829 8.489 2.920 264 H GLY 37 H GLY 37 10.790 8.250 8.429 265 HA2 GLY 37 1HA GLY 37 10.246 11.043 9.154 266 HA3 GLY 37 2HA GLY 37 9.726 9.774 10.253 267 H GLU 38 H GLU 38 11.518 8.184 10.855 268 HA GLU 38 HA GLU 38 13.898 9.764 11.533 269 HB2 GLU 38 1HB GLU 38 12.826 7.228 12.783 270 HB3 GLU 38 2HB GLU 38 14.259 8.095 13.316 271 HG2 GLU 38 1HG GLU 38 13.045 9.836 14.204 272 HG3 GLU 38 2HG GLU 38 11.642 9.516 13.186 273 H LYS 39 H LYS 39 14.721 9.378 9.345 274 HA LYS 39 HA LYS 39 15.780 6.660 8.964 275 HB2 LYS 39 1HB LYS 39 14.490 7.338 7.075 276 HB3 LYS 39 2HB LYS 39 15.274 8.911 7.021 277 HG2 LYS 39 1HG LYS 39 17.434 7.493 6.634 278 HG3 LYS 39 2HG LYS 39 16.282 6.259 6.119 279 HD2 LYS 39 1HD LYS 39 16.758 7.358 4.135 280 HD3 LYS 39 2HD LYS 39 15.278 8.161 4.667 281 HE2 LYS 39 1HE LYS 39 16.991 9.775 5.856 282 HE3 LYS 39 2HE LYS 39 18.081 9.169 4.609 283 HZ1 LYS 39 3HZ LYS 39 16.408 11.239 4.287 284 HZ2 LYS 39 1HZ LYS 39 15.478 9.977 3.649 285 HZ3 LYS 39 2HZ LYS 39 17.013 10.299 3.017 286 HA PRO 40 HA PRO 40 19.850 8.069 9.876 287 HB2 PRO 40 1HB PRO 40 21.267 6.168 8.554 288 HB3 PRO 40 2HB PRO 40 20.413 5.850 10.068 289 HG2 PRO 40 1HG PRO 40 19.570 5.257 7.257 290 HG3 PRO 40 2HG PRO 40 19.433 4.241 8.704 291 HD2 PRO 40 1HD PRO 40 17.346 5.652 7.711 292 HD3 PRO 40 2HD PRO 40 17.545 5.335 9.447 293 H SER 41 H SER 41 19.778 10.044 8.684 294 HA SER 41 HA SER 41 21.038 9.873 6.024 295 HB2 SER 41 1HB SER 41 19.934 12.080 5.555 296 HB3 SER 41 2HB SER 41 18.804 10.742 5.766 297 HG SER 41 HG SER 41 17.957 11.821 7.342 298 H GLY 42 H GLY 42 20.739 11.857 8.958 299 HA2 GLY 42 1HA GLY 42 22.974 12.409 9.967 300 HA3 GLY 42 2HA GLY 42 23.413 12.964 8.358 301 HA PRO 43 HA PRO 43 21.101 16.235 11.043 302 HB2 PRO 43 1HB PRO 43 23.157 17.361 12.413 303 HB3 PRO 43 2HB PRO 43 22.186 16.032 13.058 304 HG2 PRO 43 1HG PRO 43 24.878 15.951 11.749 305 HG3 PRO 43 2HG PRO 43 24.307 15.086 13.188 306 HD2 PRO 43 1HD PRO 43 24.467 13.914 10.752 307 HD3 PRO 43 2HD PRO 43 23.228 13.472 11.945 308 H SER 44 H SER 44 20.875 17.206 8.996 309 HA SER 44 HA SER 44 23.127 18.869 8.097 310 HB2 SER 44 1HB SER 44 22.139 17.237 6.467 311 HB3 SER 44 2HB SER 44 20.628 18.142 6.551 312 HG SER 44 HG SER 44 22.994 19.526 5.980 313 H SER 45 H SER 45 19.572 19.004 8.351 314 HA SER 45 HA SER 45 18.140 20.715 8.794 315 HB2 SER 45 1HB SER 45 20.603 21.585 10.280 316 HB3 SER 45 2HB SER 45 19.182 22.627 10.221 317 HG SER 45 HG SER 45 17.999 21.061 11.245 318 H GLY 46 H GLY 46 19.287 20.730 6.266 319 HA2 GLY 46 1HA GLY 46 19.782 23.595 5.760 320 HA3 GLY 46 2HA GLY 46 20.322 22.288 4.717 Start of MODEL 7 1 H1 GLY 1 H GLY 1 5.413 -25.965 5.496 2 HA2 GLY 1 1HA GLY 1 4.555 -27.222 7.294 3 HA3 GLY 1 2HA GLY 1 5.755 -26.209 8.082 4 H SER 2 H SER 2 4.696 -26.106 10.043 5 HA SER 2 HA SER 2 2.134 -25.816 10.733 6 HB2 SER 2 1HB SER 2 4.417 -24.160 11.833 7 HB3 SER 2 2HB SER 2 2.849 -24.349 12.617 8 HG SER 2 HG SER 2 4.293 -26.638 11.886 9 H SER 3 H SER 3 4.156 -23.039 9.782 10 HA SER 3 HA SER 3 3.606 -20.922 9.123 11 HB2 SER 3 1HB SER 3 1.403 -22.440 7.704 12 HB3 SER 3 2HB SER 3 1.948 -20.811 7.305 13 HG SER 3 HG SER 3 3.574 -23.138 7.241 14 H GLY 4 H GLY 4 2.645 -21.491 11.664 15 HA2 GLY 4 1HA GLY 4 -0.130 -20.753 11.875 16 HA3 GLY 4 2HA GLY 4 1.003 -20.951 13.204 17 H SER 5 H SER 5 -0.441 -18.984 13.780 18 HA SER 5 HA SER 5 -0.747 -16.716 13.962 19 HB2 SER 5 1HB SER 5 1.219 -15.568 14.704 20 HB3 SER 5 2HB SER 5 1.376 -17.242 15.234 21 HG SER 5 HG SER 5 3.294 -16.818 14.315 22 H SER 6 H SER 6 -1.065 -17.477 11.324 23 HA SER 6 HA SER 6 -0.083 -15.084 9.942 24 HB2 SER 6 1HB SER 6 0.571 -16.286 7.996 25 HB3 SER 6 2HB SER 6 1.292 -17.149 9.354 26 HG SER 6 HG SER 6 -0.901 -18.351 9.159 27 H GLY 7 H GLY 7 -1.293 -14.776 7.814 28 HA2 GLY 7 1HA GLY 7 -4.117 -15.550 8.216 29 HA3 GLY 7 2HA GLY 7 -3.623 -13.977 7.607 30 H THR 8 H THR 8 -5.446 -15.659 6.289 31 HA THR 8 HA THR 8 -3.934 -16.779 4.044 32 HB THR 8 HB THR 8 -6.901 -16.954 4.601 33 HG1 THR 8 HG1 THR 8 -6.158 -19.236 5.054 34 HG21 THR 8 3HG2 THR 8 -6.658 -17.339 2.314 35 HG22 THR 8 1HG2 THR 8 -6.589 -18.961 3.001 36 HG23 THR 8 2HG2 THR 8 -5.103 -18.145 2.516 37 H GLY 9 H GLY 9 -6.872 -14.787 4.475 38 HA2 GLY 9 1HA GLY 9 -6.813 -13.801 1.806 39 HA3 GLY 9 2HA GLY 9 -7.797 -13.174 3.120 40 H GLU 10 H GLU 10 -6.167 -11.847 0.980 41 HA GLU 10 HA GLU 10 -4.590 -10.124 2.773 42 HB2 GLU 10 1HB GLU 10 -3.011 -11.356 1.451 43 HB3 GLU 10 2HB GLU 10 -3.911 -11.032 -0.024 44 HG2 GLU 10 1HG GLU 10 -3.431 -8.560 0.468 45 HG3 GLU 10 2HG GLU 10 -2.212 -9.170 1.586 46 H LYS 11 H LYS 11 -4.672 -7.918 2.395 47 HA LYS 11 HA LYS 11 -6.972 -7.038 0.834 48 HB2 LYS 11 1HB LYS 11 -5.274 -5.767 2.963 49 HB3 LYS 11 2HB LYS 11 -6.346 -4.792 1.966 50 HG2 LYS 11 1HG LYS 11 -7.681 -5.217 3.776 51 HG3 LYS 11 2HG LYS 11 -8.144 -6.535 2.698 52 HD2 LYS 11 1HD LYS 11 -6.532 -8.005 3.868 53 HD3 LYS 11 2HD LYS 11 -6.184 -6.685 4.988 54 HE2 LYS 11 1HE LYS 11 -8.994 -7.633 4.572 55 HE3 LYS 11 2HE LYS 11 -7.909 -8.502 5.656 56 HZ1 LYS 11 3HZ LYS 11 -9.078 -6.955 6.968 57 HZ2 LYS 11 1HZ LYS 11 -8.820 -5.691 5.874 58 HZ3 LYS 11 2HZ LYS 11 -7.528 -6.305 6.777 59 HA PRO 12 HA PRO 12 -4.710 -5.286 -2.493 60 HB2 PRO 12 1HB PRO 12 -6.158 -3.053 -3.029 61 HB3 PRO 12 2HB PRO 12 -6.730 -4.683 -3.406 62 HG2 PRO 12 1HG PRO 12 -7.407 -2.929 -1.076 63 HG3 PRO 12 2HG PRO 12 -8.478 -3.939 -2.064 64 HD2 PRO 12 1HD PRO 12 -7.584 -4.713 0.372 65 HD3 PRO 12 2HD PRO 12 -7.906 -5.867 -0.938 66 H TYR 13 H TYR 13 -4.851 -3.789 0.514 67 HA TYR 13 HA TYR 13 -2.902 -1.742 -0.322 68 HB2 TYR 13 1HB TYR 13 -4.866 -1.679 1.977 69 HB3 TYR 13 2HB TYR 13 -3.613 -0.473 1.707 70 HD1 TYR 13 HD1 TYR 13 -3.782 1.102 -0.154 71 HD2 TYR 13 HD2 TYR 13 -6.846 -1.754 0.591 72 HE1 TYR 13 HE1 TYR 13 -5.301 2.357 -1.625 73 HE2 TYR 13 HE2 TYR 13 -8.373 -0.508 -0.880 74 HH TYR 13 HH TYR 13 -7.328 1.921 -2.981 75 H LYS 14 H LYS 14 -0.998 -2.768 0.021 76 HA LYS 14 HA LYS 14 -0.452 -3.641 2.779 77 HB2 LYS 14 1HB LYS 14 -0.564 -5.672 1.577 78 HB3 LYS 14 2HB LYS 14 0.285 -4.996 0.193 79 HG2 LYS 14 1HG LYS 14 2.290 -4.762 1.749 80 HG3 LYS 14 2HG LYS 14 1.403 -5.818 2.851 81 HD2 LYS 14 1HD LYS 14 1.157 -7.325 0.722 82 HD3 LYS 14 2HD LYS 14 2.563 -6.414 0.164 83 HE2 LYS 14 1HE LYS 14 3.935 -7.276 1.792 84 HE3 LYS 14 2HE LYS 14 2.602 -7.578 2.907 85 HZ1 LYS 14 3HZ LYS 14 1.901 -9.317 1.170 86 HZ2 LYS 14 1HZ LYS 14 3.191 -9.681 2.203 87 HZ3 LYS 14 2HZ LYS 14 3.493 -9.196 0.611 88 H CYS 15 H CYS 15 1.232 -2.667 3.699 89 HA CYS 15 HA CYS 15 2.656 -0.610 2.417 90 HB2 CYS 15 1HB CYS 15 2.261 -0.808 4.887 91 HB3 CYS 15 2HB CYS 15 3.478 -2.080 4.928 92 H ASN 16 H ASN 16 4.530 -0.556 1.324 93 HA ASN 16 HA ASN 16 5.892 -3.113 0.866 94 HB2 ASN 16 1HB ASN 16 4.966 -1.486 -0.998 95 HB3 ASN 16 2HB ASN 16 6.495 -0.655 -0.728 96 HD21 ASN 16 1HD2 ASN 16 8.281 -1.426 -1.652 97 HD22 ASN 16 2HD2 ASN 16 8.384 -2.916 -2.522 98 H GLU 17 H GLU 17 6.196 -0.943 3.093 99 HA GLU 17 HA GLU 17 9.072 -0.454 2.804 100 HB2 GLU 17 1HB GLU 17 7.043 0.689 4.730 101 HB3 GLU 17 2HB GLU 17 8.761 1.061 4.766 102 HG2 GLU 17 1HG GLU 17 7.078 1.535 2.330 103 HG3 GLU 17 2HG GLU 17 7.230 2.727 3.619 104 H CYS 18 H CYS 18 6.701 -2.031 4.864 105 HA CYS 18 HA CYS 18 8.911 -3.409 6.236 106 HB2 CYS 18 1HB CYS 18 7.564 -3.430 8.298 107 HB3 CYS 18 2HB CYS 18 7.932 -1.788 7.779 108 H GLY 19 H GLY 19 5.563 -3.517 5.131 109 HA2 GLY 19 1HA GLY 19 5.008 -5.605 3.889 110 HA3 GLY 19 2HA GLY 19 5.713 -6.467 5.249 111 H LYS 20 H LYS 20 3.965 -3.684 6.124 112 HA LYS 20 HA LYS 20 2.042 -5.195 7.572 113 HB2 LYS 20 1HB LYS 20 2.601 -2.309 7.118 114 HB3 LYS 20 2HB LYS 20 0.991 -2.741 7.678 115 HG2 LYS 20 1HG LYS 20 3.318 -3.899 9.110 116 HG3 LYS 20 2HG LYS 20 2.952 -2.189 9.354 117 HD2 LYS 20 1HD LYS 20 1.785 -3.351 11.048 118 HD3 LYS 20 2HD LYS 20 0.573 -2.908 9.844 119 HE2 LYS 20 1HE LYS 20 0.343 -5.234 10.680 120 HE3 LYS 20 2HE LYS 20 0.582 -5.130 8.936 121 HZ1 LYS 20 3HZ LYS 20 1.917 -6.883 10.018 122 HZ2 LYS 20 1HZ LYS 20 2.749 -5.691 10.885 123 HZ3 LYS 20 2HZ LYS 20 2.863 -5.744 9.198 124 H VAL 21 H VAL 21 -0.374 -4.310 7.369 125 HA VAL 21 HA VAL 21 -1.230 -4.032 4.612 126 HB VAL 21 HB VAL 21 -2.565 -6.256 6.070 127 HG11 VAL 21 1HG1 VAL 21 -3.418 -6.730 4.052 128 HG12 VAL 21 2HG1 VAL 21 -2.865 -5.114 3.610 129 HG13 VAL 21 3HG1 VAL 21 -1.867 -6.520 3.240 130 HG21 VAL 21 3HG2 VAL 21 0.037 -6.623 4.587 131 HG22 VAL 21 1HG2 VAL 21 -0.162 -6.734 6.336 132 HG23 VAL 21 2HG2 VAL 21 -0.964 -7.898 5.282 133 H PHE 22 H PHE 22 -3.264 -3.148 4.403 134 HA PHE 22 HA PHE 22 -4.886 -2.787 6.806 135 HB2 PHE 22 1HB PHE 22 -4.135 -0.446 5.049 136 HB3 PHE 22 2HB PHE 22 -5.056 -0.404 6.549 137 HD1 PHE 22 HD1 PHE 22 -1.707 -1.254 5.185 138 HD2 PHE 22 HD2 PHE 22 -3.981 -0.038 8.571 139 HE1 PHE 22 HE1 PHE 22 0.373 -0.884 6.446 140 HE2 PHE 22 HE2 PHE 22 -1.905 0.336 9.836 141 HZ PHE 22 HZ PHE 22 0.277 -0.087 8.774 142 H ARG 23 H ARG 23 -7.026 -1.750 6.250 143 HA ARG 23 HA ARG 23 -8.078 -3.071 3.892 144 HB2 ARG 23 1HB ARG 23 -9.158 -3.008 6.239 145 HB3 ARG 23 2HB ARG 23 -9.676 -1.386 5.801 146 HG2 ARG 23 1HG ARG 23 -10.259 -3.599 3.909 147 HG3 ARG 23 2HG ARG 23 -11.206 -3.491 5.394 148 HD2 ARG 23 1HD ARG 23 -11.656 -1.089 4.807 149 HD3 ARG 23 2HD ARG 23 -10.911 -1.406 3.240 150 HE ARG 23 HE ARG 23 -12.922 -3.312 3.708 151 HH11 ARG 23 1HH1 ARG 23 -12.543 0.083 3.036 152 HH12 ARG 23 2HH1 ARG 23 -14.074 0.230 2.240 153 HH21 ARG 23 1HH2 ARG 23 -14.941 -3.131 2.662 154 HH22 ARG 23 2HH2 ARG 23 -15.438 -1.599 2.029 155 H HIS 24 H HIS 24 -8.237 0.227 5.247 156 HA HIS 24 HA HIS 24 -8.814 1.236 2.550 157 HB2 HIS 24 1HB HIS 24 -10.206 1.765 4.741 158 HB3 HIS 24 2HB HIS 24 -8.955 2.984 4.967 159 HD1 HIS 24 HD1 HIS 24 -9.385 5.154 3.858 160 HD2 HIS 24 HD2 HIS 24 -11.514 2.059 2.084 161 HE1 HIS 24 HE1 HIS 24 -10.830 6.245 2.113 162 H ASN 25 H ASN 25 -7.575 2.828 1.599 163 HA ASN 25 HA ASN 25 -4.844 2.817 1.996 164 HB2 ASN 25 1HB ASN 25 -6.076 3.668 -0.032 165 HB3 ASN 25 2HB ASN 25 -6.392 5.152 0.862 166 HD21 ASN 25 1HD2 ASN 25 -3.872 3.104 -0.463 167 HD22 ASN 25 2HD2 ASN 25 -2.675 4.343 -0.597 168 H SER 26 H SER 26 -7.174 5.276 3.091 169 HA SER 26 HA SER 26 -5.659 7.151 4.253 170 HB2 SER 26 1HB SER 26 -8.012 7.346 4.487 171 HB3 SER 26 2HB SER 26 -8.130 5.818 5.361 172 HG SER 26 HG SER 26 -8.002 8.133 6.447 173 H TYR 27 H TYR 27 -6.598 4.192 6.014 174 HA TYR 27 HA TYR 27 -5.032 4.595 8.268 175 HB2 TYR 27 1HB TYR 27 -5.714 1.938 6.993 176 HB3 TYR 27 2HB TYR 27 -5.242 2.195 8.669 177 HD1 TYR 27 HD2 TYR 27 -6.775 4.053 9.892 178 HD2 TYR 27 HD1 TYR 27 -7.960 1.646 6.589 179 HE1 TYR 27 HE2 TYR 27 -9.133 4.374 10.511 180 HE2 TYR 27 HE1 TYR 27 -10.322 1.962 7.199 181 HH TYR 27 HH TYR 27 -11.633 2.515 9.261 182 H LEU 28 H LEU 28 -4.202 3.035 5.204 183 HA LEU 28 HA LEU 28 -1.636 2.143 5.961 184 HB2 LEU 28 1HB LEU 28 -2.509 1.148 4.048 185 HB3 LEU 28 2HB LEU 28 -2.972 2.695 3.341 186 HG LEU 28 HG LEU 28 -0.503 3.159 3.051 187 HD11 LEU 28 1HD1 LEU 28 -0.360 0.246 3.798 188 HD12 LEU 28 2HD1 LEU 28 0.447 1.601 4.585 189 HD13 LEU 28 3HD1 LEU 28 0.926 1.113 2.960 190 HD21 LEU 28 3HD2 LEU 28 -0.330 1.624 1.072 191 HD22 LEU 28 1HD2 LEU 28 -1.805 2.588 1.145 192 HD23 LEU 28 2HD2 LEU 28 -1.843 0.885 1.600 193 H SER 29 H SER 29 -2.823 5.198 4.722 194 HA SER 29 HA SER 29 -0.323 6.333 4.058 195 HB2 SER 29 1HB SER 29 -2.434 7.268 3.234 196 HB3 SER 29 2HB SER 29 -2.900 7.697 4.880 197 HG SER 29 HG SER 29 -0.681 8.849 4.726 198 H ARG 30 H ARG 30 -2.368 6.735 6.950 199 HA ARG 30 HA ARG 30 -0.632 8.377 8.388 200 HB2 ARG 30 1HB ARG 30 -2.795 6.459 9.201 201 HB3 ARG 30 2HB ARG 30 -1.835 7.289 10.418 202 HG2 ARG 30 1HG ARG 30 -2.515 9.449 9.420 203 HG3 ARG 30 2HG ARG 30 -3.560 8.564 8.307 204 HD2 ARG 30 1HD ARG 30 -4.520 7.515 10.495 205 HD3 ARG 30 2HD ARG 30 -3.813 8.937 11.260 206 HE ARG 30 HE ARG 30 -5.297 9.841 9.102 207 HH11 ARG 30 1HH1 ARG 30 -5.858 8.145 12.090 208 HH12 ARG 30 2HH1 ARG 30 -7.469 8.752 12.284 209 HH21 ARG 30 1HH2 ARG 30 -7.417 10.647 9.346 210 HH22 ARG 30 2HH2 ARG 30 -8.355 10.175 10.723 211 H HIS 31 H HIS 31 -0.254 5.146 7.497 212 HA HIS 31 HA HIS 31 1.469 4.462 9.744 213 HB2 HIS 31 1HB HIS 31 0.162 2.627 9.091 214 HB3 HIS 31 2HB HIS 31 0.408 2.943 7.376 215 HD1 HIS 31 HD1 HIS 31 2.438 1.811 10.385 216 HD2 HIS 31 HD2 HIS 31 2.343 1.414 6.250 217 HE1 HIS 31 HE1 HIS 31 4.244 0.153 9.827 218 H GLN 32 H GLN 32 1.778 4.496 6.187 219 HA GLN 32 HA GLN 32 4.408 4.053 5.832 220 HB2 GLN 32 1HB GLN 32 2.693 6.131 4.476 221 HB3 GLN 32 2HB GLN 32 4.315 5.727 3.931 222 HG2 GLN 32 1HG GLN 32 2.314 3.549 4.270 223 HG3 GLN 32 2HG GLN 32 2.218 4.601 2.859 224 HE21 GLN 32 1HE2 GLN 32 2.633 2.661 1.641 225 HE22 GLN 32 2HE2 GLN 32 4.257 2.104 1.445 226 H ARG 33 H ARG 33 3.020 6.817 7.385 227 HA ARG 33 HA ARG 33 4.971 8.738 7.180 228 HB2 ARG 33 1HB ARG 33 3.591 8.101 9.784 229 HB3 ARG 33 2HB ARG 33 4.148 9.667 9.211 230 HG2 ARG 33 1HG ARG 33 2.432 9.159 7.264 231 HG3 ARG 33 2HG ARG 33 1.702 8.147 8.511 232 HD2 ARG 33 1HD ARG 33 2.473 10.969 9.127 233 HD3 ARG 33 2HD ARG 33 0.971 10.632 8.267 234 HE ARG 33 HE ARG 33 0.780 8.997 10.382 235 HH11 ARG 33 1HH1 ARG 33 1.593 12.372 10.118 236 HH12 ARG 33 2HH1 ARG 33 0.948 12.784 11.672 237 HH21 ARG 33 1HH2 ARG 33 -0.072 9.526 12.431 238 HH22 ARG 33 2HH2 ARG 33 0.002 11.164 12.987 239 H ILE 34 H ILE 34 4.823 6.141 9.616 240 HA ILE 34 HA ILE 34 7.135 6.699 11.009 241 HB ILE 34 HB ILE 34 7.202 4.386 11.685 242 HG12 ILE 34 1HG1 ILE 34 5.032 3.614 9.786 243 HG13 ILE 34 2HG1 ILE 34 6.682 3.687 9.177 244 HG21 ILE 34 1HG2 ILE 34 5.470 4.929 12.963 245 HG22 ILE 34 2HG2 ILE 34 4.815 5.980 11.708 246 HG23 ILE 34 3HG2 ILE 34 4.405 4.265 11.725 247 HD11 ILE 34 3HD1 ILE 34 7.064 1.677 9.998 248 HD12 ILE 34 1HD1 ILE 34 6.725 2.268 11.624 249 HD13 ILE 34 2HD1 ILE 34 5.420 1.616 10.634 250 H HIS 35 H HIS 35 6.831 5.689 7.768 251 HA HIS 35 HA HIS 35 9.604 4.750 7.647 252 HB2 HIS 35 1HB HIS 35 7.406 4.688 5.570 253 HB3 HIS 35 2HB HIS 35 9.034 4.058 5.332 254 HD1 HIS 35 HD1 HIS 35 9.567 2.356 7.675 255 HD2 HIS 35 HD2 HIS 35 5.784 2.577 5.971 256 HE1 HIS 35 HE1 HIS 35 8.390 0.247 8.375 257 H THR 36 H THR 36 7.437 7.077 6.052 258 HA THR 36 HA THR 36 9.821 8.657 5.335 259 HB THR 36 HB THR 36 8.769 7.672 3.332 260 HG1 THR 36 HG1 THR 36 8.421 9.766 2.267 261 HG21 THR 36 3HG2 THR 36 6.412 7.905 4.518 262 HG22 THR 36 1HG2 THR 36 6.565 7.918 2.762 263 HG23 THR 36 2HG2 THR 36 6.393 9.436 3.643 264 H GLY 37 H GLY 37 9.881 10.664 6.121 265 HA2 GLY 37 1HA GLY 37 8.285 12.711 6.234 266 HA3 GLY 37 2HA GLY 37 7.456 11.706 7.413 267 H GLU 38 H GLU 38 7.901 12.262 9.429 268 HA GLU 38 HA GLU 38 10.182 13.864 10.084 269 HB2 GLU 38 1HB GLU 38 7.858 12.740 11.583 270 HB3 GLU 38 2HB GLU 38 9.259 13.284 12.496 271 HG2 GLU 38 1HG GLU 38 8.065 15.085 10.446 272 HG3 GLU 38 2HG GLU 38 7.275 14.903 12.011 273 H LYS 39 H LYS 39 12.156 13.116 10.423 274 HA LYS 39 HA LYS 39 12.565 10.302 11.048 275 HB2 LYS 39 1HB LYS 39 13.958 11.153 9.303 276 HB3 LYS 39 2HB LYS 39 14.445 12.533 10.278 277 HG2 LYS 39 1HG LYS 39 15.356 10.643 11.875 278 HG3 LYS 39 2HG LYS 39 15.373 9.715 10.374 279 HD2 LYS 39 1HD LYS 39 16.606 11.744 9.380 280 HD3 LYS 39 2HD LYS 39 16.877 12.221 11.058 281 HE2 LYS 39 1HE LYS 39 17.555 9.457 10.124 282 HE3 LYS 39 2HE LYS 39 18.666 10.797 9.842 283 HZ1 LYS 39 3HZ LYS 39 19.210 10.912 12.005 284 HZ2 LYS 39 1HZ LYS 39 18.671 9.309 12.050 285 HZ3 LYS 39 2HZ LYS 39 17.647 10.560 12.548 286 HA PRO 40 HA PRO 40 13.238 10.946 15.352 287 HB2 PRO 40 1HB PRO 40 14.755 8.757 15.878 288 HB3 PRO 40 2HB PRO 40 13.016 8.670 15.573 289 HG2 PRO 40 1HG PRO 40 15.296 8.135 13.708 290 HG3 PRO 40 2HG PRO 40 13.790 7.224 13.925 291 HD2 PRO 40 1HD PRO 40 14.158 8.965 11.884 292 HD3 PRO 40 2HD PRO 40 12.570 8.687 12.628 293 H SER 41 H SER 41 14.716 11.892 16.679 294 HA SER 41 HA SER 41 17.547 11.795 16.044 295 HB2 SER 41 1HB SER 41 17.863 14.127 15.742 296 HB3 SER 41 2HB SER 41 16.493 13.707 14.714 297 HG SER 41 HG SER 41 15.169 14.375 16.580 298 H GLY 42 H GLY 42 18.818 12.012 17.818 299 HA2 GLY 42 1HA GLY 42 18.595 13.440 20.075 300 HA3 GLY 42 2HA GLY 42 17.463 12.131 20.383 301 HA PRO 43 HA PRO 43 21.894 10.966 21.559 302 HB2 PRO 43 1HB PRO 43 21.508 10.833 24.243 303 HB3 PRO 43 2HB PRO 43 22.017 12.311 23.418 304 HG2 PRO 43 1HG PRO 43 19.288 11.503 24.345 305 HG3 PRO 43 2HG PRO 43 20.092 13.078 24.474 306 HD2 PRO 43 1HD PRO 43 18.245 12.536 22.569 307 HD3 PRO 43 2HD PRO 43 19.603 13.647 22.294 308 H SER 44 H SER 44 22.543 8.897 22.224 309 HA SER 44 HA SER 44 20.630 6.837 21.830 310 HB2 SER 44 1HB SER 44 22.479 5.299 22.262 311 HB3 SER 44 2HB SER 44 23.015 6.606 21.206 312 HG SER 44 HG SER 44 24.159 7.477 22.838 313 H SER 45 H SER 45 19.229 6.068 23.249 314 HA SER 45 HA SER 45 19.151 6.816 25.953 315 HB2 SER 45 1HB SER 45 17.262 5.407 26.151 316 HB3 SER 45 2HB SER 45 17.238 5.954 24.475 317 HG SER 45 HG SER 45 16.927 3.625 24.872 318 H GLY 46 H GLY 46 19.511 5.614 27.858 319 HA2 GLY 46 1HA GLY 46 21.820 3.889 27.701 320 HA3 GLY 46 2HA GLY 46 21.023 4.439 29.168 Start of MODEL 8 1 H1 GLY 1 H GLY 1 8.290 -7.724 23.483 2 HA2 GLY 1 1HA GLY 1 8.132 -7.319 21.063 3 HA3 GLY 1 2HA GLY 1 9.705 -8.088 20.915 4 H SER 2 H SER 2 6.836 -9.084 22.754 5 HA SER 2 HA SER 2 7.093 -11.789 21.912 6 HB2 SER 2 1HB SER 2 6.118 -11.426 24.051 7 HB3 SER 2 2HB SER 2 4.932 -10.295 23.400 8 HG SER 2 HG SER 2 3.762 -12.078 23.477 9 H SER 3 H SER 3 7.085 -11.563 19.606 10 HA SER 3 HA SER 3 4.512 -11.991 18.461 11 HB2 SER 3 1HB SER 3 4.549 -10.084 16.878 12 HB3 SER 3 2HB SER 3 4.399 -9.554 18.553 13 HG SER 3 HG SER 3 6.654 -9.442 16.859 14 H GLY 4 H GLY 4 4.697 -12.218 16.009 15 HA2 GLY 4 1HA GLY 4 7.165 -12.484 14.713 16 HA3 GLY 4 2HA GLY 4 6.765 -14.040 15.424 17 H SER 5 H SER 5 4.640 -14.965 14.843 18 HA SER 5 HA SER 5 4.306 -15.392 12.191 19 HB2 SER 5 1HB SER 5 3.102 -16.727 13.794 20 HB3 SER 5 2HB SER 5 2.165 -15.331 14.327 21 HG SER 5 HG SER 5 1.020 -16.691 12.852 22 H SER 6 H SER 6 2.819 -14.663 10.580 23 HA SER 6 HA SER 6 1.959 -11.868 10.951 24 HB2 SER 6 1HB SER 6 3.952 -12.244 9.404 25 HB3 SER 6 2HB SER 6 2.827 -13.052 8.312 26 HG SER 6 HG SER 6 2.945 -10.350 9.072 27 H GLY 7 H GLY 7 -0.183 -11.765 11.013 28 HA2 GLY 7 1HA GLY 7 -1.906 -13.817 10.122 29 HA3 GLY 7 2HA GLY 7 -2.397 -12.193 10.581 30 H THR 8 H THR 8 -3.539 -13.715 8.476 31 HA THR 8 HA THR 8 -2.491 -12.609 6.002 32 HB THR 8 HB THR 8 -4.363 -13.864 4.929 33 HG1 THR 8 HG1 THR 8 -4.821 -15.148 7.394 34 HG21 THR 8 3HG2 THR 8 -3.417 -16.144 6.199 35 HG22 THR 8 1HG2 THR 8 -2.116 -14.970 6.395 36 HG23 THR 8 2HG2 THR 8 -2.712 -15.365 4.783 37 H GLY 9 H GLY 9 -3.994 -11.542 4.462 38 HA2 GLY 9 1HA GLY 9 -6.282 -10.177 5.616 39 HA3 GLY 9 2HA GLY 9 -4.919 -9.142 5.219 40 H GLU 10 H GLU 10 -4.056 -10.433 2.873 41 HA GLU 10 HA GLU 10 -4.378 -10.240 0.624 42 HB2 GLU 10 1HB GLU 10 -5.784 -12.269 1.280 43 HB3 GLU 10 2HB GLU 10 -7.181 -11.209 1.160 44 HG2 GLU 10 1HG GLU 10 -7.055 -12.326 -0.894 45 HG3 GLU 10 2HG GLU 10 -6.434 -10.705 -1.199 46 H LYS 11 H LYS 11 -4.752 -7.846 1.966 47 HA LYS 11 HA LYS 11 -7.156 -6.623 0.850 48 HB2 LYS 11 1HB LYS 11 -5.016 -5.332 2.546 49 HB3 LYS 11 2HB LYS 11 -6.621 -4.701 2.201 50 HG2 LYS 11 1HG LYS 11 -6.417 -7.346 3.534 51 HG3 LYS 11 2HG LYS 11 -6.058 -5.899 4.479 52 HD2 LYS 11 1HD LYS 11 -8.307 -6.038 4.846 53 HD3 LYS 11 2HD LYS 11 -8.317 -5.065 3.373 54 HE2 LYS 11 1HE LYS 11 -9.834 -6.655 2.773 55 HE3 LYS 11 2HE LYS 11 -8.358 -7.455 2.235 56 HZ1 LYS 11 3HZ LYS 11 -8.432 -8.363 4.688 57 HZ2 LYS 11 1HZ LYS 11 -9.285 -9.121 3.440 58 HZ3 LYS 11 2HZ LYS 11 -10.090 -8.082 4.504 59 HA PRO 12 HA PRO 12 -5.159 -4.821 -2.623 60 HB2 PRO 12 1HB PRO 12 -6.595 -2.533 -2.896 61 HB3 PRO 12 2HB PRO 12 -7.243 -4.128 -3.299 62 HG2 PRO 12 1HG PRO 12 -7.645 -2.490 -0.826 63 HG3 PRO 12 2HG PRO 12 -8.832 -3.423 -1.755 64 HD2 PRO 12 1HD PRO 12 -7.725 -4.346 0.537 65 HD3 PRO 12 2HD PRO 12 -8.202 -5.421 -0.793 66 H TYR 13 H TYR 13 -4.965 -3.490 0.458 67 HA TYR 13 HA TYR 13 -2.959 -1.534 -0.453 68 HB2 TYR 13 1HB TYR 13 -4.800 -1.247 1.931 69 HB3 TYR 13 2HB TYR 13 -3.564 -0.095 1.436 70 HD1 TYR 13 HD1 TYR 13 -3.870 1.250 -0.605 71 HD2 TYR 13 HD2 TYR 13 -6.920 -1.355 0.813 72 HE1 TYR 13 HE1 TYR 13 -5.507 2.395 -2.041 73 HE2 TYR 13 HE2 TYR 13 -8.565 -0.218 -0.620 74 HH TYR 13 HH TYR 13 -7.915 1.535 -3.133 75 H LYS 14 H LYS 14 -1.081 -2.533 -0.040 76 HA LYS 14 HA LYS 14 -0.611 -3.442 2.717 77 HB2 LYS 14 1HB LYS 14 -0.837 -5.471 1.505 78 HB3 LYS 14 2HB LYS 14 0.111 -4.857 0.156 79 HG2 LYS 14 1HG LYS 14 2.042 -4.722 1.848 80 HG3 LYS 14 2HG LYS 14 1.045 -5.786 2.842 81 HD2 LYS 14 1HD LYS 14 0.880 -7.177 0.618 82 HD3 LYS 14 2HD LYS 14 2.369 -6.316 0.222 83 HE2 LYS 14 1HE LYS 14 3.484 -7.198 2.121 84 HE3 LYS 14 2HE LYS 14 1.980 -7.811 2.805 85 HZ1 LYS 14 3HZ LYS 14 3.731 -9.245 1.316 86 HZ2 LYS 14 1HZ LYS 14 2.538 -8.843 0.185 87 HZ3 LYS 14 2HZ LYS 14 2.117 -9.665 1.602 88 H CYS 15 H CYS 15 1.236 -2.737 3.625 89 HA CYS 15 HA CYS 15 2.752 -0.722 2.301 90 HB2 CYS 15 1HB CYS 15 2.284 -0.785 4.765 91 HB3 CYS 15 2HB CYS 15 3.414 -2.129 4.894 92 H ASN 16 H ASN 16 5.033 -0.734 1.899 93 HA ASN 16 HA ASN 16 6.039 -3.411 1.196 94 HB2 ASN 16 1HB ASN 16 6.729 -0.729 -0.026 95 HB3 ASN 16 2HB ASN 16 7.413 -2.277 -0.514 96 HD21 ASN 16 1HD2 ASN 16 5.431 -3.956 -0.746 97 HD22 ASN 16 2HD2 ASN 16 4.229 -3.407 -1.859 98 H GLU 17 H GLU 17 6.848 -0.327 2.677 99 HA GLU 17 HA GLU 17 9.566 -0.691 3.120 100 HB2 GLU 17 1HB GLU 17 7.506 0.728 4.813 101 HB3 GLU 17 2HB GLU 17 9.239 0.839 5.084 102 HG2 GLU 17 1HG GLU 17 8.657 2.760 3.875 103 HG3 GLU 17 2HG GLU 17 9.429 1.683 2.713 104 H CYS 18 H CYS 18 6.842 -1.570 5.236 105 HA CYS 18 HA CYS 18 8.675 -3.176 6.867 106 HB2 CYS 18 1HB CYS 18 6.859 -3.247 8.515 107 HB3 CYS 18 2HB CYS 18 7.246 -1.587 8.073 108 H GLY 19 H GLY 19 5.737 -3.401 4.927 109 HA2 GLY 19 1HA GLY 19 5.269 -5.338 3.607 110 HA3 GLY 19 2HA GLY 19 6.163 -6.305 4.771 111 H LYS 20 H LYS 20 3.821 -3.913 5.760 112 HA LYS 20 HA LYS 20 2.190 -6.060 6.901 113 HB2 LYS 20 1HB LYS 20 2.653 -3.194 7.555 114 HB3 LYS 20 2HB LYS 20 1.078 -3.870 7.947 115 HG2 LYS 20 1HG LYS 20 1.935 -5.311 9.520 116 HG3 LYS 20 2HG LYS 20 3.543 -5.319 8.792 117 HD2 LYS 20 1HD LYS 20 3.584 -2.813 9.462 118 HD3 LYS 20 2HD LYS 20 2.272 -3.259 10.556 119 HE2 LYS 20 1HE LYS 20 4.374 -3.380 11.733 120 HE3 LYS 20 2HE LYS 20 3.724 -5.006 11.527 121 HZ1 LYS 20 3HZ LYS 20 5.495 -5.614 10.355 122 HZ2 LYS 20 1HZ LYS 20 6.234 -4.175 10.851 123 HZ3 LYS 20 2HZ LYS 20 5.429 -4.244 9.365 124 H VAL 21 H VAL 21 -0.236 -5.491 7.011 125 HA VAL 21 HA VAL 21 -1.128 -4.344 4.451 126 HB VAL 21 HB VAL 21 -2.403 -6.791 5.660 127 HG11 VAL 21 1HG1 VAL 21 -2.604 -5.397 3.001 128 HG12 VAL 21 2HG1 VAL 21 -3.231 -7.022 3.288 129 HG13 VAL 21 3HG1 VAL 21 -3.876 -5.653 4.195 130 HG21 VAL 21 3HG2 VAL 21 0.067 -7.039 4.927 131 HG22 VAL 21 1HG2 VAL 21 -1.118 -8.210 4.348 132 HG23 VAL 21 2HG2 VAL 21 -0.576 -6.907 3.290 133 H PHE 22 H PHE 22 -3.297 -3.543 4.437 134 HA PHE 22 HA PHE 22 -4.542 -3.195 7.069 135 HB2 PHE 22 1HB PHE 22 -4.076 -0.932 5.116 136 HB3 PHE 22 2HB PHE 22 -4.890 -0.814 6.673 137 HD1 PHE 22 HD1 PHE 22 -1.630 -1.576 5.086 138 HD2 PHE 22 HD2 PHE 22 -3.681 -0.408 8.628 139 HE1 PHE 22 HE1 PHE 22 0.525 -1.087 6.168 140 HE2 PHE 22 HE2 PHE 22 -1.529 0.084 9.716 141 HZ PHE 22 HZ PHE 22 0.577 -0.255 8.486 142 H ARG 23 H ARG 23 -6.752 -2.033 6.746 143 HA ARG 23 HA ARG 23 -8.083 -3.340 4.470 144 HB2 ARG 23 1HB ARG 23 -8.649 -3.938 6.935 145 HB3 ARG 23 2HB ARG 23 -9.511 -2.405 6.939 146 HG2 ARG 23 1HG ARG 23 -10.575 -3.414 4.738 147 HG3 ARG 23 2HG ARG 23 -10.135 -4.932 5.523 148 HD2 ARG 23 1HD ARG 23 -11.291 -3.931 7.600 149 HD3 ARG 23 2HD ARG 23 -12.015 -2.795 6.462 150 HE ARG 23 HE ARG 23 -12.687 -5.561 6.807 151 HH11 ARG 23 1HH1 ARG 23 -12.650 -2.901 4.562 152 HH12 ARG 23 2HH1 ARG 23 -13.934 -3.535 3.587 153 HH21 ARG 23 1HH2 ARG 23 -14.379 -6.406 5.533 154 HH22 ARG 23 2HH2 ARG 23 -14.918 -5.529 4.141 155 H HIS 24 H HIS 24 -6.789 -0.623 4.656 156 HA HIS 24 HA HIS 24 -8.704 0.794 3.132 157 HB2 HIS 24 1HB HIS 24 -9.402 1.026 5.678 158 HB3 HIS 24 2HB HIS 24 -8.146 2.261 5.673 159 HD1 HIS 24 HD1 HIS 24 -8.778 4.506 4.776 160 HD2 HIS 24 HD2 HIS 24 -11.543 1.569 3.781 161 HE1 HIS 24 HE1 HIS 24 -10.703 5.727 3.715 162 H ASN 25 H ASN 25 -7.884 2.796 2.302 163 HA ASN 25 HA ASN 25 -5.023 2.785 2.057 164 HB2 ASN 25 1HB ASN 25 -6.656 3.331 0.196 165 HB3 ASN 25 2HB ASN 25 -6.929 4.875 0.998 166 HD21 ASN 25 1HD2 ASN 25 -4.917 6.141 1.463 167 HD22 ASN 25 2HD2 ASN 25 -3.700 6.156 0.237 168 H SER 26 H SER 26 -7.368 5.250 3.135 169 HA SER 26 HA SER 26 -5.748 7.240 3.975 170 HB2 SER 26 1HB SER 26 -8.224 7.250 4.181 171 HB3 SER 26 2HB SER 26 -8.090 6.191 5.584 172 HG SER 26 HG SER 26 -8.260 8.382 6.198 173 H TYR 27 H TYR 27 -6.521 4.333 5.867 174 HA TYR 27 HA TYR 27 -4.990 4.996 8.129 175 HB2 TYR 27 1HB TYR 27 -5.648 2.234 7.088 176 HB3 TYR 27 2HB TYR 27 -5.171 2.641 8.732 177 HD1 TYR 27 HD2 TYR 27 -6.866 5.207 8.893 178 HD2 TYR 27 HD1 TYR 27 -7.751 1.241 7.633 179 HE1 TYR 27 HE2 TYR 27 -9.226 5.549 9.495 180 HE2 TYR 27 HE1 TYR 27 -10.114 1.572 8.231 181 HH TYR 27 HH TYR 27 -11.351 4.702 9.168 182 H LEU 28 H LEU 28 -4.184 3.217 5.182 183 HA LEU 28 HA LEU 28 -1.606 2.394 5.961 184 HB2 LEU 28 1HB LEU 28 -2.602 1.319 4.110 185 HB3 LEU 28 2HB LEU 28 -2.885 2.848 3.281 186 HG LEU 28 HG LEU 28 -0.431 3.076 2.973 187 HD11 LEU 28 1HD1 LEU 28 1.075 1.628 3.793 188 HD12 LEU 28 2HD1 LEU 28 0.041 0.228 3.507 189 HD13 LEU 28 3HD1 LEU 28 -0.204 1.227 4.940 190 HD21 LEU 28 3HD2 LEU 28 -0.532 1.962 1.018 