NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637244 | 6o3s | 30580 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 8.667 10.284 10.904 2 H3 PRO 1 HT2 PRO 1 9.418 9.871 12.278 3 HA PRO 1 HA PRO 1 10.196 8.128 11.450 4 HB2 PRO 1 HB2 PRO 1 7.916 7.349 9.751 5 HB3 PRO 1 HB1 PRO 1 8.848 6.373 10.893 6 HG2 PRO 1 HG2 PRO 1 6.366 7.295 11.464 7 HG3 PRO 1 HG1 PRO 1 7.603 7.024 12.698 8 HD2 PRO 1 HD2 PRO 1 6.587 9.581 11.572 9 HD3 PRO 1 HD1 PRO 1 7.287 9.248 13.163 10 H ARG 2 H ARG 2 10.461 7.215 8.960 11 HA ARG 2 HA ARG 2 10.559 9.648 7.320 12 HB2 ARG 2 HB2 ARG 2 12.573 7.398 7.434 13 HB3 ARG 2 HB1 ARG 2 12.603 8.713 6.271 14 HG2 ARG 2 HG2 ARG 2 12.972 8.921 9.249 15 HG3 ARG 2 HG1 ARG 2 14.199 9.142 7.999 16 HD2 ARG 2 HD2 ARG 2 11.779 10.864 8.491 17 HD3 ARG 2 HD1 ARG 2 13.456 11.295 8.818 18 HE ARG 2 HE ARG 2 13.634 10.844 6.267 19 HH11 ARG 2 HH11 ARG 2 11.052 12.591 7.976 20 HH12 ARG 2 HH12 ARG 2 10.649 13.573 6.650 21 HH21 ARG 2 HH21 ARG 2 13.059 12.212 4.421 22 HH22 ARG 2 HH22 ARG 2 11.837 13.369 4.614 23 H GLY 3 H GLY 3 11.030 8.881 4.904 24 HA2 GLY 3 HA2 GLY 3 10.400 6.673 3.705 25 HA3 GLY 3 HA1 GLY 3 8.816 7.115 4.326 26 H SER 4 H SER 4 8.741 6.935 1.854 27 HA SER 4 HA SER 4 8.897 9.627 0.761 28 HB2 SER 4 HB2 SER 4 9.433 8.413 -1.437 29 HB3 SER 4 HB1 SER 4 10.657 8.232 -0.200 30 HG SER 4 HG SER 4 10.209 6.230 0.045 31 HA PRO 5 HA PRO 5 4.522 9.010 -0.076 32 HB2 PRO 5 HB2 PRO 5 4.003 9.362 -2.626 33 HB3 PRO 5 HB1 PRO 5 4.630 10.710 -1.637 34 HG2 PRO 5 HG2 PRO 5 6.099 8.773 -3.375 35 HG3 PRO 5 HG1 PRO 5 6.153 10.542 -3.487 36 HD2 PRO 5 HD2 PRO 5 8.042 9.289 -2.226 37 HD3 PRO 5 HD1 PRO 5 7.345 10.733 -1.456 38 H ARG 6 H ARG 6 6.520 6.803 -1.289 39 HA ARG 6 HA ARG 6 4.384 5.093 -2.462 40 HB2 ARG 6 HB2 ARG 6 6.208 3.666 -3.342 41 HB3 ARG 6 HB1 ARG 6 6.205 5.307 -3.998 42 HG2 ARG 6 HG2 ARG 6 8.081 5.901 -2.630 43 HG3 ARG 6 HG1 ARG 6 7.984 4.378 -1.752 44 HD2 ARG 6 HD2 ARG 6 8.644 3.143 -3.694 45 HD3 ARG 6 HD1 ARG 6 8.531 4.582 -4.707 46 HE ARG 6 HE ARG 6 10.344 5.484 -3.246 47 HH11 ARG 6 HH11 ARG 6 10.075 1.931 -3.588 48 HH12 ARG 6 HH12 ARG 6 11.734 1.673 -3.667 49 HH21 ARG 6 HH21 ARG 6 12.648 5.099 -3.295 50 HH22 ARG 6 HH22 ARG 6 13.269 3.533 -3.476 51 H THR 7 H THR 7 6.474 5.429 0.155 52 HA THR 7 HA THR 7 7.229 2.984 0.901 53 HB THR 7 HB THR 7 6.456 5.256 2.706 54 HG1 THR 7 HG1 THR 7 8.715 4.639 1.100 55 HG21 THR 7 HG21 THR 7 7.026 3.156 3.814 56 HG22 THR 7 HG22 THR 7 8.274 4.415 4.034 57 HG23 THR 7 HG23 THR 7 8.513 3.111 2.849 58 H GLU 8 H GLU 8 4.116 4.481 1.885 59 HA GLU 8 HA GLU 8 3.428 2.455 3.729 60 HB2 GLU 8 HB2 GLU 8 2.285 4.659 3.630 61 HB3 GLU 8 HB1 GLU 8 1.535 4.144 2.121 62 HG2 GLU 8 HG2 GLU 8 0.421 2.319 3.269 63 HG3 GLU 8 HG1 GLU 8 1.176 2.803 4.784 64 H TYR 9 H TYR 9 2.801 2.806 0.300 65 HA TYR 9 HA TYR 9 1.019 0.642 0.072 66 HB2 TYR 9 HB2 TYR 9 0.828 2.379 -1.474 67 HB3 TYR 9 HB1 TYR 9 2.559 2.465 -1.737 68 HD1 TYR 9 HD1 TYR 9 -0.463 0.569 -2.442 69 HD2 TYR 9 HD2 TYR 9 3.574 1.210 -3.283 70 HE1 TYR 9 HE1 TYR 9 -0.705 -0.871 -4.438 71 HE2 TYR 9 HE2 TYR 9 3.439 -0.214 -5.314 72 HH TYR 9 HH TYR 9 0.544 -1.085 -6.665 73 H GLU 10 H GLU 10 4.368 1.233 -0.767 74 HA GLU 10 HA GLU 10 5.056 -1.241 -1.802 75 HB2 GLU 10 HB2 GLU 10 6.265 0.864 -2.073 76 HB3 GLU 10 HB1 GLU 10 6.718 0.815 -0.384 77 HG2 GLU 10 HG2 GLU 10 8.056 -1.135 -0.759 78 HG3 GLU 10 HG1 GLU 10 7.522 -1.206 -2.443 79 H ALA 11 H ALA 11 5.571 0.058 1.486 80 HA ALA 11 HA ALA 11 6.779 -2.231 2.549 81 HB1 ALA 11 HB1 ALA 11 6.946 -0.030 3.597 82 HB2 ALA 11 HB2 ALA 11 6.333 -1.234 4.734 83 HB3 ALA 11 HB3 ALA 11 5.227 -0.084 3.984 84 H CYS 12 H CYS 12 3.444 -1.332 2.140 85 HA CYS 12 HA CYS 12 2.278 -3.247 3.852 86 HB2 CYS 12 HB2 CYS 12 1.068 -1.307 2.845 87 HB3 CYS 12 HB1 CYS 12 1.177 -2.098 1.286 88 H ARG 13 H ARG 13 3.141 -3.295 0.407 89 HA ARG 13 HA ARG 13 2.172 -5.896 -0.080 90 HB2 ARG 13 HB2 ARG 13 4.307 -4.360 -1.580 91 HB3 ARG 13 HB1 ARG 13 3.513 -5.817 -2.160 92 HG2 ARG 13 HG2 ARG 13 1.347 -4.584 -2.091 93 HG3 ARG 13 HG1 ARG 13 2.248 -3.126 -1.675 94 HD2 ARG 13 HD2 ARG 13 1.802 -3.134 -4.048 95 HD3 ARG 13 HD1 ARG 13 3.529 -3.372 -3.787 96 HE ARG 13 HE ARG 13 2.615 -5.889 -3.949 97 HH11 ARG 13 HH11 ARG 13 2.232 -3.111 -6.158 98 HH12 ARG 13 HH12 ARG 13 2.016 -4.093 -7.521 99 HH21 ARG 13 HH21 ARG 13 2.334 -7.170 -5.805 100 HH22 ARG 13 HH22 ARG 13 2.073 -6.445 -7.345 101 H VAL 14 H VAL 14 5.340 -4.642 0.781 102 HA VAL 14 HA VAL 14 6.722 -7.094 0.761 103 HB VAL 14 HB VAL 14 7.267 -4.612 2.430 104 HG11 VAL 14 HG11 VAL 14 9.561 -5.459 2.658 105 HG12 VAL 14 HG12 VAL 14 9.096 -6.942 1.825 106 HG13 VAL 14 3HG1 VAL 14 8.395 -6.559 3.397 107 HG21 VAL 14 HG21 VAL 14 8.420 -5.539 -0.197 108 HG22 VAL 14 HG22 VAL 14 8.949 -4.125 0.709 109 HG23 VAL 14 HG23 VAL 14 7.317 -4.182 0.040 110 H ARG 15 H ARG 15 5.035 -5.415 3.385 111 HA ARG 15 HA ARG 15 5.578 -7.090 5.539 112 HB2 ARG 15 HB2 ARG 15 4.360 -4.897 5.624 113 HB3 ARG 15 HB1 ARG 15 2.955 -5.704 4.956 114 HG2 ARG 15 HG2 ARG 15 2.927 -7.187 6.954 115 HG3 ARG 15 HG1 ARG 15 4.233 -6.212 7.633 116 HD2 ARG 15 HD2 ARG 15 2.191 -5.391 8.549 117 HD3 ARG 15 HD1 ARG 15 2.753 -4.206 7.372 118 HE ARG 15 HE ARG 15 0.672 -6.204 6.757 119 HH11 ARG 15 HH11 ARG 15 1.825 -2.844 6.531 120 HH12 ARG 15 HH12 ARG 15 0.389 -2.270 5.834 121 HH21 ARG 15 HH21 ARG 15 -1.263 -5.409 5.794 122 HH22 ARG 15 HH22 ARG 15 -1.419 -3.772 5.375 123 H CYS 16 H CYS 16 2.801 -7.161 3.345 124 HA CYS 16 HA CYS 16 1.861 -9.594 4.426 125 HB2 CYS 16 HB2 CYS 16 1.026 -8.072 1.966 126 HB3 CYS 16 HB1 CYS 16 0.182 -9.488 2.595 127 H GLN 17 H GLN 17 4.256 -8.964 2.103 128 HA GLN 17 HA GLN 17 3.875 -11.416 0.672 129 HB2 GLN 17 HB2 GLN 17 5.049 -9.393 -0.274 130 HB3 GLN 17 HB1 GLN 17 6.380 -9.734 0.821 131 HG2 GLN 17 HG2 GLN 17 6.820 -10.573 -1.416 132 HG3 GLN 17 HG1 GLN 17 6.731 -11.884 -0.238 133 HE21 GLN 17 1HE2 GLN 17 6.226 -13.394 -1.789 134 HE22 GLN 17 2HE2 GLN 17 4.698 -13.462 -2.586 135 H VAL 18 H VAL 18 5.807 -10.262 3.340 136 HA VAL 18 HA VAL 18 7.184 -12.773 3.658 137 HB VAL 18 HB VAL 18 7.080 -10.405 5.546 138 HG11 VAL 18 HG11 VAL 18 7.842 -12.434 6.639 139 HG12 VAL 18 HG12 VAL 18 9.178 -11.300 6.452 140 HG13 VAL 18 3HG1 VAL 18 9.044 -12.688 5.374 141 HG21 VAL 18 HG21 VAL 18 9.092 -11.035 3.385 142 HG22 VAL 18 HG22 VAL 18 9.239 -9.739 4.572 143 HG23 VAL 18 HG23 VAL 18 7.938 -9.702 3.381 144 H ALA 19 H ALA 19 4.801 -10.908 5.521 145 HA ALA 19 HA ALA 19 4.556 -12.925 7.513 146 HB1 ALA 19 HB1 ALA 19 4.348 -10.541 8.020 147 HB2 ALA 19 HB2 ALA 19 2.946 -11.470 8.551 148 HB3 ALA 19 HB3 ALA 19 2.849 -10.487 7.089 149 H GLU 20 H GLU 20 2.538 -12.001 4.748 150 HA GLU 20 HA GLU 20 0.494 -13.898 5.649 151 HB2 GLU 20 HB2 GLU 20 0.511 -12.090 3.228 152 HB3 GLU 20 HB1 GLU 20 -0.840 -13.069 3.763 153 HG2 GLU 20 HG2 GLU 20 0.382 -10.820 5.337 154 HG3 GLU 20 HG1 GLU 20 -1.045 -10.670 4.317 155 H HIS 21 H HIS 21 2.181 -13.199 2.615 156 HA HIS 21 HA HIS 21 2.655 -14.401 0.792 157 HB2 HIS 21 HB2 HIS 21 4.374 -15.358 2.284 158 HB3 HIS 21 HB1 HIS 21 3.245 -16.611 2.781 159 HD1 HIS 21 HD1 HIS 21 3.888 -18.783 1.687 160 HD2 HIS 21 HD2 HIS 21 4.544 -15.514 -0.799 161 HE1 HIS 21 HE1 HIS 21 4.761 -19.715 -0.475 162 H GLY 22 H GLY 22 0.654 -14.335 -0.097 163 HA2 GLY 22 HA2 