191 HD22 LEU 28 1HD2 LEU 28 -2.212 1.699 1.485 192 HD23 LEU 28 2HD2 LEU 28 -1.007 0.445 1.782 193 H SER 29 H SER 29 -2.665 5.181 4.014 194 HA SER 29 HA SER 29 -0.213 6.312 3.466 195 HB2 SER 29 1HB SER 29 -2.454 7.094 2.621 196 HB3 SER 29 2HB SER 29 -2.693 7.892 4.175 197 HG SER 29 HG SER 29 -1.808 9.270 2.526 198 H ARG 30 H ARG 30 -2.241 6.803 6.340 199 HA ARG 30 HA ARG 30 -0.515 8.645 7.609 200 HB2 ARG 30 1HB ARG 30 -2.581 6.776 8.785 201 HB3 ARG 30 2HB ARG 30 -1.799 8.084 9.662 202 HG2 ARG 30 1HG ARG 30 -2.794 9.721 8.199 203 HG3 ARG 30 2HG ARG 30 -3.491 8.444 7.199 204 HD2 ARG 30 1HD ARG 30 -5.295 8.956 8.508 205 HD3 ARG 30 2HD ARG 30 -4.550 7.694 9.489 206 HE ARG 30 HE ARG 30 -4.717 10.515 10.106 207 HH11 ARG 30 1HH1 ARG 30 -3.189 7.465 10.801 208 HH12 ARG 30 2HH1 ARG 30 -2.679 7.934 12.389 209 HH21 ARG 30 1HH2 ARG 30 -4.051 11.145 12.195 210 HH22 ARG 30 2HH2 ARG 30 -3.171 10.027 13.181 211 H HIS 31 H HIS 31 -0.610 5.158 7.489 212 HA HIS 31 HA HIS 31 1.133 4.695 9.692 213 HB2 HIS 31 1HB HIS 31 -0.119 2.819 9.147 214 HB3 HIS 31 2HB HIS 31 0.106 3.043 7.415 215 HD1 HIS 31 HD1 HIS 31 2.009 1.869 10.468 216 HD2 HIS 31 HD2 HIS 31 2.161 1.604 6.324 217 HE1 HIS 31 HE1 HIS 31 3.825 0.203 9.966 218 H GLN 32 H GLN 32 1.654 4.632 6.167 219 HA GLN 32 HA GLN 32 4.295 4.022 6.014 220 HB2 GLN 32 1HB GLN 32 2.830 6.141 4.434 221 HB3 GLN 32 2HB GLN 32 4.401 5.483 3.996 222 HG2 GLN 32 1HG GLN 32 3.408 3.262 3.775 223 HG3 GLN 32 2HG GLN 32 1.834 3.926 4.208 224 HE21 GLN 32 1HE2 GLN 32 3.357 2.767 1.704 225 HE22 GLN 32 2HE2 GLN 32 2.774 3.781 0.433 226 H ARG 33 H ARG 33 2.920 6.852 7.408 227 HA ARG 33 HA ARG 33 4.882 8.754 7.205 228 HB2 ARG 33 1HB ARG 33 3.299 8.091 9.695 229 HB3 ARG 33 2HB ARG 33 4.113 9.615 9.369 230 HG2 ARG 33 1HG ARG 33 1.979 8.548 7.554 231 HG3 ARG 33 2HG ARG 33 1.599 9.510 8.985 232 HD2 ARG 33 1HD ARG 33 1.691 11.052 7.215 233 HD3 ARG 33 2HD ARG 33 3.225 11.234 8.065 234 HE ARG 33 HE ARG 33 3.370 9.378 5.889 235 HH11 ARG 33 1HH1 ARG 33 3.484 12.749 6.754 236 HH12 ARG 33 2HH1 ARG 33 4.429 13.204 5.375 237 HH21 ARG 33 1HH2 ARG 33 4.614 9.966 4.070 238 HH22 ARG 33 2HH2 ARG 33 5.070 11.621 3.848 239 H ILE 34 H ILE 34 4.700 6.173 9.651 240 HA ILE 34 HA ILE 34 6.987 6.755 11.084 241 HB ILE 34 HB ILE 34 7.030 4.469 11.812 242 HG12 ILE 34 1HG1 ILE 34 5.017 3.726 9.701 243 HG13 ILE 34 2HG1 ILE 34 6.746 3.606 9.393 244 HG21 ILE 34 1HG2 ILE 34 4.619 6.025 11.701 245 HG22 ILE 34 2HG2 ILE 34 4.235 4.304 11.734 246 HG23 ILE 34 3HG2 ILE 34 5.236 5.009 13.004 247 HD11 ILE 34 3HD1 ILE 34 6.173 2.350 11.879 248 HD12 ILE 34 1HD1 ILE 34 5.058 1.741 10.657 249 HD13 ILE 34 2HD1 ILE 34 6.799 1.639 10.392 250 H HIS 35 H HIS 35 6.703 5.536 7.877 251 HA HIS 35 HA HIS 35 9.466 4.613 7.798 252 HB2 HIS 35 1HB HIS 35 7.265 4.612 5.727 253 HB3 HIS 35 2HB HIS 35 8.901 4.040 5.413 254 HD1 HIS 35 HD1 HIS 35 9.627 2.148 7.431 255 HD2 HIS 35 HD2 HIS 35 5.644 2.547 6.315 256 HE1 HIS 35 HE1 HIS 35 8.514 0.004 8.131 257 H THR 36 H THR 36 7.443 6.906 5.959 258 HA THR 36 HA THR 36 9.546 8.130 4.571 259 HB THR 36 HB THR 36 7.893 10.118 4.443 260 HG1 THR 36 HG1 THR 36 6.699 9.306 6.343 261 HG21 THR 36 3HG2 THR 36 6.353 8.730 2.940 262 HG22 THR 36 1HG2 THR 36 7.353 7.351 3.395 263 HG23 THR 36 2HG2 THR 36 8.074 8.726 2.557 264 H GLY 37 H GLY 37 8.863 8.209 7.850 265 HA2 GLY 37 1HA GLY 37 9.794 10.918 8.323 266 HA3 GLY 37 2HA GLY 37 9.339 9.740 9.545 267 H GLU 38 H GLU 38 10.883 7.883 9.817 268 HA GLU 38 HA GLU 38 13.653 8.621 9.207 269 HB2 GLU 38 1HB GLU 38 14.340 8.109 11.516 270 HB3 GLU 38 2HB GLU 38 13.241 9.479 11.444 271 HG2 GLU 38 1HG GLU 38 11.410 8.120 12.196 272 HG3 GLU 38 2HG GLU 38 12.410 6.670 12.127 273 H LYS 39 H LYS 39 14.849 6.948 8.550 274 HA LYS 39 HA LYS 39 13.647 4.291 8.608 275 HB2 LYS 39 1HB LYS 39 15.917 5.522 7.064 276 HB3 LYS 39 2HB LYS 39 15.677 3.780 7.099 277 HG2 LYS 39 1HG LYS 39 13.219 4.468 6.407 278 HG3 LYS 39 2HG LYS 39 14.058 5.896 5.797 279 HD2 LYS 39 1HD LYS 39 15.640 4.285 4.632 280 HD3 LYS 39 2HD LYS 39 14.478 3.017 5.029 281 HE2 LYS 39 1HE LYS 39 12.734 4.477 3.895 282 HE3 LYS 39 2HE LYS 39 14.083 5.429 3.277 283 HZ1 LYS 39 3HZ LYS 39 14.948 3.183 2.439 284 HZ2 LYS 39 1HZ LYS 39 13.672 3.910 1.600 285 HZ3 LYS 39 2HZ LYS 39 13.364 2.635 2.667 286 HA PRO 40 HA PRO 40 16.216 2.822 11.869 287 HB2 PRO 40 1HB PRO 40 16.138 0.166 11.310 288 HB3 PRO 40 2HB PRO 40 14.769 1.042 12.004 289 HG2 PRO 40 1HG PRO 40 15.267 0.252 9.160 290 HG3 PRO 40 2HG PRO 40 13.765 0.165 10.098 291 HD2 PRO 40 1HD PRO 40 14.263 2.153 8.328 292 HD3 PRO 40 2HD PRO 40 13.299 2.402 9.798 293 H SER 41 H SER 41 17.992 0.907 12.017 294 HA SER 41 HA SER 41 20.294 1.860 10.829 295 HB2 SER 41 1HB SER 41 19.639 -0.885 11.907 296 HB3 SER 41 2HB SER 41 21.257 -0.433 11.371 297 HG SER 41 HG SER 41 21.521 0.561 13.192 298 H GLY 42 H GLY 42 18.266 -0.867 9.778 299 HA2 GLY 42 1HA GLY 42 17.826 -1.251 7.450 300 HA3 GLY 42 2HA GLY 42 19.384 -0.528 7.077 301 HA PRO 43 HA PRO 43 20.231 -4.992 8.784 302 HB2 PRO 43 1HB PRO 43 18.076 -6.640 8.878 303 HB3 PRO 43 2HB PRO 43 18.578 -5.637 10.244 304 HG2 PRO 43 1HG PRO 43 16.423 -5.146 8.225 305 HG3 PRO 43 2HG PRO 43 16.390 -4.897 9.981 306 HD2 PRO 43 1HD PRO 43 16.770 -2.868 8.229 307 HD3 PRO 43 2HD PRO 43 17.508 -2.886 9.843 308 H SER 44 H SER 44 17.512 -4.782 6.497 309 HA SER 44 HA SER 44 18.331 -6.972 4.900 310 HB2 SER 44 1HB SER 44 16.377 -4.732 4.597 311 HB3 SER 44 2HB SER 44 16.825 -5.653 3.161 312 HG SER 44 HG SER 44 15.534 -7.149 3.839 313 H SER 45 H SER 45 18.897 -6.732 2.547 314 HA SER 45 HA SER 45 20.287 -4.381 1.699 315 HB2 SER 45 1HB SER 45 21.842 -5.711 3.359 316 HB3 SER 45 2HB SER 45 22.102 -6.749 1.958 317 HG SER 45 HG SER 45 22.843 -4.955 0.816 318 H GLY 46 H GLY 46 21.302 -4.682 -0.454 319 HA2 GLY 46 1HA GLY 46 21.443 -5.662 -2.556 320 HA3 GLY 46 2HA GLY 46 20.640 -7.088 -1.915 Start of MODEL 9 1 H1 GLY 1 H GLY 1 16.865 -19.003 1.188 2 HA2 GLY 1 1HA GLY 1 14.422 -19.573 2.166 3 HA3 GLY 1 2HA GLY 1 14.682 -19.267 0.455 4 H SER 2 H SER 2 12.742 -21.023 1.801 5 HA SER 2 HA SER 2 13.534 -23.565 0.536 6 HB2 SER 2 1HB SER 2 13.473 -23.829 2.965 7 HB3 SER 2 2HB SER 2 11.835 -23.177 3.014 8 HG SER 2 HG SER 2 11.610 -25.081 1.339 9 H SER 3 H SER 3 10.791 -21.511 1.463 10 HA SER 3 HA SER 3 9.519 -21.850 -1.060 11 HB2 SER 3 1HB SER 3 7.579 -23.111 -0.409 12 HB3 SER 3 2HB SER 3 8.999 -24.045 0.063 13 HG SER 3 HG SER 3 7.581 -22.321 1.813 14 H GLY 4 H GLY 4 7.684 -20.501 -1.316 15 HA2 GLY 4 1HA GLY 4 6.597 -19.007 0.867 16 HA3 GLY 4 2HA GLY 4 7.753 -18.057 -0.056 17 H SER 5 H SER 5 5.336 -20.453 -1.090 18 HA SER 5 HA SER 5 4.485 -18.713 -3.225 19 HB2 SER 5 1HB SER 5 2.991 -20.569 -3.844 20 HB3 SER 5 2HB SER 5 4.640 -21.139 -3.584 21 HG SER 5 HG SER 5 2.881 -22.393 -2.581 22 H SER 6 H SER 6 2.974 -20.115 -0.328 23 HA SER 6 HA SER 6 0.680 -18.335 -0.662 24 HB2 SER 6 1HB SER 6 1.182 -20.626 1.251 25 HB3 SER 6 2HB SER 6 -0.287 -19.651 1.235 26 HG SER 6 HG SER 6 -0.795 -21.301 -0.063 27 H GLY 7 H GLY 7 1.431 -16.329 -0.063 28 HA2 GLY 7 1HA GLY 7 2.509 -16.089 2.674 29 HA3 GLY 7 2HA GLY 7 2.802 -14.936 1.380 30 H THR 8 H THR 8 1.977 -13.954 3.740 31 HA THR 8 HA THR 8 -0.865 -13.739 3.946 32 HB THR 8 HB THR 8 0.625 -13.460 5.902 33 HG1 THR 8 HG1 THR 8 -0.443 -11.431 6.612 34 HG21 THR 8 3HG2 THR 8 2.387 -12.174 4.657 35 HG22 THR 8 1HG2 THR 8 1.938 -11.486 6.217 36 HG23 THR 8 2HG2 THR 8 1.322 -10.770 4.727 37 H GLY 9 H GLY 9 -2.158 -11.886 3.569 38 HA2 GLY 9 1HA GLY 9 -1.999 -9.472 2.779 39 HA3 GLY 9 2HA GLY 9 -1.077 -10.148 1.444 40 H GLU 10 H GLU 10 -4.237 -9.817 2.881 41 HA GLU 10 HA GLU 10 -5.435 -10.989 0.460 42 HB2 GLU 10 1HB GLU 10 -6.666 -10.591 3.193 43 HB3 GLU 10 2HB GLU 10 -7.477 -11.295 1.801 44 HG2 GLU 10 1HG GLU 10 -4.972 -12.457 2.977 45 HG3 GLU 10 2HG GLU 10 -6.586 -12.905 3.526 46 H LYS 11 H LYS 11 -4.691 -8.091 1.853 47 HA LYS 11 HA LYS 11 -7.040 -6.720 0.738 48 HB2 LYS 11 1HB LYS 11 -5.085 -6.045 2.893 49 HB3 LYS 11 2HB LYS 11 -5.855 -4.731 2.012 50 HG2 LYS 11 1HG LYS 11 -7.121 -5.146 3.985 51 HG3 LYS 11 2HG LYS 11 -8.063 -5.714 2.605 52 HD2 LYS 11 1HD LYS 11 -8.269 -7.403 4.231 53 HD3 LYS 11 2HD LYS 11 -7.076 -8.013 3.081 54 HE2 LYS 11 1HE LYS 11 -6.318 -8.443 5.330 55 HE3 LYS 11 2HE LYS 11 -5.280 -7.229 4.584 56 HZ1 LYS 11 3HZ LYS 11 -6.911 -7.025 6.914 57 HZ2 LYS 11 1HZ LYS 11 -7.258 -5.791 5.808 58 HZ3 LYS 11 2HZ LYS 11 -5.678 -6.001 6.373 59 HA PRO 12 HA PRO 12 -4.693 -5.166 -2.640 60 HB2 PRO 12 1HB PRO 12 -6.060 -2.874 -3.139 61 HB3 PRO 12 2HB PRO 12 -6.696 -4.476 -3.531 62 HG2 PRO 12 1HG PRO 12 -7.291 -2.726 -1.176 63 HG3 PRO 12 2HG PRO 12 -8.405 -3.684 -2.168 64 HD2 PRO 12 1HD PRO 12 -7.525 -4.520 0.252 65 HD3 PRO 12 2HD PRO 12 -7.898 -5.645 -1.069 66 H TYR 13 H TYR 13 -4.791 -3.667 0.381 67 HA TYR 13 HA TYR 13 -2.749 -1.707 -0.442 68 HB2 TYR 13 1HB TYR 13 -4.693 -1.559 1.871 69 HB3 TYR 13 2HB TYR 13 -3.418 -0.389 1.552 70 HD1 TYR 13 HD1 TYR 13 -3.566 1.112 -0.392 71 HD2 TYR 13 HD2 TYR 13 -6.722 -1.571 0.583 72 HE1 TYR 13 HE1 TYR 13 -5.085 2.375 -1.858 73 HE2 TYR 13 HE2 TYR 13 -8.249 -0.316 -0.881 74 HH TYR 13 HH TYR 13 -8.468 1.377 -2.295 75 H LYS 14 H LYS 14 -0.868 -2.739 -0.063 76 HA LYS 14 HA LYS 14 -0.360 -3.606 2.697 77 HB2 LYS 14 1HB LYS 14 -0.636 -5.674 1.591 78 HB3 LYS 14 2HB LYS 14 0.228 -5.120 0.163 79 HG2 LYS 14 1HG LYS 14 2.298 -5.011 1.567 80 HG3 LYS 14 2HG LYS 14 1.383 -5.796 2.856 81 HD2 LYS 14 1HD LYS 14 0.830 -7.508 0.906 82 HD3 LYS 14 2HD LYS 14 2.356 -6.890 0.269 83 HE2 LYS 14 1HE LYS 14 3.568 -7.650 2.112 84 HE3 LYS 14 2HE LYS 14 2.126 -7.805 3.114 85 HZ1 LYS 14 3HZ LYS 14 2.031 -9.923 2.529 86 HZ2 LYS 14 1HZ LYS 14 3.353 -9.748 1.488 87 HZ3 LYS 14 2HZ LYS 14 1.784 -9.474 0.917 88 H CYS 15 H CYS 15 1.404 -2.713 3.547 89 HA CYS 15 HA CYS 15 2.959 -0.841 2.120 90 HB2 CYS 15 1HB CYS 15 2.551 -0.806 4.590 91 HB3 CYS 15 2HB CYS 15 3.653 -2.170 4.746 92 H ASN 16 H ASN 16 5.079 -0.911 1.392 93 HA ASN 16 HA ASN 16 6.083 -3.609 0.831 94 HB2 ASN 16 1HB ASN 16 6.772 -0.957 -0.454 95 HB3 ASN 16 2HB ASN 16 7.438 -2.517 -0.928 96 HD21 ASN 16 1HD2 ASN 16 5.706 -0.462 -2.288 97 HD22 ASN 16 2HD2 ASN 16 4.379 -1.374 -2.916 98 H GLU 17 H GLU 17 6.814 -0.690 2.534 99 HA GLU 17 HA GLU 17 9.606 -1.045 2.820 100 HB2 GLU 17 1HB GLU 17 7.608 0.438 4.534 101 HB3 GLU 17 2HB GLU 17 9.349 0.514 4.766 102 HG2 GLU 17 1HG GLU 17 8.229 1.163 2.088 103 HG3 GLU 17 2HG GLU 17 8.085 2.344 3.389 104 H CYS 18 H CYS 18 6.883 -1.850 4.966 105 HA CYS 18 HA CYS 18 8.693 -3.629 6.461 106 HB2 CYS 18 1HB CYS 18 7.145 -3.406 8.349 107 HB3 CYS 18 2HB CYS 18 7.735 -1.831 7.828 108 H GLY 19 H GLY 19 5.437 -3.337 5.093 109 HA2 GLY 19 1HA GLY 19 4.754 -5.353 3.777 110 HA3 GLY 19 2HA GLY 19 5.242 -6.286 5.184 111 H LYS 20 H LYS 20 4.127 -4.221 7.012 112 HA LYS 20 HA LYS 20 1.803 -5.278 7.801 113 HB2 LYS 20 1HB LYS 20 2.810 -2.479 7.830 114 HB3 LYS 20 2HB LYS 20 1.124 -2.732 8.260 115 HG2 LYS 20 1HG LYS 20 1.656 -3.969 10.146 116 HG3 LYS 20 2HG LYS 20 3.277 -4.349 9.560 117 HD2 LYS 20 1HD LYS 20 3.553 -1.723 9.687 118 HD3 LYS 20 2HD LYS 20 2.253 -1.880 10.871 119 HE2 LYS 20 1HE LYS 20 3.606 -3.524 12.105 120 HE3 LYS 20 2HE LYS 20 4.909 -3.312 10.936 121 HZ1 LYS 20 3HZ LYS 20 4.269 -1.732 13.201 122 HZ2 LYS 20 1HZ LYS 20 4.255 -0.779 11.804 123 HZ3 LYS 20 2HZ LYS 20 5.636 -1.667 12.207 124 H VAL 21 H VAL 21 -0.332 -5.300 7.262 125 HA VAL 21 HA VAL 21 -1.029 -4.105 4.662 126 HB VAL 21 HB VAL 21 -2.407 -6.423 6.018 127 HG11 VAL 21 1HG1 VAL 21 -2.613 -5.218 3.266 128 HG12 VAL 21 2HG1 VAL 21 -3.288 -6.790 3.697 129 HG13 VAL 21 3HG1 VAL 21 -3.873 -5.328 4.494 130 HG21 VAL 21 3HG2 VAL 21 -1.249 -7.691 4.074 131 HG22 VAL 21 1HG2 VAL 21 -0.121 -6.335 4.090 132 HG23 VAL 21 2HG2 VAL 21 -0.328 -7.327 5.533 133 H PHE 22 H PHE 22 -3.127 -3.200 4.391 134 HA PHE 22 HA PHE 22 -4.608 -2.602 6.846 135 HB2 PHE 22 1HB PHE 22 -3.733 -0.508 4.844 136 HB3 PHE 22 2HB PHE 22 -4.782 -0.226 6.229 137 HD1 PHE 22 HD1 PHE 22 -1.396 -1.536 5.396 138 HD2 PHE 22 HD2 PHE 22 -3.855 0.511 8.204 139 HE1 PHE 22 HE1 PHE 22 0.579 -1.086 6.792 140 HE2 PHE 22 HE2 PHE 22 -1.884 0.965 9.604 141 HZ PHE 22 HZ PHE 22 0.337 0.167 8.899 142 H ARG 23 H ARG 23 -6.803 -2.066 6.530 143 HA ARG 23 HA ARG 23 -7.969 -3.312 4.221 144 HB2 ARG 23 1HB ARG 23 -8.875 -3.360 6.611 145 HB3 ARG 23 2HB ARG 23 -9.442 -1.722 6.313 146 HG2 ARG 23 1HG ARG 23 -10.686 -2.638 4.324 147 HG3 ARG 23 2HG ARG 23 -10.286 -4.248 4.926 148 HD2 ARG 23 1HD ARG 23 -11.298 -3.368 7.156 149 HD3 ARG 23 2HD ARG 23 -12.062 -2.161 6.122 150 HE ARG 23 HE ARG 23 -12.721 -4.422 4.868 151 HH11 ARG 23 1HH1 ARG 23 -12.855 -3.547 8.235 152 HH12 ARG 23 2HH1 ARG 23 -14.212 -4.567 8.581 153 HH21 ARG 23 1HH2 ARG 23 -14.508 -5.769 5.311 154 HH22 ARG 23 2HH2 ARG 23 -15.151 -5.831 6.917 155 H HIS 24 H HIS 24 -7.836 -0.007 5.510 156 HA HIS 24 HA HIS 24 -8.769 0.966 2.890 157 HB2 HIS 24 1HB HIS 24 -10.092 1.419 5.129 158 HB3 HIS 24 2HB HIS 24 -8.883 2.682 5.336 159 HD1 HIS 24 HD1 HIS 24 -9.179 4.797 4.001 160 HD2 HIS 24 HD2 HIS 24 -11.762 1.767 2.812 161 HE1 HIS 24 HE1 HIS 24 -10.791 5.877 2.402 162 H ASN 25 H ASN 25 -7.699 2.695 1.926 163 HA ASN 25 HA ASN 25 -4.923 2.815 2.283 164 HB2 ASN 25 1HB ASN 25 -5.516 3.456 0.156 165 HB3 ASN 25 2HB ASN 25 -6.922 4.363 0.706 166 HD21 ASN 25 1HD2 ASN 25 -3.852 4.596 -0.504 167 HD22 ASN 25 2HD2 ASN 25 -3.517 6.241 -0.093 168 H SER 26 H SER 26 -7.481 5.066 3.275 169 HA SER 26 HA SER 26 -6.134 7.191 4.239 170 HB2 SER 26 1HB SER 26 -8.437 5.722 5.532 171 HB3 SER 26 2HB SER 26 -7.854 7.285 6.102 172 HG SER 26 HG SER 26 -9.650 7.253 4.508 173 H TYR 27 H TYR 27 -6.507 4.101 5.946 174 HA TYR 27 HA TYR 27 -5.041 4.879 8.243 175 HB2 TYR 27 1HB TYR 27 -5.620 2.125 7.133 176 HB3 TYR 27 2HB TYR 27 -4.957 2.446 8.732 177 HD1 TYR 27 HD2 TYR 27 -6.531 4.617 9.764 178 HD2 TYR 27 HD1 TYR 27 -7.776 1.330 7.367 179 HE1 TYR 27 HE2 TYR 27 -8.808 4.826 10.671 180 HE2 TYR 27 HE1 TYR 27 -10.056 1.530 8.266 181 HH TYR 27 HH TYR 27 -11.388 3.805 9.413 182 H LEU 28 H LEU 28 -4.154 3.008 5.354 183 HA LEU 28 HA LEU 28 -1.528 2.409 6.030 184 HB2 LEU 28 1HB LEU 28 -2.565 1.394 4.128 185 HB3 LEU 28 2HB LEU 28 -2.779 2.960 3.347 186 HG LEU 28 HG LEU 28 -0.311 3.134 3.136 187 HD11 LEU 28 1HD1 LEU 28 0.009 1.442 5.067 188 HD12 LEU 28 2HD1 LEU 28 1.138 1.426 3.712 189 HD13 LEU 28 3HD1 LEU 28 -0.149 0.223 3.801 190 HD21 LEU 28 3HD2 LEU 28 -0.158 1.156 1.467 191 HD22 LEU 28 1HD2 LEU 28 -1.324 2.446 1.174 192 HD23 LEU 28 2HD2 LEU 28 -1.860 0.914 1.864 193 H SER 29 H SER 29 -2.855 5.304 4.490 194 HA SER 29 HA SER 29 -0.496 6.596 3.816 195 HB2 SER 29 1HB SER 29 -2.794 7.360 3.201 196 HB3 SER 29 2HB SER 29 -3.007 7.927 4.857 197 HG SER 29 HG SER 29 -2.065 9.681 4.218 198 H ARG 30 H ARG 30 -2.291 6.698 6.878 199 HA ARG 30 HA ARG 30 -0.544 8.495 8.182 200 HB2 ARG 30 1HB ARG 30 -2.569 6.501 9.173 201 HB3 ARG 30 2HB ARG 30 -1.599 7.459 10.285 202 HG2 ARG 30 1HG ARG 30 -2.629 9.434 9.695 203 HG3 ARG 30 2HG ARG 30 -3.143 8.817 8.124 204 HD2 ARG 30 1HD ARG 30 -5.139 8.751 9.225 205 HD3 ARG 30 2HD ARG 30 -4.529 7.149 9.633 206 HE ARG 30 HE ARG 30 -4.259 7.829 11.821 207 HH11 ARG 30 1HH1 ARG 30 -5.023 10.559 9.801 208 HH12 ARG 30 2HH1 ARG 30 -5.315 11.629 11.132 209 HH21 ARG 30 1HH2 ARG 30 -4.640 9.227 13.583 210 HH22 ARG 30 2HH2 ARG 30 -5.096 10.870 13.283 211 H HIS 31 H HIS 31 -0.639 4.978 7.952 212 HA HIS 31 HA HIS 31 1.362 4.446 9.871 213 HB2 HIS 31 1HB HIS 31 0.124 2.563 9.336 214 HB3 HIS 31 2HB HIS 31 0.140 2.914 7.611 215 HD1 HIS 31 HD1 HIS 31 2.582 1.799 10.304 216 HD2 HIS 31 HD2 HIS 31 1.923 1.425 6.219 217 HE1 HIS 31 HE1 HIS 31 4.328 0.185 9.486 218 H GLN 32 H GLN 32 1.567 4.464 6.308 219 HA GLN 32 HA GLN 32 4.196 4.004 5.897 220 HB2 GLN 32 1HB GLN 32 2.326 5.921 4.539 221 HB3 GLN 32 2HB GLN 32 3.998 5.777 4.011 222 HG2 GLN 32 1HG GLN 32 2.307 3.333 4.275 223 HG3 GLN 32 2HG GLN 32 2.143 4.375 2.862 224 HE21 GLN 32 1HE2 GLN 32 3.160 3.470 1.228 225 HE22 GLN 32 2HE2 GLN 32 4.733 2.757 1.276 226 H ARG 33 H ARG 33 2.836 6.772 7.452 227 HA ARG 33 HA ARG 33 4.751 8.717 7.147 228 HB2 ARG 33 1HB ARG 33 3.304 8.013 9.707 229 HB3 ARG 33 2HB ARG 33 4.083 9.550 9.357 230 HG2 ARG 33 1HG ARG 33 1.949 8.537 7.538 231 HG3 ARG 33 2HG ARG 33 1.512 9.286 9.075 232 HD2 ARG 33 1HD ARG 33 3.435 10.646 7.232 233 HD3 ARG 33 2HD ARG 33 1.701 10.746 6.929 234 HE ARG 33 HE ARG 33 3.175 12.012 9.068 235 HH11 ARG 33 1HH1 ARG 33 0.060 11.012 7.876 236 HH12 ARG 33 2HH1 ARG 33 -0.821 12.136 8.857 237 HH21 ARG 33 1HH2 ARG 33 2.025 13.496 10.365 238 HH22 ARG 33 2HH2 ARG 33 0.297 13.548 10.272 239 H ILE 34 H ILE 34 4.740 6.113 9.575 240 HA ILE 34 HA ILE 34 7.067 6.715 10.917 241 HB ILE 34 HB ILE 34 7.225 4.394 11.547 242 HG12 ILE 34 1HG1 ILE 34 5.040 3.583 9.682 243 HG13 ILE 34 2HG1 ILE 34 6.672 3.726 9.037 244 HG21 ILE 34 1HG2 ILE 34 5.532 5.034 12.861 245 HG22 ILE 34 2HG2 ILE 34 4.679 5.820 11.533 246 HG23 ILE 34 3HG2 ILE 34 4.517 4.082 11.778 247 HD11 ILE 34 3HD1 ILE 34 6.599 2.237 11.521 248 HD12 ILE 34 1HD1 ILE 34 5.584 1.520 10.270 249 HD13 ILE 34 2HD1 ILE 34 7.297 1.807 9.960 250 H HIS 35 H HIS 35 6.705 5.675 7.674 251 HA HIS 35 HA HIS 35 9.486 4.812 7.459 252 HB2 HIS 35 1HB HIS 35 7.236 4.848 5.439 253 HB3 HIS 35 2HB HIS 35 8.867 4.276 5.099 254 HD1 HIS 35 HD1 HIS 35 9.562 2.002 6.115 255 HD2 HIS 35 HD2 HIS 35 5.647 3.113 6.951 256 HE1 HIS 35 HE1 HIS 35 8.454 -0.068 7.018 257 H THR 36 H THR 36 7.425 6.903 5.436 258 HA THR 36 HA THR 36 9.421 8.300 4.161 259 HB THR 36 HB THR 36 7.108 8.525 3.477 260 HG1 THR 36 HG1 THR 36 7.717 11.140 4.297 261 HG21 THR 36 3HG2 THR 36 6.457 10.399 5.689 262 HG22 THR 36 1HG2 THR 36 6.420 8.672 6.043 263 HG23 THR 36 2HG2 THR 36 5.401 9.332 4.764 264 H GLY 37 H GLY 37 7.944 8.986 7.305 265 HA2 GLY 37 1HA GLY 37 8.629 10.324 9.039 266 HA3 GLY 37 2HA GLY 37 10.245 10.200 8.359 267 H GLU 38 H GLU 38 10.877 12.296 8.661 268 HA GLU 38 HA GLU 38 9.387 14.314 7.116 269 HB2 GLU 38 1HB GLU 38 10.566 14.470 9.861 270 HB3 GLU 38 2HB GLU 38 10.507 15.921 8.870 271 HG2 GLU 38 1HG GLU 38 8.134 15.822 8.728 272 HG3 GLU 38 2HG GLU 38 8.100 14.226 9.475 273 H LYS 39 H LYS 39 10.747 16.175 6.435 274 HA LYS 39 HA LYS 39 12.985 15.305 4.985 275 HB2 LYS 39 1HB LYS 39 13.352 17.686 4.481 276 HB3 LYS 39 2HB LYS 39 11.664 17.229 4.290 277 HG2 LYS 39 1HG LYS 39 10.988 18.433 6.131 278 HG3 LYS 39 2HG LYS 39 12.588 18.395 6.875 279 HD2 LYS 39 1HD LYS 39 12.564 20.560 6.150 280 HD3 LYS 39 2HD LYS 39 13.222 19.783 4.708 281 HE2 LYS 39 1HE LYS 39 10.272 20.206 5.076 282 HE3 LYS 39 2HE LYS 39 11.310 21.458 4.398 283 HZ1 LYS 39 3HZ LYS 39 11.725 18.911 3.166 284 HZ2 LYS 39 1HZ LYS 39 11.389 20.409 2.455 285 HZ3 LYS 39 2HZ LYS 39 10.124 19.434 3.012 286 HA PRO 40 HA PRO 40 16.260 15.460 7.922 287 HB2 PRO 40 1HB PRO 40 18.350 15.802 6.223 288 HB3 PRO 40 2HB PRO 40 17.489 14.267 6.391 289 HG2 PRO 40 1HG PRO 40 17.189 16.389 4.300 290 HG3 PRO 40 2HG PRO 40 17.236 14.627 4.107 291 HD2 PRO 40 1HD PRO 40 14.922 16.032 4.090 292 HD3 PRO 40 2HD PRO 40 15.028 14.375 4.716 293 H SER 41 H SER 41 15.612 17.470 8.903 294 HA SER 41 HA SER 41 16.736 19.921 7.804 295 HB2 SER 41 1HB SER 41 15.562 21.007 9.726 296 HB3 SER 41 2HB SER 41 14.486 20.078 8.682 297 HG SER 41 HG SER 41 13.933 19.099 10.451 298 H GLY 42 H GLY 42 16.749 18.397 11.036 299 HA2 GLY 42 1HA GLY 42 19.060 19.854 11.870 300 HA3 GLY 42 2HA GLY 42 18.304 18.521 12.731 301 HA PRO 43 HA PRO 43 22.459 17.158 11.126 302 HB2 PRO 43 1HB PRO 43 23.347 16.199 13.506 303 HB3 PRO 43 2HB PRO 43 23.552 17.884 13.012 304 HG2 PRO 43 1HG PRO 43 21.497 16.678 14.825 305 HG3 PRO 43 2HG PRO 43 22.413 18.185 15.017 306 HD2 PRO 43 1HD PRO 43 19.854 18.137 14.134 307 HD3 PRO 43 2HD PRO 43 21.028 19.355 13.594 308 H SER 44 H SER 44 21.738 15.437 9.942 309 HA SER 44 HA SER 44 20.114 13.363 10.646 310 HB2 SER 44 1HB SER 44 21.181 13.840 8.374 311 HB3 SER 44 2HB SER 44 22.575 12.928 8.952 312 HG SER 44 HG SER 44 21.386 11.108 9.003 313 H SER 45 H SER 45 20.359 11.306 11.517 314 HA SER 45 HA SER 45 22.880 10.816 12.960 315 HB2 SER 45 1HB SER 45 20.859 11.587 14.375 316 HB3 SER 45 2HB SER 45 20.202 9.982 14.056 317 HG SER 45 HG SER 45 22.775 10.436 15.155 318 H GLY 46 H GLY 46 23.738 8.830 12.748 319 HA2 GLY 46 1HA GLY 46 22.093 6.795 11.374 320 HA3 GLY 46 2HA GLY 46 23.807 7.021 11.059 Start of MODEL 10 1 H1 GLY 1 H GLY 1 16.261 -22.265 9.035 2 HA2 GLY 1 1HA GLY 1 14.213 -22.735 7.759 3 HA3 GLY 1 2HA GLY 1 13.512 -23.329 9.257 4 H SER 2 H SER 2 12.745 -21.137 7.339 5 HA SER 2 HA SER 2 12.914 -18.792 9.077 6 HB2 SER 2 1HB SER 2 13.417 -18.515 6.669 7 HB3 SER 2 2HB SER 2 11.780 -19.043 6.280 8 HG SER 2 HG SER 2 12.637 -16.601 6.972 9 H SER 3 H SER 3 10.919 -17.475 9.349 10 HA SER 3 HA SER 3 8.711 -19.232 10.100 11 HB2 SER 3 1HB SER 3 9.766 -17.489 11.671 12 HB3 SER 3 2HB SER 3 8.904 -16.286 10.711 13 HG SER 3 HG SER 3 7.512 -16.796 12.304 14 H GLY 4 H GLY 4 6.469 -18.426 9.757 15 HA2 GLY 4 1HA GLY 4 5.641 -18.314 7.225 16 HA3 GLY 4 2HA GLY 4 4.811 -17.404 8.479 17 H SER 5 H SER 5 6.434 -17.208 5.557 18 HA SER 5 HA SER 5 7.778 -14.794 5.619 19 HB2 SER 5 1HB SER 5 6.083 -15.835 3.336 20 HB3 SER 5 2HB SER 5 7.398 -14.667 3.212 21 HG SER 5 HG SER 5 7.573 -17.280 3.066 22 H SER 6 H SER 6 7.224 -12.697 5.684 23 HA SER 6 HA SER 6 4.582 -11.969 6.440 24 HB2 SER 6 1HB SER 6 5.474 -9.626 6.313 25 HB3 SER 6 2HB SER 6 6.439 -10.707 7.318 26 HG SER 6 HG SER 6 8.020 -10.049 6.099 27 H GLY 7 H GLY 7 3.130 -12.464 4.823 28 HA2 GLY 7 1HA GLY 7 2.552 -10.545 2.906 29 HA3 GLY 7 2HA GLY 7 3.508 -11.775 2.092 30 H THR 8 H THR 8 0.852 -11.768 4.474 31 HA THR 8 HA THR 8 -0.622 -13.582 2.683 32 HB THR 8 HB THR 8 -1.550 -14.659 4.788 33 HG1 THR 8 HG1 THR 8 -0.862 -13.888 6.626 34 HG21 THR 8 3HG2 THR 8 -0.164 -16.161 3.820 35 HG22 THR 8 1HG2 THR 8 0.880 -15.776 5.187 36 HG23 THR 8 2HG2 THR 8 1.142 -14.991 3.630 37 H GLY 9 H GLY 9 -0.927 -10.770 2.816 38 HA2 GLY 9 1HA GLY 9 -3.347 -10.331 4.401 39 HA3 GLY 9 2HA GLY 9 -2.426 -9.099 3.551 40 H GLU 10 H GLU 10 -5.331 -10.420 3.590 41 HA GLU 10 HA GLU 10 -5.675 -10.871 0.742 42 HB2 GLU 10 1HB GLU 10 -7.381 -11.184 3.170 43 HB3 GLU 10 2HB GLU 10 -8.176 -10.991 1.614 44 HG2 GLU 10 1HG GLU 10 -6.044 -13.050 2.054 45 HG3 GLU 10 2HG GLU 10 -7.736 -13.359 2.436 46 H LYS 11 H LYS 11 -4.837 -8.240 1.613 47 HA LYS 11 HA LYS 11 -7.160 -6.668 0.709 48 HB2 LYS 11 1HB LYS 11 -5.062 -6.037 2.766 49 HB3 LYS 11 2HB LYS 11 -5.936 -4.750 1.947 50 HG2 LYS 11 1HG LYS 11 -7.178 -5.038 3.861 51 HG3 LYS 11 2HG LYS 11 -8.050 -6.047 2.704 52 HD2 LYS 11 1HD LYS 11 -6.861 -8.022 3.548 53 HD3 LYS 11 2HD LYS 11 -6.013 -7.006 4.717 54 HE2 LYS 11 1HE LYS 11 -8.365 -6.318 5.501 55 HE3 LYS 11 2HE LYS 11 -8.923 -7.731 4.607 56 HZ1 LYS 11 3HZ LYS 11 -6.820 -8.642 6.100 57 HZ2 LYS 11 1HZ LYS 11 -8.461 -8.883 6.432 58 HZ3 LYS 11 2HZ LYS 11 -7.635 -7.593 7.148 59 HA PRO 12 HA PRO 12 -4.697 -5.434 -2.724 60 HB2 PRO 12 1HB PRO 12 -5.968 -3.120 -3.360 61 HB3 PRO 12 2HB PRO 12 -6.658 -4.715 -3.682 62 HG2 PRO 12 1HG PRO 12 -7.221 -2.828 -1.427 63 HG3 PRO 12 2HG PRO 12 -8.356 -3.792 -2.390 64 HD2 PRO 12 1HD PRO 12 -7.545 -4.538 0.084 65 HD3 PRO 12 2HD PRO 12 -7.941 -5.714 -1.186 66 H TYR 13 H TYR 13 -4.785 -3.780 0.215 67 HA TYR 13 HA TYR 13 -2.676 -1.923 -0.672 68 HB2 TYR 13 1HB TYR 13 -4.514 -1.623 1.711 69 HB3 TYR 13 2HB TYR 13 -3.311 -0.458 1.169 70 HD1 TYR 13 HD2 TYR 13 -6.587 -1.955 0.440 71 HD2 TYR 13 HD1 TYR 13 -3.736 0.987 -0.709 72 HE1 TYR 13 HE2 TYR 13 -8.276 -0.887 -0.994 73 HE2 TYR 13 HE1 TYR 13 -5.418 2.064 -2.146 74 HH TYR 13 HH TYR 13 -8.749 1.213 -2.029 75 H LYS 14 H LYS 14 -0.730 -2.610 -0.102 76 HA LYS 14 HA LYS 14 -0.334 -3.647 2.611 77 HB2 LYS 14 1HB LYS 14 -0.437 -5.645 1.308 78 HB3 LYS 14 2HB LYS 14 0.589 -4.958 0.056 79 HG2 LYS 14 1HG LYS 14 2.453 -4.896 1.694 80 HG3 LYS 14 2HG LYS 14 1.410 -5.734 2.846 81 HD2 LYS 14 1HD LYS 14 1.417 -7.698 1.619 82 HD3 LYS 14 2HD LYS 14 1.838 -6.876 0.115 83 HE2 LYS 14 1HE LYS 14 4.049 -6.312 1.394 84 HE3 LYS 14 2HE LYS 14 3.587 -7.688 2.395 85 HZ1 LYS 14 3HZ LYS 14 4.568 -7.633 -0.321 86 HZ2 LYS 14 1HZ LYS 14 3.251 -8.668 -0.078 87 HZ3 LYS 14 2HZ LYS 14 4.659 -8.861 0.839 88 H CYS 15 H CYS 15 1.340 -2.729 3.613 89 HA CYS 15 HA CYS 15 2.814 -0.646 2.425 90 HB2 CYS 15 1HB CYS 15 2.306 -0.980 4.897 91 HB3 CYS 15 2HB CYS 15 3.626 -2.145 4.915 92 H ASN 16 H ASN 16 4.556 -0.685 1.175 93 HA ASN 16 HA ASN 16 6.000 -3.205 0.843 94 HB2 ASN 16 1HB ASN 16 5.636 -0.749 -0.814 95 HB3 ASN 16 2HB ASN 16 7.097 -1.704 -1.050 96 HD21 ASN 16 1HD2 ASN 16 4.473 -1.184 -2.569 97 HD22 ASN 16 2HD2 ASN 16 3.997 -2.765 -3.080 98 H GLU 17 H GLU 17 6.264 -0.953 3.005 99 HA GLU 17 HA GLU 17 9.133 -0.430 2.714 100 HB2 GLU 17 1HB GLU 17 7.001 0.746 4.488 101 HB3 GLU 17 2HB GLU 17 8.712 1.037 4.769 102 HG2 GLU 17 1HG GLU 17 7.550 1.575 2.078 103 HG3 GLU 17 2HG GLU 17 7.300 2.727 3.388 104 H CYS 18 H CYS 18 6.789 -1.903 4.908 105 HA CYS 18 HA CYS 18 9.032 -3.220 6.295 106 HB2 CYS 18 1HB CYS 18 7.525 -3.319 8.297 107 HB3 CYS 18 2HB CYS 18 8.015 -1.690 7.841 108 H GLY 19 H GLY 19 5.589 -3.528 5.444 109 HA2 GLY 19 1HA GLY 19 5.177 -5.651 4.116 110 HA3 GLY 19 2HA GLY 19 5.942 -6.459 5.476 111 H LYS 20 H LYS 20 3.858 -3.716 5.965 112 HA LYS 20 HA LYS 20 2.019 -5.413 7.457 113 HB2 LYS 20 1HB LYS 20 2.633 -2.499 7.375 114 HB3 LYS 20 2HB LYS 20 1.018 -2.981 7.880 115 HG2 LYS 20 1HG LYS 20 2.285 -4.580 9.489 116 HG3 LYS 20 2HG LYS 20 3.646 -3.493 9.198 117 HD2 LYS 20 1HD LYS 20 2.682 -2.514 11.045 118 HD3 LYS 20 2HD LYS 20 1.885 -1.632 9.740 119 HE2 LYS 20 1HE LYS 20 0.047 -3.389 9.899 120 HE3 LYS 20 2HE LYS 20 0.797 -3.878 11.417 121 HZ1 LYS 20 3HZ LYS 20 0.365 -1.046 11.227 122 HZ2 LYS 20 1HZ LYS 20 -0.044 -2.120 12.469 123 HZ3 LYS 20 2HZ LYS 20 -1.071 -1.936 11.138 124 H VAL 21 H VAL 21 -0.371 -4.438 7.335 125 HA VAL 21 HA VAL 21 -1.150 -3.866 4.588 126 HB VAL 21 HB VAL 21 -2.480 -6.168 5.992 127 HG11 VAL 21 1HG1 VAL 21 -3.643 -4.987 4.137 128 HG12 VAL 21 2HG1 VAL 21 -2.319 -5.455 3.068 129 HG13 VAL 21 3HG1 VAL 21 -3.333 -6.692 3.813 130 HG21 VAL 21 3HG2 VAL 21 -1.120 -7.614 4.406 131 HG22 VAL 21 1HG2 VAL 21 -0.063 -6.217 4.204 132 HG23 VAL 21 2HG2 VAL 21 -0.263 -6.950 5.796 133 H PHE 22 H PHE 22 -3.217 -2.964 4.388 134 HA PHE 22 HA PHE 22 -4.757 -2.538 6.834 135 HB2 PHE 22 1HB PHE 22 -3.910 -0.256 5.038 136 HB3 PHE 22 2HB PHE 22 -4.894 -0.137 6.494 137 HD1 PHE 22 HD1 PHE 22 -1.522 -1.105 5.286 138 HD2 PHE 22 HD2 PHE 22 -3.898 0.193 8.570 139 HE1 PHE 22 HE1 PHE 22 0.515 -0.782 6.628 140 HE2 PHE 22 HE2 PHE 22 -1.865 0.519 9.917 141 HZ PHE 22 HZ PHE 22 0.345 0.032 8.946 142 H ARG 23 H ARG 23 -6.942 -2.204 6.509 143 HA ARG 23 HA ARG 23 -8.073 -3.277 4.173 144 HB2 ARG 23 1HB ARG 23 -9.340 -1.595 6.342 145 HB3 ARG 23 2HB ARG 23 -10.233 -2.475 5.109 146 HG2 ARG 23 1HG ARG 23 -9.512 -4.572 5.968 147 HG3 ARG 23 2HG ARG 23 -8.358 -3.794 7.054 148 HD2 ARG 23 1HD ARG 23 -10.241 -4.432 8.361 149 HD3 ARG 23 2HD ARG 23 -10.300 -2.680 8.175 150 HE ARG 23 HE ARG 23 -11.836 -4.142 6.221 151 HH11 ARG 23 1HH1 ARG 23 -11.837 -2.636 9.360 152 HH12 ARG 23 2HH1 ARG 23 -13.555 -2.412 9.396 153 HH21 ARG 23 1HH2 ARG 23 -14.099 -3.853 6.257 154 HH22 ARG 23 2HH2 ARG 23 -14.840 -3.105 7.631 155 H HIS 24 H HIS 24 -8.071 0.088 5.354 156 HA HIS 24 HA HIS 24 -8.661 0.962 2.605 157 HB2 HIS 24 1HB HIS 24 -10.169 1.538 4.701 158 HB3 HIS 24 2HB HIS 24 -8.961 2.797 4.944 159 HD1 HIS 24 HD1 HIS 24 -9.032 4.805 3.397 160 HD2 HIS 24 HD2 HIS 24 -11.706 1.815 2.317 161 HE1 HIS 24 HE1 HIS 24 -10.504 5.825 1.631 162 H ASN 25 H ASN 25 -7.427 2.550 1.641 163 HA ASN 25 HA ASN 25 -4.708 2.662 2.293 164 HB2 ASN 25 1HB ASN 25 -4.672 4.611 0.659 165 HB3 ASN 25 2HB ASN 25 -5.322 3.096 0.039 166 HD21 ASN 25 1HD2 ASN 25 -5.780 6.321 0.095 167 HD22 ASN 25 2HD2 ASN 25 -7.481 6.389 -0.200 168 H SER 26 H SER 26 -7.308 5.010 2.860 169 HA SER 26 HA SER 26 -6.061 7.189 3.801 170 HB2 SER 26 1HB SER 26 -7.923 7.515 5.387 171 HB3 SER 26 2HB SER 26 -8.500 6.946 3.820 172 HG SER 26 HG SER 26 -8.609 5.736 6.280 173 H TYR 27 H TYR 27 -6.538 4.214 5.677 174 HA TYR 27 HA TYR 27 -5.202 5.185 7.997 175 HB2 TYR 27 1HB TYR 27 -5.745 2.327 7.167 176 HB3 TYR 27 2HB TYR 27 -5.304 2.870 8.782 177 HD1 TYR 27 HD2 TYR 27 -6.934 4.884 9.628 178 HD2 TYR 27 HD1 TYR 27 -7.967 1.825 6.857 179 HE1 TYR 27 HE2 TYR 27 -9.311 5.200 10.176 180 HE2 TYR 27 HE1 TYR 27 -10.347 2.133 7.396 181 HH TYR 27 HH TYR 27 -11.445 4.758 9.432 182 H LEU 28 H LEU 28 -4.246 2.841 5.486 183 HA LEU 28 HA LEU 28 -1.738 2.177 6.269 184 HB2 LEU 28 1HB LEU 28 -2.508 1.178 4.312 185 HB3 LEU 28 2HB LEU 28 -2.867 2.727 3.552 186 HG LEU 28 HG LEU 28 -0.407 3.124 3.372 187 HD11 LEU 28 1HD1 LEU 28 -0.281 0.260 4.301 188 HD12 LEU 28 2HD1 LEU 28 0.389 1.672 5.117 189 HD13 LEU 28 3HD1 LEU 28 1.061 1.144 3.575 190 HD21 LEU 28 3HD2 LEU 28 -0.143 1.798 1.423 191 HD22 LEU 28 1HD2 LEU 28 -1.861 2.176 1.547 192 HD23 LEU 28 2HD2 LEU 28 -1.273 0.580 2.014 193 H SER 29 H SER 29 -2.781 5.263 5.025 194 HA SER 29 HA SER 29 -0.246 6.347 4.425 195 HB2 SER 29 1HB SER 29 -2.349 7.352 3.629 196 HB3 SER 29 2HB SER 29 -2.771 7.782 5.286 197 HG SER 29 HG SER 29 -0.691 8.970 5.253 198 H ARG 30 H ARG 30 -2.300 6.722 7.314 199 HA ARG 30 HA ARG 30 -0.567 8.286 8.819 200 HB2 ARG 30 1HB ARG 30 -1.987 7.922 10.585 201 HB3 ARG 30 2HB ARG 30 -3.029 7.435 9.254 202 HG2 ARG 30 1HG ARG 30 -2.114 5.066 9.697 203 HG3 ARG 30 2HG ARG 30 -1.602 5.728 11.251 204 HD2 ARG 30 1HD ARG 30 -3.751 6.022 11.989 205 HD3 ARG 30 2HD ARG 30 -4.399 6.210 10.360 206 HE ARG 30 HE ARG 30 -4.702 3.939 10.248 207 HH11 ARG 30 1HH1 ARG 30 -2.660 4.703 12.963 208 HH12 ARG 30 2HH1 ARG 30 -2.696 3.096 13.609 209 HH21 ARG 30 1HH2 ARG 30 -4.757 1.819 11.089 210 HH22 ARG 30 2HH2 ARG 30 -3.888 1.456 12.542 211 H HIS 31 H HIS 31 -0.274 5.016 7.896 212 HA HIS 31 HA HIS 31 1.583 4.371 10.052 213 HB2 HIS 31 1HB HIS 31 0.244 2.519 9.638 214 HB3 HIS 31 2HB HIS 31 0.223 2.794 7.899 215 HD1 HIS 31 HD1 HIS 31 2.568 1.564 10.609 216 HD2 HIS 31 HD2 HIS 31 2.053 1.337 6.493 217 HE1 HIS 31 HE1 HIS 31 4.272 -0.103 9.809 218 H GLN 32 H GLN 32 1.690 3.878 6.521 219 HA GLN 32 HA GLN 32 4.296 3.490 6.075 220 HB2 GLN 32 1HB GLN 32 2.254 5.036 4.552 221 HB3 GLN 32 2HB GLN 32 3.927 5.132 4.017 222 HG2 GLN 32 1HG GLN 32 3.861 2.554 4.103 223 HG3 GLN 32 2HG GLN 32 2.110 2.762 4.108 224 HE21 GLN 32 1HE2 GLN 32 2.146 1.626 2.087 225 HE22 GLN 32 2HE2 GLN 32 2.519 2.471 0.628 226 H ARG 33 H ARG 33 2.858 6.566 6.967 227 HA ARG 33 HA ARG 33 4.838 8.367 6.438 228 HB2 ARG 33 1HB ARG 33 3.983 9.720 8.201 229 HB3 ARG 33 2HB ARG 33 2.621 8.820 7.547 230 HG2 ARG 33 1HG ARG 33 2.822 7.218 9.410 231 HG3 ARG 33 2HG ARG 33 4.125 8.202 10.080 232 HD2 ARG 33 1HD ARG 33 2.367 10.126 9.907 233 HD3 ARG 33 2HD ARG 33 1.206 8.799 9.870 234 HE ARG 33 HE ARG 33 1.585 8.461 12.098 235 HH11 ARG 33 1HH1 ARG 33 4.172 10.390 10.792 236 HH12 ARG 33 2HH1 ARG 33 4.891 10.706 12.336 237 HH21 ARG 33 1HH2 ARG 33 2.522 8.870 14.137 238 HH22 ARG 33 2HH2 ARG 33 3.952 9.840 14.238 239 H ILE 34 H ILE 34 4.641 6.258 9.295 240 HA ILE 34 HA ILE 34 6.757 7.043 10.781 241 HB ILE 34 HB ILE 34 6.994 4.829 11.614 242 HG12 ILE 34 1HG1 ILE 34 5.502 3.791 9.200 243 HG13 ILE 34 2HG1 ILE 34 7.258 3.791 9.324 244 HG21 ILE 34 1HG2 ILE 34 4.987 5.042 12.534 245 HG22 ILE 34 2HG2 ILE 34 4.433 6.000 11.162 246 HG23 ILE 34 3HG2 ILE 34 4.277 4.243 11.131 247 HD11 ILE 34 3HD1 ILE 34 7.132 1.822 10.312 248 HD12 ILE 34 1HD1 ILE 34 6.309 2.588 11.670 249 HD13 ILE 34 2HD1 ILE 34 5.371 1.906 10.341 250 H HIS 35 H HIS 35 6.896 5.490 7.662 251 HA HIS 35 HA HIS 35 9.715 4.926 7.791 252 HB2 HIS 35 1HB HIS 35 7.913 4.993 5.363 253 HB3 HIS 35 2HB HIS 35 9.493 4.224 5.480 254 HD1 HIS 35 HD1 HIS 35 9.315 2.515 7.896 255 HD2 HIS 35 HD2 HIS 35 6.099 3.000 5.311 256 HE1 HIS 35 HE1 HIS 35 7.846 0.508 8.267 257 H THR 36 H THR 36 7.833 7.041 5.618 258 HA THR 36 HA THR 36 9.812 8.464 4.442 259 HB THR 36 HB THR 36 8.296 10.290 4.116 260 HG1 THR 36 HG1 THR 36 6.839 9.198 6.312 261 HG21 THR 36 3HG2 THR 36 7.060 9.005 2.782 262 HG22 THR 36 1HG2 THR 36 6.096 8.476 4.160 263 HG23 THR 36 2HG2 THR 36 7.549 7.585 3.706 264 H GLY 37 H GLY 37 8.440 9.128 7.652 265 HA2 GLY 37 1HA GLY 37 9.953 11.441 8.194 266 HA3 GLY 37 2HA GLY 37 9.215 10.397 9.400 267 H GLU 38 H GLU 38 10.553 8.044 9.072 268 HA GLU 38 HA GLU 38 12.921 8.476 10.496 269 HB2 GLU 38 1HB GLU 38 11.536 6.350 10.384 270 HB3 GLU 38 2HB GLU 38 12.327 6.019 8.849 271 HG2 GLU 38 1HG GLU 38 14.330 5.542 9.819 272 HG3 GLU 38 2HG GLU 38 14.042 6.603 11.197 273 H LYS 39 H LYS 39 15.012 8.724 9.932 274 HA LYS 39 HA LYS 39 15.648 9.569 7.303 275 HB2 LYS 39 1HB LYS 39 17.908 9.829 8.112 276 HB3 LYS 39 2HB LYS 39 16.791 10.391 9.349 277 HG2 LYS 39 1HG LYS 39 17.043 7.962 10.272 278 HG3 LYS 39 2HG LYS 39 18.532 7.973 9.324 279 HD2 LYS 39 1HD LYS 39 17.833 10.132 11.304 280 HD3 LYS 39 2HD LYS 39 18.746 8.686 11.743 281 HE2 LYS 39 1HE LYS 39 20.390 9.274 9.963 282 HE3 LYS 39 2HE LYS 39 19.516 10.785 9.720 283 HZ1 LYS 39 3HZ LYS 39 20.898 9.915 12.199 284 HZ2 LYS 39 1HZ LYS 39 19.944 11.307 12.078 285 HZ3 LYS 39 2HZ LYS 39 21.362 11.173 11.167 286 HA PRO 40 HA PRO 40 16.619 5.751 5.337 287 HB2 PRO 40 1HB PRO 40 18.294 6.672 3.410 288 HB3 PRO 40 2HB PRO 40 16.545 6.922 3.362 289 HG2 PRO 40 1HG PRO 40 18.704 8.800 4.242 290 HG3 PRO 40 2HG PRO 40 17.274 9.127 3.246 291 HD2 PRO 40 1HD PRO 40 17.386 9.741 5.881 292 HD3 PRO 40 2HD PRO 40 15.877 9.266 5.075 293 H SER 41 H SER 41 18.335 4.260 4.996 294 HA SER 41 HA SER 41 20.609 4.722 6.773 295 HB2 SER 41 1HB SER 41 19.395 2.241 5.566 296 HB3 SER 41 2HB SER 41 20.975 2.213 6.348 297 HG SER 41 HG SER 41 18.979 1.754 7.655 298 H GLY 42 H GLY 42 19.886 3.802 3.432 299 HA2 GLY 42 1HA GLY 42 22.291 5.003 2.473 300 HA3 GLY 42 2HA GLY 42 22.416 3.250 2.484 301 HA PRO 43 HA PRO 43 18.938 4.575 -0.655 302 HB2 PRO 43 1HB PRO 43 19.206 7.104 -1.605 303 HB3 PRO 43 2HB PRO 43 18.211 6.707 -0.200 304 HG2 PRO 43 1HG PRO 43 20.989 7.817 -0.300 305 HG3 PRO 43 2HG PRO 43 19.634 8.284 0.745 306 HD2 PRO 43 1HD PRO 43 21.643 6.679 1.594 307 HD3 PRO 43 2HD PRO 43 19.978 6.522 2.191 308 H SER 44 H SER 44 20.368 3.089 -1.743 309 HA SER 44 HA SER 44 22.218 4.355 -3.649 310 HB2 SER 44 1HB SER 44 22.106 1.566 -2.501 311 HB3 SER 44 2HB SER 44 23.088 1.964 -3.911 312 HG SER 44 HG SER 44 24.126 3.559 -2.591 313 H SER 45 H SER 45 19.641 1.943 -3.371 314 HA SER 45 HA SER 45 19.498 1.180 -6.051 315 HB2 SER 45 1HB SER 45 17.357 0.267 -5.545 316 HB3 SER 45 2HB SER 45 18.305 0.125 -4.065 317 HG SER 45 HG SER 45 16.976 1.442 -3.105 318 H GLY 46 H GLY 46 17.449 1.646 -7.421 319 HA2 GLY 46 1HA GLY 46 16.084 4.069 -7.300 320 HA3 GLY 46 2HA GLY 46 17.562 4.365 -8.204 Start of MODEL 11 1 H1 GLY 1 H GLY 1 5.211 -22.471 13.924 2 HA2 GLY 1 1HA GLY 1 3.900 -25.004 13.313 3 HA3 GLY 1 2HA GLY 1 3.343 -24.166 14.754 4 H SER 2 H SER 2 3.293 -21.569 14.038 5 HA SER 2 HA SER 2 0.902 -21.164 12.826 6 HB2 SER 2 1HB SER 2 1.616 -18.858 12.364 7 HB3 SER 2 2HB SER 2 2.173 -19.383 13.953 8 HG SER 2 HG SER 2 3.633 -18.900 11.617 9 H SER 3 H SER 3 0.141 -21.747 10.914 10 HA SER 3 HA SER 3 1.976 -21.790 8.612 11 HB2 SER 3 1HB SER 3 -0.555 -23.364 9.134 12 HB3 SER 3 2HB SER 3 0.316 -23.379 7.601 13 HG SER 3 HG SER 3 0.783 -24.860 9.723 14 H GLY 4 H GLY 4 0.852 -21.404 6.470 15 HA2 GLY 4 1HA GLY 4 -0.003 -18.860 6.161 16 HA3 GLY 4 2HA GLY 4 -0.524 -20.154 5.093 17 H SER 5 H SER 5 -1.474 -17.880 7.427 18 HA SER 5 HA SER 5 -3.906 -19.167 8.238 19 HB2 SER 5 1HB SER 5 -2.702 -17.462 9.623 20 HB3 SER 5 2HB SER 5 -3.183 -16.236 8.449 21 HG SER 5 HG SER 5 -4.710 -17.595 10.339 22 H SER 6 H SER 6 -5.585 -19.439 6.940 23 HA SER 6 HA SER 6 -5.963 -17.676 4.649 24 HB2 SER 6 1HB SER 6 -6.127 -20.024 4.156 25 HB3 SER 6 2HB SER 6 -7.286 -20.273 5.462 26 HG SER 6 HG SER 6 -7.712 -18.698 3.137 27 H GLY 7 H GLY 7 -7.073 -15.867 5.001 28 HA2 GLY 7 1HA GLY 7 -9.745 -15.723 5.590 29 HA3 GLY 7 2HA GLY 7 -8.950 -15.600 7.152 30 H THR 8 H THR 8 -8.139 -13.683 7.783 31 HA THR 8 HA THR 8 -8.597 -11.408 6.026 32 HB THR 8 HB THR 8 -7.655 -11.378 8.897 33 HG1 THR 8 HG1 THR 8 -10.063 -10.727 9.042 34 HG21 THR 8 3HG2 THR 8 -8.676 -9.083 8.823 35 HG22 THR 8 1HG2 THR 8 -8.825 -9.276 7.077 36 HG23 THR 8 2HG2 THR 8 -7.231 -9.281 7.832 37 H GLY 9 H GLY 9 -7.014 -10.843 4.681 38 HA2 GLY 9 1HA GLY 9 -4.516 -9.939 5.523 39 HA3 GLY 9 2HA GLY 9 -4.306 -11.602 4.996 40 H GLU 10 H GLU 10 -6.236 -11.563 2.901 41 HA GLU 10 HA GLU 10 -4.628 -10.446 0.827 42 HB2 GLU 10 1HB GLU 10 -7.395 -11.659 0.730 43 HB3 GLU 10 2HB GLU 10 -6.423 -11.258 -0.679 44 HG2 GLU 10 1HG GLU 10 -6.121 -13.548 -0.385 45 HG3 GLU 10 2HG GLU 10 -4.665 -12.819 0.290 46 H LYS 11 H LYS 11 -4.591 -8.210 1.355 47 HA LYS 11 HA LYS 11 -7.083 -6.791 0.675 48 HB2 LYS 11 1HB LYS 11 -4.860 -5.781 2.456 49 HB3 LYS 11 2HB LYS 11 -6.388 -4.975 2.124 50 HG2 LYS 11 1HG LYS 11 -6.477 -7.701 3.296 51 HG3 LYS 11 2HG LYS 11 -5.990 -6.358 4.334 52 HD2 LYS 11 1HD LYS 11 -8.247 -6.282 4.664 53 HD3 LYS 11 2HD LYS 11 -8.130 -5.231 3.250 54 HE2 LYS 11 1HE LYS 11 -8.391 -7.548 1.983 55 HE3 LYS 11 2HE LYS 11 -9.188 -7.997 3.490 56 HZ1 LYS 11 3HZ LYS 11 -10.960 -6.763 2.995 57 HZ2 LYS 11 1HZ LYS 11 -10.367 -6.729 1.411 58 HZ3 LYS 11 2HZ LYS 11 -10.034 -5.450 2.465 59 HA PRO 12 HA PRO 12 -4.945 -5.001 -2.727 60 HB2 PRO 12 1HB PRO 12 -6.388 -2.720 -3.020 61 HB3 PRO 12 2HB PRO 12 -7.006 -4.313 -3.475 62 HG2 PRO 12 1HG PRO 12 -7.520 -2.720 -0.993 63 HG3 PRO 12 2HG PRO 12 -8.661 -3.647 -1.984 64 HD2 PRO 12 1HD PRO 12 -7.639 -4.599 0.336 65 HD3 PRO 12 2HD PRO 12 -8.053 -5.655 -1.030 66 H TYR 13 H TYR 13 -4.987 -3.622 0.373 67 HA TYR 13 HA TYR 13 -2.968 -1.629 -0.428 68 HB2 TYR 13 1HB TYR 13 -4.789 -1.508 1.985 69 HB3 TYR 13 2HB TYR 13 -3.640 -0.275 1.477 70 HD1 TYR 13 HD1 TYR 13 -4.103 1.126 -0.479 71 HD2 TYR 13 HD2 TYR 13 -6.920 -1.757 0.884 72 HE1 TYR 13 HE1 TYR 13 -5.849 2.198 -1.839 73 HE2 TYR 13 HE2 TYR 13 -8.674 -0.694 -0.474 74 HH TYR 13 HH TYR 13 -8.742 0.761 -2.581 75 H LYS 14 H LYS 14 -1.034 -2.478 -0.002 76 HA LYS 14 HA LYS 14 -0.545 -3.503 2.703 77 HB2 LYS 14 1HB LYS 14 -0.654 -5.540 1.581 78 HB3 LYS 14 2HB LYS 14 0.036 -4.879 0.105 79 HG2 LYS 14 1HG LYS 14 2.208 -4.650 1.332 80 HG3 LYS 14 2HG LYS 14 1.471 -5.549 2.661 81 HD2 LYS 14 1HD LYS 14 1.311 -7.505 1.413 82 HD3 LYS 14 2HD LYS 14 1.436 -6.649 -0.126 83 HE2 LYS 14 1HE LYS 14 3.801 -6.030 0.619 84 HE3 LYS 14 2HE LYS 14 3.605 -7.266 1.860 85 HZ1 LYS 14 3HZ LYS 14 3.187 -8.892 0.117 86 HZ2 LYS 14 1HZ LYS 14 4.696 -8.158 -0.094 87 HZ3 LYS 14 2HZ LYS 14 3.392 -7.704 -1.070 88 H CYS 15 H CYS 15 1.358 -2.879 3.595 89 HA CYS 15 HA CYS 15 2.798 -0.760 2.330 90 HB2 CYS 15 1HB CYS 15 2.396 -0.875 4.782 91 HB3 CYS 15 2HB CYS 15 3.476 -2.263 4.866 92 H ASN 16 H ASN 16 4.971 -0.715 1.697 93 HA ASN 16 HA ASN 16 6.047 -3.348 0.954 94 HB2 ASN 16 1HB ASN 16 6.740 -0.647 -0.220 95 HB3 ASN 16 2HB ASN 16 7.253 -2.219 -0.824 96 HD21 ASN 16 1HD2 ASN 16 6.220 -0.989 -2.734 97 HD22 ASN 16 2HD2 ASN 16 4.558 -1.356 -3.031 98 H GLU 17 H GLU 17 6.728 -0.391 2.662 99 HA GLU 17 HA GLU 17 9.513 -0.672 2.942 100 HB2 GLU 17 1HB GLU 17 7.442 0.715 4.639 101 HB3 GLU 17 2HB GLU 17 9.161 0.779 5.003 102 HG2 GLU 17 1HG GLU 17 8.460 2.758 3.799 103 HG3 GLU 17 2HG GLU 17 9.591 1.809 2.836 104 H CYS 18 H CYS 18 6.831 -1.733 5.012 105 HA CYS 18 HA CYS 18 8.738 -3.442 6.470 106 HB2 CYS 18 1HB CYS 18 7.226 -3.346 8.378 107 HB3 CYS 18 2HB CYS 18 7.665 -1.717 7.875 108 H GLY 19 H GLY 19 5.494 -3.267 5.066 109 HA2 GLY 19 1HA GLY 19 4.912 -5.271 3.697 110 HA3 GLY 19 2HA GLY 19 5.433 -6.222 5.080 111 H LYS 20 H LYS 20 4.224 -4.370 7.009 112 HA LYS 20 HA LYS 20 1.908 -5.557 7.654 113 HB2 LYS 20 1HB LYS 20 2.871 -2.763 7.998 114 HB3 LYS 20 2HB LYS 20 1.185 -3.087 8.377 115 HG2 LYS 20 1HG LYS 20 1.711 -4.491 10.134 116 HG3 LYS 20 2HG LYS 20 3.333 -4.819 9.520 117 HD2 LYS 20 1HD LYS 20 4.099 -2.658 10.159 118 HD3 LYS 20 2HD LYS 20 2.457 -2.112 10.511 119 HE2 LYS 20 1HE LYS 20 3.443 -2.558 12.604 120 HE3 LYS 20 2HE LYS 20 2.383 -3.928 12.277 121 HZ1 LYS 20 3HZ LYS 20 5.331 -3.814 12.162 122 HZ2 LYS 20 1HZ LYS 20 4.474 -5.019 11.340 123 HZ3 LYS 20 2HZ LYS 20 4.346 -4.888 13.022 124 H VAL 21 H VAL 21 -0.197 -5.596 7.044 125 HA VAL 21 HA VAL 21 -0.872 -4.155 4.570 126 HB VAL 21 HB VAL 21 -2.257 -6.571 5.740 127 HG11 VAL 21 1HG1 VAL 21 -3.672 -5.187 4.303 128 HG12 VAL 21 2HG1 VAL 21 -2.466 -5.286 3.018 129 HG13 VAL 21 3HG1 VAL 21 -3.314 -6.740 3.549 130 HG21 VAL 21 3HG2 VAL 21 -0.192 -7.430 5.136 131 HG22 VAL 21 1HG2 VAL 21 -1.137 -7.657 3.665 132 HG23 VAL 21 2HG2 VAL 21 -0.005 -6.310 3.787 133 H PHE 22 H PHE 22 -3.003 -3.269 4.338 134 HA PHE 22 HA PHE 22 -4.438 -2.770 6.848 135 HB2 PHE 22 1HB PHE 22 -3.661 -0.631 4.853 136 HB3 PHE 22 2HB PHE 22 -4.687 -0.388 6.263 137 HD1 PHE 22 HD1 PHE 22 -1.298 -1.650 5.364 138 HD2 PHE 22 HD2 PHE 22 -3.729 0.379 8.208 139 HE1 PHE 22 HE1 PHE 22 0.696 -1.176 6.725 140 HE2 PHE 22 HE2 PHE 22 -1.739 0.857 9.573 141 HZ PHE 22 HZ PHE 22 0.477 0.081 8.832 142 H ARG 23 H ARG 23 -6.649 -2.084 6.558 143 HA ARG 23 HA ARG 23 -7.913 -3.449 4.378 144 HB2 ARG 23 1HB ARG 23 -9.062 -1.723 6.578 145 HB3 ARG 23 2HB ARG 23 -10.020 -2.654 5.434 146 HG2 ARG 23 1HG ARG 23 -9.991 -4.116 7.167 147 HG3 ARG 23 2HG ARG 23 -8.518 -4.632 6.344 148 HD2 ARG 23 1HD ARG 23 -7.137 -3.595 7.896 149 HD3 ARG 23 2HD ARG 23 -8.411 -2.510 8.450 150 HE ARG 23 HE ARG 23 -8.858 -5.319 8.981 151 HH11 ARG 23 1HH1 ARG 23 -7.606 -2.291 10.157 152 HH12 ARG 23 2HH1 ARG 23 -7.706 -2.748 11.825 153 HH21 ARG 23 1HH2 ARG 23 -8.995 -5.932 11.174 154 HH22 ARG 23 2HH2 ARG 23 -8.495 -4.820 12.403 155 H HIS 24 H HIS 24 -7.658 -0.053 5.393 156 HA HIS 24 HA HIS 24 -8.488 0.726 2.674 157 HB2 HIS 24 1HB HIS 24 -9.963 1.319 4.774 158 HB3 HIS 24 2HB HIS 24 -8.772 2.598 4.992 159 HD1 HIS 24 HD1 HIS 24 -9.274 4.704 3.799 160 HD2 HIS 24 HD2 HIS 24 -11.156 1.444 2.040 161 HE1 HIS 24 HE1 HIS 24 -10.689 5.660 1.953 162 H ASN 25 H ASN 25 -7.458 2.558 1.747 163 HA ASN 25 HA ASN 25 -4.676 2.685 2.239 164 HB2 ASN 25 1HB ASN 25 -5.160 3.165 0.037 165 HB3 ASN 25 2HB ASN 25 -6.587 4.113 0.445 166 HD21 ASN 25 1HD2 ASN 25 -6.276 6.070 -0.338 167 HD22 ASN 25 2HD2 ASN 25 -4.856 7.032 -0.124 168 H SER 26 H SER 26 -7.336 4.923 2.939 169 HA SER 26 HA SER 26 -6.131 7.153 3.823 170 HB2 SER 26 1HB SER 26 -8.375 5.669 5.207 171 HB3 SER 26 2HB SER 26 -7.917 7.332 5.575 172 HG SER 26 HG SER 26 -9.663 6.792 3.899 173 H TYR 27 H TYR 27 -6.647 4.319 5.927 174 HA TYR 27 HA TYR 27 -5.153 5.303 8.095 175 HB2 TYR 27 1HB TYR 27 -5.752 2.442 7.318 176 HB3 TYR 27 2HB TYR 27 -5.134 2.955 8.884 177 HD1 TYR 27 HD2 TYR 27 -6.735 5.319 9.477 178 HD2 TYR 27 HD1 TYR 27 -7.898 1.640 7.684 179 HE1 TYR 27 HE2 TYR 27 -9.036 5.664 10.276 180 HE2 TYR 27 HE1 TYR 27 -10.202 1.975 8.477 181 HH TYR 27 HH TYR 27 -11.095 4.850 10.367 182 H LEU 28 H LEU 28 -4.254 2.945 5.579 183 HA LEU 28 HA LEU 28 -1.707 2.327 6.279 184 HB2 LEU 28 1HB LEU 28 -2.659 1.336 4.348 185 HB3 LEU 28 2HB LEU 28 -2.844 2.899 3.555 186 HG LEU 28 HG LEU 28 -0.314 3.020 3.502 187 HD11 LEU 28 1HD1 LEU 28 -0.352 0.054 3.834 188 HD12 LEU 28 2HD1 LEU 28 -0.213 1.096 5.250 189 HD13 LEU 28 3HD1 LEU 28 0.995 1.184 3.969 190 HD21 LEU 28 3HD2 LEU 28 -1.648 2.512 1.528 191 HD22 LEU 28 1HD2 LEU 28 -1.682 0.806 1.976 192 HD23 LEU 28 2HD2 LEU 28 -0.155 1.571 1.535 193 H SER 29 H SER 29 -2.717 5.246 4.530 194 HA SER 29 HA SER 29 -0.228 6.363 4.046 195 HB2 SER 29 1HB SER 29 -2.287 7.295 3.114 196 HB3 SER 29 2HB SER 29 -2.816 7.785 4.724 197 HG SER 29 HG SER 29 -1.880 9.545 3.705 198 H ARG 30 H ARG 30 -2.269 6.636 6.932 199 HA ARG 30 HA ARG 30 -0.641 8.441 8.342 200 HB2 ARG 30 1HB ARG 30 -2.393 6.303 9.558 201 HB3 ARG 30 2HB ARG 30 -1.898 7.821 10.295 202 HG2 ARG 30 1HG ARG 30 -3.461 7.866 7.756 203 HG3 ARG 30 2HG ARG 30 -4.284 7.560 9.287 204 HD2 ARG 30 1HD ARG 30 -2.546 9.948 8.673 205 HD3 ARG 30 2HD ARG 30 -4.309 9.940 8.683 206 HE ARG 30 HE ARG 30 -3.051 9.089 11.147 207 HH11 ARG 30 1HH1 ARG 30 -4.402 11.727 9.321 208 HH12 ARG 30 2HH1 ARG 30 -4.712 12.706 10.716 209 HH21 ARG 30 1HH2 ARG 30 -3.455 10.368 12.992 210 HH22 ARG 30 2HH2 ARG 30 -4.173 11.932 12.804 211 H HIS 31 H HIS 31 -0.445 4.998 7.870 212 HA HIS 31 HA HIS 31 1.461 4.572 9.989 213 HB2 HIS 31 1HB HIS 31 0.228 2.649 9.599 214 HB3 HIS 31 2HB HIS 31 0.232 2.875 7.853 215 HD1 HIS 31 HD1 HIS 31 2.654 1.920 10.619 216 HD2 HIS 31 HD2 HIS 31 2.061 1.352 6.546 217 HE1 HIS 31 HE1 HIS 31 4.418 0.275 9.905 218 H GLN 32 H GLN 32 1.635 4.323 6.432 219 HA GLN 32 HA GLN 32 4.260 3.856 6.025 220 HB2 GLN 32 1HB GLN 32 2.447 5.761 4.552 221 HB3 GLN 32 2HB GLN 32 4.071 5.383 3.993 222 HG2 GLN 32 1HG GLN 32 2.143 3.178 4.557 223 HG3 GLN 32 2HG GLN 32 2.033 4.085 3.050 224 HE21 GLN 32 1HE2 GLN 32 2.484 1.512 2.768 225 HE22 GLN 32 2HE2 GLN 32 4.128 1.183 2.349 226 H ARG 33 H ARG 33 2.897 6.734 7.378 227 HA ARG 33 HA ARG 33 4.801 8.654 6.927 228 HB2 ARG 33 1HB ARG 33 3.379 8.123 9.543 229 HB3 ARG 33 2HB ARG 33 4.153 9.635 9.084 230 HG2 ARG 33 1HG ARG 33 2.504 9.423 7.023 231 HG3 ARG 33 2HG ARG 33 1.584 8.465 8.185 232 HD2 ARG 33 1HD ARG 33 0.750 10.570 8.584 233 HD3 ARG 33 2HD ARG 33 2.049 10.486 9.774 234 HE ARG 33 HE ARG 33 3.211 12.087 8.591 235 HH11 ARG 33 1HH1 ARG 33 0.476 10.986 6.740 236 HH12 ARG 33 2HH1 ARG 33 0.606 12.242 5.554 237 HH21 ARG 33 1HH2 ARG 33 3.393 13.747 7.036 238 HH22 ARG 33 2HH2 ARG 33 2.267 13.812 5.723 239 H ILE 34 H ILE 34 4.816 6.270 9.575 240 HA ILE 34 HA ILE 34 7.139 6.952 10.850 241 HB ILE 34 HB ILE 34 7.342 4.668 11.598 242 HG12 ILE 34 1HG1 ILE 34 5.167 3.729 9.781 243 HG13 ILE 34 2HG1 ILE 34 6.797 3.860 9.129 244 HG21 ILE 34 1HG2 ILE 34 5.644 5.426 12.864 245 HG22 ILE 34 2HG2 ILE 34 4.726 6.000 11.473 246 HG23 ILE 34 3HG2 ILE 34 4.681 4.293 11.916 247 HD11 ILE 34 3HD1 ILE 34 7.598 2.163 10.427 248 HD12 ILE 34 1HD1 ILE 34 6.401 2.418 11.696 249 HD13 ILE 34 2HD1 ILE 34 5.935 1.630 10.188 250 H HIS 35 H HIS 35 6.782 5.551 7.706 251 HA HIS 35 HA HIS 35 9.570 4.766 7.522 252 HB2 HIS 35 1HB HIS 35 7.349 4.744 5.469 253 HB3 HIS 35 2HB HIS 35 8.971 4.117 5.196 254 HD1 HIS 35 HD1 HIS 35 9.458 2.474 7.675 255 HD2 HIS 35 HD2 HIS 35 5.812 2.530 5.686 256 HE1 HIS 35 HE1 HIS 35 8.312 0.330 8.314 257 H THR 36 H THR 36 7.419 7.068 5.856 258 HA THR 36 HA THR 36 9.616 8.375 4.544 259 HB THR 36 HB THR 36 7.903 10.009 3.787 260 HG1 THR 36 HG1 THR 36 5.734 9.622 4.369 261 HG21 THR 36 3HG2 THR 36 6.680 8.480 2.363 262 HG22 THR 36 1HG2 THR 36 7.040 7.135 3.444 263 HG23 THR 36 2HG2 THR 36 8.340 7.912 2.541 264 H GLY 37 H GLY 37 10.929 9.006 6.329 265 HA2 GLY 37 1HA GLY 37 10.403 11.653 7.240 266 HA3 GLY 37 2HA GLY 37 10.170 10.489 8.535 267 H GLU 38 H GLU 38 12.083 8.792 8.556 268 HA GLU 38 HA GLU 38 14.625 10.207 8.160 269 HB2 GLU 38 1HB GLU 38 13.696 10.307 10.569 270 HB3 GLU 38 2HB GLU 38 14.111 8.601 10.649 271 HG2 GLU 38 1HG GLU 38 15.848 10.049 11.597 272 HG3 GLU 38 2HG GLU 38 16.428 9.094 10.234 273 H LYS 39 H LYS 39 14.935 8.839 6.348 274 HA LYS 39 HA LYS 39 15.047 5.972 6.753 275 HB2 LYS 39 1HB LYS 39 14.267 7.170 4.619 276 HB3 LYS 39 2HB LYS 39 15.973 7.454 4.300 277 HG2 LYS 39 1HG LYS 39 16.378 5.043 4.322 278 HG3 LYS 39 2HG LYS 39 14.663 4.762 4.635 279 HD2 LYS 39 1HD LYS 39 15.673 6.265 2.228 280 HD3 LYS 39 2HD LYS 39 15.396 4.521 2.231 281 HE2 LYS 39 1HE LYS 39 13.303 6.577 2.925 282 HE3 LYS 39 2HE LYS 39 13.498 5.863 1.325 283 HZ1 LYS 39 3HZ LYS 39 12.216 4.206 1.997 284 HZ2 LYS 39 1HZ LYS 39 12.149 4.819 3.573 285 HZ3 LYS 39 2HZ LYS 39 13.392 3.762 3.130 286 HA PRO 40 HA PRO 40 19.309 5.836 7.878 287 HB2 PRO 40 1HB PRO 40 19.793 3.232 7.281 288 HB3 PRO 40 2HB PRO 40 18.863 3.736 8.697 289 HG2 PRO 40 1HG PRO 40 17.888 2.763 6.039 290 HG3 PRO 40 2HG PRO 40 17.308 2.350 7.663 291 HD2 PRO 40 1HD PRO 40 16.041 4.140 6.075 292 HD3 PRO 40 2HD PRO 40 16.061 4.280 7.845 293 H SER 41 H SER 41 21.394 5.675 6.963 294 HA SER 41 HA SER 41 22.824 6.301 5.267 295 HB2 SER 41 1HB SER 41 23.158 4.454 3.644 296 HB3 SER 41 2HB SER 41 23.031 3.872 5.304 297 HG SER 41 HG SER 41 21.353 2.761 4.729 298 H GLY 42 H GLY 42 20.599 7.830 4.981 299 HA2 GLY 42 1HA GLY 42 20.627 8.366 2.160 300 HA3 GLY 42 2HA GLY 42 19.079 7.745 2.712 301 HA PRO 43 HA PRO 43 19.816 12.413 3.667 302 HB2 PRO 43 1HB PRO 43 18.967 13.577 1.366 303 HB3 PRO 43 2HB PRO 43 20.660 13.168 1.668 304 HG2 PRO 43 1HG PRO 43 18.604 11.675 0.086 305 HG3 PRO 43 2HG PRO 43 20.305 11.990 -0.305 306 HD2 PRO 43 1HD PRO 43 19.454 9.620 0.690 307 HD3 PRO 43 2HD PRO 43 21.063 10.283 1.045 308 H SER 44 H SER 44 18.058 12.005 5.061 309 HA SER 44 HA SER 44 15.378 11.832 3.991 310 HB2 SER 44 1HB SER 44 14.667 11.609 6.296 311 HB3 SER 44 2HB SER 44 16.084 10.591 6.042 312 HG SER 44 HG SER 44 17.278 11.914 7.249 313 H SER 45 H SER 45 17.274 14.172 5.868 314 HA SER 45 HA SER 45 16.018 16.407 4.678 315 HB2 SER 45 1HB SER 45 14.163 15.618 6.178 316 HB3 SER 45 2HB SER 45 15.218 15.928 7.556 317 HG SER 45 HG SER 45 14.792 17.964 5.677 318 H GLY 46 H GLY 46 16.804 18.452 5.548 319 HA2 GLY 46 1HA GLY 46 19.534 18.214 6.414 320 HA3 GLY 46 2HA GLY 46 18.675 19.707 6.070 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.414 -14.547 15.532 2 HA2 GLY 1 1HA GLY 1 13.017 -16.494 17.142 3 HA3 GLY 1 2HA GLY 1 12.216 -14.932 17.070 4 H SER 2 H SER 2 10.442 -15.504 15.899 5 HA SER 2 HA SER 2 10.824 -15.848 13.066 6 HB2 SER 2 1HB SER 2 9.720 -17.944 12.801 7 HB3 SER 2 2HB SER 2 10.945 -18.190 14.045 8 HG SER 2 HG SER 2 8.987 -17.536 15.464 9 H SER 3 H SER 3 8.859 -15.581 11.856 10 HA SER 3 HA SER 3 6.387 -15.000 13.173 11 HB2 SER 3 1HB SER 3 6.256 -12.657 12.850 12 HB3 SER 3 2HB SER 3 7.842 -12.930 13.572 13 HG SER 3 HG SER 3 8.405 -13.084 11.126 14 H GLY 4 H GLY 4 4.663 -14.581 11.696 15 HA2 GLY 4 1HA GLY 4 4.422 -14.046 9.149 16 HA3 GLY 4 2HA GLY 4 5.265 -15.581 9.005 17 H SER 5 H SER 5 2.349 -14.315 8.679 18 HA SER 5 HA SER 5 0.983 -16.710 9.721 19 HB2 SER 5 1HB SER 5 0.238 -14.765 10.962 20 HB3 SER 5 2HB SER 5 -0.084 -13.889 9.466 21 HG SER 5 HG SER 5 -1.347 -16.350 9.835 22 H SER 6 H SER 6 -0.459 -17.755 8.395 23 HA SER 6 HA SER 6 -0.429 -16.900 5.579 24 HB2 SER 6 1HB SER 6 -1.017 -19.667 6.651 25 HB3 SER 6 2HB SER 6 -0.742 -19.212 4.970 26 HG SER 6 HG SER 6 1.380 -18.912 5.384 27 H GLY 7 H GLY 7 -2.511 -18.193 8.137 28 HA2 GLY 7 1HA GLY 7 -4.908 -18.499 6.891 29 HA3 GLY 7 2HA GLY 7 -4.760 -17.833 8.511 30 H THR 8 H THR 8 -4.042 -15.416 8.461 31 HA THR 8 HA THR 8 -6.026 -13.793 7.735 32 HB THR 8 HB THR 8 -3.971 -13.031 8.901 33 HG1 THR 8 HG1 THR 8 -5.172 -11.603 6.806 34 HG21 THR 8 3HG2 THR 8 -2.847 -13.135 6.112 35 HG22 THR 8 1HG2 THR 8 -2.200 -13.862 7.582 36 HG23 THR 8 2HG2 THR 8 -2.150 -12.112 7.368 37 H GLY 9 H GLY 9 -6.666 -12.522 5.974 38 HA2 GLY 9 1HA GLY 9 -6.059 -13.711 3.392 39 HA3 GLY 9 2HA GLY 9 -7.311 -12.525 3.727 40 H GLU 10 H GLU 10 -6.279 -11.812 1.575 41 HA GLU 10 HA GLU 10 -4.048 -9.977 2.158 42 HB2 GLU 10 1HB GLU 10 -3.355 -10.149 -0.128 43 HB3 GLU 10 2HB GLU 10 -3.565 -11.781 0.491 44 HG2 GLU 10 1HG GLU 10 -4.607 -12.010 -1.506 45 HG3 GLU 10 2HG GLU 10 -5.978 -11.480 -0.532 46 H LYS 11 H LYS 11 -4.309 -7.850 1.781 47 HA LYS 11 HA LYS 11 -6.912 -6.991 0.708 48 HB2 LYS 11 1HB LYS 11 -5.109 -5.901 2.823 49 HB3 LYS 11 2HB LYS 11 -6.107 -4.775 1.913 50 HG2 LYS 11 1HG LYS 11 -7.321 -5.318 3.855 51 HG3 LYS 11 2HG LYS 11 -8.085 -6.206 2.535 52 HD2 LYS 11 1HD LYS 11 -7.907 -7.695 4.389 53 HD3 LYS 11 2HD LYS 11 -6.706 -8.194 3.195 54 HE2 LYS 11 1HE LYS 11 -4.932 -7.381 4.459 55 HE3 LYS 11 2HE LYS 11 -5.968 -6.312 5.404 56 HZ1 LYS 11 3HZ LYS 11 -5.472 -8.041 6.848 57 HZ2 LYS 11 1HZ LYS 11 -5.619 -9.232 5.655 58 HZ3 LYS 11 2HZ LYS 11 -7.000 -8.468 6.263 59 HA PRO 12 HA PRO 12 -5.045 -4.939 -2.692 60 HB2 PRO 12 1HB PRO 12 -6.583 -2.712 -2.916 61 HB3 PRO 12 2HB PRO 12 -7.160 -4.326 -3.348 62 HG2 PRO 12 1HG PRO 12 -7.625 -2.757 -0.842 63 HG3 PRO 12 2HG PRO 12 -8.774 -3.724 -1.786 64 HD2 PRO 12 1HD PRO 12 -7.618 -4.641 0.484 65 HD3 PRO 12 2HD PRO 12 -8.052 -5.710 -0.865 66 H TYR 13 H TYR 13 -4.892 -3.667 0.413 67 HA TYR 13 HA TYR 13 -2.972 -1.613 -0.463 68 HB2 TYR 13 1HB TYR 13 -4.827 -1.427 1.920 69 HB3 TYR 13 2HB TYR 13 -3.644 -0.218 1.432 70 HD1 TYR 13 HD1 TYR 13 -4.004 1.106 -0.624 71 HD2 TYR 13 HD2 TYR 13 -6.950 -1.596 0.831 72 HE1 TYR 13 HE1 TYR 13 -5.691 2.189 -2.049 73 HE2 TYR 13 HE2 TYR 13 -8.646 -0.522 -0.590 74 HH TYR 13 HH TYR 13 -8.624 2.227 -1.720 75 H LYS 14 H LYS 14 -0.995 -2.201 0.104 76 HA LYS 14 HA LYS 14 -0.545 -3.278 2.789 77 HB2 LYS 14 1HB LYS 14 -0.586 -5.264 1.469 78 HB3 LYS 14 2HB LYS 14 0.394 -4.526 0.209 79 HG2 LYS 14 1HG LYS 14 2.215 -4.341 2.004 80 HG3 LYS 14 2HG LYS 14 1.235 -5.493 2.915 81 HD2 LYS 14 1HD LYS 14 1.274 -6.903 0.761 82 HD3 LYS 14 2HD LYS 14 2.617 -5.864 0.278 83 HE2 LYS 14 1HE LYS 14 3.831 -6.487 2.303 84 HE3 LYS 14 2HE LYS 14 2.484 -7.508 2.805 85 HZ1 LYS 14 3HZ LYS 14 4.489 -7.964 0.732 86 HZ2 LYS 14 1HZ LYS 14 2.928 -8.543 0.436 87 HZ3 LYS 14 2HZ LYS 14 3.775 -9.059 1.805 88 H CYS 15 H CYS 15 1.431 -2.749 3.697 89 HA CYS 15 HA CYS 15 2.761 -0.480 2.500 90 HB2 CYS 15 1HB CYS 15 2.190 -0.726 4.975 91 HB3 CYS 15 2HB CYS 15 3.527 -1.869 5.067 92 H ASN 16 H ASN 16 4.493 -0.599 1.246 93 HA ASN 16 HA ASN 16 5.927 -3.118 1.009 94 HB2 ASN 16 1HB ASN 16 5.127 -1.536 -0.927 95 HB3 ASN 16 2HB ASN 16 6.616 -0.666 -0.570 96 HD21 ASN 16 1HD2 ASN 16 8.058 -1.166 -2.049 97 HD22 ASN 16 2HD2 ASN 16 8.412 -2.755 -2.629 98 H GLU 17 H GLU 17 6.150 -0.751 3.131 99 HA GLU 17 HA GLU 17 9.041 -0.361 3.014 100 HB2 GLU 17 1HB GLU 17 6.877 0.835 4.741 101 HB3 GLU 17 2HB GLU 17 8.587 1.115 5.035 102 HG2 GLU 17 1HG GLU 17 7.612 2.950 3.793 103 HG3 GLU 17 2HG GLU 17 8.816 2.106 2.820 104 H CYS 18 H CYS 18 6.598 -2.052 4.841 105 HA CYS 18 HA CYS 18 8.733 -3.345 6.399 106 HB2 CYS 18 1HB CYS 18 7.122 -3.477 8.316 107 HB3 CYS 18 2HB CYS 18 7.658 -1.844 7.934 108 H GLY 19 H GLY 19 5.331 -3.575 5.373 109 HA2 GLY 19 1HA GLY 19 5.025 -5.690 3.955 110 HA3 GLY 19 2HA GLY 19 5.604 -6.510 5.398 111 H LYS 20 H LYS 20 4.071 -4.242 6.888 112 HA LYS 20 HA LYS 20 1.855 -5.744 7.637 113 HB2 LYS 20 1HB LYS 20 2.445 -2.797 7.839 114 HB3 LYS 20 2HB LYS 20 0.967 -3.494 8.488 115 HG2 LYS 20 1HG LYS 20 2.139 -4.773 10.072 116 HG3 LYS 20 2HG LYS 20 3.684 -4.506 9.262 117 HD2 LYS 20 1HD LYS 20 3.775 -2.255 9.959 118 HD3 LYS 20 2HD LYS 20 2.074 -2.250 10.429 119 HE2 LYS 20 1HE LYS 20 2.607 -3.883 12.210 120 HE3 LYS 20 2HE LYS 20 4.310 -3.770 11.768 121 HZ1 LYS 20 3HZ LYS 20 3.848 -1.232 12.140 122 HZ2 LYS 20 1HZ LYS 20 4.217 -2.250 13.440 123 HZ3 LYS 20 2HZ LYS 20 2.611 -1.816 13.134 124 H VAL 21 H VAL 21 -0.417 -5.372 7.284 125 HA VAL 21 HA VAL 21 -1.034 -4.115 4.693 126 HB VAL 21 HB VAL 21 -2.299 -6.668 5.690 127 HG11 VAL 21 1HG1 VAL 21 -2.437 -5.275 3.017 128 HG12 VAL 21 2HG1 VAL 21 -3.215 -6.804 3.430 129 HG13 VAL 21 3HG1 VAL 21 -3.717 -5.314 4.230 130 HG21 VAL 21 3HG2 VAL 21 -0.895 -7.924 4.345 131 HG22 VAL 21 1HG2 VAL 21 -0.431 -6.537 3.359 132 HG23 VAL 21 2HG2 VAL 21 0.206 -6.709 4.994 133 H PHE 22 H PHE 22 -3.164 -3.292 4.463 134 HA PHE 22 HA PHE 22 -4.741 -3.093 6.928 135 HB2 PHE 22 1HB PHE 22 -4.105 -0.718 5.169 136 HB3 PHE 22 2HB PHE 22 -5.033 -0.706 6.666 137 HD1 PHE 22 HD1 PHE 22 -1.660 -1.653 5.392 138 HD2 PHE 22 HD2 PHE 22 -3.972 -0.107 8.614 139 HE1 PHE 22 HE1 PHE 22 0.404 -1.220 6.661 140 HE2 PHE 22 HE2 PHE 22 -1.912 0.330 9.887 141 HZ PHE 22 HZ PHE 22 0.279 -0.227 8.911 142 H ARG 23 H ARG 23 -6.905 -1.932 6.394 143 HA ARG 23 HA ARG 23 -7.905 -3.054 3.860 144 HB2 ARG 23 1HB ARG 23 -8.727 -3.951 6.163 145 HB3 ARG 23 2HB ARG 23 -9.666 -2.465 6.217 146 HG2 ARG 23 1HG ARG 23 -10.434 -3.235 3.831 147 HG3 ARG 23 2HG ARG 23 -9.945 -4.822 4.427 148 HD2 ARG 23 1HD ARG 23 -11.806 -2.998 5.932 149 HD3 ARG 23 2HD ARG 23 -12.369 -4.204 4.775 150 HE ARG 23 HE ARG 23 -10.657 -5.379 6.704 151 HH11 ARG 23 1HH1 ARG 23 -13.882 -4.144 6.270 152 HH12 ARG 23 2HH1 ARG 23 -14.575 -5.156 7.494 153 HH21 ARG 23 1HH2 ARG 23 -11.556 -6.717 8.317 154 HH22 ARG 23 2HH2 ARG 23 -13.251 -6.619 8.658 155 H HIS 24 H HIS 24 -6.739 -0.396 4.283 156 HA HIS 24 HA HIS 24 -8.651 1.131 2.857 157 HB2 HIS 24 1HB HIS 24 -9.349 1.173 5.413 158 HB3 HIS 24 2HB HIS 24 -8.090 2.402 5.501 159 HD1 HIS 24 HD1 HIS 24 -8.797 4.710 4.932 160 HD2 HIS 24 HD2 HIS 24 -11.407 1.862 3.403 161 HE1 HIS 24 HE1 HIS 24 -10.699 6.012 3.926 162 H ASN 25 H ASN 25 -7.859 3.315 2.353 163 HA ASN 25 HA ASN 25 -4.980 3.282 2.062 164 HB2 ASN 25 1HB ASN 25 -6.549 3.938 0.207 165 HB3 ASN 25 2HB ASN 25 -6.926 5.396 1.121 166 HD21 ASN 25 1HD2 ASN 25 -5.917 5.555 -1.409 167 HD22 ASN 25 2HD2 ASN 25 -4.306 6.178 -1.357 168 H SER 26 H SER 26 -7.420 5.084 3.824 169 HA SER 26 HA SER 26 -5.788 7.216 4.682 170 HB2 SER 26 1HB SER 26 -8.308 7.124 4.798 171 HB3 SER 26 2HB SER 26 -8.138 6.053 6.189 172 HG SER 26 HG SER 26 -8.283 8.550 6.387 173 H TYR 27 H TYR 27 -6.136 3.940 5.769 174 HA TYR 27 HA TYR 27 -4.748 4.433 8.271 175 HB2 TYR 27 1HB TYR 27 -5.474 1.745 7.110 176 HB3 TYR 27 2HB TYR 27 -5.172 2.152 8.796 177 HD1 TYR 27 HD2 TYR 27 -6.838 4.717 8.828 178 HD2 TYR 27 HD1 TYR 27 -7.641 0.803 7.367 179 HE1 TYR 27 HE2 TYR 27 -9.244 5.089 9.171 180 HE2 TYR 27 HE1 TYR 27 -10.051 1.165 7.705 181 HH TYR 27 HH TYR 27 -11.292 3.678 9.540 182 H LEU 28 H LEU 28 -4.079 3.255 5.065 183 HA LEU 28 HA LEU 28 -1.545 2.080 5.716 184 HB2 LEU 28 1HB LEU 28 -2.659 1.201 3.829 185 HB3 LEU 28 2HB LEU 28 -2.901 2.802 3.134 186 HG LEU 28 HG LEU 28 -0.498 2.959 2.674 187 HD11 LEU 28 1HD1 LEU 28 0.960 1.056 2.977 188 HD12 LEU 28 2HD1 LEU 28 -0.360 0.121 3.679 189 HD13 LEU 28 3HD1 LEU 28 0.268 1.533 4.528 190 HD21 LEU 28 3HD2 LEU 28 -0.477 1.534 0.803 191 HD22 LEU 28 1HD2 LEU 28 -2.178 1.909 1.082 192 HD23 LEU 28 2HD2 LEU 28 -1.525 0.351 1.589 193 H SER 29 H SER 29 -2.579 5.089 4.131 194 HA SER 29 HA SER 29 -0.007 6.114 3.656 195 HB2 SER 29 1HB SER 29 -2.386 6.904 2.835 196 HB3 SER 29 2HB SER 29 -2.293 7.956 4.248 197 HG SER 29 HG SER 29 -0.235 7.799 2.309 198 H ARG 30 H ARG 30 -2.262 6.660 6.349 199 HA ARG 30 HA ARG 30 -0.705 8.476 7.788 200 HB2 ARG 30 1HB ARG 30 -2.116 8.026 9.645 201 HB3 ARG 30 2HB ARG 30 -3.118 7.853 8.210 202 HG2 ARG 30 1HG ARG 30 -3.008 5.462 8.349 203 HG3 ARG 30 2HG ARG 30 -1.842 5.552 9.670 204 HD2 ARG 30 1HD ARG 30 -4.484 6.901 9.968 205 HD3 ARG 30 2HD ARG 30 -4.393 5.149 10.145 206 HE ARG 30 HE ARG 30 -3.563 7.078 12.039 207 HH11 ARG 30 1HH1 ARG 30 -2.673 3.988 10.707 208 HH12 ARG 30 2HH1 ARG 30 -1.850 3.462 12.138 209 HH21 ARG 30 1HH2 ARG 30 -2.483 6.397 13.929 210 HH22 ARG 30 2HH2 ARG 30 -1.743 4.833 13.971 211 H HIS 31 H HIS 31 -0.388 5.060 7.384 212 HA HIS 31 HA HIS 31 1.334 4.707 9.682 213 HB2 HIS 31 1HB HIS 31 0.052 2.796 9.190 214 HB3 HIS 31 2HB HIS 31 0.393 2.903 7.465 215 HD1 HIS 31 HD1 HIS 31 1.970 1.844 10.713 216 HD2 HIS 31 HD2 HIS 31 2.681 1.599 6.627 217 HE1 HIS 31 HE1 HIS 31 3.886 0.234 10.459 218 H GLN 32 H GLN 32 1.752 4.407 6.151 219 HA GLN 32 HA GLN 32 4.380 3.917 5.895 220 HB2 GLN 32 1HB GLN 32 2.661 5.847 4.355 221 HB3 GLN 32 2HB GLN 32 4.335 5.548 3.906 222 HG2 GLN 32 1HG GLN 32 3.817 3.158 3.656 223 HG3 GLN 32 2HG GLN 32 2.132 3.502 4.041 224 HE21 GLN 32 1HE2 GLN 32 4.011 2.763 1.579 225 HE22 GLN 32 2HE2 GLN 32 3.252 3.638 0.298 226 H ARG 33 H ARG 33 2.992 6.819 7.189 227 HA ARG 33 HA ARG 33 5.000 8.674 6.908 228 HB2 ARG 33 1HB ARG 33 3.378 8.227 9.420 229 HB3 ARG 33 2HB ARG 33 4.167 9.722 8.935 230 HG2 ARG 33 1HG ARG 33 2.645 9.434 6.803 231 HG3 ARG 33 2HG ARG 33 1.671 8.476 7.921 232 HD2 ARG 33 1HD ARG 33 0.979 10.843 7.833 233 HD3 ARG 33 2HD ARG 33 1.503 10.342 9.440 234 HE ARG 33 HE ARG 33 3.715 11.422 8.152 235 HH11 ARG 33 1HH1 ARG 33 0.585 12.466 9.263 236 HH12 ARG 33 2HH1 ARG 33 1.087 14.099 9.552 237 HH21 ARG 33 1HH2 ARG 33 4.388 13.569 8.528 238 HH22 ARG 33 2HH2 ARG 33 3.251 14.725 9.133 239 H ILE 34 H ILE 34 4.713 6.183 9.427 240 HA ILE 34 HA ILE 34 6.929 6.815 10.951 241 HB ILE 34 HB ILE 34 6.922 4.578 11.771 242 HG12 ILE 34 1HG1 ILE 34 5.181 3.757 9.445 243 HG13 ILE 34 2HG1 ILE 34 6.927 3.541 9.458 244 HG21 ILE 34 1HG2 ILE 34 4.100 4.443 11.328 245 HG22 ILE 34 2HG2 ILE 34 4.977 4.929 12.778 246 HG23 ILE 34 3HG2 ILE 34 4.584 6.125 11.544 247 HD11 ILE 34 3HD1 ILE 34 4.850 2.195 11.132 248 HD12 ILE 34 1HD1 ILE 34 6.106 1.480 10.123 249 HD13 ILE 34 2HD1 ILE 34 6.536 2.258 11.647 250 H HIS 35 H HIS 35 6.805 5.583 7.754 251 HA HIS 35 HA HIS 35 9.562 4.632 7.822 252 HB2 HIS 35 1HB HIS 35 7.442 4.598 5.672 253 HB3 HIS 35 2HB HIS 35 9.097 4.063 5.400 254 HD1 HIS 35 HD1 HIS 35 9.836 2.140 7.333 255 HD2 HIS 35 HD2 HIS 35 5.827 2.543 6.319 256 HE1 HIS 35 HE1 HIS 35 8.746 -0.018 8.028 257 H THR 36 H THR 36 7.603 7.069 6.136 258 HA THR 36 HA THR 36 9.577 8.219 4.569 259 HB THR 36 HB THR 36 8.222 10.305 4.646 260 HG1 THR 36 HG1 THR 36 7.425 10.305 6.722 261 HG21 THR 36 3HG2 THR 36 7.440 7.731 3.721 262 HG22 THR 36 1HG2 THR 36 7.025 9.310 3.054 263 HG23 THR 36 2HG2 THR 36 5.997 8.575 4.284 264 H GLY 37 H GLY 37 8.650 9.021 7.908 265 HA2 GLY 37 1HA GLY 37 10.318 11.198 8.322 266 HA3 GLY 37 2HA GLY 37 9.816 10.077 9.579 267 H GLU 38 H GLU 38 11.060 7.899 9.457 268 HA GLU 38 HA GLU 38 13.903 8.595 9.387 269 HB2 GLU 38 1HB GLU 38 12.293 6.515 10.820 270 HB3 GLU 38 2HB GLU 38 14.015 6.258 10.572 271 HG2 GLU 38 1HG GLU 38 12.741 8.571 12.015 272 HG3 GLU 38 2HG GLU 38 13.611 7.224 12.746 273 H LYS 39 H LYS 39 15.177 7.900 7.811 274 HA LYS 39 HA LYS 39 14.508 6.717 5.502 275 HB2 LYS 39 1HB LYS 39 16.815 7.542 6.314 276 HB3 LYS 39 2HB LYS 39 17.069 5.884 6.844 277 HG2 LYS 39 1HG LYS 39 16.782 5.082 4.578 278 HG3 LYS 39 2HG LYS 39 16.429 6.720 4.022 279 HD2 LYS 39 1HD LYS 39 18.997 6.123 5.442 280 HD3 LYS 39 2HD LYS 39 18.823 5.762 3.723 281 HE2 LYS 39 1HE LYS 39 18.226 8.463 4.912 282 HE3 LYS 39 2HE LYS 39 19.812 8.016 4.285 283 HZ1 LYS 39 3HZ LYS 39 17.268 8.129 2.760 284 HZ2 LYS 39 1HZ LYS 39 18.724 7.534 2.137 285 HZ3 LYS 39 2HZ LYS 39 18.600 9.159 2.591 286 HA PRO 40 HA PRO 40 13.151 2.605 6.334 287 HB2 PRO 40 1HB PRO 40 13.406 1.588 3.829 288 HB3 PRO 40 2HB PRO 40 12.112 2.702 4.287 289 HG2 PRO 40 1HG PRO 40 14.683 3.269 2.862 290 HG3 PRO 40 2HG PRO 40 13.054 3.881 2.518 291 HD2 PRO 40 1HD PRO 40 14.910 5.342 3.842 292 HD3 PRO 40 2HD PRO 40 13.171 5.484 4.170 293 H SER 41 H SER 41 16.180 3.144 4.593 294 HA SER 41 HA SER 41 17.497 1.115 6.156 295 HB2 SER 41 1HB SER 41 17.150 0.745 3.173 296 HB3 SER 41 2HB SER 41 18.306 -0.156 4.154 297 HG SER 41 HG SER 41 16.732 -1.425 4.681 298 H GLY 42 H GLY 42 19.851 0.977 5.593 299 HA2 GLY 42 1HA GLY 42 20.916 3.614 5.366 300 HA3 GLY 42 2HA GLY 42 21.844 2.126 5.488 301 HA PRO 43 HA PRO 43 22.846 2.151 1.220 302 HB2 PRO 43 1HB PRO 43 22.158 -0.300 0.278 303 HB3 PRO 43 2HB PRO 43 23.522 -0.039 1.371 304 HG2 PRO 43 1HG PRO 43 20.752 -0.989 1.991 305 HG3 PRO 43 2HG PRO 43 22.303 -1.589 2.605 306 HD2 PRO 43 1HD PRO 43 20.714 0.072 4.036 307 HD3 PRO 43 2HD PRO 43 22.485 0.103 4.160 308 H SER 44 H SER 44 21.980 3.069 -0.533 309 HA SER 44 HA SER 44 19.277 2.326 -1.373 310 HB2 SER 44 1HB SER 44 19.011 4.314 0.052 311 HB3 SER 44 2HB SER 44 20.175 5.187 -0.944 312 HG SER 44 HG SER 44 18.369 5.760 -1.914 313 H SER 45 H SER 45 18.984 2.311 -3.543 314 HA SER 45 HA SER 45 21.259 3.200 -5.192 315 HB2 SER 45 1HB SER 45 20.791 0.701 -5.068 316 HB3 SER 45 2HB SER 45 19.294 1.030 -5.940 317 HG SER 45 HG SER 45 20.677 0.653 -7.545 318 H GLY 46 H GLY 46 19.281 5.021 -4.508 319 HA2 GLY 46 1HA GLY 46 18.316 6.731 -5.806 320 HA3 GLY 46 2HA GLY 46 18.208 5.613 -7.158 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -1.132 -34.528 13.278 2 HA2 GLY 1 1HA GLY 1 -1.275 -32.483 12.234 3 HA3 GLY 1 2HA GLY 1 -2.722 -33.068 11.425 4 H SER 2 H SER 2 -2.708 -30.487 12.107 5 HA SER 2 HA SER 2 -4.570 -30.398 14.383 6 HB2 SER 2 1HB SER 2 -2.484 -28.295 13.753 7 HB3 SER 2 2HB SER 2 -3.646 -28.247 15.079 8 HG SER 2 HG SER 2 -2.582 -30.397 15.617 9 H SER 3 H SER 3 -5.893 -28.339 14.355 10 HA SER 3 HA SER 3 -6.868 -27.936 11.631 11 HB2 SER 3 1HB SER 3 -8.905 -27.178 12.602 12 HB3 SER 3 2HB SER 3 -8.401 -28.567 13.565 13 HG SER 3 HG SER 3 -7.312 -26.751 14.865 14 H GLY 4 H GLY 4 -7.095 -25.923 10.672 15 HA2 GLY 4 1HA GLY 4 -6.865 -23.417 11.668 16 HA3 GLY 4 2HA GLY 4 -5.191 -23.938 11.558 17 H SER 5 H SER 5 -5.391 -25.483 9.203 18 HA SER 5 HA SER 5 -4.706 -23.836 7.212 19 HB2 SER 5 1HB SER 5 -6.430 -26.307 6.928 20 HB3 SER 5 2HB SER 5 -5.603 -25.515 5.587 21 HG SER 5 HG SER 5 -4.073 -26.174 7.818 22 H SER 6 H SER 6 -5.591 -22.012 6.517 23 HA SER 6 HA SER 6 -8.342 -22.021 5.582 24 HB2 SER 6 1HB SER 6 -8.145 -21.238 8.086 25 HB3 SER 6 2HB SER 6 -7.564 -19.739 7.363 26 HG SER 6 HG SER 6 -9.502 -19.348 6.571 27 H GLY 7 H GLY 7 -8.808 -20.356 4.093 28 HA2 GLY 7 1HA GLY 7 -6.777 -19.643 2.352 29 HA3 GLY 7 2HA GLY 7 -8.333 -18.832 2.442 30 H THR 8 H THR 8 -6.659 -17.108 1.720 31 HA THR 8 HA THR 8 -5.797 -15.676 4.145 32 HB THR 8 HB THR 8 -4.333 -15.626 1.500 33 HG1 THR 8 HG1 THR 8 -4.249 -17.615 2.944 34 HG21 THR 8 3HG2 THR 8 -2.761 -14.234 2.510 35 HG22 THR 8 1HG2 THR 8 -3.290 -14.653 4.138 36 HG23 THR 8 2HG2 THR 8 -4.291 -13.612 3.127 37 H GLY 9 H GLY 9 -6.111 -13.461 4.176 38 HA2 GLY 9 1HA GLY 9 -7.895 -12.453 2.062 39 HA3 GLY 9 2HA GLY 9 -7.820 -11.839 3.707 40 H GLU 10 H GLU 10 -5.848 -12.152 0.765 41 HA GLU 10 HA GLU 10 -3.969 -10.169 1.509 42 HB2 GLU 10 1HB GLU 10 -4.700 -11.494 -1.082 43 HB3 GLU 10 2HB GLU 10 -3.572 -10.145 -1.063 44 HG2 GLU 10 1HG GLU 10 -2.110 -11.875 -0.911 45 HG3 GLU 10 2HG GLU 10 -2.402 -11.584 0.802 46 H LYS 11 H LYS 11 -4.812 -8.229 2.078 47 HA LYS 11 HA LYS 11 -6.948 -6.956 0.700 48 HB2 LYS 11 1HB LYS 11 -4.906 -5.653 2.504 49 HB3 LYS 11 2HB LYS 11 -6.519 -5.063 2.126 50 HG2 LYS 11 1HG LYS 11 -6.160 -7.717 3.450 51 HG3 LYS 11 2HG LYS 11 -6.086 -6.225 4.392 52 HD2 LYS 11 1HD LYS 11 -8.309 -5.604 3.603 53 HD3 LYS 11 2HD LYS 11 -8.381 -7.069 2.620 54 HE2 LYS 11 1HE LYS 11 -8.428 -8.459 4.537 55 HE3 LYS 11 2HE LYS 11 -7.989 -7.125 5.603 56 HZ1 LYS 11 3HZ LYS 11 -10.427 -7.872 5.501 57 HZ2 LYS 11 1HZ LYS 11 -10.485 -7.028 4.036 58 HZ3 LYS 11 2HZ LYS 11 -10.095 -6.214 5.465 59 HA PRO 12 HA PRO 12 -4.888 -5.001 -2.651 60 HB2 PRO 12 1HB PRO 12 -6.395 -2.760 -2.922 61 HB3 PRO 12 2HB PRO 12 -6.968 -4.365 -3.389 62 HG2 PRO 12 1HG PRO 12 -7.522 -2.808 -0.893 63 HG3 PRO 12 2HG PRO 12 -8.639 -3.758 -1.890 64 HD2 PRO 12 1HD PRO 12 -7.586 -4.701 0.419 65 HD3 PRO 12 2HD PRO 12 -7.974 -5.756 -0.955 66 H TYR 13 H TYR 13 -4.824 -3.775 0.467 67 HA TYR 13 HA TYR 13 -2.882 -1.704 -0.319 68 HB2 TYR 13 1HB TYR 13 -4.799 -1.585 2.019 69 HB3 TYR 13 2HB TYR 13 -3.591 -0.370 1.615 70 HD1 TYR 13 HD1 TYR 13 -3.872 1.032 -0.401 71 HD2 TYR 13 HD2 TYR 13 -6.885 -1.698 0.852 72 HE1 TYR 13 HE1 TYR 13 -5.503 2.180 -1.841 73 HE2 TYR 13 HE2 TYR 13 -8.524 -0.559 -0.585 74 HH TYR 13 HH TYR 13 -7.658 2.352 -2.410 75 H LYS 14 H LYS 14 -0.978 -2.654 0.099 76 HA LYS 14 HA LYS 14 -0.504 -3.569 2.848 77 HB2 LYS 14 1HB LYS 14 -0.780 -5.606 1.615 78 HB3 LYS 14 2HB LYS 14 0.257 -5.028 0.317 79 HG2 LYS 14 1HG LYS 14 2.023 -4.885 2.279 80 HG3 LYS 14 2HG LYS 14 0.973 -6.119 2.980 81 HD2 LYS 14 1HD LYS 14 1.170 -7.204 0.604 82 HD3 LYS 14 2HD LYS 14 2.629 -6.216 0.496 83 HE2 LYS 14 1HE LYS 14 3.254 -8.372 1.319 84 HE3 LYS 14 2HE LYS 14 3.382 -7.222 2.650 85 HZ1 LYS 14 3HZ LYS 14 2.328 -9.211 3.423 86 HZ2 LYS 14 1HZ LYS 14 1.176 -9.153 2.186 87 HZ3 LYS 14 2HZ LYS 14 1.173 -7.975 3.399 88 H CYS 15 H CYS 15 1.219 -2.635 3.733 89 HA CYS 15 HA CYS 15 2.788 -0.759 2.308 90 HB2 CYS 15 1HB CYS 15 2.264 -0.673 4.766 91 HB3 CYS 15 2HB CYS 15 3.417 -1.984 4.999 92 H ASN 16 H ASN 16 4.829 -0.865 1.490 93 HA ASN 16 HA ASN 16 5.944 -3.552 1.167 94 HB2 ASN 16 1HB ASN 16 6.312 -0.964 -0.329 95 HB3 ASN 16 2HB ASN 16 7.417 -2.317 -0.550 96 HD21 ASN 16 1HD2 ASN 16 5.042 -0.872 -2.030 97 HD22 ASN 16 2HD2 ASN 16 4.211 -2.205 -2.751 98 H GLU 17 H GLU 17 6.561 -0.518 2.698 99 HA GLU 17 HA GLU 17 9.345 -0.672 3.015 100 HB2 GLU 17 1HB GLU 17 7.214 0.631 4.709 101 HB3 GLU 17 2HB GLU 17 8.934 0.809 5.026 102 HG2 GLU 17 1HG GLU 17 7.529 1.621 2.491 103 HG3 GLU 17 2HG GLU 17 8.023 2.706 3.789 104 H CYS 18 H CYS 18 6.766 -1.591 5.303 105 HA CYS 18 HA CYS 18 8.724 -3.187 6.792 106 HB2 CYS 18 1HB CYS 18 7.003 -3.266 8.565 107 HB3 CYS 18 2HB CYS 18 7.433 -1.615 8.128 108 H GLY 19 H GLY 19 5.589 -3.427 5.171 109 HA2 GLY 19 1HA GLY 19 5.136 -5.420 3.857 110 HA3 GLY 19 2HA GLY 19 5.973 -6.352 5.090 111 H LYS 20 H LYS 20 3.769 -3.814 5.978 112 HA LYS 20 HA LYS 20 2.040 -5.799 7.234 113 HB2 LYS 20 1HB LYS 20 2.352 -2.821 7.525 114 HB3 LYS 20 2HB LYS 20 0.966 -3.664 8.204 115 HG2 LYS 20 1HG LYS 20 2.377 -4.980 9.619 116 HG3 LYS 20 2HG LYS 20 3.827 -4.347 8.838 117 HD2 LYS 20 1HD LYS 20 3.768 -3.011 10.694 118 HD3 LYS 20 2HD LYS 20 2.797 -2.033 9.591 119 HE2 LYS 20 1HE LYS 20 1.418 -4.073 11.260 120 HE3 LYS 20 2HE LYS 20 1.979 -2.595 12.042 121 HZ1 LYS 20 3HZ LYS 20 0.196 -1.572 11.260 122 HZ2 LYS 20 1HZ LYS 20 -0.308 -2.973 10.456 123 HZ3 LYS 20 2HZ LYS 20 0.704 -1.866 9.674 124 H VAL 21 H VAL 21 -0.356 -5.324 7.203 125 HA VAL 21 HA VAL 21 -1.208 -4.325 4.567 126 HB VAL 21 HB VAL 21 -2.477 -6.709 5.903 127 HG11 VAL 21 1HG1 VAL 21 -2.755 -5.318 3.276 128 HG12 VAL 21 2HG1 VAL 21 -3.103 -7.045 3.390 129 HG13 VAL 21 3HG1 VAL 21 -4.003 -5.896 4.380 130 HG21 VAL 21 3HG2 VAL 21 -0.852 -8.052 5.203 131 HG22 VAL 21 1HG2 VAL 21 -0.987 -7.415 3.563 132 HG23 VAL 21 2HG2 VAL 21 0.080 -6.631 4.729 133 H PHE 22 H PHE 22 -3.261 -3.382 4.467 134 HA PHE 22 HA PHE 22 -4.666 -3.000 7.014 135 HB2 PHE 22 1HB PHE 22 -4.017 -0.751 5.098 136 HB3 PHE 22 2HB PHE 22 -4.895 -0.612 6.618 137 HD1 PHE 22 HD1 PHE 22 -1.612 -1.803 5.314 138 HD2 PHE 22 HD2 PHE 22 -3.745 0.070 8.485 139 HE1 PHE 22 HE1 PHE 22 0.508 -1.394 6.493 140 HE2 PHE 22 HE2 PHE 22 -1.629 0.483 9.669 141 HZ PHE 22 HZ PHE 22 0.502 -0.248 8.674 142 H ARG 23 H ARG 23 -6.805 -1.743 6.542 143 HA ARG 23 HA ARG 23 -8.155 -3.236 4.439 144 HB2 ARG 23 1HB ARG 23 -8.942 -2.840 6.923 145 HB3 ARG 23 2HB ARG 23 -9.571 -1.337 6.262 146 HG2 ARG 23 1HG ARG 23 -10.808 -2.683 4.567 147 HG3 ARG 23 2HG ARG 23 -10.290 -4.135 5.427 148 HD2 ARG 23 1HD ARG 23 -11.805 -1.881 6.727 149 HD3 ARG 23 2HD ARG 23 -12.586 -3.290 6.012 150 HE ARG 23 HE ARG 23 -10.601 -4.081 7.871 151 HH11 ARG 23 1HH1 ARG 23 -13.814 -2.755 7.675 152 HH12 ARG 23 2HH1 ARG 23 -14.311 -3.389 9.209 153 HH21 ARG 23 1HH2 ARG 23 -11.243 -4.921 9.893 154 HH22 ARG 23 2HH2 ARG 23 -12.847 -4.620 10.470 155 H HIS 24 H HIS 24 -7.969 0.155 5.528 156 HA HIS 24 HA HIS 24 -8.669 0.975 2.786 157 HB2 HIS 24 1HB HIS 24 -10.128 1.597 4.903 158 HB3 HIS 24 2HB HIS 24 -8.911 2.856 5.096 159 HD1 HIS 24 HD1 HIS 24 -9.219 4.920 3.733 160 HD2 HIS 24 HD2 HIS 24 -11.507 1.750 2.327 161 HE1 HIS 24 HE1 HIS 24 -10.673 5.890 1.925 162 H ASN 25 H ASN 25 -7.575 2.779 1.880 163 HA ASN 25 HA ASN 25 -4.797 2.813 2.365 164 HB2 ASN 25 1HB ASN 25 -6.013 3.371 0.192 165 HB3 ASN 25 2HB ASN 25 -6.320 4.959 0.888 166 HD21 ASN 25 1HD2 ASN 25 -5.110 5.872 -0.817 167 HD22 ASN 25 2HD2 ASN 25 -3.382 5.843 -0.796 168 H SER 26 H SER 26 -7.272 5.315 2.939 169 HA SER 26 HA SER 26 -5.922 7.364 3.979 170 HB2 SER 26 1HB SER 26 -8.480 6.901 3.971 171 HB3 SER 26 2HB SER 26 -8.214 6.297 5.606 172 HG SER 26 HG SER 26 -7.051 8.455 5.826 173 H TYR 27 H TYR 27 -6.717 4.451 5.862 174 HA TYR 27 HA TYR 27 -5.380 5.250 8.212 175 HB2 TYR 27 1HB TYR 27 -5.874 2.416 7.286 176 HB3 TYR 27 2HB TYR 27 -5.625 2.962 8.940 177 HD1 TYR 27 HD2 TYR 27 -7.370 5.224 9.244 178 HD2 TYR 27 HD1 TYR 27 -8.033 1.623 7.077 179 HE1 TYR 27 HE2 TYR 27 -9.797 5.514 9.516 180 HE2 TYR 27 HE1 TYR 27 -10.462 1.903 7.342 181 HH TYR 27 HH TYR 27 -11.989 3.151 9.102 182 H LEU 28 H LEU 28 -4.371 3.085 5.573 183 HA LEU 28 HA LEU 28 -1.865 2.391 6.507 184 HB2 LEU 28 1HB LEU 28 -2.658 1.274 4.605 185 HB3 LEU 28 2HB LEU 28 -2.943 2.780 3.736 186 HG LEU 28 HG LEU 28 -0.414 3.066 3.715 187 HD11 LEU 28 1HD1 LEU 28 0.964 1.181 4.080 188 HD12 LEU 28 2HD1 LEU 28 -0.425 0.110 4.266 189 HD13 LEU 28 3HD1 LEU 28 -0.072 1.318 5.501 190 HD21 LEU 28 3HD2 LEU 28 -0.222 1.217 1.897 191 HD22 LEU 28 1HD2 LEU 28 -1.334 2.565 1.658 192 HD23 LEU 28 2HD2 LEU 28 -1.947 1.001 2.193 193 H SER 29 H SER 29 -2.690 5.129 4.381 194 HA SER 29 HA SER 29 -0.292 6.267 3.910 195 HB2 SER 29 1HB SER 29 -2.408 7.244 3.140 196 HB3 SER 29 2HB SER 29 -2.777 7.762 4.785 197 HG SER 29 HG SER 29 -0.506 8.800 4.451 198 H ARG 30 H ARG 30 -2.229 7.158 6.773 199 HA ARG 30 HA ARG 30 -0.433 8.715 8.102 200 HB2 ARG 30 1HB ARG 30 -2.590 6.871 8.996 201 HB3 ARG 30 2HB ARG 30 -1.486 7.482 10.222 202 HG2 ARG 30 1HG ARG 30 -3.380 8.918 10.155 203 HG3 ARG 30 2HG ARG 30 -2.018 9.790 9.448 204 HD2 ARG 30 1HD ARG 30 -3.898 8.242 7.708 205 HD3 ARG 30 2HD ARG 30 -4.331 9.856 8.271 206 HE ARG 30 HE ARG 30 -2.341 9.175 6.300 207 HH11 ARG 30 1HH1 ARG 30 -3.472 11.576 8.552 208 HH12 ARG 30 2HH1 ARG 30 -2.711 12.897 7.729 209 HH21 ARG 30 1HH2 ARG 30 -1.333 10.905 5.206 210 HH22 ARG 30 2HH2 ARG 30 -1.495 12.514 5.825 211 H HIS 31 H HIS 31 -0.603 5.172 8.192 212 HA HIS 31 HA HIS 31 1.498 4.794 10.031 213 HB2 HIS 31 1HB HIS 31 0.239 2.881 9.791 214 HB3 HIS 31 2HB HIS 31 0.077 3.077 8.048 215 HD1 HIS 31 HD1 HIS 31 2.630 1.981 10.621 216 HD2 HIS 31 HD2 HIS 31 1.834 1.606 6.560 217 HE1 HIS 31 HE1 HIS 31 4.299 0.308 9.760 218 H GLN 32 H GLN 32 1.501 4.430 6.480 219 HA GLN 32 HA GLN 32 4.065 3.842 5.941 220 HB2 GLN 32 1HB GLN 32 2.214 5.768 4.569 221 HB3 GLN 32 2HB GLN 32 3.837 5.492 3.951 222 HG2 GLN 32 1HG GLN 32 3.225 3.011 3.972 223 HG3 GLN 32 2HG GLN 32 1.560 3.559 4.162 224 HE21 GLN 32 1HE2 GLN 32 2.066 2.101 2.012 225 HE22 GLN 32 2HE2 GLN 32 2.108 3.068 0.581 226 H ARG 33 H ARG 33 2.920 6.852 7.258 227 HA ARG 33 HA ARG 33 4.933 8.622 6.737 228 HB2 ARG 33 1HB ARG 33 3.538 8.211 9.388 229 HB3 ARG 33 2HB ARG 33 4.439 9.649 8.931 230 HG2 ARG 33 1HG ARG 33 2.092 8.672 7.340 231 HG3 ARG 33 2HG ARG 33 1.911 9.744 8.730 232 HD2 ARG 33 1HD ARG 33 3.724 10.365 6.412 233 HD3 ARG 33 2HD ARG 33 2.031 10.855 6.457 234 HE ARG 33 HE ARG 33 3.057 11.789 8.800 235 HH11 ARG 33 1HH1 ARG 33 3.910 12.145 5.443 236 HH12 ARG 33 2HH1 ARG 33 4.575 13.732 5.645 237 HH21 ARG 33 1HH2 ARG 33 3.930 13.878 9.079 238 HH22 ARG 33 2HH2 ARG 33 4.587 14.716 7.714 239 H ILE 34 H ILE 34 4.879 6.359 9.494 240 HA ILE 34 HA ILE 34 7.228 6.851 10.715 241 HB ILE 34 HB ILE 34 7.362 4.569 11.401 242 HG12 ILE 34 1HG1 ILE 34 5.434 3.842 9.191 243 HG13 ILE 34 2HG1 ILE 34 7.178 3.646 9.057 244 HG21 ILE 34 1HG2 ILE 34 4.445 5.148 10.923 245 HG22 ILE 34 2HG2 ILE 34 5.148 4.179 12.217 246 HG23 ILE 34 3HG2 ILE 34 5.416 5.921 12.175 247 HD11 ILE 34 3HD1 ILE 34 6.886 2.285 11.269 248 HD12 ILE 34 1HD1 ILE 34 5.220 2.140 10.710 249 HD13 ILE 34 2HD1 ILE 34 6.543 1.550 9.704 250 H HIS 35 H HIS 35 6.840 5.555 7.518 251 HA HIS 35 HA HIS 35 9.651 4.832 7.303 252 HB2 HIS 35 1HB HIS 35 7.482 4.744 5.197 253 HB3 HIS 35 2HB HIS 35 9.081 4.015 5.080 254 HD1 HIS 35 HD1 HIS 35 9.372 2.428 7.560 255 HD2 HIS 35 HD2 HIS 35 5.739 2.723 5.566 256 HE1 HIS 35 HE1 HIS 35 8.045 0.416 8.279 257 H THR 36 H THR 36 9.259 7.533 7.843 258 HA THR 36 HA THR 36 9.776 8.858 5.269 259 HB THR 36 HB THR 36 9.480 10.987 6.650 260 HG1 THR 36 HG1 THR 36 8.046 9.353 8.449 261 HG21 THR 36 3HG2 THR 36 7.533 9.154 5.569 262 HG22 THR 36 1HG2 THR 36 7.558 10.916 5.520 263 HG23 THR 36 2HG2 THR 36 6.845 10.083 6.901 264 H GLY 37 H GLY 37 10.882 9.099 8.660 265 HA2 GLY 37 1HA GLY 37 13.337 8.620 8.945 266 HA3 GLY 37 2HA GLY 37 13.569 9.736 7.607 267 H GLU 38 H GLU 38 11.856 9.682 10.739 268 HA GLU 38 HA GLU 38 12.617 12.486 11.125 269 HB2 GLU 38 1HB GLU 38 10.243 11.962 11.385 270 HB3 GLU 38 2HB GLU 38 10.628 10.765 12.614 271 HG2 GLU 38 1HG GLU 38 11.667 12.677 13.927 272 HG3 GLU 38 2HG GLU 38 10.858 13.749 12.785 273 H LYS 39 H LYS 39 14.416 12.853 12.223 274 HA LYS 39 HA LYS 39 15.927 11.015 13.618 275 HB2 LYS 39 1HB LYS 39 16.944 13.045 14.757 276 HB3 LYS 39 2HB LYS 39 16.961 13.051 12.999 277 HG2 LYS 39 1HG LYS 39 16.228 15.162 13.334 278 HG3 LYS 39 2HG LYS 39 14.666 14.341 13.373 279 HD2 LYS 39 1HD LYS 39 15.017 14.149 15.891 280 HD3 LYS 39 2HD LYS 39 16.326 15.315 15.684 281 HE2 LYS 39 1HE LYS 39 14.504 16.655 16.216 282 HE3 LYS 39 2HE LYS 39 14.562 16.740 14.456 283 HZ1 LYS 39 3HZ LYS 39 12.602 15.711 14.270 284 HZ2 LYS 39 1HZ LYS 39 12.375 16.122 15.895 285 HZ3 LYS 39 2HZ LYS 39 12.946 14.584 15.484 286 HA PRO 40 HA PRO 40 13.777 10.311 17.399 287 HB2 PRO 40 1HB PRO 40 15.855 9.403 18.891 288 HB3 PRO 40 2HB PRO 40 15.093 8.441 17.619 289 HG2 PRO 40 1HG PRO 40 17.618 10.045 17.524 290 HG3 PRO 40 2HG PRO 40 17.295 8.428 16.872 291 HD2 PRO 40 1HD PRO 40 17.296 10.650 15.324 292 HD3 PRO 40 2HD PRO 40 16.244 9.257 14.996 293 H