GLY 22 -0.439 -16.714 -0.935 164 HA3 GLY 22 HA1 GLY 22 -1.395 -16.160 0.447 165 H VAL 23 H VAL 23 -2.147 -16.353 -2.397 166 HA VAL 23 HA VAL 23 -2.023 -13.814 -3.622 167 HB VAL 23 HB VAL 23 -4.013 -16.038 -4.164 168 HG11 VAL 23 HG11 VAL 23 -4.260 -15.020 -6.370 169 HG12 VAL 23 HG12 VAL 23 -3.218 -13.690 -5.867 170 HG13 VAL 23 3HG1 VAL 23 -4.772 -13.937 -5.078 171 HG21 VAL 23 HG21 VAL 23 -2.507 -16.686 -5.968 172 HG22 VAL 23 HG22 VAL 23 -1.704 -16.796 -4.400 173 HG23 VAL 23 HG23 VAL 23 -1.367 -15.438 -5.475 174 H GLU 24 H GLU 24 -4.607 -15.399 -1.778 175 HA GLU 24 HA GLU 24 -6.557 -13.428 -2.183 176 HB2 GLU 24 HB2 GLU 24 -6.923 -15.769 -1.381 177 HB3 GLU 24 HB1 GLU 24 -6.255 -15.281 0.171 178 HG2 GLU 24 HG2 GLU 24 -8.598 -15.266 0.349 179 HG3 GLU 24 HG1 GLU 24 -8.032 -13.589 0.331 180 H ARG 25 H ARG 25 -4.198 -13.966 0.341 181 HA ARG 25 HA ARG 25 -5.022 -11.756 1.921 182 HB2 ARG 25 HB2 ARG 25 -2.503 -13.403 1.966 183 HB3 ARG 25 HB1 ARG 25 -2.868 -12.145 3.142 184 HG2 ARG 25 HG2 ARG 25 -4.896 -13.355 3.798 185 HG3 ARG 25 HG1 ARG 25 -4.505 -14.626 2.642 186 HD2 ARG 25 HD2 ARG 25 -2.491 -15.154 3.836 187 HD3 ARG 25 HD1 ARG 25 -2.727 -13.784 4.918 188 HE ARG 25 HE ARG 25 -4.478 -16.142 4.800 189 HH11 ARG 25 HH11 ARG 25 -3.082 -13.448 6.643 190 HH12 ARG 25 HH12 ARG 25 -3.616 -14.043 8.149 191 HH21 ARG 25 HH21 ARG 25 -5.199 -16.910 6.839 192 HH22 ARG 25 HH22 ARG 25 -4.854 -16.054 8.280 193 H GLN 26 H GLN 26 -2.660 -12.185 -0.624 194 HA GLN 26 HA GLN 26 -1.385 -9.689 -0.380 195 HB2 GLN 26 HB2 GLN 26 -0.428 -11.518 -1.677 196 HB3 GLN 26 HB1 GLN 26 -1.799 -11.496 -2.767 197 HG2 GLN 26 HG2 GLN 26 -1.120 -9.386 -3.674 198 HG3 GLN 26 HG1 GLN 26 0.152 -9.223 -2.462 199 HE21 GLN 26 1HE2 GLN 26 0.297 -9.329 -5.403 200 HE22 GLN 26 2HE2 GLN 26 1.388 -10.629 -5.752 201 H ARG 27 H ARG 27 -4.182 -10.799 -2.224 202 HA ARG 27 HA ARG 27 -4.847 -8.437 -3.569 203 HB2 ARG 27 HB2 ARG 27 -6.725 -10.500 -2.408 204 HB3 ARG 27 HB1 ARG 27 -7.189 -9.255 -3.546 205 HG2 ARG 27 HG2 ARG 27 -5.753 -10.257 -5.234 206 HG3 ARG 27 HG1 ARG 27 -5.257 -11.496 -4.076 207 HD2 ARG 27 HD2 ARG 27 -6.996 -12.388 -5.488 208 HD3 ARG 27 HD1 ARG 27 -7.623 -12.183 -3.852 209 HE ARG 27 HE ARG 27 -8.096 -10.132 -5.891 210 HH11 ARG 27 HH11 ARG 27 -9.463 -12.367 -3.471 211 HH12 ARG 27 HH12 ARG 27 -11.069 -12.040 -3.887 212 HH21 ARG 27 HH21 ARG 27 -10.303 -9.639 -6.401 213 HH22 ARG 27 HH22 ARG 27 -11.574 -10.421 -5.563 214 H ARG 28 H ARG 28 -5.834 -9.618 -0.405 215 HA ARG 28 HA ARG 28 -7.540 -7.581 0.393 216 HB2 ARG 28 HB2 ARG 28 -7.282 -9.700 1.583 217 HB3 ARG 28 HB1 ARG 28 -5.666 -9.230 2.080 218 HG2 ARG 28 HG2 ARG 28 -6.605 -7.375 3.367 219 HG3 ARG 28 HG1 ARG 28 -8.232 -7.877 2.895 220 HD2 ARG 28 HD2 ARG 28 -6.240 -9.494 4.482 221 HD3 ARG 28 HD1 ARG 28 -7.697 -8.723 5.108 222 HE ARG 28 HE ARG 28 -8.741 -10.237 3.246 223 HH11 ARG 28 HH11 ARG 28 -6.314 -11.074 5.688 224 HH12 ARG 28 HH12 ARG 28 -6.746 -12.725 5.758 225 HH21 ARG 28 HH21 ARG 28 -9.322 -12.520 3.327 226 HH22 ARG 28 HH22 ARG 28 -8.494 -13.566 4.368 227 H CYS 29 H CYS 29 -4.063 -7.907 1.170 228 HA CYS 29 HA CYS 29 -3.807 -5.459 2.480 229 HB2 CYS 29 HB2 CYS 29 -1.745 -7.124 1.033 230 HB3 CYS 29 HB1 CYS 29 -1.380 -5.781 2.108 231 H GLN 30 H GLN 30 -3.233 -6.382 -0.909 232 HA GLN 30 HA GLN 30 -2.206 -3.923 -1.731 233 HB2 GLN 30 HB2 GLN 30 -2.004 -5.974 -3.070 234 HB3 GLN 30 HB1 GLN 30 -3.738 -5.976 -3.337 235 HG2 GLN 30 HG2 GLN 30 -2.666 -5.150 -5.300 236 HG3 GLN 30 HG1 GLN 30 -3.513 -3.813 -4.530 237 HE21 GLN 30 1HE2 GLN 30 -1.367 -3.757 -6.424 238 HE22 GLN 30 2HE2 GLN 30 -0.058 -2.905 -5.685 239 H GLN 31 H GLN 31 -5.513 -5.182 -1.760 240 HA GLN 31 HA GLN 31 -6.707 -3.070 -3.114 241 HB2 GLN 31 HB2 GLN 31 -7.824 -5.206 -2.738 242 HB3 GLN 31 HB1 GLN 31 -7.915 -4.878 -1.022 243 HG2 GLN 31 HG2 GLN 31 -10.053 -4.506 -2.108 244 HG3 GLN 31 HG1 GLN 31 -9.410 -2.995 -1.462 245 HE21 GLN 31 1HE2 GLN 31 -8.710 -1.428 -2.886 246 HE22 GLN 31 2HE2 GLN 31 -9.086 -1.445 -4.564 247 H VAL 32 H VAL 32 -6.060 -3.387 0.350 248 HA VAL 32 HA VAL 32 -7.442 -0.912 0.802 249 HB VAL 32 HB VAL 32 -7.558 -2.604 2.579 250 HG11 VAL 32 HG11 VAL 32 -5.647 -3.096 4.032 251 HG12 VAL 32 HG12 VAL 32 -4.600 -2.209 2.922 252 HG13 VAL 32 3HG1 VAL 32 -5.420 -3.674 2.380 253 HG21 VAL 32 HG21 VAL 32 -6.105 -0.116 3.461 254 HG22 VAL 32 HG22 VAL 32 -7.036 -1.181 4.514 255 HG23 VAL 32 HG23 VAL 32 -7.844 -0.287 3.225 256 H CYS 33 H CYS 33 -4.049 -1.918 0.720 257 HA CYS 33 HA CYS 33 -3.138 0.653 1.491 258 HB2 CYS 33 HB2 CYS 33 -1.638 -1.679 0.324 259 HB3 CYS 33 HB1 CYS 33 -0.890 -0.228 0.984 260 H GLU 34 H GLU 34 -3.698 -0.851 -1.631 261 HA GLU 34 HA GLU 34 -2.355 1.117 -3.165 262 HB2 GLU 34 HB2 GLU 34 -3.023 -1.147 -3.987 263 HB3 GLU 34 HB1 GLU 34 -4.699 -0.650 -3.894 264 HG2 GLU 34 HG2 GLU 34 -4.232 1.094 -5.563 265 HG3 GLU 34 HG1 GLU 34 -2.581 0.484 -5.692 266 H LYS 35 H LYS 35 -5.611 0.708 -1.902 267 HA LYS 35 HA LYS 35 -6.663 2.997 -3.204 268 HB2 LYS 35 HB2 LYS 35 -8.036 1.077 -2.279 269 HB3 LYS 35 HB1 LYS 35 -7.719 1.726 -0.676 270 HG2 LYS 35 HG2 LYS 35 -8.880 3.785 -1.244 271 HG3 LYS 35 HG1 LYS 35 -9.134 3.209 -2.890 272 HD2 LYS 35 HD2 LYS 35 -11.170 2.874 -1.677 273 HD3 LYS 35 HD1 LYS 35 -10.431 1.296 -1.937 274 HE2 LYS 35 HE2 LYS 35 -11.236 1.368 0.309 275 HE3 LYS 35 HE1 LYS 35 -9.481 1.456 0.382 276 HZ1 LYS 35 HZ1 LYS 35 -10.301 3.061 1.869 277 HZ2 LYS 35 HZ2 LYS 35 -11.445 3.620 0.784 278 HZ3 LYS 35 HZ3 LYS 35 -9.830 3.987 0.527 279 H ARG 36 H ARG 36 -5.380 2.391 0.056 280 HA ARG 36 HA ARG 36 -5.633 4.934 1.150 281 HB2 ARG 36 HB2 ARG 36 -3.465 2.871 1.540 282 HB3 ARG 36 HB1 ARG 36 -3.519 4.367 2.455 283 HG2 ARG 36 HG2 ARG 36 -5.651 3.750 3.404 284 HG3 ARG 36 HG1 ARG 36 -5.694 2.296 2.406 285 HD2 ARG 36 HD2 ARG 36 -5.024 1.806 4.703 286 HD3 ARG 36 HD1 ARG 36 -3.750 1.419 3.550 287 HE ARG 36 HE ARG 36 -2.768 3.634 4.219 288 HH11 ARG 36 HH11 ARG 36 -4.663 1.633 6.498 289 HH12 ARG 36 HH12 ARG 36 -3.928 2.257 7.882 290 HH21 ARG 36 HH21 ARG 36 -1.683 4.409 6.167 291 HH22 ARG 36 HH22 ARG 36 -2.205 3.913 7.711 292 H LEU 37 H LEU 37 -3.061 3.616 -0.837 293 HA LEU 37 HA LEU 37 -1.353 5.824 -0.905 294 HB2 LEU 37 HB2 LEU 37 -0.859 3.464 -1.583 295 HB3 LEU 37 HB1 LEU 37 -1.821 3.702 -3.011 296 HG LEU 37 HG LEU 37 0.658 3.729 -3.382 297 HD11 LEU 37 HD11 LEU 37 -0.766 4.742 -5.039 298 HD12 LEU 37 HD12 LEU 37 0.742 5.643 -4.873 299 HD13 LEU 37 HD13 LEU 37 -0.743 6.271 -4.157 300 HD21 LEU 37 HD21 LEU 37 0.514 6.329 -1.890 301 HD22 LEU 37 HD22 LEU 37 1.921 5.723 -2.753 302 HD23 LEU 37 HD23 LEU 37 1.311 4.857 -1.344 303 H ARG 38 H ARG 38 -3.771 4.735 -3.257 304 HA ARG 38 HA ARG 38 -3.448 6.866 -5.040 305 HB2 ARG 38 HB2 ARG 38 -4.421 4.689 -5.619 306 HB3 ARG 38 HB1 ARG 38 -5.835 5.072 -4.656 307 HG2 ARG 38 HG2 ARG 38 -6.344 6.938 -6.165 308 HG3 ARG 38 HG1 ARG 38 -4.937 6.515 -7.144 309 HD2 ARG 38 HD2 ARG 38 -6.967 5.581 -8.108 310 HD3 ARG 38 HD1 ARG 38 -5.890 4.298 -7.551 311 HE ARG 38 HE ARG 38 -8.153 5.270 -5.960 312 HH11 ARG 38 HH11 ARG 38 -6.384 2.557 -7.431 313 HH12 ARG 38 HH12 ARG 38 -7.320 1.368 -6.696 314 HH21 ARG 38 HH21 ARG 38 -9.443 3.567 -4.917 315 HH22 ARG 38 HH22 ARG 38 -9.074 1.929 -5.227 316 H GLU 39 H GLU 39 -5.743 6.442 -2.358 317 HA GLU 39 HA GLU 39 -7.139 