SER 41 H SER 41 16.994 11.805 17.826 294 HA SER 41 HA SER 41 15.927 13.379 20.052 295 HB2 SER 41 1HB SER 41 18.268 13.884 20.577 296 HB3 SER 41 2HB SER 41 18.029 12.143 20.431 297 HG SER 41 HG SER 41 19.336 12.116 18.783 298 H GLY 42 H GLY 42 15.277 15.394 19.719 299 HA2 GLY 42 1HA GLY 42 16.224 16.792 17.306 300 HA3 GLY 42 2HA GLY 42 14.724 17.134 18.155 301 HA PRO 43 HA PRO 43 18.484 19.751 19.633 302 HB2 PRO 43 1HB PRO 43 18.323 21.880 17.957 303 HB3 PRO 43 2HB PRO 43 19.337 20.471 17.625 304 HG2 PRO 43 1HG PRO 43 16.620 21.142 16.562 305 HG3 PRO 43 2HG PRO 43 18.028 20.490 15.703 306 HD2 PRO 43 1HD PRO 43 15.963 18.934 16.507 307 HD3 PRO 43 2HD PRO 43 17.633 18.339 16.431 308 H SER 44 H SER 44 15.433 20.935 18.229 309 HA SER 44 HA SER 44 15.028 22.531 20.674 310 HB2 SER 44 1HB SER 44 13.581 24.007 19.268 311 HB3 SER 44 2HB SER 44 15.270 23.995 18.760 312 HG SER 44 HG SER 44 14.726 23.054 16.942 313 H SER 45 H SER 45 14.010 20.795 21.748 314 HA SER 45 HA SER 45 11.890 19.275 20.739 315 HB2 SER 45 1HB SER 45 12.447 20.067 23.608 316 HB3 SER 45 2HB SER 45 11.372 18.765 23.099 317 HG SER 45 HG SER 45 13.400 17.926 23.609 318 H GLY 46 H GLY 46 9.790 19.671 20.414 319 HA2 GLY 46 1HA GLY 46 7.784 20.784 20.332 320 HA3 GLY 46 2HA GLY 46 8.192 21.419 21.919 Start of MODEL 14 1 H1 GLY 1 H GLY 1 7.570 -19.376 9.926 2 HA2 GLY 1 1HA GLY 1 5.344 -20.006 9.807 3 HA3 GLY 1 2HA GLY 1 5.175 -18.361 9.213 4 H SER 2 H SER 2 5.987 -21.637 8.089 5 HA SER 2 HA SER 2 5.374 -21.057 5.364 6 HB2 SER 2 1HB SER 2 5.632 -23.469 5.006 7 HB3 SER 2 2HB SER 2 6.945 -22.848 6.006 8 HG SER 2 HG SER 2 4.602 -24.039 7.067 9 H SER 3 H SER 3 3.615 -22.493 8.055 10 HA SER 3 HA SER 3 1.458 -23.652 6.898 11 HB2 SER 3 1HB SER 3 1.792 -22.048 9.389 12 HB3 SER 3 2HB SER 3 0.150 -22.443 8.882 13 HG SER 3 HG SER 3 2.063 -24.042 9.977 14 H GLY 4 H GLY 4 -0.370 -23.067 5.834 15 HA2 GLY 4 1HA GLY 4 -0.588 -20.215 5.107 16 HA3 GLY 4 2HA GLY 4 -1.097 -21.548 4.081 17 H SER 5 H SER 5 -2.178 -19.158 6.074 18 HA SER 5 HA SER 5 -4.316 -20.462 7.419 19 HB2 SER 5 1HB SER 5 -3.972 -17.544 6.686 20 HB3 SER 5 2HB SER 5 -5.172 -18.176 7.813 21 HG SER 5 HG SER 5 -2.369 -18.060 8.083 22 H SER 6 H SER 6 -5.854 -21.503 6.331 23 HA SER 6 HA SER 6 -6.707 -20.648 3.711 24 HB2 SER 6 1HB SER 6 -7.370 -22.956 5.510 25 HB3 SER 6 2HB SER 6 -8.406 -22.595 4.130 26 HG SER 6 HG SER 6 -5.649 -22.712 3.706 27 H GLY 7 H GLY 7 -7.514 -18.541 4.304 28 HA2 GLY 7 1HA GLY 7 -10.338 -18.631 4.922 29 HA3 GLY 7 2HA GLY 7 -9.365 -17.800 6.126 30 H THR 8 H THR 8 -9.768 -15.698 5.878 31 HA THR 8 HA THR 8 -9.525 -14.569 3.165 32 HB THR 8 HB THR 8 -11.288 -13.488 5.370 33 HG1 THR 8 HG1 THR 8 -12.975 -14.427 4.292 34 HG21 THR 8 3HG2 THR 8 -10.227 -12.177 3.203 35 HG22 THR 8 1HG2 THR 8 -11.696 -11.713 4.059 36 HG23 THR 8 2HG2 THR 8 -11.800 -12.701 2.602 37 H GLY 9 H GLY 9 -7.358 -14.015 3.380 38 HA2 GLY 9 1HA GLY 9 -6.873 -11.745 5.189 39 HA3 GLY 9 2HA GLY 9 -5.744 -13.092 5.176 40 H GLU 10 H GLU 10 -7.396 -11.088 2.726 41 HA GLU 10 HA GLU 10 -4.781 -10.392 1.615 42 HB2 GLU 10 1HB GLU 10 -7.006 -11.781 0.144 43 HB3 GLU 10 2HB GLU 10 -5.844 -10.774 -0.709 44 HG2 GLU 10 1HG GLU 10 -4.888 -12.838 -0.930 45 HG3 GLU 10 2HG GLU 10 -4.085 -12.249 0.525 46 H LYS 11 H LYS 11 -4.707 -8.257 1.528 47 HA LYS 11 HA LYS 11 -7.172 -6.786 0.855 48 HB2 LYS 11 1HB LYS 11 -5.076 -6.286 2.912 49 HB3 LYS 11 2HB LYS 11 -5.801 -4.890 2.127 50 HG2 LYS 11 1HG LYS 11 -7.095 -5.196 4.029 51 HG3 LYS 11 2HG LYS 11 -8.050 -5.951 2.750 52 HD2 LYS 11 1HD LYS 11 -7.130 -8.147 3.405 53 HD3 LYS 11 2HD LYS 11 -6.258 -7.365 4.726 54 HE2 LYS 11 1HE LYS 11 -8.309 -6.714 5.776 55 HE3 LYS 11 2HE LYS 11 -9.250 -7.254 4.387 56 HZ1 LYS 11 3HZ LYS 11 -8.886 -9.470 4.900 57 HZ2 LYS 11 1HZ LYS 11 -9.113 -8.770 6.423 58 HZ3 LYS 11 2HZ LYS 11 -7.553 -9.143 5.888 59 HA PRO 12 HA PRO 12 -5.032 -5.150 -2.624 60 HB2 PRO 12 1HB PRO 12 -6.443 -2.857 -2.976 61 HB3 PRO 12 2HB PRO 12 -7.088 -4.453 -3.376 62 HG2 PRO 12 1HG PRO 12 -7.556 -2.776 -0.941 63 HG3 PRO 12 2HG PRO 12 -8.721 -3.715 -1.893 64 HD2 PRO 12 1HD PRO 12 -7.693 -4.611 0.446 65 HD3 PRO 12 2HD PRO 12 -8.136 -5.702 -0.883 66 H TYR 13 H TYR 13 -5.007 -3.696 0.435 67 HA TYR 13 HA TYR 13 -3.001 -1.724 -0.447 68 HB2 TYR 13 1HB TYR 13 -4.810 -1.610 1.976 69 HB3 TYR 13 2HB TYR 13 -3.588 -0.414 1.559 70 HD1 TYR 13 HD1 TYR 13 -3.925 1.101 -0.333 71 HD2 TYR 13 HD2 TYR 13 -6.913 -1.709 0.796 72 HE1 TYR 13 HE1 TYR 13 -5.575 2.319 -1.691 73 HE2 TYR 13 HE2 TYR 13 -8.571 -0.500 -0.561 74 HH TYR 13 HH TYR 13 -8.894 1.131 -2.050 75 H LYS 14 H LYS 14 -1.012 -2.362 0.016 76 HA LYS 14 HA LYS 14 -0.460 -3.491 2.659 77 HB2 LYS 14 1HB LYS 14 -0.619 -5.455 1.302 78 HB3 LYS 14 2HB LYS 14 0.348 -4.726 0.026 79 HG2 LYS 14 1HG LYS 14 2.141 -4.594 1.970 80 HG3 LYS 14 2HG LYS 14 1.194 -5.948 2.591 81 HD2 LYS 14 1HD LYS 14 1.443 -7.025 0.334 82 HD3 LYS 14 2HD LYS 14 2.583 -5.741 -0.077 83 HE2 LYS 14 1HE LYS 14 3.747 -6.468 2.147 84 HE3 LYS 14 2HE LYS 14 2.856 -7.968 1.896 85 HZ1 LYS 14 3HZ LYS 14 3.941 -7.497 -0.533 86 HZ2 LYS 14 1HZ LYS 14 4.587 -8.538 0.634 87 HZ3 LYS 14 2HZ LYS 14 5.159 -6.951 0.507 88 H CYS 15 H CYS 15 1.516 -2.942 3.507 89 HA CYS 15 HA CYS 15 2.899 -0.772 2.165 90 HB2 CYS 15 1HB CYS 15 2.341 -0.596 4.563 91 HB3 CYS 15 2HB CYS 15 3.365 -1.989 4.896 92 H ASN 16 H ASN 16 4.905 -0.848 1.307 93 HA ASN 16 HA ASN 16 6.131 -3.483 1.045 94 HB2 ASN 16 1HB ASN 16 6.797 -0.882 -0.353 95 HB3 ASN 16 2HB ASN 16 7.472 -2.462 -0.738 96 HD21 ASN 16 1HD2 ASN 16 5.585 -0.354 -2.030 97 HD22 ASN 16 2HD2 ASN 16 4.346 -1.337 -2.726 98 H GLU 17 H GLU 17 6.670 -0.393 2.536 99 HA GLU 17 HA GLU 17 9.430 -0.508 2.961 100 HB2 GLU 17 1HB GLU 17 7.171 0.823 4.422 101 HB3 GLU 17 2HB GLU 17 8.807 0.896 5.061 102 HG2 GLU 17 1HG GLU 17 9.566 2.223 3.359 103 HG3 GLU 17 2HG GLU 17 8.348 1.649 2.222 104 H CYS 18 H CYS 18 6.787 -1.525 5.126 105 HA CYS 18 HA CYS 18 8.741 -3.106 6.653 106 HB2 CYS 18 1HB CYS 18 7.114 -3.094 8.473 107 HB3 CYS 18 2HB CYS 18 7.459 -1.449 7.950 108 H GLY 19 H GLY 19 5.589 -3.263 5.057 109 HA2 GLY 19 1HA GLY 19 5.243 -5.346 3.742 110 HA3 GLY 19 2HA GLY 19 5.787 -6.210 5.172 111 H LYS 20 H LYS 20 4.311 -4.361 6.956 112 HA LYS 20 HA LYS 20 2.084 -5.770 7.538 113 HB2 LYS 20 1HB LYS 20 2.762 -2.883 7.854 114 HB3 LYS 20 2HB LYS 20 1.117 -3.390 8.213 115 HG2 LYS 20 1HG LYS 20 2.174 -5.157 9.719 116 HG3 LYS 20 2HG LYS 20 3.665 -4.229 9.550 117 HD2 LYS 20 1HD LYS 20 2.120 -2.217 10.220 118 HD3 LYS 20 2HD LYS 20 1.107 -3.492 10.900 119 HE2 LYS 20 1HE LYS 20 2.475 -2.881 12.680 120 HE3 LYS 20 2HE LYS 20 3.269 -4.313 12.028 121 HZ1 LYS 20 3HZ LYS 20 4.179 -1.889 10.804 122 HZ2 LYS 20 1HZ LYS 20 5.071 -3.142 11.508 123 HZ3 LYS 20 2HZ LYS 20 4.446 -1.903 12.474 124 H VAL 21 H VAL 21 -0.205 -5.445 7.174 125 HA VAL 21 HA VAL 21 -0.784 -4.364 4.492 126 HB VAL 21 HB VAL 21 -2.196 -6.684 5.813 127 HG11 VAL 21 1HG1 VAL 21 -2.380 -5.452 3.071 128 HG12 VAL 21 2HG1 VAL 21 -3.059 -7.028 3.481 129 HG13 VAL 21 3HG1 VAL 21 -3.650 -5.574 4.288 130 HG21 VAL 21 3HG2 VAL 21 -0.380 -7.866 5.254 131 HG22 VAL 21 1HG2 VAL 21 -0.926 -7.672 3.589 132 HG23 VAL 21 2HG2 VAL 21 0.271 -6.564 4.259 133 H PHE 22 H PHE 22 -2.865 -3.440 4.166 134 HA PHE 22 HA PHE 22 -4.384 -2.811 6.594 135 HB2 PHE 22 1HB PHE 22 -3.547 -0.754 4.539 136 HB3 PHE 22 2HB PHE 22 -4.547 -0.456 5.957 137 HD1 PHE 22 HD1 PHE 22 -1.196 -1.814 5.051 138 HD2 PHE 22 HD2 PHE 22 -3.545 0.359 7.857 139 HE1 PHE 22 HE1 PHE 22 0.826 -1.338 6.370 140 HE2 PHE 22 HE2 PHE 22 -1.527 0.840 9.180 141 HZ PHE 22 HZ PHE 22 0.663 -0.008 8.436 142 H ARG 23 H ARG 23 -6.545 -1.902 6.107 143 HA ARG 23 HA ARG 23 -7.690 -3.299 3.818 144 HB2 ARG 23 1HB ARG 23 -8.590 -3.397 6.239 145 HB3 ARG 23 2HB ARG 23 -9.252 -1.802 5.905 146 HG2 ARG 23 1HG ARG 23 -9.818 -4.027 4.008 147 HG3 ARG 23 2HG ARG 23 -10.688 -3.954 5.542 148 HD2 ARG 23 1HD ARG 23 -11.614 -1.845 5.028 149 HD3 ARG 23 2HD ARG 23 -10.501 -1.600 3.683 150 HE ARG 23 HE ARG 23 -11.831 -3.767 2.877 151 HH11 ARG 23 1HH1 ARG 23 -12.955 -0.761 4.227 152 HH12 ARG 23 2HH1 ARG 23 -14.467 -0.796 3.382 153 HH21 ARG 23 1HH2 ARG 23 -13.819 -3.825 1.759 154 HH22 ARG 23 2HH2 ARG 23 -14.958 -2.540 1.979 155 H HIS 24 H HIS 24 -7.616 -0.043 5.226 156 HA HIS 24 HA HIS 24 -8.541 1.010 2.634 157 HB2 HIS 24 1HB HIS 24 -9.898 1.344 4.885 158 HB3 HIS 24 2HB HIS 24 -8.737 2.646 5.124 159 HD1 HIS 24 HD1 HIS 24 -8.817 4.626 3.408 160 HD2 HIS 24 HD2 HIS 24 -11.863 1.830 2.995 161 HE1 HIS 24 HE1 HIS 24 -10.537 5.718 1.933 162 H ASN 25 H ASN 25 -7.406 2.642 1.668 163 HA ASN 25 HA ASN 25 -4.672 2.863 2.142 164 HB2 ASN 25 1HB ASN 25 -4.870 4.960 0.684 165 HB3 ASN 25 2HB ASN 25 -5.428 3.445 -0.018 166 HD21 ASN 25 1HD2 ASN 25 -7.624 3.110 -0.326 167 HD22 ASN 25 2HD2 ASN 25 -8.767 4.404 -0.275 168 H SER 26 H SER 26 -7.218 5.256 2.856 169 HA SER 26 HA SER 26 -5.909 7.299 3.964 170 HB2 SER 26 1HB SER 26 -8.410 6.965 3.935 171 HB3 SER 26 2HB SER 26 -8.234 6.011 5.407 172 HG SER 26 HG SER 26 -6.983 8.458 5.484 173 H TYR 27 H TYR 27 -6.762 4.404 5.867 174 HA TYR 27 HA TYR 27 -5.377 5.114 8.185 175 HB2 TYR 27 1HB TYR 27 -5.882 2.319 7.147 176 HB3 TYR 27 2HB TYR 27 -5.536 2.765 8.814 177 HD1 TYR 27 HD2 TYR 27 -7.244 4.993 9.374 178 HD2 TYR 27 HD1 TYR 27 -8.057 1.563 6.992 179 HE1 TYR 27 HE2 TYR 27 -9.649 5.273 9.802 180 HE2 TYR 27 HE1 TYR 27 -10.465 1.834 7.412 181 HH TYR 27 HH TYR 27 -12.047 3.183 8.253 182 H LEU 28 H LEU 28 -4.344 2.915 5.575 183 HA LEU 28 HA LEU 28 -1.835 2.265 6.447 184 HB2 LEU 28 1HB LEU 28 -2.640 1.237 4.488 185 HB3 LEU 28 2HB LEU 28 -2.872 2.785 3.678 186 HG LEU 28 HG LEU 28 -0.407 3.048 3.577 187 HD11 LEU 28 1HD1 LEU 28 -0.223 0.160 4.368 188 HD12 LEU 28 2HD1 LEU 28 -0.050 1.462 5.545 189 HD13 LEU 28 3HD1 LEU 28 1.073 1.343 4.190 190 HD21 LEU 28 3HD2 LEU 28 -2.077 1.323 2.069 191 HD22 LEU 28 1HD2 LEU 28 -0.488 0.567 2.197 192 HD23 LEU 28 2HD2 LEU 28 -0.638 2.198 1.543 193 H SER 29 H SER 29 -2.757 5.161 4.611 194 HA SER 29 HA SER 29 -0.325 6.317 4.154 195 HB2 SER 29 1HB SER 29 -2.413 7.317 3.380 196 HB3 SER 29 2HB SER 29 -2.863 7.714 5.038 197 HG SER 29 HG SER 29 -1.969 9.538 4.180 198 H ARG 30 H ARG 30 -2.321 7.097 7.009 199 HA ARG 30 HA ARG 30 -0.565 8.595 8.440 200 HB2 ARG 30 1HB ARG 30 -2.378 6.460 9.579 201 HB3 ARG 30 2HB ARG 30 -1.685 7.802 10.480 202 HG2 ARG 30 1HG ARG 30 -2.952 9.388 9.183 203 HG3 ARG 30 2HG ARG 30 -3.567 8.096 8.149 204 HD2 ARG 30 1HD ARG 30 -4.121 8.511 11.082 205 HD3 ARG 30 2HD ARG 30 -5.261 8.674 9.747 206 HE ARG 30 HE ARG 30 -5.465 6.375 9.661 207 HH11 ARG 30 1HH1 ARG 30 -2.903 7.283 11.837 208 HH12 ARG 30 2HH1 ARG 30 -2.740 5.697 12.515 209 HH21 ARG 30 1HH2 ARG 30 -5.259 4.282 10.546 210 HH22 ARG 30 2HH2 ARG 30 -4.080 3.991 11.780 211 H HIS 31 H HIS 31 -0.563 5.090 8.118 212 HA HIS 31 HA HIS 31 1.483 4.641 10.057 213 HB2 HIS 31 1HB HIS 31 0.210 2.739 9.706 214 HB3 HIS 31 2HB HIS 31 0.129 2.986 7.965 215 HD1 HIS 31 HD1 HIS 31 2.436 1.685 10.642 216 HD2 HIS 31 HD2 HIS 31 2.103 1.730 6.501 217 HE1 HIS 31 HE1 HIS 31 4.196 0.093 9.808 218 H GLN 32 H GLN 32 1.529 4.301 6.502 219 HA GLN 32 HA GLN 32 4.095 3.825 5.957 220 HB2 GLN 32 1HB GLN 32 2.221 5.762 4.630 221 HB3 GLN 32 2HB GLN 32 3.849 5.516 4.011 222 HG2 GLN 32 1HG GLN 32 3.236 3.018 4.002 223 HG3 GLN 32 2HG GLN 32 1.571 3.583 4.136 224 HE21 GLN 32 1HE2 GLN 32 2.781 2.126 1.970 225 HE22 GLN 32 2HE2 GLN 32 2.640 3.115 0.561 226 H ARG 33 H ARG 33 2.869 6.824 7.266 227 HA ARG 33 HA ARG 33 4.895 8.602 6.829 228 HB2 ARG 33 1HB ARG 33 3.412 8.196 9.433 229 HB3 ARG 33 2HB ARG 33 4.297 9.645 8.978 230 HG2 ARG 33 1HG ARG 33 2.670 9.538 6.892 231 HG3 ARG 33 2HG ARG 33 1.667 8.652 8.042 232 HD2 ARG 33 1HD ARG 33 1.019 10.895 8.276 233 HD3 ARG 33 2HD ARG 33 2.084 10.583 9.646 234 HE ARG 33 HE ARG 33 3.439 11.674 7.359 235 HH11 ARG 33 1HH1 ARG 33 1.623 12.419 10.235 236 HH12 ARG 33 2HH1 ARG 33 2.281 14.014 10.395 237 HH21 ARG 33 1HH2 ARG 33 4.312 13.772 7.559 238 HH22 ARG 33 2HH2 ARG 33 3.810 14.782 8.871 239 H ILE 34 H ILE 34 4.742 6.288 9.536 240 HA ILE 34 HA ILE 34 7.019 6.797 10.887 241 HB ILE 34 HB ILE 34 7.184 4.470 11.488 242 HG12 ILE 34 1HG1 ILE 34 5.109 3.653 9.504 243 HG13 ILE 34 2HG1 ILE 34 6.767 3.835 8.943 244 HG21 ILE 34 1HG2 ILE 34 5.390 4.869 12.732 245 HG22 ILE 34 2HG2 ILE 34 4.723 5.942 11.503 246 HG23 ILE 34 3HG2 ILE 34 4.393 4.211 11.435 247 HD11 ILE 34 3HD1 ILE 34 6.293 2.229 11.390 248 HD12 ILE 34 1HD1 ILE 34 5.840 1.538 9.832 249 HD13 ILE 34 2HD1 ILE 34 7.506 2.039 10.124 250 H HIS 35 H HIS 35 6.812 5.622 7.639 251 HA HIS 35 HA HIS 35 9.649 4.943 7.555 252 HB2 HIS 35 1HB HIS 35 7.530 4.776 5.402 253 HB3 HIS 35 2HB HIS 35 9.182 4.183 5.259 254 HD1 HIS 35 HD1 HIS 35 9.756 2.347 7.319 255 HD2 HIS 35 HD2 HIS 35 5.816 2.812 6.084 256 HE1 HIS 35 HE1 HIS 35 8.565 0.264 8.073 257 H THR 36 H THR 36 7.413 6.995 5.677 258 HA THR 36 HA THR 36 9.562 8.477 4.492 259 HB THR 36 HB THR 36 7.750 9.941 3.597 260 HG1 THR 36 HG1 THR 36 6.290 9.581 5.399 261 HG21 THR 36 3HG2 THR 36 6.645 7.323 2.953 262 HG22 THR 36 1HG2 THR 36 8.406 7.357 2.886 263 HG23 THR 36 2HG2 THR 36 7.464 8.489 1.915 264 H GLY 37 H GLY 37 10.758 9.480 6.084 265 HA2 GLY 37 1HA GLY 37 9.460 11.801 7.313 266 HA3 GLY 37 2HA GLY 37 10.275 10.664 8.376 267 H GLU 38 H GLU 38 12.560 10.419 8.207 268 HA GLU 38 HA GLU 38 14.011 12.743 8.065 269 HB2 GLU 38 1HB GLU 38 15.019 9.951 7.490 270 HB3 GLU 38 2HB GLU 38 16.024 11.332 7.907 271 HG2 GLU 38 1HG GLU 38 14.606 11.450 10.047 272 HG3 GLU 38 2HG GLU 38 14.111 9.811 9.630 273 H LYS 39 H LYS 39 13.983 14.082 6.365 274 HA LYS 39 HA LYS 39 14.644 12.961 3.721 275 HB2 LYS 39 1HB LYS 39 12.844 15.257 4.474 276 HB3 LYS 39 2HB LYS 39 13.474 15.060 2.844 277 HG2 LYS 39 1HG LYS 39 11.950 12.880 4.231 278 HG3 LYS 39 2HG LYS 39 11.146 14.159 3.317 279 HD2 LYS 39 1HD LYS 39 12.623 13.527 1.369 280 HD3 LYS 39 2HD LYS 39 13.108 12.110 2.303 281 HE2 LYS 39 1HE LYS 39 10.228 12.759 1.735 282 HE3 LYS 39 2HE LYS 39 11.214 11.803 0.629 283 HZ1 LYS 39 3HZ LYS 39 11.647 10.265 2.492 284 HZ2 LYS 39 1HZ LYS 39 10.011 10.341 2.066 285 HZ3 LYS 39 2HZ LYS 39 10.563 11.144 3.449 286 HA PRO 40 HA PRO 40 18.243 15.479 3.643 287 HB2 PRO 40 1HB PRO 40 18.485 15.916 0.975 288 HB3 PRO 40 2HB PRO 40 18.829 14.354 1.727 289 HG2 PRO 40 1HG PRO 40 16.367 15.259 0.285 290 HG3 PRO 40 2HG PRO 40 17.223 13.710 0.175 291 HD2 PRO 40 1HD PRO 40 14.971 14.029 1.645 292 HD3 PRO 40 2HD PRO 40 16.259 12.897 2.104 293 H SER 41 H SER 41 19.076 17.598 2.877 294 HA SER 41 HA SER 41 17.637 19.738 3.658 295 HB2 SER 41 1HB SER 41 19.610 19.692 1.362 296 HB3 SER 41 2HB SER 41 19.077 21.146 2.204 297 HG SER 41 HG SER 41 21.121 19.880 2.870 298 H GLY 42 H GLY 42 15.996 20.974 2.951 299 HA2 GLY 42 1HA GLY 42 14.330 21.797 1.595 300 HA3 GLY 42 2HA GLY 42 15.286 21.273 0.216 301 HA PRO 43 HA PRO 43 12.663 17.413 1.441 302 HB2 PRO 43 1HB PRO 43 10.876 17.714 3.462 303 HB3 PRO 43 2HB PRO 43 12.544 17.193 3.725 304 HG2 PRO 43 1HG PRO 43 11.334 19.911 4.055 305 HG3 PRO 43 2HG PRO 43 12.481 19.061 5.108 306 HD2 PRO 43 1HD PRO 43 13.253 20.983 3.364 307 HD3 PRO 43 2HD PRO 43 14.290 19.606 3.788 308 H SER 44 H SER 44 10.881 20.413 2.175 309 HA SER 44 HA SER 44 8.677 19.526 0.479 310 HB2 SER 44 1HB SER 44 8.406 20.636 2.800 311 HB3 SER 44 2HB SER 44 8.779 22.143 1.964 312 HG SER 44 HG SER 44 6.666 22.076 1.690 313 H SER 45 H SER 45 11.021 20.011 -0.919 314 HA SER 45 HA SER 45 11.946 21.220 -2.623 315 HB2 SER 45 1HB SER 45 8.986 21.451 -2.999 316 HB3 SER 45 2HB SER 45 10.054 22.361 -4.066 317 HG SER 45 HG SER 45 9.536 19.676 -3.982 318 H GLY 46 H GLY 46 12.087 22.582 -0.206 319 HA2 GLY 46 1HA GLY 46 12.521 25.244 -1.117 320 HA3 GLY 46 2HA GLY 46 11.089 25.161 -0.102 Start of MODEL 15 1 H1 GLY 1 H GLY 1 12.953 -14.156 -2.217 2 HA2 GLY 1 1HA GLY 1 14.763 -16.341 -2.953 3 HA3 GLY 1 2HA GLY 1 13.958 -16.430 -1.393 4 H SER 2 H SER 2 11.911 -17.178 -1.284 5 HA SER 2 HA SER 2 10.840 -18.637 -3.415 6 HB2 SER 2 1HB SER 2 8.752 -18.713 -1.995 7 HB3 SER 2 2HB SER 2 10.226 -19.229 -1.176 8 HG SER 2 HG SER 2 8.582 -17.112 -0.646 9 H SER 3 H SER 3 8.844 -18.319 -4.575 10 HA SER 3 HA SER 3 8.636 -15.656 -5.629 11 HB2 SER 3 1HB SER 3 8.335 -17.981 -6.831 12 HB3 SER 3 2HB SER 3 6.663 -17.808 -6.298 13 HG SER 3 HG SER 3 7.117 -15.524 -7.289 14 H GLY 4 H GLY 4 6.305 -17.860 -4.059 15 HA2 GLY 4 1HA GLY 4 5.224 -16.050 -2.276 16 HA3 GLY 4 2HA GLY 4 4.313 -15.842 -3.764 17 H SER 5 H SER 5 4.182 -17.289 -0.878 18 HA SER 5 HA SER 5 3.237 -19.897 -1.645 19 HB2 SER 5 1HB SER 5 2.641 -20.102 0.770 20 HB3 SER 5 2HB SER 5 4.324 -19.645 0.507 21 HG SER 5 HG SER 5 2.176 -17.940 1.235 22 H SER 6 H SER 6 1.049 -20.650 -0.907 23 HA SER 6 HA SER 6 -0.992 -19.559 -2.294 24 HB2 SER 6 1HB SER 6 -1.172 -20.948 0.388 25 HB3 SER 6 2HB SER 6 -2.555 -20.645 -0.663 26 HG SER 6 HG SER 6 -1.391 -21.864 -2.288 27 H GLY 7 H GLY 7 -0.610 -18.983 1.212 28 HA2 GLY 7 1HA GLY 7 -1.090 -17.135 2.491 29 HA3 GLY 7 2HA GLY 7 -1.038 -16.189 1.011 30 H THR 8 H THR 8 -2.951 -16.933 3.523 31 HA THR 8 HA THR 8 -5.425 -16.761 1.929 32 HB THR 8 HB THR 8 -5.066 -17.864 4.723 33 HG1 THR 8 HG1 THR 8 -4.603 -19.604 3.610 34 HG21 THR 8 3HG2 THR 8 -7.294 -16.656 3.895 35 HG22 THR 8 1HG2 THR 8 -7.328 -18.094 4.914 36 HG23 THR 8 2HG2 THR 8 -7.570 -18.241 3.173 37 H GLY 9 H GLY 9 -6.143 -14.731 1.875 38 HA2 GLY 9 1HA GLY 9 -7.292 -12.950 2.966 39 HA3 GLY 9 2HA GLY 9 -6.352 -13.273 4.416 40 H GLU 10 H GLU 10 -6.522 -11.540 1.447 41 HA GLU 10 HA GLU 10 -4.193 -9.973 2.257 42 HB2 GLU 10 1HB GLU 10 -3.395 -11.657 0.618 43 HB3 GLU 10 2HB GLU 10 -4.551 -11.033 -0.550 44 HG2 GLU 10 1HG GLU 10 -2.417 -10.116 -1.057 45 HG3 GLU 10 2HG GLU 10 -3.423 -8.826 -0.401 46 H LYS 11 H LYS 11 -4.790 -7.922 2.343 47 HA LYS 11 HA LYS 11 -7.182 -7.019 0.995 48 HB2 LYS 11 1HB LYS 11 -5.320 -5.884 3.035 49 HB3 LYS 11 2HB LYS 11 -6.332 -4.777 2.116 50 HG2 LYS 11 1HG LYS 11 -7.430 -5.313 4.174 51 HG3 LYS 11 2HG LYS 11 -8.320 -6.058 2.845 52 HD2 LYS 11 1HD LYS 11 -6.850 -8.135 3.368 53 HD3 LYS 11 2HD LYS 11 -6.589 -7.342 4.923 54 HE2 LYS 11 1HE LYS 11 -8.426 -8.765 5.262 55 HE3 LYS 11 2HE LYS 11 -9.122 -7.156 5.073 56 HZ1 LYS 11 3HZ LYS 11 -8.865 -8.585 2.594 57 HZ2 LYS 11 1HZ LYS 11 -10.199 -7.768 3.238 58 HZ3 LYS 11 2HZ LYS 11 -9.879 -9.363 3.702 59 HA PRO 12 HA PRO 12 -5.390 -5.047 -2.491 60 HB2 PRO 12 1HB PRO 12 -6.845 -2.763 -2.680 61 HB3 PRO 12 2HB PRO 12 -7.504 -4.356 -3.067 62 HG2 PRO 12 1HG PRO 12 -7.801 -2.742 -0.564 63 HG3 PRO 12 2HG PRO 12 -9.026 -3.671 -1.448 64 HD2 PRO 12 1HD PRO 12 -7.815 -4.610 0.785 65 HD3 PRO 12 2HD PRO 12 -8.347 -5.675 -0.532 66 H TYR 13 H TYR 13 -5.200 -3.610 0.589 67 HA TYR 13 HA TYR 13 -3.192 -1.688 -0.392 68 HB2 TYR 13 1HB TYR 13 -4.969 -1.419 2.041 69 HB3 TYR 13 2HB TYR 13 -3.739 -0.265 1.537 70 HD1 TYR 13 HD1 TYR 13 -4.064 1.054 -0.541 71 HD2 TYR 13 HD2 TYR 13 -7.123 -1.457 1.019 72 HE1 TYR 13 HE1 TYR 13 -5.722 2.219 -1.935 73 HE2 TYR 13 HE2 TYR 13 -8.790 -0.300 -0.371 74 HH TYR 13 HH TYR 13 -8.710 2.370 -1.498 75 H LYS 14 H LYS 14 -1.221 -2.377 0.080 76 HA LYS 14 HA LYS 14 -0.674 -3.373 2.776 77 HB2 LYS 14 1HB LYS 14 -0.918 -5.409 1.547 78 HB3 LYS 14 2HB LYS 14 0.046 -4.791 0.211 79 HG2 LYS 14 1HG LYS 14 2.031 -4.805 1.613 80 HG3 LYS 14 2HG LYS 14 1.073 -5.377 2.981 81 HD2 LYS 14 1HD LYS 14 0.833 -7.487 2.104 82 HD3 LYS 14 2HD LYS 14 1.017 -6.932 0.439 83 HE2 LYS 14 1HE LYS 14 3.399 -6.567 0.818 84 HE3 LYS 14 2HE LYS 14 3.222 -7.084 2.494 85 HZ1 LYS 14 3HZ LYS 14 3.902 -8.700 0.459 86 HZ2 LYS 14 1HZ LYS 14 2.235 -8.976 0.550 87 HZ3 LYS 14 2HZ LYS 14 3.209 -9.229 1.909 88 H CYS 15 H CYS 15 1.293 -2.787 3.584 89 HA CYS 15 HA CYS 15 2.702 -0.708 2.187 90 HB2 CYS 15 1HB CYS 15 2.307 -0.675 4.649 91 HB3 CYS 15 2HB CYS 15 3.404 -2.044 4.809 92 H ASN 16 H ASN 16 4.768 -0.746 1.368 93 HA ASN 16 HA ASN 16 5.846 -3.415 0.827 94 HB2 ASN 16 1HB ASN 16 5.331 -1.694 -1.018 95 HB3 ASN 16 2HB ASN 16 6.776 -0.856 -0.460 96 HD21 ASN 16 1HD2 ASN 16 6.908 -1.560 -2.949 97 HD22 ASN 16 2HD2 ASN 16 7.880 -2.966 -3.198 98 H GLU 17 H GLU 17 6.595 -0.397 2.397 99 HA GLU 17 HA GLU 17 9.372 -0.709 2.683 100 HB2 GLU 17 1HB GLU 17 7.296 0.795 4.253 101 HB3 GLU 17 2HB GLU 17 8.978 0.774 4.763 102 HG2 GLU 17 1HG GLU 17 9.477 1.543 2.350 103 HG3 GLU 17 2HG GLU 17 7.768 1.972 2.309 104 H CYS 18 H CYS 18 6.713 -1.582 4.880 105 HA CYS 18 HA CYS 18 8.605 -3.237 6.408 106 HB2 CYS 18 1HB CYS 18 7.006 -3.137 8.244 107 HB3 CYS 18 2HB CYS 18 7.402 -1.510 7.700 108 H GLY 19 H GLY 19 5.416 -3.252 4.871 109 HA2 GLY 19 1HA GLY 19 4.933 -5.299 3.555 110 HA3 GLY 19 2HA GLY 19 5.507 -6.206 4.946 111 H LYS 20 H LYS 20 4.199 -4.457 6.879 112 HA LYS 20 HA LYS 20 1.942 -5.766 7.501 113 HB2 LYS 20 1HB LYS 20 2.768 -2.935 7.892 114 HB3 LYS 20 2HB LYS 20 1.100 -3.348 8.264 115 HG2 LYS 20 1HG LYS 20 1.970 -5.162 9.749 116 HG3 LYS 20 2HG LYS 20 3.590 -4.511 9.486 117 HD2 LYS 20 1HD LYS 20 3.121 -2.544 10.629 118 HD3 LYS 20 2HD LYS 20 1.377 -2.728 10.430 119 HE2 LYS 20 1HE LYS 20 1.477 -4.694 11.953 120 HE3 LYS 20 2HE LYS 20 3.183 -4.343 12.228 121 HZ1 LYS 20 3HZ LYS 20 2.229 -2.000 12.832 122 HZ2 LYS 20 1HZ LYS 20 2.236 -3.250 13.972 123 HZ3 LYS 20 2HZ LYS 20 0.814 -2.876 13.137 124 H VAL 21 H VAL 21 -0.309 -5.520 7.162 125 HA VAL 21 HA VAL 21 -0.983 -4.275 4.576 126 HB VAL 21 HB VAL 21 -2.337 -6.633 5.894 127 HG11 VAL 21 1HG1 VAL 21 -3.825 -5.227 4.516 128 HG12 VAL 21 2HG1 VAL 21 -2.737 -5.455 3.146 129 HG13 VAL 21 3HG1 VAL 21 -3.591 -6.837 3.835 130 HG21 VAL 21 3HG2 VAL 21 -0.112 -7.219 5.096 131 HG22 VAL 21 1HG2 VAL 21 -1.351 -7.959 4.082 132 HG23 VAL 21 2HG2 VAL 21 -0.483 -6.532 3.515 133 H PHE 22 H PHE 22 -3.033 -3.270 4.365 134 HA PHE 22 HA PHE 22 -4.431 -2.675 6.877 135 HB2 PHE 22 1HB PHE 22 -3.649 -0.601 4.816 136 HB3 PHE 22 2HB PHE 22 -4.582 -0.306 6.280 137 HD1 PHE 22 HD1 PHE 22 -1.312 -1.783 5.256 138 HD2 PHE 22 HD2 PHE 22 -3.471 0.529 8.103 139 HE1 PHE 22 HE1 PHE 22 0.773 -1.367 6.494 140 HE2 PHE 22 HE2 PHE 22 -1.389 0.950 9.345 141 HZ PHE 22 HZ PHE 22 0.737 0.002 8.541 142 H ARG 23 H ARG 23 -6.628 -2.065 6.643 143 HA ARG 23 HA ARG 23 -7.974 -3.404 4.530 144 HB2 ARG 23 1HB ARG 23 -9.079 -1.456 6.562 145 HB3 ARG 23 2HB ARG 23 -10.025 -2.554 5.566 146 HG2 ARG 23 1HG ARG 23 -9.366 -4.418 6.759 147 HG3 ARG 23 2HG ARG 23 -7.916 -3.630 7.385 148 HD2 ARG 23 1HD ARG 23 -9.296 -2.198 8.798 149 HD3 ARG 23 2HD ARG 23 -10.753 -2.952 8.153 150 HE ARG 23 HE ARG 23 -9.051 -3.981 10.200 151 HH11 ARG 23 1HH1 ARG 23 -11.185 -4.884 7.602 152 HH12 ARG 23 2HH1 ARG 23 -11.584 -6.423 8.290 153 HH21 ARG 23 1HH2 ARG 23 -9.570 -6.005 11.117 154 HH22 ARG 23 2HH2 ARG 23 -10.666 -7.059 10.290 155 H HIS 24 H HIS 24 -7.677 0.042 5.376 156 HA HIS 24 HA HIS 24 -8.437 0.690 2.602 157 HB2 HIS 24 1HB HIS 24 -9.940 1.431 4.603 158 HB3 HIS 24 2HB HIS 24 -8.698 2.653 4.857 159 HD1 HIS 24 HD1 HIS 24 -9.226 4.786 3.748 160 HD2 HIS 24 HD2 HIS 24 -10.824 1.552 1.687 161 HE1 HIS 24 HE1 HIS 24 -10.466 5.778 1.797 162 H ASN 25 H ASN 25 -7.520 2.802 1.829 163 HA ASN 25 HA ASN 25 -4.688 2.743 2.090 164 HB2 ASN 25 1HB ASN 25 -4.879 4.896 0.685 165 HB3 ASN 25 2HB ASN 25 -5.463 3.396 -0.030 166 HD21 ASN 25 1HD2 ASN 25 -7.761 2.993 0.038 167 HD22 ASN 25 2HD2 ASN 25 -8.858 4.327 0.006 168 H SER 26 H SER 26 -7.185 5.039 3.139 169 HA SER 26 HA SER 26 -5.770 7.098 4.152 170 HB2 SER 26 1HB SER 26 -8.317 6.547 4.323 171 HB3 SER 26 2HB SER 26 -7.888 5.883 5.899 172 HG SER 26 HG SER 26 -8.210 7.919 6.434 173 H TYR 27 H TYR 27 -6.394 4.072 5.924 174 HA TYR 27 HA TYR 27 -4.881 4.725 8.198 175 HB2 TYR 27 1HB TYR 27 -5.422 1.968 7.075 176 HB3 TYR 27 2HB TYR 27 -4.968 2.350 8.732 177 HD1 TYR 27 HD2 TYR 27 -6.581 3.788 10.102 178 HD2 TYR 27 HD1 TYR 27 -7.675 1.919 6.439 179 HE1 TYR 27 HE2 TYR 27 -8.954 4.006 10.706 180 HE2 TYR 27 HE1 TYR 27 -10.052 2.134 7.033 181 HH TYR 27 HH TYR 27 -11.467 3.538 8.486 182 H LEU 28 H LEU 28 -4.013 2.997 5.229 183 HA LEU 28 HA LEU 28 -1.414 2.259 5.956 184 HB2 LEU 28 1HB LEU 28 -2.380 1.262 4.042 185 HB3 LEU 28 2HB LEU 28 -2.686 2.827 3.293 186 HG LEU 28 HG LEU 28 -0.256 3.124 2.985 187 HD11 LEU 28 1HD1 LEU 28 0.827 0.625 3.200 188 HD12 LEU 28 2HD1 LEU 28 -0.196 0.713 4.633 189 HD13 LEU 28 3HD1 LEU 28 1.045 1.936 4.360 190 HD21 LEU 28 3HD2 LEU 28 -1.997 1.436 1.580 191 HD22 LEU 28 1HD2 LEU 28 -0.456 0.583 1.663 192 HD23 LEU 28 2HD2 LEU 28 -0.528 2.208 0.982 193 H SER 29 H SER 29 -2.405 5.006 3.902 194 HA SER 29 HA SER 29 -0.020 6.252 3.533 195 HB2 SER 29 1HB SER 29 -2.759 7.418 4.008 196 HB3 SER 29 2HB SER 29 -1.371 8.441 3.639 197 HG SER 29 HG SER 29 -2.612 7.778 1.779 198 H ARG 30 H ARG 30 -2.177 6.807 6.316 199 HA ARG 30 HA ARG 30 -0.545 8.594 7.694 200 HB2 ARG 30 1HB ARG 30 -2.676 6.665 8.555 201 HB3 ARG 30 2HB ARG 30 -1.774 7.580 9.756 202 HG2 ARG 30 1HG ARG 30 -2.729 9.562 9.172 203 HG3 ARG 30 2HG ARG 30 -2.976 9.075 7.494 204 HD2 ARG 30 1HD ARG 30 -4.954 8.025 7.946 205 HD3 ARG 30 2HD ARG 30 -4.489 7.627 9.599 206 HE ARG 30 HE ARG 30 -5.762 10.058 8.680 207 HH11 ARG 30 1HH1 ARG 30 -4.009 8.468 11.233 208 HH12 ARG 30 2HH1 ARG 30 -4.555 9.558 12.464 209 HH21 ARG 30 1HH2 ARG 30 -6.488 11.499 10.292 210 HH22 ARG 30 2HH2 ARG 30 -5.965 11.281 11.928 211 H HIS 31 H HIS 31 -0.604 5.062 7.732 212 HA HIS 31 HA HIS 31 1.226 4.692 9.840 213 HB2 HIS 31 1HB HIS 31 0.111 2.740 9.348 214 HB3 HIS 31 2HB HIS 31 0.189 3.007 7.609 215 HD1 HIS 31 HD1 HIS 31 2.392 1.894 10.478 216 HD2 HIS 31 HD2 HIS 31 2.216 1.690 6.333 217 HE1 HIS 31 HE1 HIS 31 4.247 0.336 9.803 218 H GLN 32 H GLN 32 1.778 4.432 6.322 219 HA GLN 32 HA GLN 32 4.418 3.996 6.160 220 HB2 GLN 32 