8.835 -2.994 318 HB2 GLU 39 HB2 GLU 39 -7.057 7.285 -0.416 319 HB3 GLU 39 HB1 GLU 39 -8.138 8.636 -0.721 320 HG2 GLU 39 HG2 GLU 39 -9.126 7.353 -2.607 321 HG3 GLU 39 HG1 GLU 39 -8.111 5.985 -2.151 322 H ARG 40 H ARG 40 -4.375 8.100 -0.966 323 HA ARG 40 HA ARG 40 -4.314 10.653 0.303 324 HB2 ARG 40 HB2 ARG 40 -3.140 8.732 1.305 325 HB3 ARG 40 HB1 ARG 40 -2.092 8.650 -0.099 326 HG2 ARG 40 HG2 ARG 40 -1.188 10.853 0.431 327 HG3 ARG 40 HG1 ARG 40 -2.238 10.942 1.845 328 HD2 ARG 40 HD2 ARG 40 -0.215 8.770 1.392 329 HD3 ARG 40 HD1 ARG 40 0.117 10.236 2.309 330 HE ARG 40 HE ARG 40 -1.505 9.524 3.900 331 HH11 ARG 40 HH11 ARG 40 -0.714 7.012 1.515 332 HH12 ARG 40 HH12 ARG 40 -0.973 5.730 2.633 333 HH21 ARG 40 HH21 ARG 40 -1.778 7.747 5.389 334 HH22 ARG 40 HH22 ARG 40 -1.439 6.152 4.842 335 H GLU 41 H GLU 41 -2.427 9.226 -2.348 336 HA GLU 41 HA GLU 41 -1.076 11.629 -2.900 337 HB2 GLU 41 HB2 GLU 41 -1.490 9.167 -4.589 338 HB3 GLU 41 HB1 GLU 41 -0.469 10.516 -5.064 339 HG2 GLU 41 HG2 GLU 41 -0.092 8.773 -2.641 340 HG3 GLU 41 HG1 GLU 41 0.852 8.706 -4.127 341 H GLY 42 H GLY 42 -4.124 10.297 -4.002 342 HA2 GLY 42 HA2 GLY 42 -4.516 12.157 -6.099 343 HA3 GLY 42 HA1 GLY 42 -5.772 11.209 -5.301 344 H ARG 43 H ARG 43 -4.937 12.262 -2.689 345 HA ARG 43 HA ARG 43 -6.499 14.703 -2.678 346 HB2 ARG 43 HB2 ARG 43 -6.905 12.936 -1.024 347 HB3 ARG 43 HB1 ARG 43 -5.246 13.033 -0.488 348 HG2 ARG 43 HG2 ARG 43 -5.638 15.179 0.502 349 HG3 ARG 43 HG1 ARG 43 -7.258 15.253 -0.201 350 HD2 ARG 43 HD2 ARG 43 -6.329 13.137 1.733 351 HD3 ARG 43 HD1 ARG 43 -7.252 14.569 2.191 352 HE ARG 43 HE ARG 43 -9.003 13.769 0.695 353 HH11 ARG 43 HH11 ARG 43 -6.721 11.359 1.943 354 HH12 ARG 43 HH12 ARG 43 -7.811 10.059 1.891 355 HH21 ARG 43 HH21 ARG 43 -10.505 11.965 0.587 356 HH22 ARG 43 HH22 ARG 43 -10.022 10.411 1.057 357 H ARG 44 H ARG 44 -3.355 13.911 -3.159 358 HA ARG 44 HA ARG 44 -2.334 16.384 -2.005 359 HB2 ARG 44 HB2 ARG 44 -0.929 13.851 -2.841 360 HB3 ARG 44 HB1 ARG 44 -0.081 15.345 -2.477 361 HG2 ARG 44 HG2 ARG 44 -0.897 15.298 -0.206 362 HG3 ARG 44 HG1 ARG 44 -1.848 13.848 -0.554 363 HD2 ARG 44 HD2 ARG 44 0.153 12.585 -0.976 364 HD3 ARG 44 HD1 ARG 44 1.137 14.040 -0.837 365 HE ARG 44 HE ARG 44 -0.161 13.868 1.533 366 HH11 ARG 44 HH11 ARG 44 1.803 11.496 -0.254 367 HH12 ARG 44 HH12 ARG 44 2.623 10.937 1.129 368 HH21 ARG 44 HH21 ARG 44 0.939 13.062 3.428 369 HH22 ARG 44 HH22 ARG 44 2.126 11.841 3.289 370 H GLU 45 H GLU 45 -0.431 17.188 -3.414 371 HA GLU 45 HA GLU 45 -1.330 17.223 -6.196 372 HB2 GLU 45 HB2 GLU 45 -1.758 19.316 -4.914 373 HB3 GLU 45 HB1 GLU 45 -0.039 19.437 -4.593 374 HG2 GLU 45 HG2 GLU 45 0.430 19.818 -6.897 375 HG3 GLU 45 HG1 GLU 45 -1.240 19.466 -7.344 376 H VAL 46 H VAL 46 0.111 16.221 -7.434 377 HA VAL 46 HA VAL 46 2.784 15.748 -6.402 378 HB VAL 46 HB VAL 46 1.392 13.860 -7.307 379 HG11 VAL 46 HG11 VAL 46 0.246 14.875 -9.109 380 HG12 VAL 46 HG12 VAL 46 1.200 13.526 -9.727 381 HG13 VAL 46 3HG1 VAL 46 1.756 15.182 -9.962 382 HG21 VAL 46 HG21 VAL 46 4.003 14.335 -8.728 383 HG22 VAL 46 HG22 VAL 46 3.178 12.781 -8.627 384 HG23 VAL 46 HG23 VAL 46 3.780 13.553 -7.161 385 H ASP 47 H ASP 47 4.650 16.376 -7.476 386 HA ASP 47 HA ASP 47 4.282 18.590 -9.330 387 HB2 ASP 47 HB2 ASP 47 6.670 17.665 -7.723 388 HB3 ASP 47 HB1 ASP 47 6.795 18.893 -8.971 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 14.964 10.539 -2.918 2 H3 PRO 1 HT2 PRO 1 14.852 9.025 -3.512 3 HA PRO 1 HA PRO 1 13.230 8.446 -2.267 4 HB2 PRO 1 HB2 PRO 1 13.321 10.447 -0.179 5 HB3 PRO 1 HB1 PRO 1 13.330 8.685 -0.035 6 HG2 PRO 1 HG2 PRO 1 15.592 10.534 0.010 7 HG3 PRO 1 HG1 PRO 1 15.534 8.827 0.473 8 HD2 PRO 1 HD2 PRO 1 16.853 9.711 -1.758 9 HD3 PRO 1 HD1 PRO 1 16.117 8.101 -1.648 10 H ARG 2 H ARG 2 11.123 9.592 -1.867 11 HA ARG 2 HA ARG 2 11.018 12.279 -2.964 12 HB2 ARG 2 HB2 ARG 2 9.331 9.956 -3.966 13 HB3 ARG 2 HB1 ARG 2 9.064 11.637 -4.384 14 HG2 ARG 2 HG2 ARG 2 11.304 11.678 -5.443 15 HG3 ARG 2 HG1 ARG 2 11.454 9.955 -5.115 16 HD2 ARG 2 HD2 ARG 2 9.309 11.252 -6.799 17 HD3 ARG 2 HD1 ARG 2 10.714 10.392 -7.418 18 HE ARG 2 HE ARG 2 9.445 8.616 -5.788 19 HH11 ARG 2 HH11 ARG 2 8.482 10.533 -8.614 20 HH12 ARG 2 HH12 ARG 2 7.373 9.407 -9.206 21 HH21 ARG 2 HH21 ARG 2 7.907 7.053 -6.587 22 HH22 ARG 2 HH22 ARG 2 7.030 7.349 -8.024 23 H GLY 3 H GLY 3 8.544 12.936 -2.763 24 HA2 GLY 3 HA2 GLY 3 7.845 12.453 0.000 25 HA3 GLY 3 HA1 GLY 3 7.050 13.583 -1.098 26 H SER 4 H SER 4 7.307 10.949 -2.833 27 HA SER 4 HA SER 4 4.691 10.249 -3.025 28 HB2 SER 4 HB2 SER 4 7.126 8.569 -3.566 29 HB3 SER 4 HB1 SER 4 5.543 8.409 -4.330 30 HG SER 4 HG SER 4 6.131 9.820 -5.668 31 HA PRO 5 HA PRO 5 4.367 7.904 0.866 32 HB2 PRO 5 HB2 PRO 5 1.732 7.578 0.777 33 HB3 PRO 5 HB1 PRO 5 2.449 9.159 1.174 34 HG2 PRO 5 HG2 PRO 5 1.366 8.152 -1.434 35 HG3 PRO 5 HG1 PRO 5 1.070 9.709 -0.647 36 HD2 PRO 5 HD2 PRO 5 2.839 9.429 -2.628 37 HD3 PRO 5 HD1 PRO 5 3.100 10.567 -1.293 38 H ARG 6 H ARG 6 3.929 6.950 -2.242 39 HA ARG 6 HA ARG 6 2.717 4.453 -2.103 40 HB2 ARG 6 HB2 ARG 6 4.025 3.757 -4.065 41 HB3 ARG 6 HB1 ARG 6 3.214 5.312 -4.267 42 HG2 ARG 6 HG2 ARG 6 5.324 6.454 -3.948 43 HG3 ARG 6 HG1 ARG 6 6.125 4.922 -3.609 44 HD2 ARG 6 HD2 ARG 6 4.700 5.491 -6.187 45 HD3 ARG 6 HD1 ARG 6 6.417 5.807 -5.969 46 HE ARG 6 HE ARG 6 6.235 3.252 -5.218 47 HH11 ARG 6 HH11 ARG 6 4.915 4.849 -8.088 48 HH12 ARG 6 HH12 ARG 6 5.153 3.503 -9.110 49 HH21 ARG 6 HH21 ARG 6 6.577 1.405 -6.647 50 HH22 ARG 6 HH22 ARG 6 6.116 1.529 -8.287 51 H THR 7 H THR 7 5.771 5.386 -0.959 52 HA THR 7 HA THR 7 7.151 2.994 -0.815 53 HB THR 7 HB THR 7 8.165 4.110 1.261 54 HG1 THR 7 HG1 THR 7 7.543 6.406 1.292 55 HG21 THR 7 HG21 THR 7 8.076 5.618 -1.365 56 HG22 THR 7 HG22 THR 7 9.172 4.287 -0.971 57 HG23 THR 7 HG23 THR 7 9.297 5.814 -0.110 58 H GLU 8 H GLU 8 4.807 4.367 1.462 59 HA GLU 8 HA GLU 8 4.842 2.300 3.404 60 HB2 GLU 8 HB2 GLU 8 2.674 4.244 2.605 61 HB3 GLU 8 HB1 GLU 8 2.582 3.203 4.014 62 HG2 GLU 8 HG2 GLU 8 4.699 5.288 3.548 63 HG3 GLU 8 HG1 GLU 8 3.261 5.510 4.547 64 H TYR 9 H TYR 9 3.054 2.855 0.517 65 HA TYR 9 HA TYR 9 1.159 0.794 0.687 66 HB2 TYR 9 HB2 TYR 9 0.565 2.559 -0.659 67 HB3 TYR 9 HB1 TYR 9 2.188 2.751 -1.275 68 HD1 TYR 9 HD1 TYR 9 -1.067 1.371 -1.858 69 HD2 TYR 9 HD2 TYR 9 2.966 1.266 -3.014 70 HE1 TYR 9 HE1 TYR 9 -1.739 0.426 -4.013 71 HE2 TYR 9 HE2 TYR 9 2.392 0.278 -5.169 72 HH TYR 9 HH TYR 9 -0.745 0.280 -6.381 73 H GLU 10 H GLU 10 4.277 1.074 -1.016 74 HA GLU 10 HA GLU 10 4.137 -1.523 -2.144 75 HB2 GLU 10 HB2 GLU 10 6.566 0.254 -1.761 76 HB3 GLU 10 HB1 GLU 10 6.475 -1.182 -2.784 77 HG2 GLU 10 HG2 GLU 10 4.803 -0.084 -4.177 78 HG3 GLU 10 HG1 GLU 10 4.903 1.337 -3.137 79 H ALA 11 H ALA 11 5.575 -0.188 0.775 80 HA ALA 11 HA ALA 11 6.924 -2.478 1.644 81 HB1 ALA 11 HB1 ALA 11 5.573 -0.353 3.317 82 HB2 ALA 11 HB2 ALA 11 7.223 -0.282 2.702 83 HB3 ALA 11 HB3 ALA 11 6.780 -1.502 3.894 84 H CYS 12 H CYS 12 3.618 -1.410 2.022 85 HA CYS 12 HA CYS 12 2.586 -3.394 3.677 86 HB2 CYS 12 HB2 CYS 12 1.278 -1.447 3.149 87 HB3 CYS 12 HB1 CYS 12 1.313 -1.823 1.434 88 H ARG 13 H ARG 13 3.060 -3.390 0.177 89 HA ARG 13 HA ARG 13 1.686 -5.802 -0.349 90 HB2 ARG 13 HB2 ARG 13 3.939 -4.585 -1.946 91 HB3 ARG 13 HB1 ARG 13 2.798 -5.793 -2.514 92 HG2 ARG 13 HG2 ARG 13 0.977 -4.136 -2.199 93 HG3 ARG 13 HG1 ARG 13 2.200 -2.938 -1.781 94 HD2 ARG 13 HD2 ARG 13 1.922 -4.402 -4.402 95 HD3 ARG 13 HD1 ARG 13 1.579 -2.703 -4.106 96 HE ARG 13 HE ARG 13 4.287 -3.526 -3.534 97 HH11 ARG 13 HH11 ARG 13 2.109 -2.241 -6.012 98 HH12 ARG 13 HH12 ARG 13 3.331 -1.588 -6.974 99 HH21 ARG 13 HH21 ARG 13 5.985 -2.688 -4.859 100 HH22 ARG 13 HH22 ARG 13 5.639 -1.838 -6.286 101 H VAL 14 H VAL 14 5.169 -5.107 -0.072 102 HA VAL 14 HA VAL 14 5.939 -7.805 -0.300 103 HB VAL 14 HB VAL 14 7.436 -5.896 -0.733 104 HG11 VAL 14 HG11 VAL 14 6.954 -4.437 1.062 105 HG12 VAL 14 HG12 VAL 14 8.683 -4.798 1.057 106 HG13 VAL 14 3HG1 VAL 14 7.617 -5.575 2.231 107 HG21 VAL 14 HG21 VAL 14 8.420 -8.085 -0.514 108 HG22 VAL 14 HG22 VAL 14 8.521 -7.897 1.236 109 HG23 VAL 14 HG23 VAL 14 9.510 -6.885 0.183 110 H ARG 15 H ARG 15 5.224 -5.812 2.403 111 HA ARG 15 HA ARG 15 5.890 -7.383 4.608 112 HB2 ARG 15 HB2 ARG 15 4.911 -5.131 4.792 113 HB3 ARG 15 HB1 ARG 15 3.371 -5.760 4.231 114 HG2 ARG 15 HG2 ARG 15 3.446 -7.302 6.257 115 HG3 ARG 15 HG1 ARG 15 4.753 -6.268 6.841 116 HD2 ARG 15 HD2 ARG 15 2.668 -5.507 7.773 117 HD3 ARG 15 HD1 ARG 15 3.256 -4.319 6.610 118 HE ARG 15 HE ARG 15 1.482 -6.185 5.394 119 HH11 ARG 15 HH11 ARG 15 1.570 -3.222 7.309 120 HH12 ARG 15 HH12 ARG 15 -0.009 -2.750 6.934 121 HH21 ARG 15 HH21 ARG 15 -0.706 -5.555 4.842 122 HH22 ARG 15 HH22 ARG 15 -1.349 -4.114 5.470 123 H CYS 16 H CYS 16 2.846 -7.367 2.789 124 HA CYS 16 HA CYS 16 1.782 -9.507 4.260 125 HB2 CYS 16 HB2 CYS 16 0.904 -8.255 1.671 126 HB3 CYS 16 HB1 CYS 16 -0.002 -9.525 2.497 127 H GLN 17 H GLN 17 3.779 -9.429 1.437 128 HA GLN 17 HA GLN 17 3.272 -12.058 0.532 129 HB2 GLN 17 HB2 GLN 17 5.825 -10.446 0.372 130 HB3 GLN 17 HB1 GLN 17 5.487 -11.898 -0.558 131 HG2 GLN 17 HG2 GLN 17 3.660 -10.759 -1.690 132 HG3 GLN 17 HG1 GLN 17 3.957 -9.315 -0.729 133 HE21 GLN 17 1HE2 GLN 17 6.901 -9.647 -0.921 134 HE22 GLN 17 2HE2 GLN 17 7.299 -9.195 -2.527 135 H VAL 18 H VAL 18 5.388 -10.709 2.965 136 HA VAL 18 HA VAL 18 6.619 -13.267 3.534 137 HB VAL 18 HB VAL 18 6.959 -10.614 4.942 138 HG11 VAL 18 HG11 VAL 18 9.024 -11.575 5.840 139 HG12 VAL 18 HG12 VAL 18 8.656 -13.108 5.055 140 HG13 VAL 18 3HG1 VAL 18 7.612 -12.506 6.342 141 HG21 VAL 18 HG21 VAL 18 9.039 -10.429 3.674 142 HG22 VAL 18 HG22 VAL 18 7.629 -10.465 2.616 143 HG23 VAL 18 HG23 VAL 18 8.635 -11.903 2.795 144 H ALA 19 H ALA 19 4.737 -10.877 5.377 145 HA ALA 19 HA ALA 19 4.547 -12.576 7.654 146 HB1 ALA 19 HB1 ALA 19 3.086 -10.008 7.091 147 HB2 ALA 19 HB2 ALA 19 4.673 -10.145 7.848 148 HB3 ALA 19 HB3 ALA 19 3.251 -10.802 8.656 149 H GLU 20 H GLU 20 2.148 -11.519 5.224 150 HA GLU 20 HA GLU 20 0.057 -12.971 6.559 151 HB2 GLU 20 HB2 GLU 20 0.159 -11.657 3.841 152 HB3 GLU 20 HB1 GLU 20 -1.266 -12.423 4.526 153 HG2 GLU 20 HG2 GLU 20 0.152 -10.135 5.854 154 HG3 GLU 20 HG1 GLU 20 -1.152 -9.913 4.690 155 H HIS 21 H HIS 21 1.887 -13.321 3.579 156 HA HIS 21 HA HIS 21 2.433 -15.021 2.234 157 HB2 HIS 21 HB2 HIS 21 3.375 -16.025 4.312 158 HB3 HIS 21 HB1 HIS 21 1.837 -16.820 4.612 159 HD1 HIS 21 HD1 HIS 21 1.567 -19.136 3.573 160 HD2 HIS 21 HD2 HIS 21 4.722 -16.988 1.926 161 HE1 HIS 21 HE1 HIS 21 2.803 -20.742 2.083 162 H GLY 22 H GLY 22 1.053 -15.084 0.621 163 HA2 GLY 22 HA2 GLY 22 -0.629 -17.011 -0.038 164 HA3 GLY 22 HA1 GLY 22 -1.650 -16.037 1.016 165 H VAL 23 H VAL 23 -2.033 -16.493 -1.766 166 HA VAL 23 HA VAL 23 -1.098 -14.234 -3.254 167 HB VAL 23 HB VAL 23 -3.376 -16.118 -3.943 168 HG11 VAL 23 HG11 VAL 23 -2.955 -15.436 -6.265 169 HG12 VAL 23 HG12 VAL 23 -1.739 -14.291 -5.700 170 HG13 VAL 23 3HG1 VAL 23 -3.431 -14.068 -5.255 171 HG21 VAL 23 HG21 VAL 23 -1.299 -17.356 -3.588 172 HG22 VAL 23 HG22 VAL 23 -0.456 -16.280 -4.703 173 HG23 VAL 23 HG23 VAL 23 -1.732 -17.341 -5.298 174 H GLU 24 H GLU 24 -4.305 -15.168 -2.003 175 HA GLU 24 HA GLU 24 -5.552 -12.745 -2.772 176 HB2 GLU 24 HB2 GLU 24 -6.446 -14.736 -0.666 177 HB3 GLU 24 HB1 GLU 24 -7.428 -13.464 -1.372 178 HG2 GLU 24 HG2 GLU 24 -7.242 -14.554 -3.557 179 HG3 GLU 24 HG1 GLU 24 -6.305 -15.849 -2.812 180 H ARG 25 H ARG 25 -3.861 -13.826 0.021 181 HA ARG 25 HA ARG 25 -4.444 -11.812 1.879 182 HB2 ARG 25 HB2 ARG 25 -1.907 -13.360 1.385 183 HB3 ARG 25 HB1 ARG 25 -2.057 -12.195 2.686 184 HG2 ARG 25 HG2 ARG 25 -3.808 -14.628 2.358 185 HG3 ARG 25 HG1 ARG 25 -2.381 -14.549 3.389 186 HD2 ARG 25 HD2 ARG 25 -3.418 -12.696 4.640 187 HD3 ARG 25 HD1 ARG 25 -4.856 -12.842 3.638 188 HE ARG 25 HE ARG 25 -4.898 -15.214 4.523 189 HH11 ARG 25 HH11 ARG 25 -3.731 -12.412 6.446 190 HH12 ARG 25 HH12 ARG 25 -4.098 -13.140 7.923 191 HH21 ARG 25 HH21 ARG 25 -5.452 -16.137 6.617 192 HH22 ARG 25 HH22 ARG 25 -5.098 -15.264 8.032 193 H GLN 26 H GLN 26 -1.898 -11.931 -0.571 194 HA GLN 26 HA GLN 26 -0.877 -9.348 -0.056 195 HB2 GLN 26 HB2 GLN 26 0.429 -11.025 -1.225 196 HB3 GLN 26 HB1 GLN 26 -0.721 -11.029 -2.557 197 HG2 GLN 26 HG2 GLN 26 -0.178 -8.628 -2.936 198 HG3 GLN 26 HG1 GLN 26 1.081 -8.772 -1.715 199 HE21 GLN 26 1HE2 GLN 26 1.757 -11.500 -2.551 200 HE22 GLN 26 2HE2 GLN 26 2.628 -11.309 -4.023 201 H ARG 27 H ARG 27 -3.185 -10.596 -2.405 202 HA ARG 27 HA ARG 27 -3.567 -8.178 -3.792 203 HB2 ARG 27 HB2 ARG 27 -5.444 -10.525 -3.514 204 HB3 ARG 27 HB1 ARG 27 -5.648 -9.213 -4.667 205 HG2 ARG 27 HG2 ARG 27 -3.312 -11.119 -4.580 206 HG3 ARG 27 HG1 ARG 27 -4.667 -11.202 -5.706 207 HD2 ARG 27 HD2 ARG 27 -4.059 -9.058 -6.649 208 HD3 ARG 27 HD1 ARG 27 -2.764 -8.868 -5.473 209 HE ARG 27 HE ARG 27 -1.920 -11.031 -6.537 210 HH11 ARG 27 HH11 ARG 27 -3.507 -8.388 -8.306 211 HH12 ARG 27 HH12 ARG 27 -2.644 -8.632 -9.742 212 HH21 ARG 27 HH21 ARG 27 -0.756 -11.402 -8.552 213 HH22 ARG 27 HH22 ARG 27 -1.074 -10.398 -9.888 214 H ARG 28 H ARG 28 -5.206 -9.481 -0.964 215 HA ARG 28 HA ARG 28 -7.074 -7.373 -0.877 216 HB2 ARG 28 HB2 ARG 28 -7.521 -9.480 0.250 217 HB3 ARG 28 HB1 ARG 28 -6.145 -9.228 1.311 218 HG2 ARG 28 HG2 ARG 28 -7.210 -7.449 2.434 219 HG3 ARG 28 HG1 ARG 28 -8.477 -7.345 1.211 220 HD2 ARG 28 HD2 ARG 28 -8.007 -9.726 2.988 221 HD3 ARG 28 HD1 ARG 28 -9.197 -8.462 3.298 222 HE ARG 28 HE ARG 28 -9.538 -9.491 0.712 223 HH11 ARG 28 HH11 ARG 28 -10.096 -10.407 4.099 224 HH12 ARG 28 HH12 ARG 28 -11.396 -11.446 3.734 225 HH21 ARG 28 HH21 ARG 28 -11.346 -10.908 0.225 226 HH22 ARG 28 HH22 ARG 28 -12.112 -11.737 1.476 227 H CYS 29 H CYS 29 -3.866 -7.823 0.636 228 HA CYS 29 HA CYS 29 -3.866 -5.436 2.080 229 HB2 CYS 29 HB2 CYS 29 -1.620 -6.984 0.800 230 HB3 CYS 29 HB1 CYS 29 -1.370 -5.581 1.828 231 H GLN 30 H GLN 30 -3.043 -6.160 -1.275 232 HA GLN 30 HA GLN 30 -2.148 -3.685 -2.117 233 HB2 GLN 30 HB2 GLN 30 -2.067 -5.587 -3.608 234 HB3 GLN 30 HB1 GLN 30 -3.816 -5.745 -3.573 235 HG2 GLN 30 HG2 GLN 30 -3.131 -4.774 -5.666 236 HG3 GLN 30 HG1 GLN 30 -4.019 -3.580 -4.726 237 HE21 GLN 30 1HE2 GLN 30 -3.108 -1.817 -5.811 238 HE22 GLN 30 2HE2 GLN 30 -1.441 -1.423 -5.618 239 H GLN 31 H GLN 31 -5.460 -4.942 -2.115 240 HA GLN 31 HA GLN 31 -6.762 -2.680 -3.074 241 HB2 GLN 31 HB2 GLN 31 -7.807 -4.677 -1.073 242 HB3 GLN 31 HB1 GLN 31 -8.780 -3.568 -2.027 243 HG2 GLN 31 HG2 GLN 31 -8.081 -4.667 -4.064 244 HG3 GLN 31 HG1 GLN 31 -7.034 -5.743 -3.145 245 HE21 GLN 31 1HE2 GLN 31 -10.219 -4.746 -2.096 246 HE22 GLN 31 2HE2 GLN 31 -10.955 -6.294 -2.272 247 H VAL 32 H VAL 32 -6.183 -3.604 0.295 248 HA VAL 32 HA VAL 32 -7.471 -1.365 1.442 249 HB VAL 32 HB VAL 32 -5.280 -3.056 2.679 250 HG11 VAL 32 HG11 VAL 32 -7.382 -1.313 3.958 251 HG12 VAL 32 HG12 VAL 32 -5.646 -0.997 3.909 252 HG13 VAL 32 3HG1 VAL 32 -6.271 -2.376 4.818 253 HG21 VAL 32 HG21 VAL 32 -7.098 -4.354 3.690 254 HG22 VAL 32 HG22 VAL 32 -7.135 -4.444 1.927 255 HG23 VAL 32 HG23 VAL 32 -8.270 -3.400 2.783 256 H CYS 33 H CYS 33 -4.023 -2.007 0.827 257 HA CYS 33 HA CYS 33 -3.311 0.526 1.876 258 HB2 CYS 33 HB2 CYS 33 -1.666 -1.556 0.439 259 HB3 CYS 33 HB1 CYS 33 -0.999 -0.078 1.141 260 H GLU 34 H GLU 34 -4.099 -0.602 -1.325 261 HA GLU 34 HA GLU 34 -3.015 1.641 -2.705 262 HB2 GLU 34 HB2 GLU 34 -3.722 -0.552 -3.746 263 HB3 GLU 34 HB1 GLU 34 -5.382 -0.045 -3.496 264 HG2 GLU 34 HG2 GLU 34 -4.871 1.975 -4.875 265 HG3 GLU 34 HG1 GLU 34 -3.333 1.216 -5.282 266 H LYS 35 H LYS 35 -6.129 0.815 -1.294 267 HA LYS 35 HA LYS 35 -7.496 3.141 -2.061 268 HB2 LYS 35 HB2 LYS 35 -8.616 1.124 -1.155 269 HB3 LYS 35 HB1 LYS 35 -7.898 1.451 0.414 270 HG2 LYS 35 HG2 LYS 35 -9.194 3.474 0.640 271 HG3 LYS 35 HG1 LYS 35 -9.822 3.294 -0.998 272 HD2 LYS 35 HD2 LYS 35 -11.491 2.557 0.611 273 HD3 LYS 35 HD1 LYS 35 -10.906 1.191 -0.328 274 HE2 LYS 35 HE2 LYS 35 -9.407 0.578 1.532 275 HE3 LYS 35 HE1 LYS 35 -10.051 1.929 2.462 276 HZ1 LYS 35 HZ1 LYS 35 -11.120 -0.134 3.072 277 HZ2 LYS 35 HZ2 LYS 35 -11.593 -0.403 1.477 278 HZ3 LYS 35 HZ3 LYS 35 -12.240 0.896 2.344 279 H ARG 36 H ARG 36 -5.571 2.364 0.778 280 HA ARG 36 HA ARG 36 -5.835 4.913 1.946 281 HB2 ARG 36 HB2 ARG 36 -3.817 2.727 2.402 282 HB3 ARG 36 HB1 ARG 36 -3.764 4.239 3.294 283 HG2 ARG 36 HG2 ARG 36 -6.128 3.786 4.013 284 HG3 ARG 36 HG1 ARG 36 -5.963 2.187 3.291 285 HD2 ARG 36 HD2 ARG 36 -4.166 3.288 5.442 286 HD3 ARG 36 HD1 ARG 36 -5.556 2.260 5.750 287 HE ARG 36 HE ARG 36 -4.138 0.808 4.017 288 HH11 ARG 36 HH11 ARG 36 -3.193 2.473 7.010 289 HH12 ARG 36 HH12 ARG 36 -2.037 1.321 7.485 290 HH21 ARG 36 HH21 ARG 36 -2.497 -0.849 4.707 291 HH22 ARG 36 HH22 ARG 36 -1.638 -0.568 6.134 292 H LEU 37 H LEU 37 -3.484 3.621 -0.342 293 HA LEU 37 HA LEU 37 -1.798 5.863 -0.423 294 HB2 LEU 37 HB2 LEU 37 -1.113 3.800 -1.498 295 HB3 LEU 37 HB1 LEU 37 -2.508 3.831 -2.555 296 HG LEU 37 HG LEU 37 -1.636 5.771 -3.695 297 HD11 LEU 37 HD11 LEU 37 0.785 5.447 -1.907 298 HD12 LEU 37 HD12 LEU 37 -0.335 6.809 -1.921 299 HD13 LEU 37 HD13 LEU 37 0.709 6.512 -3.311 300 HD21 LEU 37 HD21 LEU 37 0.330 3.503 -3.569 301 HD22 LEU 37 HD22 LEU 37 0.259 4.718 -4.846 302 HD23 LEU 37 HD23 LEU 37 -1.096 3.616 -4.601 303 H ARG 38 H ARG 38 -4.773 5.084 -2.087 304 HA ARG 38 HA ARG 38 -4.805 7.291 -3.806 305 HB2 ARG 38 HB2 ARG 38 -6.136 5.210 -4.081 306 HB3 ARG 38 HB1 ARG 38 -7.171 5.732 -2.766 307 HG2 ARG 38 HG2 ARG 38 -8.214 6.180 -4.914 308 HG3 ARG 38 HG1 ARG 38 -7.836 7.685 -4.073 309 HD2 ARG 38 HD2 ARG 38 -7.287 7.752 -6.484 310 HD3 ARG 38 HD1 ARG 38 -5.890 8.036 -5.455 311 HE ARG 38 HE ARG 38 -6.170 5.289 -6.181 312 HH11 ARG 38 HH11 ARG 38 -5.097 8.389 -7.515 313 HH12 ARG 38 HH12 ARG 38 -3.865 7.686 -8.468 314 HH21 ARG 38 HH21 ARG 38 -4.488 4.359 -7.518 315 HH22 ARG 38 HH22 ARG 38 -3.507 5.384 -8.467 316 H GLU 39 H GLU 39 -5.791 6.935 -0.475 317 HA GLU 39 HA GLU 39 -7.205 9.394 -0.225 318 HB2 GLU 39 HB2 GLU 39 -5.548 7.969 1.863 319 HB3 GLU 39 HB1 GLU 39 -6.743 9.214 2.175 320 HG2 GLU 39 HG2 GLU 39 -8.494 7.719 1.347 321 HG3 GLU 39 HG1 GLU 39 -7.276 6.467 1.075 322 H ARG 40 H ARG 40 -3.868 8.419 0.143 323 HA ARG 40 HA ARG 40 -2.823 10.944 0.928 324 HB2 ARG 40 HB2 ARG 40 -1.366 8.702 -0.490 325 HB3 ARG 40 HB1 ARG 40 -0.640 10.024 0.406 326 HG2 ARG 40 HG2 ARG 40 -2.312 7.803 1.564 327 HG3 ARG 40 HG1 ARG 40 -0.561 7.972 1.680 328 HD2 ARG 40 HD2 ARG 40 -0.898 10.104 2.883 329 HD3 ARG 40 HD1 ARG 40 -2.641 9.816 2.847 330 HE ARG 40 HE ARG 40 -0.939 7.783 4.018 331 HH11 ARG 40 HH11 ARG 40 -3.300 10.368 4.531 332 HH12 ARG 40 HH12 ARG 40 -3.529 10.059 6.178 333 HH21 ARG 40 HH21 ARG 40 -1.241 7.331 6.313 334 HH22 ARG 40 HH22 ARG 40 -2.334 8.272 7.223 335 H GLU 41 H GLU 41 -3.195 9.301 -2.150 336 HA GLU 41 HA GLU 41 -2.088 11.128 -3.933 337 HB2 GLU 41 HB2 GLU 41 -4.564 9.420 -4.215 338 HB3 GLU 41 HB1 GLU 41 -3.828 10.304 -5.536 339 HG2 GLU 41 HG2 GLU 41 -2.454 8.150 -3.959 340 HG3 GLU 41 HG1 GLU 41 -3.261 7.910 -5.510 341 H GLY 42 H GLY 42 -5.368 10.966 -2.623 342 HA2 GLY 42 HA2 GLY 42 -6.360 13.266 -3.914 343 HA3 GLY 42 HA1 GLY 42 -7.069 12.468 -2.521 344 H ARG 43 H ARG 43 -4.417 12.900 -1.082 345 HA ARG 43 HA ARG 43 -5.213 15.286 0.189 346 HB2 ARG 43 HB2 ARG 43 -4.022 13.462 1.377 347 HB3 ARG 43 HB1 ARG 43 -2.565 13.855 0.480 348 HG2 ARG 43 HG2 ARG 43 -2.521 14.802 2.750 349 HG3 ARG 43 HG1 ARG 43 -2.492 16.054 1.504 350 HD2 ARG 43 HD2 ARG 43 -4.841 16.470 1.785 351 HD3 ARG 43 HD1 ARG 43 -4.980 15.135 2.926 352 HE ARG 43 HE ARG 43 -3.102 17.024 3.819 353 HH11 ARG 43 HH11 ARG 43 -6.566 16.602 3.361 354 HH12 ARG 43 HH12 ARG 43 -7.047 17.619 4.638 355 HH21 ARG 43 HH21 ARG 43 -3.750 18.502 5.616 356 HH22 ARG 43 HH22 ARG 43 -5.400 18.716 5.944 357 H ARG 44 H ARG 44 -3.030 14.670 -2.415 358 HA ARG 44 HA ARG 44 -1.922 17.364 -2.151 359 HB2 ARG 44 HB2 ARG 44 -0.305 16.764 -3.846 360 HB3 ARG 44 HB1 ARG 44 -0.374 15.473 -2.666 361 HG2 ARG 44 HG2 ARG 44 -1.900 14.264 -4.281 362 HG3 ARG 44 HG1 ARG 44 -1.455 15.496 -5.466 363 HD2 ARG 44 HD2 ARG 44 -0.017 13.582 -5.744 364 HD3 ARG 44 HD1 ARG 44 0.929 14.919 -5.084 365 HE ARG 44 HE ARG 44 0.730 13.891 -2.910 366 HH11 ARG 44 HH11 ARG 44 0.441 11.824 -5.737 367 HH12 ARG 44 HH12 ARG 44 0.360 10.372 -4.869 368 HH21 ARG 44 HH21 ARG 44 0.663 11.912 -1.684 369 HH22 ARG 44 HH22 ARG 44 0.529 10.428 -2.532 370 H GLU 45 H GLU 45 -4.654 16.900 -2.705 371 HA GLU 45 HA GLU 45 -5.473 17.290 -5.309 372 HB2 GLU 45 HB2 GLU 45 -7.511 18.299 -4.289 373 HB3 GLU 45 HB1 GLU 45 -7.051 16.763 -3.572 374 HG2 GLU 45 HG2 GLU 45 -6.019 17.977 -1.687 375 HG3 GLU 45 HG1 GLU 45 -6.553 19.494 -2.406 376 H VAL 46 H VAL 46 -5.689 19.061 -6.593 377 HA VAL 46 HA VAL 46 -4.263 21.372 -5.626 378 HB VAL 46 HB VAL 46 -4.238 22.165 -8.026 379 HG11 VAL 46 HG11 VAL 46 -2.978 19.498 -7.416 380 HG12 VAL 46 HG12 VAL 46 -2.312 21.086 -7.030 381 HG13 VAL 46 3HG1 VAL 46 -2.480 20.582 -8.714 382 HG21 VAL 46 HG21 VAL 46 -4.675 20.546 -9.800 383 HG22 VAL 46 HG22 VAL 46 -6.143 20.810 -8.853 384 HG23 VAL 46 HG23 VAL 46 -5.182 19.352 -8.608 385 H ASP 47 H ASP 47 -5.576 22.429 -4.426 386 HA ASP 47 HA ASP 47 -8.119 23.226 -5.525 387 HB2 ASP 47 HB2 ASP 47 -8.621 24.221 -3.285 388 HB3 ASP 47 HB1 ASP 47 -8.225 22.523 -3.171 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 13.798 9.656 8.510 2 H3 PRO 1 HT2 PRO 1 13.912 11.147 9.140 3 HA PRO 1 HA PRO 1 12.860 12.047 7.634 4 HB2 PRO 1 HB2 PRO 1 13.465 10.801 5.193 5 HB3 PRO 1 HB1 PRO 1 14.096 12.350 5.772 6 HG2 PRO 1 HG2 PRO 1 15.345 9.665 5.845 7 HG3 PRO 1 HG1 PRO 1 16.109 11.260 5.770 8 HD2 PRO 1 HD2 PRO 1 16.095 9.776 8.037 9 HD3 PRO 1 HD1 PRO 1 16.039 11.548 8.062 10 H ARG 2 H ARG 2 11.238 11.296 5.810 11 HA ARG 2 HA ARG 2 10.038 8.802 6.775 12 HB2 ARG 2 HB2 ARG 2 8.800 11.087 5.223 13 HB3 ARG 2 HB1 ARG 2 7.950 9.631 5.711 14 HG2 ARG 2 HG2 ARG 2 8.336 10.223 8.067 15 HG3 ARG 2 HG1 ARG 2 9.136 11.703 7.544 16 HD2 ARG 2 