1HB GLN 32 2.964 6.115 4.566 221 HB3 GLN 32 2HB GLN 32 4.478 5.344 4.109 222 HG2 GLN 32 1HG GLN 32 3.041 3.152 4.352 223 HG3 GLN 32 2HG GLN 32 1.710 4.272 4.064 224 HE21 GLN 32 1HE2 GLN 32 4.810 3.192 2.768 225 HE22 GLN 32 2HE2 GLN 32 4.420 3.477 1.109 226 H ARG 33 H ARG 33 2.934 6.892 7.380 227 HA ARG 33 HA ARG 33 4.918 8.772 7.200 228 HB2 ARG 33 1HB ARG 33 3.182 8.258 9.623 229 HB3 ARG 33 2HB ARG 33 4.015 9.761 9.250 230 HG2 ARG 33 1HG ARG 33 2.058 8.618 7.307 231 HG3 ARG 33 2HG ARG 33 1.494 9.519 8.715 232 HD2 ARG 33 1HD ARG 33 1.665 11.160 7.083 233 HD3 ARG 33 2HD ARG 33 3.187 11.313 7.960 234 HE ARG 33 HE ARG 33 4.313 10.576 6.092 235 HH11 ARG 33 1HH1 ARG 33 0.889 10.106 5.675 236 HH12 ARG 33 2HH1 ARG 33 1.015 9.723 3.990 237 HH21 ARG 33 1HH2 ARG 33 4.491 10.073 3.874 238 HH22 ARG 33 2HH2 ARG 33 3.064 9.703 2.967 239 H ILE 34 H ILE 34 4.583 6.281 9.717 240 HA ILE 34 HA ILE 34 6.712 6.919 11.332 241 HB ILE 34 HB ILE 34 6.802 4.611 12.022 242 HG12 ILE 34 1HG1 ILE 34 4.882 3.751 9.903 243 HG13 ILE 34 2HG1 ILE 34 6.584 3.890 9.477 244 HG21 ILE 34 1HG2 ILE 34 4.049 4.332 11.820 245 HG22 ILE 34 2HG2 ILE 34 4.935 5.157 13.102 246 HG23 ILE 34 3HG2 ILE 34 4.323 6.072 11.724 247 HD11 ILE 34 3HD1 ILE 34 6.913 1.873 10.307 248 HD12 ILE 34 1HD1 ILE 34 6.475 2.479 11.904 249 HD13 ILE 34 2HD1 ILE 34 5.238 1.791 10.852 250 H HIS 35 H HIS 35 6.768 5.634 8.121 251 HA HIS 35 HA HIS 35 9.522 4.764 8.261 252 HB2 HIS 35 1HB HIS 35 7.647 5.046 5.903 253 HB3 HIS 35 2HB HIS 35 9.251 4.323 5.836 254 HD1 HIS 35 HD1 HIS 35 9.144 2.542 8.329 255 HD2 HIS 35 HD2 HIS 35 6.050 2.871 5.576 256 HE1 HIS 35 HE1 HIS 35 7.802 0.428 8.570 257 H THR 36 H THR 36 7.711 7.423 6.769 258 HA THR 36 HA THR 36 10.107 8.668 5.754 259 HB THR 36 HB THR 36 8.565 10.540 5.124 260 HG1 THR 36 HG1 THR 36 6.875 10.467 6.484 261 HG21 THR 36 3HG2 THR 36 8.143 9.455 3.211 262 HG22 THR 36 1HG2 THR 36 7.111 8.273 4.016 263 HG23 THR 36 2HG2 THR 36 8.859 8.040 3.982 264 H GLY 37 H GLY 37 10.332 8.295 8.494 265 HA2 GLY 37 1HA GLY 37 9.552 10.542 10.029 266 HA3 GLY 37 2HA GLY 37 10.819 9.399 10.449 267 H GLU 38 H GLU 38 12.773 10.246 10.648 268 HA GLU 38 HA GLU 38 13.303 12.879 9.519 269 HB2 GLU 38 1HB GLU 38 13.826 12.285 11.920 270 HB3 GLU 38 2HB GLU 38 15.099 11.239 11.307 271 HG2 GLU 38 1HG GLU 38 15.880 13.403 10.074 272 HG3 GLU 38 2HG GLU 38 14.928 14.212 11.317 273 H LYS 39 H LYS 39 13.182 11.529 7.376 274 HA LYS 39 HA LYS 39 15.900 10.609 6.710 275 HB2 LYS 39 1HB LYS 39 14.095 8.907 6.475 276 HB3 LYS 39 2HB LYS 39 13.318 9.943 5.285 277 HG2 LYS 39 1HG LYS 39 14.463 8.457 3.957 278 HG3 LYS 39 2HG LYS 39 15.598 9.806 4.054 279 HD2 LYS 39 1HD LYS 39 16.993 8.033 4.496 280 HD3 LYS 39 2HD LYS 39 16.506 8.486 6.131 281 HE2 LYS 39 1HE LYS 39 14.972 6.435 4.575 282 HE3 LYS 39 2HE LYS 39 16.436 5.995 5.451 283 HZ1 LYS 39 3HZ LYS 39 14.956 5.659 7.100 284 HZ2 LYS 39 1HZ LYS 39 13.816 6.739 6.471 285 HZ3 LYS 39 2HZ LYS 39 15.144 7.322 7.341 286 HA PRO 40 HA PRO 40 15.394 14.597 4.468 287 HB2 PRO 40 1HB PRO 40 17.999 15.314 4.726 288 HB3 PRO 40 2HB PRO 40 16.788 15.631 5.973 289 HG2 PRO 40 1HG PRO 40 18.810 13.429 5.812 290 HG3 PRO 40 2HG PRO 40 18.334 14.411 7.210 291 HD2 PRO 40 1HD PRO 40 17.404 11.900 6.809 292 HD3 PRO 40 2HD PRO 40 16.438 13.161 7.602 293 H SER 41 H SER 41 17.647 11.935 4.163 294 HA SER 41 HA SER 41 18.613 12.713 1.573 295 HB2 SER 41 1HB SER 41 19.754 11.198 3.374 296 HB3 SER 41 2HB SER 41 18.807 9.911 2.630 297 HG SER 41 HG SER 41 20.872 11.468 1.532 298 H GLY 42 H GLY 42 18.061 11.883 -0.423 299 HA2 GLY 42 1HA GLY 42 16.847 9.982 -1.558 300 HA3 GLY 42 2HA GLY 42 15.516 10.385 -0.483 301 HA PRO 43 HA PRO 43 15.933 14.096 -3.564 302 HB2 PRO 43 1HB PRO 43 17.618 13.743 -5.662 303 HB3 PRO 43 2HB PRO 43 18.131 14.453 -4.127 304 HG2 PRO 43 1HG PRO 43 18.468 11.650 -5.123 305 HG3 PRO 43 2HG PRO 43 19.633 12.685 -4.277 306 HD2 PRO 43 1HD PRO 43 18.226 10.744 -3.019 307 HD3 PRO 43 2HD PRO 43 18.712 12.248 -2.210 308 H SER 44 H SER 44 13.854 13.089 -3.939 309 HA SER 44 HA SER 44 13.526 11.209 -6.081 310 HB2 SER 44 1HB SER 44 11.676 12.705 -4.260 311 HB3 SER 44 2HB SER 44 11.026 11.936 -5.708 312 HG SER 44 HG SER 44 10.961 10.526 -3.921 313 H SER 45 H SER 45 14.120 11.963 -8.042 314 HA SER 45 HA SER 45 14.014 14.516 -9.035 315 HB2 SER 45 1HB SER 45 15.017 12.438 -10.125 316 HB3 SER 45 2HB SER 45 13.399 12.101 -10.741 317 HG SER 45 HG SER 45 14.573 13.280 -12.264 318 H GLY 46 H GLY 46 12.554 15.086 -11.054 319 HA2 GLY 46 1HA GLY 46 10.453 15.542 -11.903 320 HA3 GLY 46 2HA GLY 46 9.803 14.285 -10.861 Start of MODEL 16 1 H1 GLY 1 H GLY 1 12.888 -18.654 13.528 2 HA2 GLY 1 1HA GLY 1 12.242 -19.344 11.362 3 HA3 GLY 1 2HA GLY 1 12.192 -21.006 11.932 4 H SER 2 H SER 2 10.203 -19.412 10.432 5 HA SER 2 HA SER 2 8.037 -18.839 12.205 6 HB2 SER 2 1HB SER 2 8.212 -19.140 9.205 7 HB3 SER 2 2HB SER 2 6.704 -18.764 10.038 8 HG SER 2 HG SER 2 7.712 -16.892 10.864 9 H SER 3 H SER 3 5.812 -19.921 11.531 10 HA SER 3 HA SER 3 6.209 -22.806 11.910 11 HB2 SER 3 1HB SER 3 4.141 -20.861 12.814 12 HB3 SER 3 2HB SER 3 3.623 -22.518 12.509 13 HG SER 3 HG SER 3 5.819 -22.747 13.875 14 H GLY 4 H GLY 4 4.081 -20.521 10.193 15 HA2 GLY 4 1HA GLY 4 4.168 -21.475 7.684 16 HA3 GLY 4 2HA GLY 4 3.102 -22.634 8.463 17 H SER 5 H SER 5 1.959 -21.425 6.464 18 HA SER 5 HA SER 5 0.546 -19.062 7.470 19 HB2 SER 5 1HB SER 5 0.731 -20.275 4.705 20 HB3 SER 5 2HB SER 5 -0.307 -18.906 5.104 21 HG SER 5 HG SER 5 2.145 -18.749 4.361 22 H SER 6 H SER 6 -1.485 -19.169 8.170 23 HA SER 6 HA SER 6 -2.828 -21.695 8.309 24 HB2 SER 6 1HB SER 6 -2.874 -19.736 10.016 25 HB3 SER 6 2HB SER 6 -4.127 -19.065 8.972 26 HG SER 6 HG SER 6 -4.946 -21.431 9.246 27 H GLY 7 H GLY 7 -3.441 -18.627 6.623 28 HA2 GLY 7 1HA GLY 7 -4.213 -18.900 4.272 29 HA3 GLY 7 2HA GLY 7 -5.350 -20.085 4.899 30 H THR 8 H THR 8 -4.580 -16.690 4.647 31 HA THR 8 HA THR 8 -7.373 -16.072 5.317 32 HB THR 8 HB THR 8 -6.046 -15.494 7.288 33 HG1 THR 8 HG1 THR 8 -6.639 -13.233 7.321 34 HG21 THR 8 3HG2 THR 8 -4.558 -13.500 5.596 35 HG22 THR 8 1HG2 THR 8 -3.921 -15.108 5.933 36 HG23 THR 8 2HG2 THR 8 -4.230 -13.986 7.259 37 H GLY 9 H GLY 9 -8.141 -14.039 4.426 38 HA2 GLY 9 1HA GLY 9 -7.394 -13.691 1.729 39 HA3 GLY 9 2HA GLY 9 -8.457 -12.630 2.641 40 H GLU 10 H GLU 10 -6.837 -11.529 0.773 41 HA GLU 10 HA GLU 10 -4.827 -10.140 2.418 42 HB2 GLU 10 1HB GLU 10 -4.594 -10.994 -0.470 43 HB3 GLU 10 2HB GLU 10 -3.492 -9.864 0.305 44 HG2 GLU 10 1HG GLU 10 -2.550 -11.488 1.644 45 HG3 GLU 10 2HG GLU 10 -3.946 -12.555 1.509 46 H LYS 11 H LYS 11 -5.004 -7.991 2.471 47 HA LYS 11 HA LYS 11 -7.170 -6.710 1.096 48 HB2 LYS 11 1HB LYS 11 -4.985 -5.370 2.690 49 HB3 LYS 11 2HB LYS 11 -6.597 -4.754 2.352 50 HG2 LYS 11 1HG LYS 11 -6.369 -7.321 3.824 51 HG3 LYS 11 2HG LYS 11 -5.970 -5.829 4.678 52 HD2 LYS 11 1HD LYS 11 -8.211 -5.941 5.119 53 HD3 LYS 11 2HD LYS 11 -8.251 -5.026 3.610 54 HE2 LYS 11 1HE LYS 11 -9.905 -6.807 3.577 55 HE3 LYS 11 2HE LYS 11 -8.654 -7.100 2.370 56 HZ1 LYS 11 3HZ LYS 11 -8.676 -8.347 5.063 57 HZ2 LYS 11 1HZ LYS 11 -7.648 -8.721 3.773 58 HZ3 LYS 11 2HZ LYS 11 -9.295 -9.090 3.675 59 HA PRO 12 HA PRO 12 -5.103 -5.185 -2.467 60 HB2 PRO 12 1HB PRO 12 -6.416 -2.841 -2.854 61 HB3 PRO 12 2HB PRO 12 -7.151 -4.417 -3.171 62 HG2 PRO 12 1HG PRO 12 -7.449 -2.633 -0.785 63 HG3 PRO 12 2HG PRO 12 -8.690 -3.548 -1.661 64 HD2 PRO 12 1HD PRO 12 -7.621 -4.409 0.673 65 HD3 PRO 12 2HD PRO 12 -8.163 -5.524 -0.598 66 H TYR 13 H TYR 13 -4.869 -3.656 0.536 67 HA TYR 13 HA TYR 13 -2.782 -1.842 -0.486 68 HB2 TYR 13 1HB TYR 13 -4.492 -1.434 1.975 69 HB3 TYR 13 2HB TYR 13 -3.275 -0.324 1.353 70 HD1 TYR 13 HD1 TYR 13 -3.698 0.960 -0.699 71 HD2 TYR 13 HD2 TYR 13 -6.679 -1.568 0.983 72 HE1 TYR 13 HE1 TYR 13 -5.408 2.073 -2.072 73 HE2 TYR 13 HE2 TYR 13 -8.397 -0.462 -0.387 74 HH TYR 13 HH TYR 13 -8.298 0.877 -2.736 75 H LYS 14 H LYS 14 -0.879 -2.751 -0.062 76 HA LYS 14 HA LYS 14 -0.389 -3.725 2.668 77 HB2 LYS 14 1HB LYS 14 -0.624 -5.716 1.364 78 HB3 LYS 14 2HB LYS 14 0.387 -5.068 0.079 79 HG2 LYS 14 1HG LYS 14 2.194 -4.974 1.979 80 HG3 LYS 14 2HG LYS 14 1.164 -6.203 2.716 81 HD2 LYS 14 1HD LYS 14 1.330 -7.554 0.675 82 HD3 LYS 14 2HD LYS 14 2.374 -6.327 -0.047 83 HE2 LYS 14 1HE LYS 14 3.144 -7.449 2.596 84 HE3 LYS 14 2HE LYS 14 3.356 -8.465 1.171 85 HZ1 LYS 14 3HZ LYS 14 4.602 -6.557 0.174 86 HZ2 LYS 14 1HZ LYS 14 5.363 -7.290 1.495 87 HZ3 LYS 14 2HZ LYS 14 4.567 -5.811 1.692 88 H CYS 15 H CYS 15 1.196 -2.617 3.586 89 HA CYS 15 HA CYS 15 2.780 -0.733 2.238 90 HB2 CYS 15 1HB CYS 15 2.212 -0.775 4.708 91 HB3 CYS 15 2HB CYS 15 3.457 -2.007 4.891 92 H ASN 16 H ASN 16 4.929 -0.726 1.611 93 HA ASN 16 HA ASN 16 6.073 -3.386 1.143 94 HB2 ASN 16 1HB ASN 16 6.312 -0.745 -0.246 95 HB3 ASN 16 2HB ASN 16 7.617 -1.917 -0.403 96 HD21 ASN 16 1HD2 ASN 16 7.144 -3.966 -1.329 97 HD22 ASN 16 2HD2 ASN 16 5.813 -4.151 -2.415 98 H GLU 17 H GLU 17 6.771 -0.247 2.557 99 HA GLU 17 HA GLU 17 9.481 -0.474 3.051 100 HB2 GLU 17 1HB GLU 17 7.334 0.798 4.755 101 HB3 GLU 17 2HB GLU 17 9.058 1.016 5.020 102 HG2 GLU 17 1HG GLU 17 7.890 1.638 2.349 103 HG3 GLU 17 2HG GLU 17 7.699 2.779 3.678 104 H CYS 18 H CYS 18 6.818 -1.455 5.209 105 HA CYS 18 HA CYS 18 8.728 -3.040 6.770 106 HB2 CYS 18 1HB CYS 18 6.984 -3.141 8.482 107 HB3 CYS 18 2HB CYS 18 7.304 -1.472 8.021 108 H GLY 19 H GLY 19 5.767 -3.298 4.881 109 HA2 GLY 19 1HA GLY 19 5.292 -5.238 3.575 110 HA3 GLY 19 2HA GLY 19 6.215 -6.197 4.722 111 H LYS 20 H LYS 20 3.823 -3.825 5.681 112 HA LYS 20 HA LYS 20 2.271 -5.975 6.919 113 HB2 LYS 20 1HB LYS 20 2.619 -3.061 7.433 114 HB3 LYS 20 2HB LYS 20 1.084 -3.793 7.882 115 HG2 LYS 20 1HG LYS 20 2.070 -5.192 9.457 116 HG3 LYS 20 2HG LYS 20 3.680 -4.999 8.760 117 HD2 LYS 20 1HD LYS 20 3.805 -2.729 9.547 118 HD3 LYS 20 2HD LYS 20 2.129 -2.784 10.099 119 HE2 LYS 20 1HE LYS 20 2.659 -4.340 11.814 120 HE3 LYS 20 2HE LYS 20 4.268 -4.623 11.151 121 HZ1 LYS 20 3HZ LYS 20 4.089 -3.110 13.160 122 HZ2 LYS 20 1HZ LYS 20 3.432 -1.955 12.112 123 HZ3 LYS 20 2HZ LYS 20 4.999 -2.536 11.854 124 H VAL 21 H VAL 21 -0.201 -5.208 7.097 125 HA VAL 21 HA VAL 21 -1.122 -4.340 4.449 126 HB VAL 21 HB VAL 21 -2.321 -6.718 5.867 127 HG11 VAL 21 1HG1 VAL 21 -3.010 -6.939 3.269 128 HG12 VAL 21 2HG1 VAL 21 -3.997 -6.120 4.481 129 HG13 VAL 21 3HG1 VAL 21 -2.934 -5.185 3.428 130 HG21 VAL 21 3HG2 VAL 21 -1.087 -7.503 3.452 131 HG22 VAL 21 1HG2 VAL 21 0.104 -6.580 4.369 132 HG23 VAL 21 2HG2 VAL 21 -0.670 -7.988 5.095 133 H PHE 22 H PHE 22 -3.221 -3.445 4.405 134 HA PHE 22 HA PHE 22 -4.504 -2.986 7.000 135 HB2 PHE 22 1HB PHE 22 -3.953 -0.778 5.008 136 HB3 PHE 22 2HB PHE 22 -4.744 -0.609 6.571 137 HD1 PHE 22 HD1 PHE 22 -1.533 -1.397 4.923 138 HD2 PHE 22 HD2 PHE 22 -3.495 -0.321 8.543 139 HE1 PHE 22 HE1 PHE 22 0.649 -0.964 5.973 140 HE2 PHE 22 HE2 PHE 22 -1.316 0.115 9.599 141 HZ PHE 22 HZ PHE 22 0.760 -0.206 8.313 142 H ARG 23 H ARG 23 -6.660 -1.730 6.584 143 HA ARG 23 HA ARG 23 -8.105 -3.283 4.594 144 HB2 ARG 23 1HB ARG 23 -8.909 -1.590 6.938 145 HB3 ARG 23 2HB ARG 23 -10.094 -2.034 5.717 146 HG2 ARG 23 1HG ARG 23 -9.371 -4.442 6.130 147 HG3 ARG 23 2HG ARG 23 -8.566 -3.823 7.574 148 HD2 ARG 23 1HD ARG 23 -10.741 -2.851 8.291 149 HD3 ARG 23 2HD ARG 23 -11.501 -3.641 6.911 150 HE ARG 23 HE ARG 23 -10.275 -5.686 8.170 151 HH11 ARG 23 1HH1 ARG 23 -12.423 -3.174 9.262 152 HH12 ARG 23 2HH1 ARG 23 -13.122 -4.139 10.520 153 HH21 ARG 23 1HH2 ARG 23 -11.187 -6.967 9.822 154 HH22 ARG 23 2HH2 ARG 23 -12.418 -6.296 10.839 155 H HIS 24 H HIS 24 -7.972 0.150 5.563 156 HA HIS 24 HA HIS 24 -8.734 0.862 2.810 157 HB2 HIS 24 1HB HIS 24 -10.101 1.577 4.954 158 HB3 HIS 24 2HB HIS 24 -8.869 2.830 5.057 159 HD1 HIS 24 HD1 HIS 24 -8.934 4.701 3.307 160 HD2 HIS 24 HD2 HIS 24 -11.858 1.801 2.760 161 HE1 HIS 24 HE1 HIS 24 -10.521 5.659 1.608 162 H ASN 25 H ASN 25 -7.712 2.705 1.834 163 HA ASN 25 HA ASN 25 -4.903 2.715 2.161 164 HB2 ASN 25 1HB ASN 25 -4.835 4.068 0.291 165 HB3 ASN 25 2HB ASN 25 -6.415 3.317 0.089 166 HD21 ASN 25 1HD2 ASN 25 -4.698 6.216 0.470 167 HD22 ASN 25 2HD2 ASN 25 -6.051 7.289 0.533 168 H SER 26 H SER 26 -7.318 5.268 2.771 169 HA SER 26 HA SER 26 -5.899 7.318 3.706 170 HB2 SER 26 1HB SER 26 -8.416 7.068 3.780 171 HB3 SER 26 2HB SER 26 -8.214 6.229 5.318 172 HG SER 26 HG SER 26 -6.907 8.270 5.816 173 H TYR 27 H TYR 27 -6.673 4.477 5.706 174 HA TYR 27 HA TYR 27 -5.256 5.298 7.987 175 HB2 TYR 27 1HB TYR 27 -5.650 2.424 7.164 176 HB3 TYR 27 2HB TYR 27 -5.533 3.079 8.793 177 HD1 TYR 27 HD2 TYR 27 -7.401 5.259 8.855 178 HD2 TYR 27 HD1 TYR 27 -7.750 1.511 6.872 179 HE1 TYR 27 HE2 TYR 27 -9.851 5.437 8.962 180 HE2 TYR 27 HE1 TYR 27 -10.202 1.679 6.973 181 HH TYR 27 HH TYR 27 -11.867 3.203 8.809 182 H LEU 28 H LEU 28 -4.289 3.242 5.260 183 HA LEU 28 HA LEU 28 -1.767 2.496 6.124 184 HB2 LEU 28 1HB LEU 28 -2.649 1.494 4.173 185 HB3 LEU 28 2HB LEU 28 -2.844 3.053 3.374 186 HG LEU 28 HG LEU 28 -0.357 3.237 3.282 187 HD11 LEU 28 1HD1 LEU 28 0.337 1.813 5.043 188 HD12 LEU 28 2HD1 LEU 28 0.883 1.065 3.543 189 HD13 LEU 28 3HD1 LEU 28 -0.542 0.439 4.372 190 HD21 LEU 28 3HD2 LEU 28 -0.603 0.797 1.820 191 HD22 LEU 28 1HD2 LEU 28 -0.597 2.456 1.221 192 HD23 LEU 28 2HD2 LEU 28 -2.115 1.699 1.703 193 H SER 29 H SER 29 -2.728 5.417 4.353 194 HA SER 29 HA SER 29 -0.279 6.553 3.859 195 HB2 SER 29 1HB SER 29 -2.706 7.404 3.360 196 HB3 SER 29 2HB SER 29 -2.508 8.286 4.874 197 HG SER 29 HG SER 29 -0.832 8.443 2.587 198 H ARG 30 H ARG 30 -2.227 6.923 6.816 199 HA ARG 30 HA ARG 30 -0.468 8.569 8.219 200 HB2 ARG 30 1HB ARG 30 -2.535 6.574 9.108 201 HB3 ARG 30 2HB ARG 30 -1.575 7.475 10.274 202 HG2 ARG 30 1HG ARG 30 -2.446 9.556 9.485 203 HG3 ARG 30 2HG ARG 30 -3.261 8.757 8.139 204 HD2 ARG 30 1HD ARG 30 -4.416 7.391 10.053 205 HD3 ARG 30 2HD ARG 30 -3.949 8.774 11.042 206 HE ARG 30 HE ARG 30 -6.021 8.685 9.062 207 HH11 ARG 30 1HH1 ARG 30 -3.765 10.746 10.731 208 HH12 ARG 30 2HH1 ARG 30 -4.704 12.183 10.497 209 HH21 ARG 30 1HH2 ARG 30 -7.267 10.570 8.749 210 HH22 ARG 30 2HH2 ARG 30 -6.696 12.082 9.371 211 H HIS 31 H HIS 31 -0.665 5.031 8.095 212 HA HIS 31 HA HIS 31 1.350 4.501 9.981 213 HB2 HIS 31 1HB HIS 31 0.091 2.625 9.501 214 HB3 HIS 31 2HB HIS 31 0.066 2.954 7.771 215 HD1 HIS 31 HD1 HIS 31 2.320 1.552 10.453 216 HD2 HIS 31 HD2 HIS 31 2.029 1.698 6.311 217 HE1 HIS 31 HE1 HIS 31 4.078 -0.030 9.600 218 H GLN 32 H GLN 32 1.574 4.296 6.423 219 HA GLN 32 HA GLN 32 4.177 3.817 6.019 220 HB2 GLN 32 1HB GLN 32 2.350 5.737 4.611 221 HB3 GLN 32 2HB GLN 32 4.018 5.548 4.087 222 HG2 GLN 32 1HG GLN 32 2.303 3.134 4.419 223 HG3 GLN 32 2HG GLN 32 2.118 4.149 2.989 224 HE21 GLN 32 1HE2 GLN 32 2.852 2.518 1.630 225 HE22 GLN 32 2HE2 GLN 32 4.517 2.063 1.556 226 H ARG 33 H ARG 33 2.866 6.743 7.373 227 HA ARG 33 HA ARG 33 4.854 8.585 7.047 228 HB2 ARG 33 1HB ARG 33 3.354 8.046 9.617 229 HB3 ARG 33 2HB ARG 33 4.183 9.542 9.203 230 HG2 ARG 33 1HG ARG 33 2.077 8.536 7.363 231 HG3 ARG 33 2HG ARG 33 1.589 9.277 8.889 232 HD2 ARG 33 1HD ARG 33 2.367 11.343 8.294 233 HD3 ARG 33 2HD ARG 33 3.613 10.687 7.233 234 HE ARG 33 HE ARG 33 0.890 10.309 6.329 235 HH11 ARG 33 1HH1 ARG 33 3.743 12.302 6.241 236 HH12 ARG 33 2HH1 ARG 33 3.319 13.069 4.746 237 HH21 ARG 33 1HH2 ARG 33 0.321 11.311 4.361 238 HH22 ARG 33 2HH2 ARG 33 1.372 12.506 3.679 239 H ILE 34 H ILE 34 4.724 6.101 9.595 240 HA ILE 34 HA ILE 34 6.979 6.643 11.013 241 HB ILE 34 HB ILE 34 7.155 4.310 11.574 242 HG12 ILE 34 1HG1 ILE 34 5.161 3.597 9.441 243 HG13 ILE 34 2HG1 ILE 34 6.883 3.635 9.078 244 HG21 ILE 34 1HG2 ILE 34 4.413 3.953 11.556 245 HG22 ILE 34 2HG2 ILE 34 5.354 4.774 12.800 246 HG23 ILE 34 3HG2 ILE 34 4.614 5.704 11.498 247 HD11 ILE 34 3HD1 ILE 34 5.386 1.549 10.223 248 HD12 ILE 34 1HD1 ILE 34 7.122 1.610 9.923 249 HD13 ILE 34 2HD1 ILE 34 6.475 2.149 11.473 250 H HIS 35 H HIS 35 6.796 5.442 7.757 251 HA HIS 35 HA HIS 35 9.635 4.806 7.671 252 HB2 HIS 35 1HB HIS 35 7.546 4.709 5.484 253 HB3 HIS 35 2HB HIS 35 9.192 4.095 5.361 254 HD1 HIS 35 HD1 HIS 35 9.655 2.275 7.528 255 HD2 HIS 35 HD2 HIS 35 5.832 2.689 5.954 256 HE1 HIS 35 HE1 HIS 35 8.429 0.178 8.179 257 H THR 36 H THR 36 7.430 6.895 5.797 258 HA THR 36 HA THR 36 9.187 8.308 4.291 259 HB THR 36 HB THR 36 7.650 10.208 4.342 260 HG1 THR 36 HG1 THR 36 5.896 10.177 5.817 261 HG21 THR 36 3HG2 THR 36 5.597 8.166 4.457 262 HG22 THR 36 1HG2 THR 36 7.022 7.606 3.584 263 HG23 THR 36 2HG2 THR 36 6.198 9.079 3.073 264 H GLY 37 H GLY 37 8.339 9.028 7.671 265 HA2 GLY 37 1HA GLY 37 9.617 11.336 8.197 266 HA3 GLY 37 2HA GLY 37 9.674 9.979 9.312 267 H GLU 38 H GLU 38 11.331 8.212 8.409 268 HA GLU 38 HA GLU 38 13.883 9.378 8.686 269 HB2 GLU 38 1HB GLU 38 13.349 7.061 9.360 270 HB3 GLU 38 2HB GLU 38 13.172 6.622 7.667 271 HG2 GLU 38 1HG GLU 38 15.727 7.822 8.632 272 HG3 GLU 38 2HG GLU 38 15.386 6.116 8.918 273 H LYS 39 H LYS 39 14.217 10.915 7.092 274 HA LYS 39 HA LYS 39 15.133 9.866 4.559 275 HB2 LYS 39 1HB LYS 39 13.731 11.156 3.141 276 HB3 LYS 39 2HB LYS 39 12.664 10.329 4.269 277 HG2 LYS 39 1HG LYS 39 12.275 12.303 5.502 278 HG3 LYS 39 2HG LYS 39 13.598 13.152 4.698 279 HD2 LYS 39 1HD LYS 39 11.192 12.118 3.214 280 HD3 LYS 39 2HD LYS 39 11.247 13.730 3.933 281 HE2 LYS 39 1HE LYS 39 13.177 14.295 2.576 282 HE3 LYS 39 2HE LYS 39 13.214 12.665 1.908 283 HZ1 LYS 39 3HZ LYS 39 11.044 13.063 0.919 284 HZ2 LYS 39 1HZ LYS 39 12.164 14.215 0.388 285 HZ3 LYS 39 2HZ LYS 39 11.014 14.629 1.557 286 HA PRO 40 HA PRO 40 18.067 13.106 4.979 287 HB2 PRO 40 1HB PRO 40 18.720 13.543 2.380 288 HB3 PRO 40 2HB PRO 40 19.231 12.104 3.270 289 HG2 PRO 40 1HG PRO 40 16.958 12.436 1.351 290 HG3 PRO 40 2HG PRO 40 18.122 11.105 1.487 291 HD2 PRO 40 1HD PRO 40 15.614 10.956 2.497 292 HD3 PRO 40 2HD PRO 40 16.996 10.134 3.249 293 H SER 41 H SER 41 18.659 15.282 3.738 294 HA SER 41 HA SER 41 16.429 16.747 2.688 295 HB2 SER 41 1HB SER 41 17.352 17.230 5.519 296 HB3 SER 41 2HB SER 41 16.545 18.481 4.574 297 HG SER 41 HG SER 41 14.742 17.169 4.423 298 H GLY 42 H GLY 42 17.011 18.847 1.937 299 HA2 GLY 42 1HA GLY 42 19.267 20.300 2.289 300 HA3 GLY 42 2HA GLY 42 19.803 19.020 1.211 301 HA PRO 43 HA PRO 43 18.507 21.507 -2.169 302 HB2 PRO 43 1HB PRO 43 18.243 19.577 -4.060 303 HB3 PRO 43 2HB PRO 43 19.813 20.146 -3.481 304 HG2 PRO 43 1HG PRO 43 18.279 17.698 -2.696 305 HG3 PRO 43 2HG PRO 43 20.012 17.874 -3.026 306 HD2 PRO 43 1HD PRO 43 19.008 17.792 -0.512 307 HD3 PRO 43 2HD PRO 43 20.450 18.738 -0.934 308 H SER 44 H SER 44 16.446 22.078 -1.214 309 HA SER 44 HA SER 44 14.231 21.046 -2.758 310 HB2 SER 44 1HB SER 44 14.473 20.597 0.201 311 HB3 SER 44 2HB SER 44 12.883 20.815 -0.530 312 HG SER 44 HG SER 44 13.004 18.829 -1.169 313 H SER 45 H SER 45 12.664 22.549 -3.075 314 HA SER 45 HA SER 45 12.418 24.851 -1.344 315 HB2 SER 45 1HB SER 45 12.842 26.497 -3.138 316 HB3 SER 45 2HB SER 45 14.281 25.549 -2.769 317 HG SER 45 HG SER 45 12.580 24.628 -4.783 318 H GLY 46 H GLY 46 10.622 26.270 -1.999 319 HA2 GLY 46 1HA GLY 46 8.780 25.167 -3.974 320 HA3 GLY 46 2HA GLY 46 8.232 25.152 -2.304 Start of MODEL 17 1 H1 GLY 1 H GLY 1 25.960 -13.642 7.337 2 HA2 GLY 1 1HA GLY 1 24.372 -12.308 6.187 3 HA3 GLY 1 2HA GLY 1 23.981 -13.691 5.175 4 H SER 2 H SER 2 21.755 -13.372 5.549 5 HA SER 2 HA SER 2 20.697 -14.860 7.703 6 HB2 SER 2 1HB SER 2 21.196 -12.916 9.057 7 HB3 SER 2 2HB SER 2 20.405 -11.854 7.892 8 HG SER 2 HG SER 2 18.801 -12.173 9.260 9 H SER 3 H SER 3 18.476 -15.253 7.484 10 HA SER 3 HA SER 3 17.370 -14.374 4.906 11 HB2 SER 3 1HB SER 3 15.855 -16.376 5.177 12 HB3 SER 3 2HB SER 3 17.567 -16.762 5.007 13 HG SER 3 HG SER 3 15.910 -16.939 7.259 14 H GLY 4 H GLY 4 14.938 -14.220 4.847 15 HA2 GLY 4 1HA GLY 4 13.901 -13.102 7.376 16 HA3 GLY 4 2HA GLY 4 13.690 -12.259 5.849 17 H SER 5 H SER 5 11.398 -12.475 6.755 18 HA SER 5 HA SER 5 10.134 -14.680 5.348 19 HB2 SER 5 1HB SER 5 9.586 -14.169 8.282 20 HB3 SER 5 2HB SER 5 8.743 -15.334 7.260 21 HG SER 5 HG SER 5 11.133 -15.559 8.533 22 H SER 6 H SER 6 8.627 -13.790 4.121 23 HA SER 6 HA SER 6 6.891 -11.721 5.239 24 HB2 SER 6 1HB SER 6 8.545 -11.425 2.732 25 HB3 SER 6 2HB SER 6 7.108 -10.450 3.036 26 HG SER 6 HG SER 6 8.129 -9.763 4.996 27 H GLY 7 H GLY 7 4.966 -11.325 3.865 28 HA2 GLY 7 1HA GLY 7 4.340 -13.371 1.900 29 HA3 GLY 7 2HA GLY 7 3.413 -13.452 3.391 30 H THR 8 H THR 8 1.451 -12.999 2.414 31 HA THR 8 HA THR 8 1.070 -10.180 1.728 32 HB THR 8 HB THR 8 -0.347 -10.730 -0.198 33 HG1 THR 8 HG1 THR 8 0.177 -13.318 0.679 34 HG21 THR 8 3HG2 THR 8 2.163 -10.344 -0.394 35 HG22 THR 8 1HG2 THR 8 1.382 -11.152 -1.751 36 HG23 THR 8 2HG2 THR 8 2.310 -12.091 -0.582 37 H GLY 9 H GLY 9 -0.944 -9.357 2.246 38 HA2 GLY 9 1HA GLY 9 -2.521 -11.044 4.040 39 HA3 GLY 9 2HA GLY 9 -2.622 -9.294 3.904 40 H GLU 10 H GLU 10 -4.969 -9.849 3.941 41 HA GLU 10 HA GLU 10 -5.939 -10.704 1.299 42 HB2 GLU 10 1HB GLU 10 -7.144 -10.776 4.044 43 HB3 GLU 10 2HB GLU 10 -8.183 -10.792 2.626 44 HG2 GLU 10 1HG GLU 10 -6.622 -12.749 1.874 45 HG3 GLU 10 2HG GLU 10 -6.271 -12.854 3.599 46 H LYS 11 H LYS 11 -4.895 -8.126 1.545 47 HA LYS 11 HA LYS 11 -7.295 -6.553 0.976 48 HB2 LYS 11 1HB LYS 11 -5.061 -5.602 2.780 49 HB3 LYS 11 2HB LYS 11 -6.423 -4.630 2.238 50 HG2 LYS 11 1HG LYS 11 -7.158 -5.238 4.306 51 HG3 LYS 11 2HG LYS 11 -7.822 -6.560 3.343 52 HD2 LYS 11 1HD LYS 11 -5.541 -7.714 3.885 53 HD3 LYS 11 2HD LYS 11 -5.493 -6.555 5.216 54 HE2 LYS 11 1HE LYS 11 -7.688 -7.361 5.972 55 HE3 LYS 11 2HE LYS 11 -7.699 -8.537 4.659 56 HZ1 LYS 11 3HZ LYS 11 -6.711 -8.948 7.160 57 HZ2 LYS 11 1HZ LYS 11 -5.317 -8.674 6.242 58 HZ3 LYS 11 2HZ LYS 11 -6.391 -9.905 5.803 59 HA PRO 12 HA PRO 12 -4.944 -5.274 -2.517 60 HB2 PRO 12 1HB PRO 12 -6.262 -2.979 -3.118 61 HB3 PRO 12 2HB PRO 12 -6.940 -4.583 -3.422 62 HG2 PRO 12 1HG PRO 12 -7.466 -2.703 -1.152 63 HG3 PRO 12 2HG PRO 12 -8.615 -3.682 -2.083 64 HD2 PRO 12 1HD PRO 12 -7.726 -4.416 0.367 65 HD3 PRO 12 2HD PRO 12 -8.141 -5.597 -0.891 66 H TYR 13 H TYR 13 -5.025 -3.568 0.411 67 HA TYR 13 HA TYR 13 -2.964 -1.686 -0.531 68 HB2 TYR 13 1HB TYR 13 -4.773 -1.471 1.884 69 HB3 TYR 13 2HB TYR 13 -3.549 -0.296 1.418 70 HD1 TYR 13 HD1 TYR 13 -3.898 1.179 -0.486 71 HD2 TYR 13 HD2 TYR 13 -6.863 -1.647 0.664 72 HE1 TYR 13 HE1 TYR 13 -5.546 2.345 -1.890 73 HE2 TYR 13 HE2 TYR 13 -8.519 -0.489 -0.738 74 HH TYR 13 HH TYR 13 -7.767 2.551 -2.339 75 H LYS 14 H LYS 14 -1.049 -2.639 -0.182 76 HA LYS 14 HA LYS 14 -0.493 -3.601 2.544 77 HB2 LYS 14 1HB LYS 14 -0.604 -5.583 1.247 78 HB3 LYS 14 2HB LYS 14 0.281 -4.852 -0.086 79 HG2 LYS 14 1HG LYS 14 2.321 -4.898 1.139 80 HG3 LYS 14 2HG LYS 14 1.485 -5.368 2.622 81 HD2 LYS 14 1HD LYS 14 0.731 -7.439 1.315 82 HD3 LYS 14 2HD LYS 14 1.976 -6.996 0.145 83 HE2 LYS 14 1HE LYS 14 2.690 -7.155 3.036 84 HE3 LYS 14 2HE LYS 14 2.501 -8.649 2.119 85 HZ1 LYS 14 3HZ LYS 14 4.322 -8.214 0.856 86 HZ2 LYS 14 1HZ LYS 14 4.794 -7.403 2.263 87 HZ3 LYS 14 2HZ LYS 14 4.156 -6.534 0.960 88 H CYS 15 H CYS 15 1.331 -2.851 3.471 89 HA CYS 15 HA CYS 15 2.708 -0.680 2.245 90 HB2 CYS 15 1HB CYS 15 2.257 -0.991 4.729 91 HB3 CYS 15 2HB CYS 15 3.573 -2.161 4.728 92 H ASN 16 H ASN 16 4.853 -0.540 1.576 93 HA ASN 16 HA ASN 16 6.071 -3.120 0.862 94 HB2 ASN 16 1HB ASN 16 6.266 -0.388 -0.408 95 HB3 ASN 16 2HB ASN 16 7.346 -1.713 -0.832 96 HD21 ASN 16 1HD2 ASN 16 4.202 -0.378 -1.152 97 HD22 ASN 16 2HD2 ASN 16 3.579 -1.544 -2.264 98 H GLU 17 H GLU 17 6.550 -0.150 2.580 99 HA GLU 17 HA GLU 17 9.376 -0.277 2.813 100 HB2 GLU 17 1HB GLU 17 7.318 1.083 4.560 101 HB3 GLU 17 2HB GLU 17 9.054 1.323 4.692 102 HG2 GLU 17 1HG GLU 17 9.135 2.263 2.472 103 HG3 GLU 17 2HG GLU 17 7.420 1.929 2.239 104 H CYS 18 H CYS 18 6.719 -1.644 4.644 105 HA CYS 18 HA CYS 18 8.682 -3.103 6.285 106 HB2 CYS 18 1HB CYS 18 7.198 -2.983 8.192 107 HB3 CYS 18 2HB CYS 18 7.506 -1.352 7.605 108 H GLY 19 H GLY 19 5.410 -3.090 4.920 109 HA2 GLY 19 1HA GLY 19 4.909 -5.152 3.592 110 HA3 GLY 19 2HA GLY 19 5.473 -6.044 4.997 111 H LYS 20 H LYS 20 4.212 -4.248 6.910 112 HA LYS 20 HA LYS 20 1.943 -5.489 7.584 113 HB2 LYS 20 1HB LYS 20 2.787 -2.647 7.856 114 HB3 LYS 20 2HB LYS 20 1.125 -3.045 8.269 115 HG2 LYS 20 1HG LYS 20 1.855 -4.620 9.927 116 HG3 LYS 20 2HG LYS 20 3.539 -4.411 9.440 117 HD2 LYS 20 1HD LYS 20 3.671 -2.282 10.360 118 HD3 LYS 20 2HD LYS 20 1.920 -2.060 10.347 119 HE2 LYS 20 1HE LYS 20 1.618 -3.430 12.217 120 HE3 LYS 20 2HE LYS 20 3.210 -4.167 12.048 121 HZ1 LYS 20 3HZ LYS 20 4.110 -1.869 12.539 122 HZ2 LYS 20 1HZ LYS 20 3.392 -2.689 13.833 123 HZ3 LYS 20 2HZ LYS 20 2.546 -1.459 13.036 124 H VAL 21 H VAL 21 -0.104 -5.726 6.897 125 HA VAL 21 HA VAL 21 -0.868 -4.324 4.432 126 HB VAL 21 HB VAL 21 -2.152 -6.776 5.639 127 HG11 VAL 21 1HG1 VAL 21 -2.620 -6.776 2.934 128 HG12 VAL 21 2HG1 VAL 21 -3.759 -6.249 4.175 129 HG13 VAL 21 3HG1 VAL 21 -2.742 -5.067 3.351 130 HG21 VAL 21 3HG2 VAL 21 0.155 -7.269 5.056 131 HG22 VAL 21 1HG2 VAL 21 -0.942 -8.044 3.913 132 HG23 VAL 21 2HG2 VAL 21 -0.082 -6.575 3.452 133 H PHE 22 H PHE 22 -2.912 -3.371 4.208 134 HA PHE 22 HA PHE 22 -4.476 -3.022 6.665 135 HB2 PHE 22 1HB PHE 22 -3.777 -0.734 4.820 136 HB3 PHE 22 2HB PHE 22 -4.644 -0.642 6.349 137 HD1 PHE 22 HD1 PHE 22 -1.355 -1.582 4.899 138 HD2 PHE 22 HD2 PHE 22 -3.494 -0.218 8.316 139 HE1 PHE 22 HE1 PHE 22 0.773 -1.202 6.074 140 HE2 PHE 22 HE2 PHE 22 -1.370 0.165 9.497 141 HZ PHE 22 HZ PHE 22 0.767 -0.326 8.376 142 H ARG 23 H ARG 23 -6.625 -1.942 6.171 143 HA ARG 23 HA ARG 23 -7.743 -3.227 3.795 144 HB2 ARG 23 1HB ARG 23 -8.656 -3.377 6.261 145 HB3 ARG 23 2HB ARG 23 -9.417 -1.845 5.852 146 HG2 ARG 23 1HG ARG 23 -10.658 -2.838 4.087 147 HG3 ARG 23 2HG ARG 23 -9.740 -4.340 