HD2 ARG 2 6.270 10.944 6.987 17 HD3 ARG 2 HD1 ARG 2 6.807 12.128 8.174 18 HE ARG 2 HE ARG 2 7.659 12.615 5.450 19 HH11 ARG 2 HH11 ARG 2 5.178 13.347 7.875 20 HH12 ARG 2 HH12 ARG 2 4.668 14.766 7.099 21 HH21 ARG 2 HH21 ARG 2 6.958 14.470 4.409 22 HH22 ARG 2 HH22 ARG 2 5.725 15.462 5.042 23 H GLY 3 H GLY 3 8.677 7.795 4.889 24 HA2 GLY 3 HA2 GLY 3 10.606 7.323 2.759 25 HA3 GLY 3 HA1 GLY 3 9.244 6.291 3.177 26 H SER 4 H SER 4 9.873 7.158 0.575 27 HA SER 4 HA SER 4 8.199 9.283 -0.209 28 HB2 SER 4 HB2 SER 4 9.144 6.928 -1.865 29 HB3 SER 4 HB1 SER 4 8.724 8.551 -2.423 30 HG SER 4 HG SER 4 11.005 7.965 -2.153 31 HA PRO 5 HA PRO 5 4.189 7.391 0.131 32 HB2 PRO 5 HB2 PRO 5 3.089 8.313 -2.272 33 HB3 PRO 5 HB1 PRO 5 3.046 9.146 -0.720 34 HG2 PRO 5 HG2 PRO 5 4.883 9.526 -3.028 35 HG3 PRO 5 HG1 PRO 5 4.231 10.731 -1.905 36 HD2 PRO 5 HD2 PRO 5 6.762 9.886 -1.739 37 HD3 PRO 5 HD1 PRO 5 5.812 10.242 -0.281 38 H ARG 6 H ARG 6 5.724 7.065 -3.072 39 HA ARG 6 HA ARG 6 4.084 4.900 -3.894 40 HB2 ARG 6 HB2 ARG 6 5.730 6.473 -5.239 41 HB3 ARG 6 HB1 ARG 6 6.883 5.183 -4.914 42 HG2 ARG 6 HG2 ARG 6 5.917 4.869 -7.087 43 HG3 ARG 6 HG1 ARG 6 5.298 3.605 -6.016 44 HD2 ARG 6 HD2 ARG 6 3.541 4.658 -7.454 45 HD3 ARG 6 HD1 ARG 6 3.216 4.782 -5.726 46 HE ARG 6 HE ARG 6 4.505 7.007 -7.147 47 HH11 ARG 6 HH11 ARG 6 1.580 5.835 -5.487 48 HH12 ARG 6 HH12 ARG 6 1.084 7.428 -5.062 49 HH21 ARG 6 HH21 ARG 6 3.735 9.115 -6.560 50 HH22 ARG 6 HH22 ARG 6 2.308 9.267 -5.616 51 H THR 7 H THR 7 7.211 5.097 -2.264 52 HA THR 7 HA THR 7 7.585 2.290 -2.257 53 HB THR 7 HB THR 7 9.408 2.823 -0.547 54 HG1 THR 7 HG1 THR 7 8.205 5.047 -0.216 55 HG21 THR 7 HG21 THR 7 10.876 3.840 -2.227 56 HG22 THR 7 HG22 THR 7 9.462 4.232 -3.209 57 HG23 THR 7 HG23 THR 7 9.888 2.546 -2.903 58 H GLU 8 H GLU 8 6.037 4.553 -0.117 59 HA GLU 8 HA GLU 8 5.772 3.012 2.217 60 HB2 GLU 8 HB2 GLU 8 5.196 5.443 1.941 61 HB3 GLU 8 HB1 GLU 8 3.814 4.948 0.976 62 HG2 GLU 8 HG2 GLU 8 3.150 5.550 3.240 63 HG3 GLU 8 HG1 GLU 8 2.833 3.849 2.901 64 H TYR 9 H TYR 9 3.821 3.303 -0.702 65 HA TYR 9 HA TYR 9 1.812 1.508 -0.058 66 HB2 TYR 9 HB2 TYR 9 1.305 3.004 -1.721 67 HB3 TYR 9 HB1 TYR 9 2.883 2.878 -2.473 68 HD1 TYR 9 HD1 TYR 9 3.264 1.469 -4.157 69 HD2 TYR 9 HD2 TYR 9 -0.354 1.179 -2.056 70 HE1 TYR 9 HE1 TYR 9 2.420 -0.095 -5.902 71 HE2 TYR 9 HE2 TYR 9 -1.257 -0.382 -3.755 72 HH TYR 9 HH TYR 9 -0.811 -0.896 -6.171 73 H GLU 10 H GLU 10 4.836 1.147 -1.893 74 HA GLU 10 HA GLU 10 4.506 -1.544 -2.581 75 HB2 GLU 10 HB2 GLU 10 6.184 -0.170 -3.682 76 HB3 GLU 10 HB1 GLU 10 7.062 0.017 -2.168 77 HG2 GLU 10 HG2 GLU 10 7.520 -2.371 -2.124 78 HG3 GLU 10 HG1 GLU 10 6.619 -2.574 -3.621 79 H ALA 11 H ALA 11 6.168 -0.079 0.175 80 HA ALA 11 HA ALA 11 7.159 -2.368 1.379 81 HB1 ALA 11 HB1 ALA 11 7.793 -0.123 2.051 82 HB2 ALA 11 HB2 ALA 11 7.223 -1.046 3.443 83 HB3 ALA 11 HB3 ALA 11 6.178 0.160 2.690 84 H CYS 12 H CYS 12 4.009 -0.854 1.694 85 HA CYS 12 HA CYS 12 2.980 -2.463 3.748 86 HB2 CYS 12 HB2 CYS 12 2.011 -0.305 2.874 87 HB3 CYS 12 HB1 CYS 12 1.447 -1.195 1.471 88 H ARG 13 H ARG 13 3.069 -2.869 0.252 89 HA ARG 13 HA ARG 13 1.477 -5.218 0.090 90 HB2 ARG 13 HB2 ARG 13 3.613 -4.137 -1.768 91 HB3 ARG 13 HB1 ARG 13 2.602 -5.520 -2.142 92 HG2 ARG 13 HG2 ARG 13 0.628 -4.117 -2.130 93 HG3 ARG 13 HG1 ARG 13 1.591 -2.727 -1.631 94 HD2 ARG 13 HD2 ARG 13 1.109 -2.675 -4.041 95 HD3 ARG 13 HD1 ARG 13 2.834 -2.808 -3.725 96 HE ARG 13 HE ARG 13 2.097 -5.371 -4.045 97 HH11 ARG 13 HH11 ARG 13 1.261 -2.559 -6.104 98 HH12 ARG 13 HH12 ARG 13 1.463 -3.409 -7.543 99 HH21 ARG 13 HH21 ARG 13 2.278 -6.530 -6.100 100 HH22 ARG 13 HH22 ARG 13 2.022 -5.690 -7.557 101 H VAL 14 H VAL 14 4.960 -4.635 0.119 102 HA VAL 14 HA VAL 14 5.821 -7.288 0.008 103 HB VAL 14 HB VAL 14 7.235 -4.920 1.285 104 HG11 VAL 14 HG11 VAL 14 9.301 -6.160 0.928 105 HG12 VAL 14 HG12 VAL 14 8.389 -7.516 0.268 106 HG13 VAL 14 3HG1 VAL 14 8.207 -7.081 1.966 107 HG21 VAL 14 HG21 VAL 14 8.397 -4.728 -0.863 108 HG22 VAL 14 HG22 VAL 14 6.656 -4.515 -1.046 109 HG23 VAL 14 HG23 VAL 14 7.411 -6.039 -1.510 110 H ARG 15 H ARG 15 5.031 -5.248 2.755 111 HA ARG 15 HA ARG 15 5.769 -6.820 4.892 112 HB2 ARG 15 HB2 ARG 15 4.856 -4.536 5.054 113 HB3 ARG 15 HB1 ARG 15 3.273 -5.129 4.590 114 HG2 ARG 15 HG2 ARG 15 3.297 -4.756 6.952 115 HG3 ARG 15 HG1 ARG 15 3.233 -6.491 6.652 116 HD2 ARG 15 HD2 ARG 15 4.767 -5.996 8.460 117 HD3 ARG 15 HD1 ARG 15 5.654 -6.641 7.080 118 HE ARG 15 HE ARG 15 5.798 -3.961 6.745 119 HH11 ARG 15 HH11 ARG 15 6.621 -6.095 9.450 120 HH12 ARG 15 HH12 ARG 15 7.849 -5.098 10.073 121 HH21 ARG 15 HH21 ARG 15 7.511 -2.581 7.592 122 HH22 ARG 15 HH22 ARG 15 8.390 -3.070 8.966 123 H CYS 16 H CYS 16 2.590 -6.838 3.233 124 HA CYS 16 HA CYS 16 1.759 -9.168 4.633 125 HB2 CYS 16 HB2 CYS 16 0.587 -7.781 2.245 126 HB3 CYS 16 HB1 CYS 16 -0.108 -9.252 2.915 127 H GLN 17 H GLN 17 3.401 -8.741 1.586 128 HA GLN 17 HA GLN 17 3.020 -11.312 0.519 129 HB2 GLN 17 HB2 GLN 17 5.348 -9.430 0.285 130 HB3 GLN 17 HB1 GLN 17 5.229 -10.928 -0.616 131 HG2 GLN 17 HG2 GLN 17 3.256 -10.124 -1.751 132 HG3 GLN 17 HG1 GLN 17 3.272 -8.651 -0.778 133 HE21 GLN 17 1HE2 GLN 17 3.468 -7.381 -2.601 134 HE22 GLN 17 2HE2 GLN 17 4.952 -7.241 -3.475 135 H VAL 18 H VAL 18 5.144 -10.138 2.987 136 HA VAL 18 HA VAL 18 6.568 -12.648 3.159 137 HB VAL 18 HB VAL 18 6.783 -10.132 4.848 138 HG11 VAL 18 HG11 VAL 18 8.849 -11.106 5.736 139 HG12 VAL 18 HG12 VAL 18 8.539 -12.586 4.831 140 HG13 VAL 18 3HG1 VAL 18 7.450 -12.105 6.133 141 HG21 VAL 18 HG21 VAL 18 8.581 -11.227 2.686 142 HG22 VAL 18 HG22 VAL 18 8.911 -9.801 3.669 143 HG23 VAL 18 HG23 VAL 18 7.541 -9.809 2.557 144 H ALA 19 H ALA 19 4.481 -10.693 5.287 145 HA ALA 19 HA ALA 19 4.437 -12.606 7.358 146 HB1 ALA 19 HB1 ALA 19 2.760 -11.212 8.394 147 HB2 ALA 19 HB2 ALA 19 2.507 -10.353 6.875 148 HB3 ALA 19 HB3 ALA 19 4.049 -10.216 7.718 149 H GLU 20 H GLU 20 1.820 -11.695 5.115 150 HA GLU 20 HA GLU 20 0.081 -13.732 6.101 151 HB2 GLU 20 HB2 GLU 20 -0.109 -12.080 3.576 152 HB3 GLU 20 HB1 GLU 20 -1.399 -13.051 4.262 153 HG2 GLU 20 HG2 GLU 20 -0.134 -10.631 5.541 154 HG3 GLU 20 HG1 GLU 20 -1.701 -10.677 4.740 155 H HIS 21 H HIS 21 1.860 -13.241 3.121 156 HA HIS 21 HA HIS 21 2.522 -14.547 1.432 157 HB2 HIS 21 HB2 HIS 21 3.997 -15.451 3.225 158 HB3 HIS 21 HB1 HIS 21 2.796 -16.687 3.568 159 HD1 HIS 21 HD1 HIS 21 3.127 -18.869 2.314 160 HD2 HIS 21 HD2 HIS 21 5.088 -15.677 0.521 161 HE1 HIS 21 HE1 HIS 21 4.433 -19.845 0.395 162 H GLY 22 H GLY 22 0.602 -14.510 0.313 163 HA2 GLY 22 HA2 GLY 22 -0.380 -16.862 -0.611 164 HA3 GLY 22 HA1 GLY 22 -1.463 -16.412 0.702 165 H VAL 23 H VAL 23 -1.849 -16.547 -2.191 166 HA VAL 23 HA VAL 23 -1.772 -14.077 -3.468 167 HB VAL 23 HB VAL 23 -3.700 -16.355 -3.981 168 HG11 VAL 23 HG11 VAL 23 -3.801 -15.479 -6.277 169 HG12 VAL 23 HG12 VAL 23 -2.803 -14.111 -5.780 170 HG13 VAL 23 3HG1 VAL 23 -4.412 -14.321 -5.095 171 HG21 VAL 23 HG21 VAL 23 -2.063 -17.080 -5.664 172 HG22 VAL 23 HG22 VAL 23 -1.388 -17.110 -4.035 173 HG23 VAL 23 HG23 VAL 23 -0.971 -15.801 -5.139 174 H GLU 24 H GLU 24 -4.439 -15.558 -1.665 175 HA GLU 24 HA GLU 24 -6.439 -13.675 -2.243 176 HB2 GLU 24 HB2 GLU 24 -6.527 -16.015 -1.043 177 HB3 GLU 24 HB1 GLU 24 -6.253 -15.081 0.412 178 HG2 GLU 24 HG2 GLU 24 -8.609 -14.850 -1.458 179 HG3 GLU 24 HG1 GLU 24 -8.600 -15.604 0.126 180 H ARG 25 H ARG 25 -4.331 -13.968 0.595 181 HA ARG 25 HA ARG 25 -5.221 -11.550 1.767 182 HB2 ARG 25 HB2 ARG 25 -2.840 -13.267 2.393 183 HB3 ARG 25 HB1 ARG 25 -3.302 -11.857 3.332 184 HG2 ARG 25 HG2 ARG 25 -5.445 -12.896 3.839 185 HG3 ARG 25 HG1 ARG 25 -4.976 -14.330 2.922 186 HD2 ARG 25 HD2 ARG 25 -3.063 -14.628 4.421 187 HD3 ARG 25 HD1 ARG 25 -3.569 -13.209 5.327 188 HE ARG 25 HE ARG 25 -5.454 -15.393 5.078 189 HH11 ARG 25 HH11 ARG 25 -3.334 -13.449 7.118 190 HH12 ARG 25 HH12 ARG 25 -3.636 -14.309 8.549 191 HH21 ARG 25 HH21 ARG 25 -5.922 -16.603 7.084 192 HH22 ARG 25 HH22 ARG 25 -5.129 -16.145 8.531 193 H GLN 26 H GLN 26 -2.587 -12.322 -0.365 194 HA GLN 26 HA GLN 26 -1.131 -9.928 -0.048 195 HB2 GLN 26 HB2 GLN 26 -0.283 -11.959 -1.158 196 HB3 GLN 26 HB1 GLN 26 -1.409 -11.691 -2.472 197 HG2 GLN 26 HG2 GLN 26 -0.284 -9.602 -3.014 198 HG3 GLN 26 HG1 GLN 26 0.857 -9.880 -1.693 199 HE21 GLN 26 1HE2 GLN 26 -0.229 -10.941 -4.755 200 HE22 GLN 26 2HE2 GLN 26 1.137 -11.911 -5.174 201 H ARG 27 H ARG 27 -3.583 -10.942 -2.393 202 HA ARG 27 HA ARG 27 -3.874 -8.506 -3.758 203 HB2 ARG 27 HB2 ARG 27 -4.762 -10.604 -4.609 204 HB3 ARG 27 HB1 ARG 27 -5.845 -10.734 -3.237 205 HG2 ARG 27 HG2 ARG 27 -7.080 -8.795 -3.997 206 HG3 ARG 27 HG1 ARG 27 -5.964 -8.597 -5.351 207 HD2 ARG 27 HD2 ARG 27 -6.592 -10.775 -6.200 208 HD3 ARG 27 HD1 ARG 27 -7.705 -11.006 -4.848 209 HE ARG 27 HE ARG 27 -8.734 -8.864 -5.765 210 HH11 ARG 27 HH11 ARG 27 -7.357 -11.458 -7.750 211 HH12 ARG 27 HH12 ARG 27 -8.328 -11.157 -9.104 212 HH21 ARG 27 HH21 ARG 27 -10.112 -8.455 -7.583 213 HH22 ARG 27 HH22 ARG 27 -9.980 -9.378 -8.999 214 H ARG 28 H ARG 28 -5.362 -9.824 -0.911 215 HA ARG 28 HA ARG 28 -7.330 -7.946 -0.380 216 HB2 ARG 28 HB2 ARG 28 -7.057 -10.141 0.742 217 HB3 ARG 28 HB1 ARG 28 -5.636 -9.516 1.547 218 HG2 ARG 28 HG2 ARG 28 -6.991 -7.934 2.770 219 HG3 ARG 28 HG1 ARG 28 -8.434 -8.501 1.919 220 HD2 ARG 28 HD2 ARG 28 -8.113 -10.734 2.820 221 HD3 ARG 28 HD1 ARG 28 -6.647 -10.207 3.643 222 HE ARG 28 HE ARG 28 -8.630 -8.532 4.493 223 HH11 ARG 28 HH11 ARG 28 -8.085 -12.051 4.603 224 HH12 ARG 28 HH12 ARG 28 -8.909 -12.258 6.058 225 HH21 ARG 28 HH21 ARG 28 -9.793 -8.843 6.452 226 HH22 ARG 28 HH22 ARG 28 -9.946 -10.404 7.136 227 H CYS 29 H CYS 29 -4.055 -8.173 1.064 228 HA CYS 29 HA CYS 29 -4.078 -5.686 2.290 229 HB2 CYS 29 HB2 CYS 29 -1.852 -7.456 1.369 230 HB3 CYS 29 HB1 CYS 29 -1.550 -5.908 2.137 231 H GLN 30 H GLN 30 -2.889 -6.636 -0.929 232 HA GLN 30 HA GLN 30 -1.635 -4.270 -1.594 233 HB2 GLN 30 HB2 GLN 30 -1.435 -6.338 -2.887 234 HB3 GLN 30 HB1 GLN 30 -3.103 -6.182 -3.406 235 HG2 GLN 30 HG2 GLN 30 -2.573 -4.203 -4.668 236 HG3 GLN 30 HG1 GLN 30 -0.919 -4.217 -4.054 237 HE21 GLN 30 1HE2 GLN 30 -1.936 -4.383 -6.799 238 HE22 GLN 30 2HE2 GLN 30 -1.252 -5.818 -7.455 239 H GLN 31 H GLN 31 -5.021 -5.189 -2.120 240 HA GLN 31 HA GLN 31 -5.746 -2.787 -3.395 241 HB2 GLN 31 HB2 GLN 31 -7.090 -4.851 -3.525 242 HB3 GLN 31 HB1 GLN 31 -7.491 -4.680 -1.822 243 HG2 GLN 31 HG2 GLN 31 -8.654 -2.612 -2.267 244 HG3 GLN 31 HG1 GLN 31 -8.203 -2.686 -3.963 245 HE21 GLN 31 1HE2 GLN 31 -9.248 -5.438 -2.036 246 HE22 GLN 31 2HE2 GLN 31 -10.727 -5.672 -2.870 247 H VAL 32 H VAL 32 -5.752 -3.768 -0.006 248 HA VAL 32 HA VAL 32 -7.036 -1.431 0.963 249 HB VAL 32 HB VAL 32 -5.205 -3.360 2.443 250 HG11 VAL 32 HG11 VAL 32 -7.079 -1.263 3.557 251 HG12 VAL 32 HG12 VAL 32 -5.318 -1.201 3.602 252 HG13 VAL 32 3HG1 VAL 32 -6.179 -2.446 4.507 253 HG21 VAL 32 HG21 VAL 32 -7.292 -4.288 3.340 254 HG22 VAL 32 HG22 VAL 32 -7.216 -4.421 1.583 255 HG23 VAL 32 HG23 VAL 32 -8.213 -3.173 2.329 256 H CYS 33 H CYS 33 -3.624 -2.342 0.696 257 HA CYS 33 HA CYS 33 -2.574 0.031 1.786 258 HB2 CYS 33 HB2 CYS 33 -1.287 -1.824 -0.239 259 HB3 CYS 33 HB1 CYS 33 -0.446 -0.633 0.745 260 H GLU 34 H GLU 34 -3.583 -0.830 -1.453 261 HA GLU 34 HA GLU 34 -2.592 1.418 -2.835 262 HB2 GLU 34 HB2 GLU 34 -3.361 -0.654 -3.915 263 HB3 GLU 34 HB1 GLU 34 -4.990 -0.335 -3.360 264 HG2 GLU 34 HG2 GLU 34 -5.038 1.692 -4.731 265 HG3 GLU 34 HG1 GLU 34 -3.419 1.297 -5.315 266 H LYS 35 H LYS 35 -5.658 0.692 -1.274 267 HA LYS 35 HA LYS 35 -6.983 3.109 -1.863 268 HB2 LYS 35 HB2 LYS 35 -8.067 1.015 -1.131 269 HB3 LYS 35 HB1 LYS 35 -7.379 1.225 0.469 270 HG2 LYS 35 HG2 LYS 35 -8.681 3.276 0.762 271 HG3 LYS 35 HG1 LYS 35 -9.362 3.074 -0.853 272 HD2 LYS 35 HD2 LYS 35 -9.686 1.150 1.457 273 HD3 LYS 35 HD1 LYS 35 -10.911 2.277 0.875 274 HE2 LYS 35 HE2 LYS 35 -10.898 1.121 -1.310 275 HE3 LYS 35 HE1 LYS 35 -9.702 -0.011 -0.691 276 HZ1 LYS 35 HZ1 LYS 35 -11.870 -0.961 -0.606 277 HZ2 LYS 35 HZ2 LYS 35 -12.469 0.316 0.322 278 HZ3 LYS 35 HZ3 LYS 35 -11.316 -0.740 0.962 279 H ARG 36 H ARG 36 -5.048 2.018 0.873 280 HA ARG 36 HA ARG 36 -5.198 4.322 2.457 281 HB2 ARG 36 HB2 ARG 36 -3.008 2.261 2.235 282 HB3 ARG 36 HB1 ARG 36 -2.997 3.556 3.417 283 HG2 ARG 36 HG2 ARG 36 -5.057 2.689 4.397 284 HG3 ARG 36 HG1 ARG 36 -5.087 1.406 3.188 285 HD2 ARG 36 HD2 ARG 36 -4.177 0.590 5.291 286 HD3 ARG 36 HD1 ARG 36 -2.962 0.559 4.013 287 HE ARG 36 HE ARG 36 -2.804 2.969 5.492 288 HH11 ARG 36 HH11 ARG 36 -1.953 -0.460 5.708 289 HH12 ARG 36 HH12 ARG 36 -0.672 -0.260 6.795 290 HH21 ARG 36 HH21 ARG 36 -1.042 3.295 7.040 291 HH22 ARG 36 HH22 ARG 36 -0.150 1.967 7.597 292 H LEU 37 H LEU 37 -2.944 3.402 -0.091 293 HA LEU 37 HA LEU 37 -1.250 5.619 0.053 294 HB2 LEU 37 HB2 LEU 37 -0.675 3.572 -1.142 295 HB3 LEU 37 HB1 LEU 37 -1.984 3.813 -2.262 296 HG LEU 37 HG LEU 37 0.366 4.226 -3.138 297 HD11 LEU 37 HD11 LEU 37 -1.533 4.998 -4.381 298 HD12 LEU 37 HD12 LEU 37 -0.230 6.183 -4.464 299 HD13 LEU 37 HD13 LEU 37 -1.612 6.463 -3.404 300 HD21 LEU 37 HD21 LEU 37 0.121 6.722 -1.468 301 HD22 LEU 37 HD22 LEU 37 1.372 6.407 -2.670 302 HD23 LEU 37 HD23 LEU 37 1.272 5.409 -1.220 303 H ARG 38 H ARG 38 -4.196 5.083 -1.768 304 HA ARG 38 HA ARG 38 -4.165 7.413 -3.294 305 HB2 ARG 38 HB2 ARG 38 -5.644 5.416 -3.609 306 HB3 ARG 38 HB1 ARG 38 -6.602 5.981 -2.259 307 HG2 ARG 38 HG2 ARG 38 -7.174 8.002 -3.475 308 HG3 ARG 38 HG1 ARG 38 -6.155 7.490 -4.824 309 HD2 ARG 38 HD2 ARG 38 -7.543 5.441 -5.003 310 HD3 ARG 38 HD1 ARG 38 -8.631 6.123 -3.793 311 HE ARG 38 HE ARG 38 -8.426 8.040 -5.708 312 HH11 ARG 38 HH11 ARG 38 -9.449 4.636 -5.697 313 HH12 ARG 38 HH12 ARG 38 -10.404 4.800 -7.098 314 HH21 ARG 38 HH21 ARG 38 -9.756 8.227 -7.613 315 HH22 ARG 38 HH22 ARG 38 -10.591 6.860 -8.185 316 H GLU 39 H GLU 39 -5.563 6.815 -0.085 317 HA GLU 39 HA GLU 39 -6.389 9.563 0.120 318 HB2 GLU 39 HB2 GLU 39 -6.971 8.980 2.502 319 HB3 GLU 39 HB1 GLU 39 -7.801 8.048 1.267 320 HG2 GLU 39 HG2 GLU 39 -6.468 6.153 1.676 321 HG3 GLU 39 HG1 GLU 39 -5.349 7.073 2.679 322 H ARG 40 H ARG 40 -3.615 7.732 0.981 323 HA ARG 40 HA ARG 40 -2.360 9.273 2.946 324 HB2 ARG 40 HB2 ARG 40 -1.588 7.044 2.105 325 HB3 ARG 40 HB1 ARG 40 -1.092 7.814 0.618 326 HG2 ARG 40 HG2 ARG 40 0.833 7.390 1.987 327 HG3 ARG 40 HG1 ARG 40 0.565 9.131 1.890 328 HD2 ARG 40 HD2 ARG 40 -0.343 9.198 4.074 329 HD3 ARG 40 HD1 ARG 40 -0.448 7.440 4.160 330 HE ARG 40 HE ARG 40 2.217 8.278 3.746 331 HH11 ARG 40 HH11 ARG 40 -0.262 8.169 6.266 332 HH12 ARG 40 HH12 ARG 40 0.842 7.924 7.532 333 HH21 ARG 40 HH21 ARG 40 3.745 7.960 5.527 334 