4.206 148 HD2 ARG 23 1HD ARG 23 -11.306 -3.303 6.540 149 HD3 ARG 23 2HD ARG 23 -12.095 -4.226 5.262 150 HE ARG 23 HE ARG 23 -9.940 -5.744 5.986 151 HH11 ARG 23 1HH1 ARG 23 -12.676 -4.377 7.650 152 HH12 ARG 23 2HH1 ARG 23 -12.749 -5.638 8.836 153 HH21 ARG 23 1HH2 ARG 23 -10.027 -7.409 7.542 154 HH22 ARG 23 2HH2 ARG 23 -11.242 -7.362 8.774 155 H HIS 24 H HIS 24 -7.860 -0.081 5.459 156 HA HIS 24 HA HIS 24 -8.784 1.145 2.954 157 HB2 HIS 24 1HB HIS 24 -9.931 1.423 5.326 158 HB3 HIS 24 2HB HIS 24 -8.696 2.662 5.524 159 HD1 HIS 24 HD1 HIS 24 -9.220 4.898 4.572 160 HD2 HIS 24 HD2 HIS 24 -11.626 1.912 2.974 161 HE1 HIS 24 HE1 HIS 24 -10.904 6.090 3.133 162 H ASN 25 H ASN 25 -7.516 2.497 1.839 163 HA ASN 25 HA ASN 25 -4.796 2.664 2.171 164 HB2 ASN 25 1HB ASN 25 -6.048 3.314 0.115 165 HB3 ASN 25 2HB ASN 25 -6.528 4.805 0.919 166 HD21 ASN 25 1HD2 ASN 25 -4.784 4.087 -1.463 167 HD22 ASN 25 2HD2 ASN 25 -3.340 5.000 -1.205 168 H SER 26 H SER 26 -7.253 4.952 3.315 169 HA SER 26 HA SER 26 -5.765 7.005 4.279 170 HB2 SER 26 1HB SER 26 -8.278 6.710 4.450 171 HB3 SER 26 2HB SER 26 -7.986 5.754 5.903 172 HG SER 26 HG SER 26 -6.983 7.577 6.822 173 H TYR 27 H TYR 27 -6.290 3.892 5.891 174 HA TYR 27 HA TYR 27 -4.759 4.554 8.200 175 HB2 TYR 27 1HB TYR 27 -5.388 1.784 7.173 176 HB3 TYR 27 2HB TYR 27 -5.011 2.251 8.828 177 HD1 TYR 27 HD2 TYR 27 -6.708 4.544 9.312 178 HD2 TYR 27 HD1 TYR 27 -7.560 0.985 7.142 179 HE1 TYR 27 HE2 TYR 27 -9.105 4.841 9.777 180 HE2 TYR 27 HE1 TYR 27 -9.959 1.273 7.600 181 HH TYR 27 HH TYR 27 -11.531 2.826 8.276 182 H LEU 28 H LEU 28 -4.030 3.155 5.085 183 HA LEU 28 HA LEU 28 -1.463 2.134 5.763 184 HB2 LEU 28 1HB LEU 28 -2.530 1.231 3.856 185 HB3 LEU 28 2HB LEU 28 -2.787 2.827 3.156 186 HG LEU 28 HG LEU 28 -0.313 3.008 2.850 187 HD11 LEU 28 1HD1 LEU 28 1.102 1.488 3.638 188 HD12 LEU 28 2HD1 LEU 28 0.165 0.159 2.956 189 HD13 LEU 28 3HD1 LEU 28 -0.253 0.809 4.541 190 HD21 LEU 28 3HD2 LEU 28 -2.178 1.290 1.430 191 HD22 LEU 28 1HD2 LEU 28 -0.497 0.817 1.184 192 HD23 LEU 28 2HD2 LEU 28 -1.014 2.460 0.806 193 H SER 29 H SER 29 -2.477 5.052 3.983 194 HA SER 29 HA SER 29 0.037 6.161 3.592 195 HB2 SER 29 1HB SER 29 -1.983 7.030 2.506 196 HB3 SER 29 2HB SER 29 -2.585 7.605 4.061 197 HG SER 29 HG SER 29 -0.301 8.694 3.962 198 H ARG 30 H ARG 30 -2.243 6.778 6.259 199 HA ARG 30 HA ARG 30 -0.590 8.531 7.695 200 HB2 ARG 30 1HB ARG 30 -2.164 8.415 9.391 201 HB3 ARG 30 2HB ARG 30 -3.113 7.944 7.987 202 HG2 ARG 30 1HG ARG 30 -2.795 5.581 8.591 203 HG3 ARG 30 2HG ARG 30 -1.904 6.089 10.027 204 HD2 ARG 30 1HD ARG 30 -4.730 6.943 9.434 205 HD3 ARG 30 2HD ARG 30 -4.328 5.521 10.396 206 HE ARG 30 HE ARG 30 -2.953 7.655 11.505 207 HH11 ARG 30 1HH1 ARG 30 -6.262 6.719 10.964 208 HH12 ARG 30 2HH1 ARG 30 -6.866 7.571 12.346 209 HH21 ARG 30 1HH2 ARG 30 -3.736 8.781 13.329 210 HH22 ARG 30 2HH2 ARG 30 -5.428 8.744 13.690 211 H HIS 31 H HIS 31 -0.469 5.127 7.301 212 HA HIS 31 HA HIS 31 1.060 4.638 9.709 213 HB2 HIS 31 1HB HIS 31 -0.167 2.753 9.218 214 HB3 HIS 31 2HB HIS 31 -0.005 2.970 7.478 215 HD1 HIS 31 HD1 HIS 31 2.116 1.906 10.443 216 HD2 HIS 31 HD2 HIS 31 1.868 1.371 6.331 217 HE1 HIS 31 HE1 HIS 31 3.859 0.182 9.883 218 H GLN 32 H GLN 32 1.720 4.226 6.225 219 HA GLN 32 HA GLN 32 4.342 3.638 6.197 220 HB2 GLN 32 1HB GLN 32 2.967 5.675 4.439 221 HB3 GLN 32 2HB GLN 32 4.545 4.975 4.100 222 HG2 GLN 32 1HG GLN 32 3.227 2.714 4.333 223 HG3 GLN 32 2HG GLN 32 1.847 3.741 3.947 224 HE21 GLN 32 1HE2 GLN 32 4.015 1.732 2.631 225 HE22 GLN 32 2HE2 GLN 32 4.098 2.367 1.027 226 H ARG 33 H ARG 33 2.963 6.646 7.235 227 HA ARG 33 HA ARG 33 5.017 8.440 7.025 228 HB2 ARG 33 1HB ARG 33 3.203 8.068 9.417 229 HB3 ARG 33 2HB ARG 33 4.131 9.517 9.055 230 HG2 ARG 33 1HG ARG 33 2.797 9.353 6.773 231 HG3 ARG 33 2HG ARG 33 1.655 8.484 7.800 232 HD2 ARG 33 1HD ARG 33 1.627 10.387 9.353 233 HD3 ARG 33 2HD ARG 33 2.742 11.254 8.297 234 HE ARG 33 HE ARG 33 0.280 10.386 7.050 235 HH11 ARG 33 1HH1 ARG 33 1.961 12.937 8.719 236 HH12 ARG 33 2HH1 ARG 33 0.920 14.188 8.126 237 HH21 ARG 33 1HH2 ARG 33 -1.098 12.024 6.262 238 HH22 ARG 33 2HH2 ARG 33 -0.820 13.668 6.729 239 H ILE 34 H ILE 34 4.516 6.186 9.743 240 HA ILE 34 HA ILE 34 6.618 6.752 11.349 241 HB ILE 34 HB ILE 34 6.665 4.461 12.078 242 HG12 ILE 34 1HG1 ILE 34 4.914 3.640 9.778 243 HG13 ILE 34 2HG1 ILE 34 6.667 3.622 9.618 244 HG21 ILE 34 1HG2 ILE 34 3.940 4.145 11.774 245 HG22 ILE 34 2HG2 ILE 34 4.748 5.054 13.050 246 HG23 ILE 34 3HG2 ILE 34 4.179 5.884 11.602 247 HD11 ILE 34 3HD1 ILE 34 6.817 1.704 10.712 248 HD12 ILE 34 1HD1 ILE 34 5.828 2.308 12.042 249 HD13 ILE 34 2HD1 ILE 34 5.059 1.602 10.620 250 H HIS 35 H HIS 35 6.788 5.472 8.148 251 HA HIS 35 HA HIS 35 9.551 4.623 8.410 252 HB2 HIS 35 1HB HIS 35 7.785 4.779 5.959 253 HB3 HIS 35 2HB HIS 35 9.367 4.010 6.041 254 HD1 HIS 35 HD1 HIS 35 9.130 2.326 8.535 255 HD2 HIS 35 HD2 HIS 35 6.063 2.701 5.757 256 HE1 HIS 35 HE1 HIS 35 7.691 0.287 8.843 257 H THR 36 H THR 36 7.859 6.890 6.233 258 HA THR 36 HA THR 36 10.127 8.196 5.288 259 HB THR 36 HB THR 36 8.594 10.100 4.746 260 HG1 THR 36 HG1 THR 36 7.174 9.147 6.709 261 HG21 THR 36 3HG2 THR 36 8.578 7.455 3.755 262 HG22 THR 36 1HG2 THR 36 8.127 8.933 2.906 263 HG23 THR 36 2HG2 THR 36 6.903 8.006 3.774 264 H GLY 37 H GLY 37 11.627 8.848 6.762 265 HA2 GLY 37 1HA GLY 37 11.495 11.314 7.959 266 HA3 GLY 37 2HA GLY 37 10.931 10.196 9.192 267 H GLU 38 H GLU 38 13.548 10.189 6.764 268 HA GLU 38 HA GLU 38 15.607 10.270 8.721 269 HB2 GLU 38 1HB GLU 38 16.493 8.004 8.419 270 HB3 GLU 38 2HB GLU 38 14.883 7.972 9.126 271 HG2 GLU 38 1HG GLU 38 14.087 7.658 6.683 272 HG3 GLU 38 2HG GLU 38 15.757 7.183 6.383 273 H LYS 39 H LYS 39 17.788 9.715 7.674 274 HA LYS 39 HA LYS 39 18.143 11.308 5.411 275 HB2 LYS 39 1HB LYS 39 19.860 9.271 6.792 276 HB3 LYS 39 2HB LYS 39 20.402 10.012 5.292 277 HG2 LYS 39 1HG LYS 39 19.531 11.655 7.646 278 HG3 LYS 39 2HG LYS 39 21.184 11.059 7.474 279 HD2 LYS 39 1HD LYS 39 21.367 12.200 5.314 280 HD3 LYS 39 2HD LYS 39 19.714 12.795 5.489 281 HE2 LYS 39 1HE LYS 39 20.936 14.603 6.227 282 HE3 LYS 39 2HE LYS 39 20.601 13.764 7.741 283 HZ1 LYS 39 3HZ LYS 39 22.991 14.555 7.217 284 HZ2 LYS 39 1HZ LYS 39 23.070 13.163 6.259 285 HZ3 LYS 39 2HZ LYS 39 22.758 13.033 7.916 286 HA PRO 40 HA PRO 40 17.023 8.708 2.040 287 HB2 PRO 40 1HB PRO 40 18.495 9.879 0.082 288 HB3 PRO 40 2HB PRO 40 17.038 10.615 0.759 289 HG2 PRO 40 1HG PRO 40 19.910 11.174 1.389 290 HG3 PRO 40 2HG PRO 40 18.574 12.316 1.156 291 HD2 PRO 40 1HD PRO 40 19.467 11.600 3.610 292 HD3 PRO 40 2HD PRO 40 17.767 12.002 3.293 293 H SER 41 H SER 41 17.707 6.694 1.721 294 HA SER 41 HA SER 41 20.576 6.121 1.776 295 HB2 SER 41 1HB SER 41 18.194 4.256 1.895 296 HB3 SER 41 2HB SER 41 19.881 3.757 2.016 297 HG SER 41 HG SER 41 18.704 4.096 4.054 298 H GLY 42 H GLY 42 19.539 7.416 -0.525 299 HA2 GLY 42 1HA GLY 42 20.700 5.954 -2.576 300 HA3 GLY 42 2HA GLY 42 18.984 5.573 -2.616 301 HA PRO 43 HA PRO 43 20.074 9.680 -4.794 302 HB2 PRO 43 1HB PRO 43 20.031 8.816 -7.367 303 HB3 PRO 43 2HB PRO 43 21.504 8.853 -6.391 304 HG2 PRO 43 1HG PRO 43 19.696 6.547 -7.004 305 HG3 PRO 43 2HG PRO 43 21.469 6.605 -6.986 306 HD2 PRO 43 1HD PRO 43 20.023 5.584 -4.937 307 HD3 PRO 43 2HD PRO 43 21.576 6.408 -4.692 308 H SER 44 H SER 44 17.714 7.271 -4.745 309 HA SER 44 HA SER 44 15.843 8.150 -6.622 310 HB2 SER 44 1HB SER 44 14.175 6.960 -5.265 311 HB3 SER 44 2HB SER 44 15.649 6.006 -5.429 312 HG SER 44 HG SER 44 14.962 7.625 -3.198 313 H SER 45 H SER 45 16.061 10.474 -6.490 314 HA SER 45 HA SER 45 14.292 11.607 -4.434 315 HB2 SER 45 1HB SER 45 16.947 12.733 -5.348 316 HB3 SER 45 2HB SER 45 15.766 13.646 -4.409 317 HG SER 45 HG SER 45 17.160 11.301 -3.644 318 H GLY 46 H GLY 46 12.591 11.667 -5.919 319 HA2 GLY 46 1HA GLY 46 11.261 12.646 -7.513 320 HA3 GLY 46 2HA GLY 46 12.361 14.015 -7.448 Start of MODEL 18 1 H1 GLY 1 H GLY 1 14.773 -13.661 12.381 2 HA2 GLY 1 1HA GLY 1 12.655 -15.018 10.844 3 HA3 GLY 1 2HA GLY 1 13.949 -15.831 11.712 4 H SER 2 H SER 2 12.065 -17.075 12.542 5 HA SER 2 HA SER 2 10.662 -17.648 14.238 6 HB2 SER 2 1HB SER 2 12.170 -15.398 15.577 7 HB3 SER 2 2HB SER 2 10.983 -16.392 16.421 8 HG SER 2 HG SER 2 12.265 -18.159 16.152 9 H SER 3 H SER 3 9.540 -16.095 12.256 10 HA SER 3 HA SER 3 7.435 -14.735 13.760 11 HB2 SER 3 1HB SER 3 8.849 -13.483 11.393 12 HB3 SER 3 2HB SER 3 7.439 -12.817 12.217 13 HG SER 3 HG SER 3 9.809 -13.407 13.627 14 H GLY 4 H GLY 4 5.421 -14.657 12.696 15 HA2 GLY 4 1HA GLY 4 4.835 -15.319 10.088 16 HA3 GLY 4 2HA GLY 4 4.951 -16.855 10.933 17 H SER 5 H SER 5 3.190 -13.837 10.687 18 HA SER 5 HA SER 5 1.076 -14.944 12.404 19 HB2 SER 5 1HB SER 5 2.193 -12.557 12.696 20 HB3 SER 5 2HB SER 5 1.020 -12.110 11.457 21 HG SER 5 HG SER 5 -0.422 -13.429 13.062 22 H SER 6 H SER 6 1.582 -13.269 9.313 23 HA SER 6 HA SER 6 -1.136 -13.725 8.470 24 HB2 SER 6 1HB SER 6 0.435 -11.759 7.815 25 HB3 SER 6 2HB SER 6 1.089 -12.888 6.628 26 HG SER 6 HG SER 6 -0.590 -11.699 5.709 27 H GLY 7 H GLY 7 -1.407 -14.663 6.153 28 HA2 GLY 7 1HA GLY 7 0.380 -16.735 5.341 29 HA3 GLY 7 2HA GLY 7 -0.992 -17.390 6.222 30 H THR 8 H THR 8 -3.170 -16.697 5.413 31 HA THR 8 HA THR 8 -3.131 -16.676 2.471 32 HB THR 8 HB THR 8 -4.187 -18.664 3.382 33 HG1 THR 8 HG1 THR 8 -6.406 -17.153 2.568 34 HG21 THR 8 3HG2 THR 8 -4.870 -17.943 5.553 35 HG22 THR 8 1HG2 THR 8 -6.327 -18.411 4.678 36 HG23 THR 8 2HG2 THR 8 -5.926 -16.705 4.876 37 H GLY 9 H GLY 9 -4.786 -15.472 1.352 38 HA2 GLY 9 1HA GLY 9 -6.135 -13.644 0.980 39 HA3 GLY 9 2HA GLY 9 -6.464 -13.611 2.706 40 H GLU 10 H GLU 10 -6.044 -11.353 0.967 41 HA GLU 10 HA GLU 10 -4.262 -9.864 2.584 42 HB2 GLU 10 1HB GLU 10 -2.787 -11.275 0.912 43 HB3 GLU 10 2HB GLU 10 -3.247 -10.013 -0.222 44 HG2 GLU 10 1HG GLU 10 -2.453 -8.430 1.714 45 HG3 GLU 10 2HG GLU 10 -1.537 -9.855 2.203 46 H LYS 11 H LYS 11 -4.881 -7.797 2.534 47 HA LYS 11 HA LYS 11 -7.018 -6.971 0.858 48 HB2 LYS 11 1HB LYS 11 -5.352 -5.719 2.980 49 HB3 LYS 11 2HB LYS 11 -6.213 -4.640 1.891 50 HG2 LYS 11 1HG LYS 11 -7.751 -4.875 3.561 51 HG3 LYS 11 2HG LYS 11 -8.253 -6.174 2.476 52 HD2 LYS 11 1HD LYS 11 -6.242 -6.782 4.587 53 HD3 LYS 11 2HD LYS 11 -7.930 -6.588 5.064 54 HE2 LYS 11 1HE LYS 11 -8.619 -8.431 3.865 55 HE3 LYS 11 2HE LYS 11 -7.260 -8.341 2.745 56 HZ1 LYS 11 3HZ LYS 11 -7.499 -9.881 5.082 57 HZ2 LYS 11 1HZ LYS 11 -6.222 -8.791 5.290 58 HZ3 LYS 11 2HZ LYS 11 -6.226 -9.846 3.968 59 HA PRO 12 HA PRO 12 -5.026 -5.170 -2.612 60 HB2 PRO 12 1HB PRO 12 -6.464 -2.902 -3.013 61 HB3 PRO 12 2HB PRO 12 -7.101 -4.516 -3.351 62 HG2 PRO 12 1HG PRO 12 -7.545 -2.767 -0.963 63 HG3 PRO 12 2HG PRO 12 -8.716 -3.746 -1.866 64 HD2 PRO 12 1HD PRO 12 -7.642 -4.558 0.483 65 HD3 PRO 12 2HD PRO 12 -8.095 -5.695 -0.803 66 H TYR 13 H TYR 13 -4.869 -3.710 0.406 67 HA TYR 13 HA TYR 13 -2.875 -1.771 -0.567 68 HB2 TYR 13 1HB TYR 13 -4.729 -1.430 1.800 69 HB3 TYR 13 2HB TYR 13 -3.494 -0.285 1.286 70 HD1 TYR 13 HD1 TYR 13 -3.772 0.958 -0.843 71 HD2 TYR 13 HD2 TYR 13 -6.853 -1.527 0.717 72 HE1 TYR 13 HE1 TYR 13 -5.400 2.058 -2.323 73 HE2 TYR 13 HE2 TYR 13 -8.489 -0.435 -0.759 74 HH TYR 13 HH TYR 13 -7.492 1.975 -3.144 75 H LYS 14 H LYS 14 -1.004 -2.795 -0.141 76 HA LYS 14 HA LYS 14 -0.520 -3.593 2.650 77 HB2 LYS 14 1HB LYS 14 -0.745 -5.651 1.461 78 HB3 LYS 14 2HB LYS 14 0.255 -5.071 0.136 79 HG2 LYS 14 1HG LYS 14 2.082 -4.873 1.997 80 HG3 LYS 14 2HG LYS 14 1.057 -6.043 2.833 81 HD2 LYS 14 1HD LYS 14 1.157 -7.479 0.795 82 HD3 LYS 14 2HD LYS 14 2.324 -6.345 0.112 83 HE2 LYS 14 1HE LYS 14 3.807 -6.755 2.037 84 HE3 LYS 14 2HE LYS 14 2.649 -7.931 2.658 85 HZ1 LYS 14 3HZ LYS 14 3.044 -8.802 0.148 86 HZ2 LYS 14 1HZ LYS 14 3.873 -9.383 1.504 87 HZ3 LYS 14 2HZ LYS 14 4.577 -8.195 0.528 88 H CYS 15 H CYS 15 1.216 -2.680 3.543 89 HA CYS 15 HA CYS 15 2.744 -0.750 2.155 90 HB2 CYS 15 1HB CYS 15 2.266 -0.763 4.626 91 HB3 CYS 15 2HB CYS 15 3.446 -2.059 4.787 92 H ASN 16 H ASN 16 4.904 -0.753 1.518 93 HA ASN 16 HA ASN 16 5.993 -3.426 0.975 94 HB2 ASN 16 1HB ASN 16 6.872 -0.832 -0.295 95 HB3 ASN 16 2HB ASN 16 7.177 -2.471 -0.862 96 HD21 ASN 16 1HD2 ASN 16 5.338 -3.714 -1.599 97 HD22 ASN 16 2HD2 ASN 16 4.001 -2.895 -2.325 98 H GLU 17 H GLU 17 6.635 -0.422 2.598 99 HA GLU 17 HA GLU 17 9.402 -0.620 2.952 100 HB2 GLU 17 1HB GLU 17 7.311 0.587 4.770 101 HB3 GLU 17 2HB GLU 17 9.043 0.827 4.948 102 HG2 GLU 17 1HG GLU 17 7.451 1.605 2.516 103 HG3 GLU 17 2HG GLU 17 7.887 2.700 3.827 104 H CYS 18 H CYS 18 6.815 -1.591 5.211 105 HA CYS 18 HA CYS 18 8.754 -3.293 6.608 106 HB2 CYS 18 1HB CYS 18 7.068 -3.383 8.413 107 HB3 CYS 18 2HB CYS 18 7.541 -1.731 8.028 108 H GLY 19 H GLY 19 5.685 -3.367 4.893 109 HA2 GLY 19 1HA GLY 19 5.103 -5.288 3.570 110 HA3 GLY 19 2HA GLY 19 5.942 -6.297 4.739 111 H LYS 20 H LYS 20 3.911 -3.781 5.936 112 HA LYS 20 HA LYS 20 2.147 -5.756 7.117 113 HB2 LYS 20 1HB LYS 20 2.695 -2.858 7.531 114 HB3 LYS 20 2HB LYS 20 1.116 -3.467 8.011 115 HG2 LYS 20 1HG LYS 20 2.084 -4.999 9.549 116 HG3 LYS 20 2HG LYS 20 3.709 -4.678 8.936 117 HD2 LYS 20 1HD LYS 20 3.730 -2.502 9.858 118 HD3 LYS 20 2HD LYS 20 1.992 -2.534 10.165 119 HE2 LYS 20 1HE LYS 20 3.070 -2.860 12.255 120 HE3 LYS 20 2HE LYS 20 2.416 -4.423 11.768 121 HZ1 LYS 20 3HZ LYS 20 5.198 -3.555 11.974 122 HZ2 LYS 20 1HZ LYS 20 4.816 -4.650 10.742 123 HZ3 LYS 20 2HZ LYS 20 4.500 -5.048 12.356 124 H VAL 21 H VAL 21 -0.247 -5.230 7.173 125 HA VAL 21 HA VAL 21 -1.162 -4.169 4.584 126 HB VAL 21 HB VAL 21 -2.373 -6.602 5.891 127 HG11 VAL 21 1HG1 VAL 21 -2.741 -5.229 3.243 128 HG12 VAL 21 2HG1 VAL 21 -3.277 -6.884 3.535 129 HG13 VAL 21 3HG1 VAL 21 -3.948 -5.558 4.485 130 HG21 VAL 21 3HG2 VAL 21 -0.806 -7.914 5.015 131 HG22 VAL 21 1HG2 VAL 21 -1.014 -7.173 3.428 132 HG23 VAL 21 2HG2 VAL 21 0.110 -6.468 4.590 133 H PHE 22 H PHE 22 -3.318 -3.356 4.557 134 HA PHE 22 HA PHE 22 -4.584 -2.967 7.169 135 HB2 PHE 22 1HB PHE 22 -4.125 -0.699 5.225 136 HB3 PHE 22 2HB PHE 22 -4.857 -0.593 6.822 137 HD1 PHE 22 HD1 PHE 22 -1.698 -1.264 5.027 138 HD2 PHE 22 HD2 PHE 22 -3.537 -0.333 8.751 139 HE1 PHE 22 HE1 PHE 22 0.515 -0.813 6.003 140 HE2 PHE 22 HE2 PHE 22 -1.327 0.121 9.732 141 HZ PHE 22 HZ PHE 22 0.703 -0.118 8.358 142 H ARG 23 H ARG 23 -6.764 -1.729 6.783 143 HA ARG 23 HA ARG 23 -8.181 -3.260 4.749 144 HB2 ARG 23 1HB ARG 23 -8.905 -3.018 7.214 145 HB3 ARG 23 2HB ARG 23 -9.453 -1.412 6.751 146 HG2 ARG 23 1HG ARG 23 -10.772 -2.614 4.906 147 HG3 ARG 23 2HG ARG 23 -10.469 -4.077 5.845 148 HD2 ARG 23 1HD ARG 23 -11.608 -1.626 7.138 149 HD3 ARG 23 2HD ARG 23 -12.647 -2.747 6.259 150 HE ARG 23 HE ARG 23 -11.547 -3.124 8.851 151 HH11 ARG 23 1HH1 ARG 23 -12.417 -4.816 5.936 152 HH12 ARG 23 2HH1 ARG 23 -12.692 -6.326 6.740 153 HH21 ARG 23 1HH2 ARG 23 -11.905 -5.106 9.921 154 HH22 ARG 23 2HH2 ARG 23 -12.401 -6.490 9.006 155 H HIS 24 H HIS 24 -8.024 0.127 5.850 156 HA HIS 24 HA HIS 24 -9.010 0.959 3.209 157 HB2 HIS 24 1HB HIS 24 -10.076 1.679 5.508 158 HB3 HIS 24 2HB HIS 24 -8.762 2.852 5.513 159 HD1 HIS 24 HD1 HIS 24 -8.868 4.757 3.778 160 HD2 HIS 24 HD2 HIS 24 -12.082 2.131 3.604 161 HE1 HIS 24 HE1 HIS 24 -10.579 5.884 2.319 162 H ASN 25 H ASN 25 -7.968 2.637 2.069 163 HA ASN 25 HA ASN 25 -5.133 2.563 2.205 164 HB2 ASN 25 1HB ASN 25 -5.866 2.912 0.042 165 HB3 ASN 25 2HB ASN 25 -7.148 4.012 0.541 166 HD21 ASN 25 1HD2 ASN 25 -6.623 6.171 1.027 167 HD22 ASN 25 2HD2 ASN 25 -5.176 6.897 0.422 168 H SER 26 H SER 26 -7.435 5.243 2.707 169 HA SER 26 HA SER 26 -5.881 7.303 3.397 170 HB2 SER 26 1HB SER 26 -7.599 7.994 5.053 171 HB3 SER 26 2HB SER 26 -8.308 7.431 3.539 172 HG SER 26 HG SER 26 -9.443 6.389 5.073 173 H TYR 27 H TYR 27 -6.695 4.661 5.634 174 HA TYR 27 HA TYR 27 -5.196 5.617 7.812 175 HB2 TYR 27 1HB TYR 27 -5.915 2.759 7.126 176 HB3 TYR 27 2HB TYR 27 -5.383 3.335 8.702 177 HD1 TYR 27 HD2 TYR 27 -6.939 5.855 8.914 178 HD2 TYR 27 HD1 TYR 27 -8.090 2.002 7.523 179 HE1 TYR 27 HE2 TYR 27 -9.272 6.336 9.528 180 HE2 TYR 27 HE1 TYR 27 -10.426 2.473 8.133 181 HH TYR 27 HH TYR 27 -11.324 5.464 9.791 182 H LEU 28 H LEU 28 -4.388 3.205 5.323 183 HA LEU 28 HA LEU 28 -1.909 2.407 6.123 184 HB2 LEU 28 1HB LEU 28 -2.770 1.401 4.201 185 HB3 LEU 28 2HB LEU 28 -3.028 2.948 3.397 186 HG LEU 28 HG LEU 28 -0.588 3.183 3.127 187 HD11 LEU 28 1HD1 LEU 28 0.845 1.228 3.532 188 HD12 LEU 28 2HD1 LEU 28 -0.512 0.408 4.303 189 HD13 LEU 28 3HD1 LEU 28 0.157 1.873 5.022 190 HD21 LEU 28 3HD2 LEU 28 -1.936 0.734 2.019 191 HD22 LEU 28 1HD2 LEU 28 -0.335 1.259 1.497 192 HD23 LEU 28 2HD2 LEU 28 -1.729 2.312 1.257 193 H SER 29 H SER 29 -2.684 5.365 4.324 194 HA SER 29 HA SER 29 -0.125 6.310 3.865 195 HB2 SER 29 1HB SER 29 -2.785 7.624 4.232 196 HB3 SER 29 2HB SER 29 -1.344 8.639 4.185 197 HG SER 29 HG SER 29 -0.845 7.481 2.172 198 H ARG 30 H ARG 30 -2.201 6.905 6.693 199 HA ARG 30 HA ARG 30 -0.504 8.560 8.126 200 HB2 ARG 30 1HB ARG 30 -2.326 6.449 9.293 201 HB3 ARG 30 2HB ARG 30 -1.736 7.891 10.108 202 HG2 ARG 30 1HG ARG 30 -3.279 8.227 7.591 203 HG3 ARG 30 2HG ARG 30 -4.146 7.787 9.063 204 HD2 ARG 30 1HD ARG 30 -2.315 10.163 8.738 205 HD3 ARG 30 2HD ARG 30 -4.077 10.216 8.731 206 HE ARG 30 HE ARG 30 -3.561 9.064 11.097 207 HH11 ARG 30 1HH1 ARG 30 -2.269 11.909 9.562 208 HH12 ARG 30 2HH1 ARG 30 -1.964 12.735 11.054 209 HH21 ARG 30 1HH2 ARG 30 -3.164 10.141 13.068 210 HH22 ARG 30 2HH2 ARG 30 -2.472 11.728 13.048 211 H HIS 31 H HIS 31 -0.578 5.033 7.954 212 HA HIS 31 HA HIS 31 1.375 4.584 9.959 213 HB2 HIS 31 1HB HIS 31 0.169 2.668 9.544 214 HB3 HIS 31 2HB HIS 31 0.113 2.951 7.806 215 HD1 HIS 31 HD1 HIS 31 2.536 1.781 10.474 216 HD2 HIS 31 HD2 HIS 31 1.965 1.558 6.365 217 HE1 HIS 31 HE1 HIS 31 4.278 0.170 9.640 218 H GLN 32 H GLN 32 1.616 4.426 6.402 219 HA GLN 32 HA GLN 32 4.221 3.888 6.008 220 HB2 GLN 32 1HB GLN 32 2.561 5.983 4.607 221 HB3 GLN 32 2HB GLN 32 4.142 5.465 4.039 222 HG2 GLN 32 1HG GLN 32 3.141 3.097 4.075 223 HG3 GLN 32 2HG GLN 32 1.584 3.922 4.148 224 HE21 GLN 32 1HE2 GLN 32 1.391 2.675 2.084 225 HE22 GLN 32 2HE2 GLN 32 1.908 3.461 0.636 226 H ARG 33 H ARG 33 2.957 6.751 7.485 227 HA ARG 33 HA ARG 33 4.971 8.594 7.161 228 HB2 ARG 33 1HB ARG 33 3.437 8.045 9.709 229 HB3 ARG 33 2HB ARG 33 4.291 9.533 9.321 230 HG2 ARG 33 1HG ARG 33 2.138 8.539 7.509 231 HG3 ARG 33 2HG ARG 33 1.724 9.392 8.997 232 HD2 ARG 33 1HD ARG 33 3.632 10.477 6.936 233 HD3 ARG 33 2HD ARG 33 1.904 10.825 6.935 234 HE ARG 33 HE ARG 33 2.849 11.454 9.463 235 HH11 ARG 33 1HH1 ARG 33 3.359 12.501 6.183 236 HH12 ARG 33 2HH1 ARG 33 3.758 14.127 6.626 237 HH21 ARG 33 1HH2 ARG 33 3.372 13.592 10.059 238 HH22 ARG 33 2HH2 ARG 33 3.766 14.747 8.831 239 H ILE 34 H ILE 34 4.768 6.094 9.690 240 HA ILE 34 HA ILE 34 7.061 6.601 11.093 241 HB ILE 34 HB ILE 34 7.122 4.291 11.745 242 HG12 ILE 34 1HG1 ILE 34 5.076 3.558 9.677 243 HG13 ILE 34 2HG1 ILE 34 6.785 3.558 9.255 244 HG21 ILE 34 1HG2 ILE 34 5.350 4.901 12.953 245 HG22 ILE 34 2HG2 ILE 34 4.637 5.785 11.605 246 HG23 ILE 34 3HG2 ILE 34 4.374 4.048 11.757 247 HD11 ILE 34 3HD1 ILE 34 7.229 1.949 11.023 248 HD12 ILE 34 1HD1 ILE 34 5.523 1.962 11.472 249 HD13 ILE 34 2HD1 ILE 34 6.016 1.343 9.895 250 H HIS 35 H HIS 35 6.794 5.480 7.848 251 HA HIS 35 HA HIS 35 9.573 4.599 7.751 252 HB2 HIS 35 1HB HIS 35 7.439 4.640 5.607 253 HB3 HIS 35 2HB HIS 35 9.054 3.963 5.418 254 HD1 HIS 35 HD1 HIS 35 9.370 2.283 7.887 255 HD2 HIS 35 HD2 HIS 35 5.810 2.488 5.754 256 HE1 HIS 35 HE1 HIS 35 8.121 0.176 8.459 257 H THR 36 H THR 36 8.833 7.417 8.223 258 HA THR 36 HA THR 36 10.734 8.625 6.498 259 HB THR 36 HB THR 36 8.808 8.505 4.925 260 HG1 THR 36 HG1 THR 36 9.547 10.329 4.151 261 HG21 THR 36 3HG2 THR 36 7.479 9.882 7.187 262 HG22 THR 36 1HG2 THR 36 6.818 8.761 5.998 263 HG23 THR 36 2HG2 THR 36 7.082 10.450 5.566 264 H GLY 37 H GLY 37 10.582 11.145 6.756 265 HA2 GLY 37 1HA GLY 37 11.157 11.919 9.260 266 HA3 GLY 37 2HA GLY 37 10.351 13.000 8.133 267 H GLU 38 H GLU 38 10.197 12.266 11.166 268 HA GLU 38 HA GLU 38 7.499 13.005 11.508 269 HB2 GLU 38 1HB GLU 38 7.507 10.450 10.809 270 HB3 GLU 38 2HB GLU 38 7.894 10.223 12.509 271 HG2 GLU 38 1HG GLU 38 5.508 11.754 11.504 272 HG3 GLU 38 2HG GLU 38 5.478 10.058 11.984 273 H LYS 39 H LYS 39 7.490 14.109 13.342 274 HA LYS 39 HA LYS 39 9.307 13.263 15.503 275 HB2 LYS 39 1HB LYS 39 9.548 15.609 16.127 276 HB3 LYS 39 2HB LYS 39 10.042 15.361 14.457 277 HG2 LYS 39 1HG LYS 39 7.889 16.232 13.692 278 HG3 LYS 39 2HG LYS 39 7.402 16.490 15.370 279 HD2 LYS 39 1HD LYS 39 8.810 18.276 15.645 280 HD3 LYS 39 2HD LYS 39 9.962 17.692 14.442 281 HE2 LYS 39 1HE LYS 39 7.217 18.725 13.756 282 HE3 LYS 39 2HE LYS 39 8.656 19.743 13.790 283 HZ1 LYS 39 3HZ LYS 39 9.381 17.603 12.261 284 HZ2 LYS 39 1HZ LYS 39 8.941 19.133 11.687 285 HZ3 LYS 39 2HZ LYS 39 7.785 17.902 11.786 286 HA PRO 40 HA PRO 40 5.772 12.913 18.098 287 HB2 PRO 40 1HB PRO 40 6.951 13.278 20.515 288 HB3 PRO 40 2HB PRO 40 7.141 11.798 19.567 289 HG2 PRO 40 1HG PRO 40 8.993 14.136 19.820 290 HG3 PRO 40 2HG PRO 40 9.371 12.403 19.824 291 HD2 PRO 40 1HD PRO 40 9.707 13.963 17.636 292 HD3 PRO 40 2HD PRO 40 9.265 12.247 17.527 293 H SER 41 H SER 41 4.729 14.857 17.346 294 HA SER 41 HA SER 41 5.322 17.380 18.591 295 HB2 SER 41 1HB SER 41 3.368 16.391 16.571 296 HB3 SER 41 2HB SER 41 2.960 17.868 17.445 297 HG SER 41 HG SER 41 4.433 17.765 15.365 298 H GLY 42 H GLY 42 5.044 17.165 20.794 299 HA2 GLY 42 1HA GLY 42 2.672 17.792 21.970 300 HA3 GLY 42 2HA GLY 42 2.636 16.036 21.902 301 HA PRO 43 HA PRO 43 5.441 17.863 25.396 302 HB2 PRO 43 1HB PRO 43 3.647 18.497 27.332 303 HB3 PRO 43 2HB PRO 43 4.226 19.666 26.139 304 HG2 PRO 43 1HG PRO 43 1.676 18.099 26.173 305 HG3 PRO 43 2HG PRO 43 1.935 19.805 25.764 306 HD2 PRO 43 1HD PRO 43 1.634 17.884 23.879 307 HD3 PRO 43 2HD PRO 43 2.657 19.314 23.631 308 H SER 44 H SER 44 5.223 17.097 27.860 309 HA SER 44 HA SER 44 5.087 14.255 27.747 310 HB2 SER 44 1HB SER 44 5.870 14.277 29.986 311 HB3 SER 44 2HB SER 44 6.624 15.674 29.218 312 HG SER 44 HG SER 44 4.880 16.933 30.130 313 H SER 45 H SER 45 3.649 12.843 28.724 314 HA SER 45 HA SER 45 1.027 14.012 29.366 315 HB2 SER 45 1HB SER 45 1.458 12.242 27.450 316 HB3 SER 45 2HB SER 45 1.378 11.097 28.789 317 HG SER 45 HG SER 45 -0.674 12.152 29.316 318 H GLY 46 H GLY 46 0.313 13.917 31.390 319 HA2 GLY 46 1HA GLY 46 1.848 12.476 33.381 320 HA3 GLY 46 2HA GLY 46 0.507 13.570 33.685 Start of MODEL 19 1 H1 GLY 1 H GLY 1 18.058 -21.224 -1.647 2 HA2 GLY 1 1HA GLY 1 17.652 -20.231 1.091 3 HA3 GLY 1 2HA GLY 1 17.441 -19.128 -0.261 4 H SER 2 H SER 2 15.282 -19.073 0.971 5 HA SER 2 HA SER 2 13.516 -21.293 0.335 6 HB2 SER 2 1HB SER 2 13.277 -20.259 2.526 7 HB3 SER 2 2HB SER 2 13.004 -18.683 1.782 8 HG SER 2 HG SER 2 11.235 -20.185 0.676 9 H SER 3 H SER 3 11.715 -21.162 -1.006 10 HA SER 3 HA SER 3 11.800 -18.951 -2.948 11 HB2 SER 3 1HB SER 3 10.814 -21.794 -3.281 12 HB3 SER 3 2HB SER 3 10.706 -20.543 -4.520 13 HG SER 3 HG SER 3 13.176 -21.199 -3.329 14 H GLY 4 H GLY 4 10.274 -17.488 -2.551 15 HA2 GLY 4 1HA GLY 4 8.220 -16.554 -2.128 16 HA3 GLY 4 2HA GLY 4 7.534 -18.070 -2.692 17 H SER 5 H SER 5 6.144 -16.859 -0.799 18 HA SER 5 HA SER 5 6.739 -18.426 1.622 19 HB2 SER 5 1HB SER 5 6.057 -16.630 3.035 20 HB3 SER 5 2HB SER 5 7.178 -15.934 1.866 21 HG SER 5 HG SER 5 5.148 -14.758 2.252 22 H SER 6 H SER 6 4.666 -18.422 3.082 23 HA SER 6 HA SER 6 2.518 -19.443 1.390 24 HB2 SER 6 1HB SER 6 3.222 -19.748 4.297 25 HB3 SER 6 2HB SER 6 1.610 -20.167 3.717 26 HG SER 6 HG SER 6 2.516 -22.001 3.233 27 H GLY 7 H GLY 7 1.172 -17.882 0.714 28 HA2 GLY 7 1HA GLY 7 -0.417 -16.227 0.799 29 HA3 GLY 7 2HA GLY 7 -0.613 -16.638 2.496 30 H THR 8 H THR 8 -0.258 -14.079 0.715 31 HA THR 8 HA THR 8 0.971 -12.529 2.784 32 HB THR 8 HB THR 8 3.020 -13.284 1.723 33 HG1 THR 8 HG1 THR 8 2.684 -10.658 0.745 34 HG21 THR 8 3HG2 THR 8 1.512 -13.157 -0.643 35 HG22 THR 8 1HG2 THR 8 3.202 -13.632 -0.472 36 HG23 THR 8 2HG2 THR 8 2.788 -11.952 -0.815 37 H GLY 9 H GLY 9 -0.462 -10.925 2.880 38 HA2 GLY 9 1HA GLY 9 -1.360 -8.887 2.136 39 HA3 GLY 9 2HA GLY 9 -0.941 -9.330 0.487 40 H GLU 10 H GLU 10 -3.256 -9.828 3.089 41 HA GLU 10 HA GLU 10 -5.087 -11.212 1.296 42 HB2 GLU 10 1HB GLU 10 -4.711 -11.869 3.727 43 HB3 GLU 10 2HB GLU 10 -5.605 -10.418 4.157 44 HG2 GLU 10 1HG GLU 10 -7.599 -11.255 3.425 45 HG3 GLU 10 2HG GLU 10 -6.842 -12.329 2.249 46 H LYS 11 H LYS 11 -4.292 -8.238 1.235 47 HA LYS 11 HA LYS 11 -6.970 -7.281 0.655 48 HB2 LYS 11 1HB LYS 11 -5.310 -6.279 2.911 49 HB3 LYS 11 2HB LYS 11 -6.176 -5.084 1.955 50 HG2 LYS 11 1HG LYS 11 -8.220 -5.786 2.669 51 HG3 LYS 11 2HG LYS 11 -7.687 -7.451 2.915 52 HD2 LYS 11 1HD LYS 11 -6.539 -5.315 4.646 53 HD3 LYS 11 2HD LYS 11 -8.191 -5.855 4.955 54 HE2 LYS 11 1HE LYS 11 -7.362 -8.182 5.084 55 HE3 LYS 11 2HE LYS 11 -5.718 -7.582 4.873 56 HZ1 LYS 11 3HZ LYS 11 -6.453 -8.014 7.226 57 HZ2 LYS 11 1HZ LYS 11 -7.470 -6.669 7.079 58 HZ3 LYS 11 2HZ LYS 11 -5.795 -6.483 6.933 59 HA PRO 12 HA PRO 12 -4.950 -5.148 -2.605 60 HB2 PRO 12 1HB PRO 12 -6.509 -2.941 -2.873 61 HB3 PRO 12 2HB PRO 12 -7.036 -4.555 -3.365 62 HG2 PRO 12 1HG PRO 12 -7.662 -3.041 -0.860 63 HG3 PRO 12 2HG PRO 12 -8.741 -4.007 -1.882 64 HD2 PRO 12 1HD PRO 12 -7.696 -4.949 0.431 65 HD3 PRO 12 2HD PRO 12 -8.038 -5.999 -0.959 66 H TYR 13 H TYR 13 -5.107 -3.829 0.519 67 HA TYR 13 HA TYR 13 -3.210 -1.697 -0.220 68 HB2 TYR 13 1HB TYR 13 -5.089 -1.810 2.149 69 HB3 TYR 13 2HB TYR 13 -3.934 -0.521 1.827 70 HD1 TYR 13 HD1 TYR 13 -4.291 1.024 -0.057 71 HD2 TYR 13 HD2 TYR 13 -7.164 -1.950 0.949 72 HE1 TYR 13 HE1 TYR 13 -5.974 2.199 -1.412 73 HE2 TYR 13 HE2 TYR 13 -8.854 -0.783 -0.405 74 HH TYR 13 HH TYR 13 -8.778 0.848 -2.438 75 H LYS 14 H LYS 14 -1.264 -2.648 0.057 76 HA LYS 14 HA LYS 14 -0.639 -3.613 2.761 77 HB2 LYS 14 1HB LYS 14 -0.814 -5.630 1.537 78 HB3 LYS 14 2HB LYS 14 0.007 -4.947 0.140 79 HG2 LYS 14 1HG LYS 14 2.062 -4.767 1.603 80 HG3 LYS 14 2HG LYS 14 1.196 -5.765 2.774 81 HD2 LYS 14 1HD LYS 14 0.843 -7.402 0.837 82 HD3 LYS 14 2HD LYS 14 2.087 -6.477 -0.006 83 HE2 LYS 14 1HE LYS 14 3.354 -8.116 0.989 84 HE3 LYS 14 2HE LYS 14 3.435 -6.843 2.206 85 HZ1 LYS 14 3HZ LYS 14 1.186 -8.603 2.536 86 HZ2 LYS 14 1HZ LYS 14 2.330 -8.085 3.671 87 HZ3 LYS 14 2HZ LYS 14 2.674 -9.398 2.662 88 H CYS 15 H CYS 15 1.113 -2.697 3.623 89 HA CYS 15 HA CYS 15 2.495 -0.627 2.296 90 HB2 CYS 15 1HB CYS 15 2.175 -0.826 4.779 91 HB3 CYS 15 2HB CYS 15 3.390 -2.101 4.779 92 H ASN 16 H ASN 16 4.633 -0.498 1.568 93 HA ASN 16 HA ASN 16 5.763 -3.078 0.738 94 HB2 ASN 16 1HB ASN 16 5.160 -1.339 -1.001 95 HB3 ASN 16 2HB ASN 16 6.463 -0.348 -0.351 96 HD21 ASN 16 1HD2 ASN 16 6.575 -1.008 -2.937 97 HD22 ASN 16 2HD2 ASN 16 7.803 -2.190 -3.222 98 H GLU 17 H GLU 17 6.397 -0.214 2.591 99 HA GLU 17 HA GLU 17 9.199 -0.403 2.781 100 HB2 GLU 17 1HB GLU 17 7.069 0.877 4.455 101 HB3 GLU 17 2HB GLU 17 8.723 0.817 5.047 102 HG2 GLU 17 1HG GLU 17 7.767 2.105 2.503 103 HG3 GLU 17 2HG GLU 17 8.324 2.922 3.962 104 H CYS 18 H CYS 18 6.643 -1.588 4.958 105 HA CYS 18 HA CYS 18 8.642 -3.341 6.224 106 HB2 CYS 18 1HB CYS 18 7.126 -3.436 8.153 107 HB3 CYS 18 2HB CYS 18 7.570 -1.775 7.774 108 H GLY 19 H GLY 19 5.383 -3.223 4.862 109 HA2 GLY 19 1HA GLY 19 4.840 -5.168 3.411 110 HA3 GLY 19 2HA GLY 19 5.440 -6.175 4.720 111 H LYS 20 H LYS 20 4.168 -4.338 6.716 112 HA LYS 20 HA LYS 20 1.979 -5.679 7.467 113 HB2 LYS 20 1HB LYS 20 2.700 -2.800 7.669 114 HB3 LYS 20 2HB LYS 20 1.057 -3.251 8.105 115 HG2 LYS 20 1HG LYS 20 1.966 -4.886 9.713 116 HG3 LYS 20 2HG LYS 20 3.594 -4.334 9.313 117 HD2 LYS 20 1HD LYS 20 3.191 -3.037 11.151 118 HD3 LYS 20 2HD LYS 20 2.548 -1.974 9.896 119 HE2 LYS 20 1HE LYS 20 0.300 -3.066 10.327 120 HE3 LYS 20 2HE LYS 20 1.031 -3.783 11.763 121 HZ1 LYS 20 3HZ LYS 20 -0.206 -1.626 12.086 122 HZ2 LYS 20 1HZ LYS 20 1.062 -0.865 11.265 123 HZ3 LYS 20 2HZ LYS 20 1.363 -1.680 12.716 124 H VAL 21 H VAL 21 -0.303 -5.489 7.204 125 HA VAL 21 HA VAL 21 -1.101 -4.400 4.582 126 HB VAL 21 HB VAL 21 -2.391 -6.764 5.939 127 HG11 VAL 21 1HG1 VAL 21 -3.112 -5.139 3.734 128 HG12 VAL 21 2HG1 VAL 21 -2.662 -6.726 3.107 129 HG13 VAL 21 3HG1 VAL 21 -3.917 -6.586 4.339 130 HG21 VAL 21 3HG2 VAL 21 -1.167 -7.963 3.944 131 HG22 VAL 21 1HG2 VAL 21 -0.041 -6.616 4.113 132 HG23 VAL 21 2HG2 VAL 21 -0.342 -7.691 5.478 133 H PHE 22 H PHE 22 -3.083 -3.366 4.421 134 HA PHE 22 HA PHE 22 -4.558 -2.932 6.926 135 HB2 PHE 22 1HB PHE 22 -3.854 -0.755 4.947 136 HB3 PHE 22 2HB PHE 22 -4.768 -0.556 6.438 137 HD1 PHE 22 HD1 PHE 22 -1.457 -1.770 5.234 138 HD2 PHE 22 HD2 PHE 22 -3.663 0.137 8.334 139 HE1 PHE 22 HE1 PHE 22 0.636 -1.334 6.450 140 HE2 PHE 22 HE2 PHE 22 -1.573 0.577 9.555 141 HZ PHE 22 HZ PHE 22 0.580 -0.158 8.613 142 H ARG 23 H ARG 23 -6.690 -1.715 6.403 143 HA ARG 23 HA ARG 23 -8.003 -3.242 4.300 144 HB2 ARG 23 1HB ARG 23 -8.958 -1.645 6.654 145 HB3 ARG 23 2HB ARG 23 -10.070 -2.061 5.357 146 HG2 ARG 23 1HG ARG 23 -9.462 -4.456 5.709 147 HG3 ARG 23 2HG ARG 23 -8.544 -3.951 7.129 148 HD2 ARG 23 1HD ARG 23 -10.702 -2.851 7.924 149 HD3 ARG 23 2HD ARG 23 -11.506 -3.776 6.657 150 HE ARG 23 HE ARG 23 -10.156 -5.684 7.970 151 HH11 ARG 23 1HH1 ARG 23 -12.224 -3.113 9.082 152 HH12 ARG 23 2HH1 ARG 23 -12.779 -3.986 10.472 153 HH21 ARG 23 1HH2 ARG 23 -10.880 -6.843 9.796 154 HH22 ARG 23 2HH2 ARG 23 -12.013 -6.107 10.878 155 H HIS 24 H HIS 24 -7.919 0.160 5.373 156 HA HIS 24 HA HIS 24 -8.699 0.965 2.658 157 HB2 HIS 24 1HB HIS 24 -9.955 1.720 4.817 158 HB3 HIS 24 2HB HIS 24 -8.609 2.841 4.999 159 HD1 HIS 24 HD1 HIS 24 -9.110 5.056 4.052 160 HD2 HIS 24 HD2 HIS 24 -11.058 2.028 1.977 161 HE1 HIS 24 HE1 HIS 24 -10.439 6.216 2.259 162 H ASN 25 H ASN 25 -7.728 3.111 1.948 163 HA ASN 25 HA ASN 25 -4.859 2.847 2.043 164 HB2 ASN 25 1HB ASN 25 -6.401 3.520 0.026 165 HB3 ASN 25 2HB ASN 25 -6.248 5.139 0.703 166 HD21 ASN 25 1HD2 ASN 25 -4.295 6.193 0.613 167 HD22 ASN 25 2HD2 ASN 25 -2.969 5.629 -0.341 168 H SER 26 H SER 26 -7.217 5.363 2.916 169 HA SER 26 HA SER 26 -5.629 7.375 3.794 170 HB2 SER 26 1HB SER 26 -8.230 7.057 3.913 171 HB3 SER 26 2HB SER 26 -7.899 6.537 5.565 172 HG SER 26 HG SER 26 -6.990 8.988 4.463 173 H TYR 27 H TYR 27 -6.623 4.596 5.790 174 HA TYR 27 HA TYR 27 -5.142 5.278 8.066 175 HB2 TYR 27 1HB TYR 27 -5.724 2.448 7.201 176 HB3 TYR 27 2HB TYR 27 -5.559 3.068 8.840 177 HD1 TYR 27 HD2 TYR 27 -7.279 5.343 8.984 178 HD2 TYR 27 HD1 TYR 27 -7.880 1.705 6.862 179 HE1 TYR 27 HE2 TYR 27 -9.712 5.682 9.103 180 HE2 TYR 27 HE1 TYR 27 -10.315 2.035 6.974 181 HH TYR 27 HH TYR 27 -11.745 4.922 7.736 182 H LEU 28 H LEU 28 -4.293 3.288 5.262 183 HA LEU 28 HA LEU 28 -1.825 2.343 6.135 184 HB2 LEU 28 1HB LEU 28 -2.798 1.431 4.171 185 HB3 LEU 28 2HB LEU 28 -2.843 3.007 3.384 186 HG LEU 28 HG LEU 28 -0.374 2.981 3.270 187 HD11 LEU 28 1HD1 LEU 28 0.688 0.697 3.610 188 HD12 LEU 28 2HD1 LEU 28 -0.752 0.288 4.541 189 HD13 LEU 28 3HD1 LEU 28 0.285 1.615 5.061 190 HD21 LEU 28 3HD2 LEU 28 -1.756 0.602 2.033 191 HD22 LEU 28 1HD2 LEU 28 -0.210 1.274 1.515 192 HD23 LEU 28 2HD2 LEU 28 -1.682 2.233 1.365 193 H SER 29 H SER 29 -2.478 5.207 4.112 194 HA SER 29 HA SER 29 0.040 6.197 3.795 195 HB2 SER 29 1HB SER 29 -2.329 7.148 3.110 196 HB3 SER 29 2HB SER 29 -2.102 8.145 4.547 197 HG SER 29 HG SER 29 -0.476 8.009 2.234 198 H ARG 30 H ARG 30 -2.094 6.838 6.571 199 HA ARG 30 HA ARG 30 -0.409 8.490 8.024 200 HB2 ARG 30 1HB ARG 30 -2.650 6.660 8.708 201 HB3 ARG 30 2HB ARG 30 -1.642 7.227 10.032 202 HG2 ARG 30 1HG ARG 30 -3.207 8.866 10.040 203 HG3 ARG 30 2HG ARG 30 -2.080 9.567 8.877 204 HD2 ARG 30 1HD ARG 30 -4.206 7.759 7.855 205 HD3 ARG 30 2HD ARG 30 -4.674 9.377 8.377 206 HE ARG 30 HE ARG 30 -3.157 8.678 6.034 207 HH11 ARG 30 1HH1 ARG 30 -3.903 11.186 8.331 208 HH12 ARG 30 2HH1 ARG 30 -3.483 12.477 7.254 209 HH21 ARG 30 1HH2 ARG 30 -2.602 10.369 4.607 210 HH22 ARG 30 2HH2 ARG 30 -2.745 12.011 5.136 211 H HIS 31 H HIS 31 -0.595 4.950 8.014 212 HA HIS 31 HA HIS 31 1.325 4.510 10.028 213 HB2 HIS 31 1HB HIS 31 0.101 2.606 9.613 214 HB3 HIS 31 2HB HIS 31 0.095 2.860 7.870 215 HD1 HIS 31 HD1 HIS 31 2.554 1.842 10.586 216 HD2 HIS 31 HD2 HIS 31 1.834 1.269 6.534 217 HE1 HIS 31 HE1 HIS 31 4.259 0.154 9.832 218 H GLN 32 H GLN 32 1.685 4.151 6.493 219 HA GLN 32 HA GLN 32 4.310 3.631 6.235 220 HB2 GLN 32 1HB GLN 32 2.530 5.435 4.632 221 HB3 GLN 32 2HB GLN 32 4.224 5.252 4.197 222 HG2 GLN 32 1HG GLN 32 3.703 2.713 4.274 223 HG3 GLN 32 2HG GLN 32 2.026 3.237 4.126 224 HE21 GLN 32 1HE2 GLN 32 2.810 1.726 2.162 225 HE22 GLN 32 2HE2 GLN 32 3.158 2.624 0.727 226 H ARG 33 H ARG 33 2.949 6.586 7.426 227 HA ARG 33 HA ARG 33 4.933 8.438 7.043 228 HB2 ARG 33 1HB ARG 33 3.332 8.018 9.575 229 HB3 ARG 33 2HB ARG 33 4.189 9.491 9.140 230 HG2 ARG 33 1HG ARG 33 2.164 8.427 7.244 231 HG3 ARG 33 2HG ARG 33 1.609 9.221 8.718 232 HD2 ARG 33 1HD ARG 33 3.453 10.391 6.638 233 HD3 ARG 33 2HD ARG 33 1.760 10.816 6.890 234 HE ARG 33 HE ARG 33 2.983 11.266 9.304 235 HH11 ARG 33 1HH1 ARG 33 3.407 12.393 6.038 236 HH12 ARG 33 2HH1 ARG 33 4.017 13.944 6.513 237 HH21 ARG 33 1HH2 ARG 33 3.784 13.303 9.943 238 HH22 ARG 33 2HH2 ARG 33 4.232 14.460 8.735 239 H ILE 34 H ILE 34 4.719 6.132 9.752 240 HA ILE 34 HA ILE 34 6.931 6.758 11.195 241 HB ILE 34 HB ILE 34 7.092 4.464 11.904 242 HG12 ILE 34 1HG1 ILE 34 5.151 3.598 9.785 243 HG13 ILE 34 2HG1 ILE 34 6.875 3.651 9.432 244 HG21 ILE 34 1HG2 ILE 34 4.348 4.107 11.818 245 HG22 ILE 34 2HG2 ILE 34 5.255 4.988 13.046 246 HG23 ILE 34 3HG2 ILE 34 4.560 5.852 11.674 247 HD11 ILE 34 3HD1 ILE 34 7.190 1.713 10.443 248 HD12 ILE 34 1HD1 ILE 34 6.417 2.297 11.916 249 HD13 ILE 34 2HD1 ILE 34 5.442 1.582 10.632 250 H HIS 35 H HIS 35 6.860 5.470 7.989 251 HA HIS 35 HA HIS 35 9.650 4.681 8.014 252 HB2 HIS 35 1HB HIS 35 7.679 4.823 5.722 253 HB3 HIS 35 2HB HIS 35 9.281 4.095 5.655 254 HD1 HIS 35 HD1 HIS 35 9.313 2.370 8.127 255 HD2 HIS 35 HD2 HIS 35 5.990 2.711 5.657 256 HE1 HIS 35 HE1 HIS 35 7.955 0.294 8.536 257 H THR 36 H THR 36 9.251 7.381 8.681 258 HA THR 36 HA THR 36 10.408 8.733 6.329 259 HB THR 36 HB THR 36 9.523 10.865 7.292 260 HG1 THR 36 HG1 THR 36 8.733 9.113 9.260 261 HG21 THR 36 3HG2 THR 36 8.029 10.443 5.680 262 HG22 THR 36 1HG2 THR 36 6.976 9.838 6.957 263 HG23 THR 36 2HG2 THR 36 7.998 8.720 6.054 264 H GLY 37 H GLY 37 12.413 9.487 6.566 265 HA2 GLY 37 1HA GLY 37 13.557 10.903 8.557 266 HA3 GLY 37 2HA GLY 37 13.721 9.252 9.138 267 H GLU 38 H GLU 38 15.652 8.425 8.746 268 HA GLU 38 HA GLU 38 17.639 9.526 7.202 269 HB2 GLU 38 1HB GLU 38 17.651 7.521 8.898 270 HB3 GLU 38 2HB GLU 38 17.477 6.547 7.445 271 HG2 GLU 38 1HG GLU 38 19.533 7.346 6.564 272 HG3 GLU 38 2HG GLU 38 19.666 8.570 7.825 273 H LYS 39 H LYS 39 18.640 8.771 5.204 274 HA LYS 39 HA LYS 39 17.073 8.936 2.989 275 HB2 LYS 39 1HB LYS 39 19.747 7.732 3.502 276 HB3 LYS 39 2HB LYS 39 18.990 7.399 1.950 277 HG2 LYS 39 1HG LYS 39 20.367 9.281 1.626 278 HG3 LYS 39 2HG LYS 39 18.711 9.890 1.684 279 HD2 LYS 39 1HD LYS 39 19.935 11.380 3.017 280 HD3 LYS 39 2HD LYS 39 19.141 10.304 4.171 281 HE2 LYS 39 1HE LYS 39 21.312 10.411 4.978 282 HE3 LYS 39 2HE LYS 39 21.324 8.927 4.027 283 HZ1 LYS 39 3HZ LYS 39 22.668 9.828 2.462 284 HZ2 LYS 39 1HZ LYS 39 23.176 10.770 3.772 285 HZ3 LYS 39 2HZ LYS 39 22.066 11.397 2.661 286 HA PRO 40 HA PRO 40 14.819 5.209 2.444 287 HB2 PRO 40 1HB PRO 40 14.800 4.980 -0.260 288 HB3 PRO 40 2HB PRO 40 13.854 6.195 0.607 289 HG2 PRO 40 1HG PRO 40 16.489 6.485 -0.784 290 HG3 PRO 40 2HG PRO 40 15.089 7.573 -0.802 291 HD2 PRO 40 1HD PRO 40 17.265 8.024 0.744 292 HD3 PRO 40 2HD PRO 40 15.628 8.504 1.236 293 H SER 41 H SER 41 14.930 3.004 1.646 294 HA SER 41 HA SER 41 17.401 2.032 0.529 295 HB2 SER 41 1HB SER 41 16.763 1.712 3.434 296 HB3 SER 41 2HB SER 41 17.561 0.385 2.590 297 HG SER 41 HG SER 41 19.333 1.478 2.757 298 H GLY 42 H GLY 42 17.064 0.206 -0.601 299 HA2 GLY 42 1HA GLY 42 15.982 -2.041 -0.575 300 HA3 GLY 42 2HA GLY 42 14.500 -1.196 -0.151 301 HA PRO 43 HA PRO 43 15.588 -0.257 -4.803 302 HB2 PRO 43 1HB PRO 43 17.167 -2.128 -5.975 303 HB3 PRO 43 2HB PRO 43 17.811 -0.669 -5.211 304 HG2 PRO 43 1HG PRO 43 17.629 -3.453 -4.126 305 HG3 PRO 43 2HG PRO 43 18.968 -2.296 -4.018 306 HD2 PRO 43 1HD PRO 43 17.242 -2.720 -1.976 307 HD3 PRO 43 2HD PRO 43 17.996 -1.142 -2.276 308 H SER 44 H SER 44 14.408 -1.039 -6.560 309 HA SER 44 HA SER 44 12.791 -3.398 -5.971 310 HB2 SER 44 1HB SER 44 12.452 -1.288 -8.117 311 HB3 SER 44 2HB SER 44 11.305 -2.575 -7.748 312 HG SER 44 HG SER 44 10.558 -0.901 -6.598 313 H SER 45 H SER 45 14.425 -2.018 -8.828 314 HA SER 45 HA SER 45 15.105 -3.041 -10.773 315 HB2 SER 45 1HB SER 45 16.976 -3.348 -9.111 316 HB3 SER 45 2HB SER 45 16.362 -4.973 -8.814 317 HG SER 45 HG SER 45 16.924 -4.128 -11.438 318 H GLY 46 H GLY 46 12.510 -3.843 -10.171 319 HA2 GLY 46 1HA GLY 46 12.473 -6.746 -10.604 320 HA3 GLY 46 2HA GLY 46 11.093 -5.754 -10.154 Start of MODEL 20 1 H1 GLY 1 H GLY 1 12.275 -15.674 2.382 2 HA2 GLY 1 1HA GLY 1 12.364 -17.594 4.568 3 HA3 GLY 1 2HA GLY 1 12.007 -15.935 5.023 4 H SER 2 H SER 2 9.974 -16.776 5.811 5 HA SER 2 HA SER 2 7.955 -16.766 3.705 6 HB2 SER 2 1HB SER 2 8.584 -19.172 4.263 7 HB3 SER 2 2HB SER 2 7.884 -18.886 5.856 8 HG SER 2 HG SER 2 5.910 -18.693 4.974 9 H SER 3 H SER 3 6.685 -15.130 4.256 10 HA SER 3 HA SER 3 6.505 -13.777 6.598 11 HB2 SER 3 1HB SER 3 4.453 -12.847 5.839 12 HB3 SER 3 2HB SER 3 5.362 -13.244 4.381 13 HG SER 3 HG SER 3 4.113 -15.343 4.586 14 H GLY 4 H GLY 4 5.032 -13.744 8.373 15 HA2 GLY 4 1HA GLY 4 4.682 -16.196 9.655 16 HA3 GLY 4 2HA GLY 4 3.880 -14.701 10.111 17 H SER 5 H SER 5 1.930 -14.122 8.804 18 HA SER 5 HA SER 5 -0.029 -16.037 8.986 19 HB2 SER 5 1HB SER 5 0.214 -13.480 7.466 20 HB3 SER 5 2HB SER 5 -1.148 -14.538 7.096 21 HG SER 5 HG SER 5 -1.858 -13.270 8.724 22 H SER 6 H SER 6 -1.055 -17.440 7.567 23 HA SER 6 HA SER 6 0.056 -17.807 4.900 24 HB2 SER 6 1HB SER 6 -0.002 -20.058 6.924 25 HB3 SER 6 2HB SER 6 0.491 -20.191 5.236 26 HG SER 6 HG SER 6 2.230 -19.941 6.816 27 H GLY 7 H GLY 7 -1.675 -17.802 3.631 28 HA2 GLY 7 1HA GLY 7 -3.555 -19.547 3.164 29 HA3 GLY 7 2HA GLY 7 -4.203 -18.883 4.656 30 H THR 8 H THR 8 -5.470 -18.849 2.091 31 HA THR 8 HA THR 8 -5.231 -16.497 0.653 32 HB THR 8 HB THR 8 -7.789 -17.996 1.253 33 HG1 THR 8 HG1 THR 8 -6.125 -19.271 0.264 34 HG21 THR 8 3HG2 THR 8 -7.612 -16.742 -1.343 35 HG22 THR 8 1HG2 THR 8 -7.436 -15.552 -0.054 36 HG23 THR 8 2HG2 THR 8 -8.862 -16.589 -0.108 37 H GLY 9 H GLY 9 -5.654 -14.418 1.049 38 HA2 GLY 9 1HA GLY 9 -7.697 -13.178 2.250 39 HA3 GLY 9 2HA GLY 9 -6.751 -13.688 3.641 40 H GLU 10 H GLU 10 -6.140 -12.167 0.469 41 HA GLU 10 HA GLU 10 -4.270 -10.342 1.819 42 HB2 GLU 10 1HB GLU 10 -3.283 -9.968 -0.398 43 HB3 GLU 10 2HB GLU 10 -3.261 -11.670 0.040 44 HG2 GLU 10 1HG GLU 10 -5.539 -11.675 -1.294 45 HG3 GLU 10 2HG GLU 10 -4.808 -10.270 -2.066 46 H LYS 11 H LYS 11 -4.476 -8.150 1.632 47 HA LYS 11 HA LYS 11 -7.015 -7.201 0.498 48 HB2 LYS 11 1HB LYS 11 -5.222 -6.125 2.666 49 HB3 LYS 11 2HB LYS 11 -6.482 -5.141 1.931 50 HG2 LYS 11 1HG LYS 11 -7.968 -7.244 2.552 51 HG3 LYS 11 2HG LYS 11 -6.706 -7.456 3.767 52 HD2 LYS 11 1HD LYS 11 -8.206 -6.118 4.896 53 HD3 LYS 11 2HD LYS 11 -7.112 -4.913 4.213 54 HE2 LYS 11 1HE LYS 11 -8.640 -4.258 2.596 55 HE3 LYS 11 2HE LYS 11 -9.542 -5.769 2.695 56 HZ1 LYS 11 3HZ LYS 11 -10.810 -4.987 4.341 57 HZ2 LYS 11 1HZ LYS 11 -10.274 -3.455 3.862 58 HZ3 LYS 11 2HZ LYS 11 -9.516 -4.254 5.146 59 HA PRO 12 HA PRO 12 -5.042 -4.853 -2.642 60 HB2 PRO 12 1HB PRO 12 -6.627 -2.652 -2.756 61 HB3 PRO 12 2HB PRO 12 -7.141 -4.238 -3.346 62 HG2 PRO 12 1HG PRO 12 -7.762 -2.892 -0.745 63 HG3 PRO 12 2HG PRO 12 -8.839 -3.804 -1.818 64 HD2 PRO 12 1HD PRO 12 -7.764 -4.878 0.423 65 HD3 PRO 12 2HD PRO 12 -8.107 -5.842 -1.029 66 H TYR 13 H TYR 13 -5.071 -3.834 0.561 67 HA TYR 13 HA TYR 13 -3.232 -1.615 -0.057 68 HB2 TYR 13 1HB TYR 13 -5.041 -1.853 2.356 69 HB3 TYR 13 2HB TYR 13 -3.961 -0.511 1.993 70 HD1 TYR 13 HD1 TYR 13 -4.492 1.055 0.179 71 HD2 TYR 13 HD2 TYR 13 -7.160 -2.084 1.239 72 HE1 TYR 13 HE1 TYR 13 -6.293 2.173 -1.069 73 HE2 TYR 13 HE2 TYR 13 -8.968 -0.976 -0.007 74 HH TYR 13 HH TYR 13 -9.476 1.484 -0.714 75 H LYS 14 H LYS 14 -1.253 -2.439 0.231 76 HA LYS 14 HA LYS 14 -0.619 -3.571 2.856 77 HB2 LYS 14 1HB LYS 14 -0.860 -5.545 1.552 78 HB3 LYS 14 2HB LYS 14 0.002 -4.839 0.192 79 HG2 LYS 14 1HG LYS 14 2.046 -4.778 1.645 80 HG3 LYS 14 2HG LYS 14 1.142 -5.724 2.830 81 HD2 LYS 14 1HD LYS 14 0.774 -7.457 1.096 82 HD3 LYS 14 2HD LYS 14 1.791 -6.526 -0.007 83 HE2 LYS 14 1HE LYS 14 2.861 -7.254 2.678 84 HE3 LYS 14 2HE LYS 14 2.784 -8.496 1.429 85 HZ1 LYS 14 3HZ LYS 14 4.220 -7.289 0.053 86 HZ2 LYS 14 1HZ LYS 14 4.913 -7.171 1.592 87 HZ3 LYS 14 2HZ LYS 14 4.050 -5.865 0.950 88 H CYS 15 H CYS 15 1.161 -2.704 3.711 89 HA CYS 15 HA CYS 15 2.566 -0.641 2.371 90 HB2 CYS 15 1HB CYS 15 2.194 -0.869 4.876 91 HB3 CYS 15 2HB CYS 15 3.483 -2.068 4.867 92 H ASN 16 H ASN 16 4.765 -0.551 1.755 93 HA ASN 16 HA ASN 16 5.856 -3.166 0.966 94 HB2 ASN 16 1HB ASN 16 7.269 -1.597 -0.594 95 HB3 ASN 16 2HB ASN 16 5.608 -1.999 -1.019 96 HD21 ASN 16 1HD2 ASN 16 7.796 0.460 -0.622 97 HD22 ASN 16 2HD2 ASN 16 6.699 1.792 -0.539 98 H GLU 17 H GLU 17 6.551 -0.182 2.643 99 HA GLU 17 HA GLU 17 9.336 -0.484 2.914 100 HB2 GLU 17 1HB GLU 17 7.254 1.000 4.495 101 HB3 GLU 17 2HB GLU 17 8.934 0.973 5.013 102 HG2 GLU 17 1HG GLU 17 9.637 2.283 3.293 103 HG3 GLU 17 2HG GLU 17 8.370 1.725 2.203 104 H CYS 18 H CYS 18 6.644 -1.525 4.971 105 HA CYS 18 HA CYS 18 8.549 -3.135 6.537 106 HB2 CYS 18 1HB CYS 18 6.894 -3.113 8.339 107 HB3 CYS 18 2HB CYS 18 7.314 -1.471 7.861 108 H GLY 19 H GLY 19 5.379 -3.171 4.958 109 HA2 GLY 19 1HA GLY 19 4.927 -5.181 3.590 110 HA3 GLY 19 2HA GLY 19 5.539 -6.122 4.941 111 H LYS 20 H LYS 20 4.180 -4.385 6.907 112 HA LYS 20 HA LYS 20 1.966 -5.810 7.511 113 HB2 LYS 20 1HB LYS 20 2.692 -2.954 7.986 114 HB3 LYS 20 2HB LYS 20 1.072 -3.487 8.417 115 HG2 LYS 20 1HG LYS 20 1.839 -4.928 10.056 116 HG3 LYS 20 2HG LYS 20 3.461 -5.013 9.363 117 HD2 LYS 20 1HD LYS 20 3.774 -2.617 9.979 118 HD3 LYS 20 2HD LYS 20 2.216 -2.675 10.806 119 HE2 LYS 20 1HE LYS 20 4.361 -4.659 11.456 120 HE3 LYS 20 2HE LYS 20 4.393 -3.045 12.164 121 HZ1 LYS 20 3HZ LYS 20 1.970 -4.724 12.317 122 HZ2 LYS 20 1HZ LYS 20 2.418 -3.419 13.295 123 HZ3 LYS 20 2HZ LYS 20 3.220 -4.900 13.443 124 H VAL 21 H VAL 21 -0.294 -5.590 7.201 125 HA VAL 21 HA VAL 21 -1.022 -4.216 4.695 126 HB VAL 21 HB VAL 21 -2.326 -6.699 5.816 127 HG11 VAL 21 1HG1 VAL 21 -3.674 -5.131 4.356 128 HG12 VAL 21 2HG1 VAL 21 -2.566 -5.548 3.048 129 HG13 VAL 21 3HG1 VAL 21 -3.554 -6.800 3.801 130 HG21 VAL 21 3HG2 VAL 21 0.159 -6.692 4.813 131 HG22 VAL 21 1HG2 VAL 21 -0.971 -8.027 4.580 132 HG23 VAL 21 2HG2 VAL 21 -0.759 -6.819 3.312 133 H PHE 22 H PHE 22 -3.033 -3.190 4.581 134 HA PHE 22 HA PHE 22 -4.471 -2.882 7.129 135 HB2 PHE 22 1HB PHE 22 -3.800 -0.644 5.206 136 HB3 PHE 22 2HB PHE 22 -4.740 -0.487 6.687 137 HD1 PHE 22 HD1 PHE 22 -1.398 -1.639 5.509 138 HD2 PHE 22 HD2 PHE 22 -3.674 0.174 8.616 139 HE1 PHE 22 HE1 PHE 22 0.671 -1.208 6.770 140 HE2 PHE 22 HE2 PHE 22 -1.609 0.609 9.880 141 HZ PHE 22 HZ PHE 22 0.568 -0.082 8.957 142 H ARG 23 H ARG 23 -6.625 -1.655 6.687 143 HA ARG 23 HA ARG 23 -8.005 -3.174 4.637 144 HB2 ARG 23 1HB ARG 23 -9.187 -1.198 6.590 145 HB3 ARG 23 2HB ARG 23 -10.035 -2.447 5.688 146 HG2 ARG 23 1HG ARG 23 -8.938 -4.174 6.964 147 HG3 ARG 23 2HG ARG 23 -7.961 -2.969 7.807 148 HD2 ARG 23 1HD ARG 23 -10.919 -2.688 7.895 149 HD3 ARG 23 2HD ARG 23 -10.179 -3.965 8.860 150 HE ARG 23 HE ARG 23 -8.977 -1.363 9.186 151 HH11 ARG 23 1HH1 ARG 23 -11.420 -3.582 10.295 152 HH12 ARG 23 2HH1 ARG 23 -11.549 -2.859 11.864 153 HH21 ARG 23 1HH2 ARG 23 -9.138 -0.403 11.248 154 HH22 ARG 23 2HH2 ARG 23 -10.252 -1.050 12.405 155 H HIS 24 H HIS 24 -7.881 0.263 5.594 156 HA HIS 24 HA HIS 24 -8.546 0.967 2.815 157 HB2 HIS 24 1HB HIS 24 -9.964 1.705 4.928 158 HB3 HIS 24 2HB HIS 24 -8.734 2.961 5.029 159 HD1 HIS 24 HD1 HIS 24 -9.900 4.989 4.191 160 HD2 HIS 24 HD2 HIS 24 -10.542 1.693 1.745 161 HE1 HIS 24 HE1 HIS 24 -11.167 5.864 2.203 162 H ASN 25 H ASN 25 -7.613 3.110 2.101 163 HA ASN 25 HA ASN 25 -4.779 2.984 2.295 164 HB2 ASN 25 1HB ASN 25 -5.965 3.738 0.257 165 HB3 ASN 25 2HB ASN 25 -6.511 5.172 1.122 166 HD21 ASN 25 1HD2 ASN 25 -5.339 6.920 0.855 167 HD22 ASN 25 2HD2 ASN 25 -3.677 6.972 0.385 168 H SER 26 H SER 26 -7.153 5.408 3.381 169 HA SER 26 HA SER 26 -5.669 7.338 4.485 170 HB2 SER 26 1HB SER 26 -8.091 7.325 4.696 171 HB3 SER 26 2HB SER 26 -8.016 5.972 5.824 172 HG SER 26 HG SER 26 -6.962 7.319 7.298 173 H TYR 27 H TYR 27 -6.189 4.160 5.958 174 HA TYR 27 HA TYR 27 -4.607 4.744 8.272 175 HB2 TYR 27 1HB TYR 27 -5.568 2.100 7.160 176 HB3 TYR 27 2HB TYR 27 -4.827 2.322 8.741 177 HD1 TYR 27 HD2 TYR 27 -6.073 4.585 9.910 178 HD2 TYR 27 HD1 TYR 27 -7.817 1.651 7.370 179 HE1 TYR 27 HE2 TYR 27 -8.281 5.065 10.882 180 HE2 TYR 27 HE1 TYR 27 -10.030 2.123 8.334 181 HH TYR 27 HH TYR 27 -10.460 3.901 11.165 182 H LEU 28 H LEU 28 -4.062 3.101 5.199 183 HA LEU 28 HA LEU 28 -1.519 2.050 5.776 184 HB2 LEU 28 1HB LEU 28 -2.662 1.208 3.892 185 HB3 LEU 28 2HB LEU 28 -2.879 2.819 3.211 186 HG LEU 28 HG LEU 28 -0.500 2.937 2.696 187 HD11 LEU 28 1HD1 LEU 28 0.794 1.744 4.096 188 HD12 LEU 28 2HD1 LEU 28 0.563 0.468 2.902 189 HD13 LEU 28 3HD1 LEU 28 -0.436 0.507 4.354 190 HD21 LEU 28 3HD2 LEU 28 -1.620 0.325 1.699 191 HD22 LEU 28 1HD2 LEU 28 -0.475 1.393 0.885 192 HD23 LEU 28 2HD2 LEU 28 -2.148 1.904 1.113 193 H SER 29 H SER 29 -2.396 5.005 3.980 194 HA SER 29 HA SER 29 0.197 5.969 3.622 195 HB2 SER 29 1HB SER 29 -1.706 6.890 2.403 196 HB3 SER 29 2HB SER 29 -2.388 7.522 3.901 197 HG SER 29 HG SER 29 -0.253 8.673 4.036 198 H ARG 30 H ARG 30 -2.174 6.864 6.131 199 HA ARG 30 HA ARG 30 -0.526 8.589 7.575 200 HB2 ARG 30 1HB ARG 30 -2.194 8.637 9.147 201 HB3 ARG 30 2HB ARG 30 -3.089 7.973 7.788 202 HG2 ARG 30 1HG ARG 30 -2.766 5.719 8.674 203 HG3 ARG 30 2HG ARG 30 -1.871 6.389 10.040 204 HD2 ARG 30 1HD ARG 30 -4.601 7.433 9.480 205 HD3 ARG 30 2HD ARG 30 -4.448 5.835 10.210 206 HE ARG 30 HE ARG 30 -4.099 8.316 11.513 207 HH11 ARG 30 1HH1 ARG 30 -2.758 5.107 11.356 208 HH12 ARG 30 2HH1 ARG 30 -2.169 5.132 12.985 209 HH21 ARG 30 1HH2 ARG 30 -3.328 8.361 13.659 210 HH22 ARG 30 2HH2 ARG 30 -2.494 6.984 14.294 211 H HIS 31 H HIS 31 -0.331 5.223 7.210 212 HA HIS 31 HA HIS 31 1.100 4.810 9.717 213 HB2 HIS 31 1HB HIS 31 -0.158 2.925 9.394 214 HB3 HIS 31 2HB HIS 31 -0.090 3.049 7.638 215 HD1 HIS 31 HD1 HIS 31 1.953 1.850 10.573 216 HD2 HIS 31 HD2 HIS 31 1.875 1.547 6.430 217 HE1 HIS 31 HE1 HIS 31 3.660 0.096 9.995 218 H GLN 32 H GLN 32 1.705 4.273 6.242 219 HA GLN 32 HA GLN 32 4.344 3.567 6.310 220 HB2 GLN 32 1HB GLN 32 2.856 5.274 4.321 221 HB3 GLN 32 2HB GLN 32 4.519 4.762 4.065 222 HG2 GLN 32 1HG GLN 32 3.944 2.579 3.724 223 HG3 GLN 32 2HG GLN 32 2.485 2.694 4.706 224 HE21 GLN 32 1HE2 GLN 32 2.750 1.563 2.082 225 HE22 GLN 32 2HE2 GLN 32 1.711 2.464 1.037 226 H ARG 33 H ARG 33 2.973 6.775 6.694 227 HA ARG 33 HA ARG 33 5.132 8.416 6.354 228 HB2 ARG 33 1HB ARG 33 4.019 10.007 7.635 229 HB3 ARG 33 2HB ARG 33 2.712 8.957 7.105 230 HG2 ARG 33 1HG ARG 33 2.574 7.908 9.226 231 HG3 ARG 33 2HG ARG 33 4.078 8.659 9.765 232 HD2 ARG 33 1HD ARG 33 2.959 10.881 9.522 233 HD3 ARG 33 2HD ARG 33 1.452 10.025 9.198 234 HE ARG 33 HE ARG 33 2.753 9.273 11.660 235 HH11 ARG 33 1HH1 ARG 33 0.481 11.419 10.127 236 HH12 ARG 33 2HH1 ARG 33 -0.367 11.780 11.595 237 HH21 ARG 33 1HH2 ARG 33 1.645 9.740 13.598 238 HH22 ARG 33 2HH2 ARG 33 0.297 10.825 13.568 239 H ILE 34 H ILE 34 4.507 6.219 9.006 240 HA ILE 34 HA ILE 34 6.283 7.139 10.917 241 HB ILE 34 HB ILE 34 6.276 4.977 11.874 242 HG12 ILE 34 1HG1 ILE 34 5.352 3.862 9.218 243 HG13 ILE 34 2HG1 ILE 34 7.013 3.792 9.798 244 HG21 ILE 34 1HG2 ILE 34 3.720 4.345 10.921 245 HG22 ILE 34 2HG2 ILE 34 4.131 5.302 12.344 246 HG23 ILE 34 3HG2 ILE 34 3.864 6.098 10.793 247 HD11 ILE 34 3HD1 ILE 34 6.224 1.719 10.372 248 HD12 ILE 34 1HD1 ILE 34 5.946 2.621 11.862 249 HD13 ILE 34 2HD1 ILE 34 4.609 2.318 10.751 250 H HIS 35 H HIS 35 6.912 5.262 8.010 251 HA HIS 35 HA HIS 35 9.655 4.738 8.640 252 HB2 HIS 35 1HB HIS 35 8.388 4.663 5.901 253 HB3 HIS 35 2HB HIS 35 9.813 3.787 6.452 254 HD1 HIS 35 HD1 HIS 35 9.131 2.119 8.642 255 HD2 HIS 35 HD2 HIS 35 6.224 3.063 5.829 256 HE1 HIS 35 HE1 HIS 35 7.365 0.344 8.879 257 H THR 36 H THR 36 8.105 6.832 6.202 258 HA THR 36 HA THR 36 10.584 8.251 5.753 259 HB THR 36 HB THR 36 9.043 7.799 3.876 260 HG1 THR 36 HG1 THR 36 9.892 10.355 4.599 261 HG21 THR 36 3HG2 THR 36 7.212 9.608 5.441 262 HG22 THR 36 1HG2 THR 36 6.893 7.973 4.865 263 HG23 THR 36 2HG2 THR 36 7.011 9.306 3.715 264 H GLY 37 H GLY 37 9.733 8.469 8.413 265 HA2 GLY 37 1HA GLY 37 8.937 11.314 8.537 266 HA3 GLY 37 2HA GLY 37 8.462 10.131 9.747 267 H GLU 38 H GLU 38 10.221 9.114 10.999 268 HA GLU 38 HA GLU 38 12.248 11.124 11.637 269 HB2 GLU 38 1HB GLU 38 10.736 10.190 13.420 270 HB3 GLU 38 2HB GLU 38 11.535 8.640 13.198 271 HG2 GLU 38 1HG GLU 38 13.704 10.018 13.638 272 HG3 GLU 38 2HG GLU 38 12.588 11.160 14.385 273 H LYS 39 H LYS 39 12.758 9.785 9.291 274 HA LYS 39 HA LYS 39 15.311 8.603 9.881 275 HB2 LYS 39 1HB LYS 39 13.914 6.632 10.147 276 HB3 LYS 39 2HB LYS 39 13.147 6.930 8.593 277 HG2 LYS 39 1HG LYS 39 15.458 6.680 7.573 278 HG3 LYS 39 2HG LYS 39 15.959 6.039 9.140 279 HD2 LYS 39 1HD LYS 39 13.526 4.897 7.865 280 HD3 LYS 39 2HD LYS 39 15.100 4.457 7.198 281 HE2 LYS 39 1HE LYS 39 15.791 3.450 9.187 282 HE3 LYS 39 2HE LYS 39 14.562 4.278 10.142 283 HZ1 LYS 39 3HZ LYS 39 14.388 1.740 9.201 284 HZ2 LYS 39 1HZ LYS 39 13.455 2.609 8.088 285 HZ3 LYS 39 2HZ LYS 39 13.087 2.679 9.738 286 HA PRO 40 HA PRO 40 16.148 10.592 6.037 287 HB2 PRO 40 1HB PRO 40 18.561 9.461 5.519 288 HB3 PRO 40 2HB PRO 40 18.329 10.707 6.751 289 HG2 PRO 40 1HG PRO 40 18.518 7.737 7.073 290 HG3 PRO 40 2HG PRO 40 19.256 9.018 8.053 291 HD2 PRO 40 1HD PRO 40 17.013 7.708 8.818 292 HD3 PRO 40 2HD PRO 40 17.314 9.407 9.232 293 H SER 41 H SER 41 16.051 10.202 3.842 294 HA SER 41 HA SER 41 15.039 7.608 3.070 295 HB2 SER 41 1HB SER 41 14.240 9.963 2.264 296 HB3 SER 41 2HB SER 41 15.581 9.832 1.127 297 HG SER 41 HG SER 41 14.472 7.581 0.846 298 H GLY 42 H GLY 42 16.690 6.136 3.074 299 HA2 GLY 42 1HA GLY 42 18.143 5.069 1.407 300 HA3 GLY 42 2HA GLY 42 18.860 6.651 1.135 301 HA PRO 43 HA PRO 43 20.401 4.997 5.440 302 HB2 PRO 43 1HB PRO 43 20.165 2.314 5.781 303 HB3 PRO 43 2HB PRO 43 18.923 3.460 6.297 304 HG2 PRO 43 1HG PRO 43 19.036 1.776 3.825 305 HG3 PRO 43 2HG PRO 43 17.661 2.099 4.897 306 HD2 PRO 43 1HD PRO 43 18.000 3.382 2.537 307 HD3 PRO 43 2HD PRO 43 17.236 4.153 3.942 308 H SER 44 H SER 44 20.577 2.633 2.781 309 HA SER 44 HA SER 44 22.372 1.388 2.028 310 HB2 SER 44 1HB SER 44 24.157 2.914 1.109 311 HB3 SER 44 2HB SER 44 22.512 3.342 0.638 312 HG SER 44 HG SER 44 22.700 5.159 1.679 313 H SER 45 H SER 45 22.345 1.252 4.793 314 HA SER 45 HA SER 45 25.192 0.933 5.330 315 HB2 SER 45 1HB SER 45 25.119 2.077 7.457 316 HB3 SER 45 2HB SER 45 24.542 3.185 6.212 317 HG SER 45 HG SER 45 22.819 1.600 7.809 318 H GLY 46 H GLY 46 25.669 -0.723 6.747 319 HA2 GLY 46 1HA GLY 46 25.296 -2.530 8.143 320 HA3 GLY 46 2HA GLY 46 23.637 -1.985 8.342
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