HH22 ARG 40 HH22 ARG 40 3.144 7.844 7.120 335 H GLU 41 H GLU 41 -1.870 9.333 -0.569 336 HA GLU 41 HA GLU 41 -0.473 11.821 -0.455 337 HB2 GLU 41 HB2 GLU 41 -1.645 10.395 -2.837 338 HB3 GLU 41 HB1 GLU 41 -0.530 11.749 -2.901 339 HG2 GLU 41 HG2 GLU 41 1.140 10.322 -1.720 340 HG3 GLU 41 HG1 GLU 41 0.019 8.972 -1.900 341 H GLY 42 H GLY 42 -3.717 10.748 -1.254 342 HA2 GLY 42 HA2 GLY 42 -4.731 13.053 -2.449 343 HA3 GLY 42 HA1 GLY 42 -5.683 11.821 -1.646 344 H ARG 43 H ARG 43 -4.064 12.508 0.859 345 HA ARG 43 HA ARG 43 -5.842 14.382 2.007 346 HB2 ARG 43 HB2 ARG 43 -4.600 12.706 3.347 347 HB3 ARG 43 HB1 ARG 43 -3.093 13.509 2.944 348 HG2 ARG 43 HG2 ARG 43 -3.819 15.503 4.144 349 HG3 ARG 43 HG1 ARG 43 -5.347 14.712 4.533 350 HD2 ARG 43 HD2 ARG 43 -4.152 13.015 5.806 351 HD3 ARG 43 HD1 ARG 43 -2.614 13.773 5.389 352 HE ARG 43 HE ARG 43 -4.157 15.732 6.522 353 HH11 ARG 43 HH11 ARG 43 -2.852 12.615 7.613 354 HH12 ARG 43 HH12 ARG 43 -2.619 13.088 9.223 355 HH21 ARG 43 HH21 ARG 43 -3.864 16.384 8.785 356 HH22 ARG 43 HH22 ARG 43 -3.239 15.275 9.914 357 H ARG 44 H ARG 44 -2.809 14.643 0.353 358 HA ARG 44 HA ARG 44 -2.738 17.544 0.856 359 HB2 ARG 44 HB2 ARG 44 -0.744 16.228 1.588 360 HB3 ARG 44 HB1 ARG 44 -0.493 15.757 -0.087 361 HG2 ARG 44 HG2 ARG 44 -0.275 18.149 -0.674 362 HG3 ARG 44 HG1 ARG 44 -0.383 18.532 1.046 363 HD2 ARG 44 HD2 ARG 44 1.916 18.499 0.418 364 HD3 ARG 44 HD1 ARG 44 1.598 17.083 1.423 365 HE ARG 44 HE ARG 44 1.316 16.563 -1.369 366 HH11 ARG 44 HH11 ARG 44 3.746 16.865 1.199 367 HH12 ARG 44 HH12 ARG 44 4.875 15.838 0.459 368 HH21 ARG 44 HH21 ARG 44 2.881 15.144 -2.396 369 HH22 ARG 44 HH22 ARG 44 4.370 14.836 -1.655 370 H GLU 45 H GLU 45 -2.110 15.065 -1.618 371 HA GLU 45 HA GLU 45 -2.086 16.972 -3.762 372 HB2 GLU 45 HB2 GLU 45 -2.162 13.953 -3.906 373 HB3 GLU 45 HB1 GLU 45 -1.672 15.060 -5.175 374 HG2 GLU 45 HG2 GLU 45 -0.204 14.551 -2.594 375 HG3 GLU 45 HG1 GLU 45 0.228 13.926 -4.179 376 H VAL 46 H VAL 46 -4.044 17.811 -4.155 377 HA VAL 46 HA VAL 46 -6.363 16.042 -4.150 378 HB VAL 46 HB VAL 46 -6.266 19.072 -4.392 379 HG11 VAL 46 HG11 VAL 46 -8.672 18.979 -3.898 380 HG12 VAL 46 HG12 VAL 46 -8.600 17.215 -3.922 381 HG13 VAL 46 3HG1 VAL 46 -8.265 18.134 -5.391 382 HG21 VAL 46 HG21 VAL 46 -6.909 17.365 -1.985 383 HG22 VAL 46 HG22 VAL 46 -7.046 19.123 -2.062 384 HG23 VAL 46 HG23 VAL 46 -5.465 18.353 -2.202 385 H ASP 47 H ASP 47 -6.387 14.998 -6.040 386 HA ASP 47 HA ASP 47 -6.291 16.626 -8.433 387 HB2 ASP 47 HB2 ASP 47 -5.156 14.886 -9.691 388 HB3 ASP 47 HB1 ASP 47 -4.203 15.247 -8.269 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 11.686 12.056 2.764 2 H3 PRO 1 HT2 PRO 1 10.794 13.080 1.876 3 HA PRO 1 HA PRO 1 9.198 11.716 1.528 4 HB2 PRO 1 HB2 PRO 1 10.481 9.194 2.162 5 HB3 PRO 1 HB1 PRO 1 9.509 9.642 0.756 6 HG2 PRO 1 HG2 PRO 1 12.387 9.551 0.976 7 HG3 PRO 1 HG1 PRO 1 11.397 9.896 -0.447 8 HD2 PRO 1 HD2 PRO 1 13.006 11.752 0.853 9 HD3 PRO 1 HD1 PRO 1 11.646 12.164 -0.203 10 H ARG 2 H ARG 2 7.836 11.560 3.116 11 HA ARG 2 HA ARG 2 8.211 10.095 5.460 12 HB2 ARG 2 HB2 ARG 2 9.550 12.187 6.054 13 HB3 ARG 2 HB1 ARG 2 8.072 13.112 5.848 14 HG2 ARG 2 HG2 ARG 2 8.482 12.687 8.199 15 HG3 ARG 2 HG1 ARG 2 7.029 11.830 7.670 16 HD2 ARG 2 HD2 ARG 2 8.317 9.773 7.436 17 HD3 ARG 2 HD1 ARG 2 9.777 10.626 7.926 18 HE ARG 2 HE ARG 2 8.089 11.008 9.993 19 HH11 ARG 2 HH11 ARG 2 9.208 8.148 8.255 20 HH12 ARG 2 HH12 ARG 2 9.090 7.101 9.580 21 HH21 ARG 2 HH21 ARG 2 7.947 9.566 11.858 22 HH22 ARG 2 HH22 ARG 2 8.368 7.925 11.674 23 H GLY 3 H GLY 3 6.272 9.226 5.111 24 HA2 GLY 3 HA2 GLY 3 3.944 9.145 5.189 25 HA3 GLY 3 HA1 GLY 3 3.904 10.910 5.234 26 H SER 4 H SER 4 5.298 8.558 3.023 27 HA SER 4 HA SER 4 4.312 10.125 0.786 28 HB2 SER 4 HB2 SER 4 6.299 7.839 0.793 29 HB3 SER 4 HB1 SER 4 6.020 9.020 -0.487 30 HG SER 4 HG SER 4 6.960 10.541 0.632 31 HA PRO 5 HA PRO 5 0.991 7.327 -0.046 32 HB2 PRO 5 HB2 PRO 5 0.919 7.499 -2.784 33 HB3 PRO 5 HB1 PRO 5 0.243 8.705 -1.687 34 HG2 PRO 5 HG2 PRO 5 2.875 8.698 -3.104 35 HG3 PRO 5 HG1 PRO 5 1.738 10.037 -2.870 36 HD2 PRO 5 HD2 PRO 5 3.935 9.818 -1.378 37 HD3 PRO 5 HD1 PRO 5 2.404 10.383 -0.679 38 H ARG 6 H ARG 6 3.996 6.703 -1.894 39 HA ARG 6 HA ARG 6 2.840 4.140 -2.663 40 HB2 ARG 6 HB2 ARG 6 5.436 5.398 -3.549 41 HB3 ARG 6 HB1 ARG 6 4.775 3.885 -4.140 42 HG2 ARG 6 HG2 ARG 6 2.834 5.066 -5.021 43 HG3 ARG 6 HG1 ARG 6 3.510 6.594 -4.454 44 HD2 ARG 6 HD2 ARG 6 4.712 4.736 -6.497 45 HD3 ARG 6 HD1 ARG 6 3.948 6.290 -6.810 46 HE ARG 6 HE ARG 6 6.234 6.261 -5.021 47 HH11 ARG 6 HH11 ARG 6 4.937 7.055 -8.219 48 HH12 ARG 6 HH12 ARG 6 6.308 7.939 -8.695 49 HH21 ARG 6 HH21 ARG 6 8.077 7.465 -5.671 50 HH22 ARG 6 HH22 ARG 6 8.145 8.182 -7.215 51 H THR 7 H THR 7 5.014 5.589 -0.557 52 HA THR 7 HA THR 7 6.663 3.448 0.047 53 HB THR 7 HB THR 7 5.767 5.750 1.754 54 HG1 THR 7 HG1 THR 7 7.300 5.498 -0.576 55 HG21 THR 7 HG21 THR 7 8.027 5.617 2.559 56 HG22 THR 7 HG22 THR 7 8.330 4.266 1.444 57 HG23 THR 7 HG23 THR 7 7.189 4.066 2.799 58 H GLU 8 H GLU 8 3.668 4.710 1.504 59 HA GLU 8 HA GLU 8 3.271 2.835 3.561 60 HB2 GLU 8 HB2 GLU 8 1.982 4.924 3.281 61 HB3 GLU 8 HB1 GLU 8 1.257 4.280 1.819 62 HG2 GLU 8 HG2 GLU 8 -0.361 4.079 3.502 63 HG3 GLU 8 HG1 GLU 8 0.274 2.460 3.238 64 H TYR 9 H TYR 9 2.328 2.908 0.180 65 HA TYR 9 HA TYR 9 0.710 0.694 0.036 66 HB2 TYR 9 HB2 TYR 9 0.557 2.470 -1.476 67 HB3 TYR 9 HB1 TYR 9 2.274 2.420 -1.810 68 HD1 TYR 9 HD1 TYR 9 -0.937 0.907 -2.485 69 HD2 TYR 9 HD2 TYR 9 3.152 0.975 -3.325 70 HE1 TYR 9 HE1 TYR 9 -1.408 -0.350 -4.509 71 HE2 TYR 9 HE2 TYR 9 2.817 -0.342 -5.386 72 HH TYR 9 HH TYR 9 -0.312 -0.830 -6.699 73 H GLU 10 H GLU 10 4.114 1.161 -0.988 74 HA GLU 10 HA GLU 10 4.418 -1.477 -1.899 75 HB2 GLU 10 HB2 GLU 10 5.745 0.526 -2.622 76 HB3 GLU 10 HB1 GLU 10 6.611 0.427 -1.096 77 HG2 GLU 10 HG2 GLU 10 7.889 -0.595 -2.849 78 HG3 GLU 10 HG1 GLU 10 7.366 -1.828 -1.692 79 H ALA 11 H ALA 11 5.222 0.094 1.178 80 HA ALA 11 HA ALA 11 6.647 -2.059 2.300 81 HB1 ALA 11 HB1 ALA 11 4.945 -0.003 3.722 82 HB2 ALA 11 HB2 ALA 11 6.646 0.192 3.294 83 HB3 ALA 11 HB3 ALA 11 6.166 -1.031 4.472 84 H CYS 12 H CYS 12 3.272 -1.336 2.049 85 HA CYS 12 HA CYS 12 2.212 -3.348 3.721 86 HB2 CYS 12 HB2 CYS 12 0.950 -1.382 2.904 87 HB3 CYS 12 HB1 CYS 12 1.059 -2.007 1.274 88 H ARG 13 H ARG 13 3.074 -3.218 0.297 89 HA ARG 13 HA ARG 13 2.026 -5.747 -0.432 90 HB2 ARG 13 HB2 ARG 13 4.279 -4.213 -1.719 91 HB3 ARG 13 HB1 ARG 13 3.394 -5.545 -2.440 92 HG2 ARG 13 HG2 ARG 13 1.353 -4.154 -2.377 93 HG3 ARG 13 HG1 ARG 13 2.329 -2.821 -1.763 94 HD2 ARG 13 HD2 ARG 13 2.071 -2.598 -4.148 95 HD3 ARG 13 HD1 ARG 13 3.750 -2.967 -3.760 96 HE ARG 13 HE ARG 13 1.837 -5.008 -4.682 97 HH11 ARG 13 HH11 ARG 13 5.121 -3.662 -4.729 98 HH12 ARG 13 HH12 ARG 13 5.621 -4.605 -6.053 99 HH21 ARG 13 HH21 ARG 13 2.560 -6.315 -6.455 100 HH22 ARG 13 HH22 ARG 13 4.166 -6.187 -7.022 101 H VAL 14 H VAL 14 5.271 -4.631 0.440 102 HA VAL 14 HA VAL 14 6.564 -7.123 0.197 103 HB VAL 14 HB VAL 14 7.317 -4.836 2.054 104 HG11 VAL 14 HG11 VAL 14 9.596 -5.744 1.935 105 HG12 VAL 14 HG12 VAL 14 9.003 -7.091 0.965 106 HG13 VAL 14 3HG1 VAL 14 8.465 -6.904 2.634 107 HG21 VAL 14 HG21 VAL 14 8.233 -5.386 -0.772 108 HG22 VAL 14 HG22 VAL 14 8.839 -4.104 0.278 109 HG23 VAL 14 HG23 VAL 14 7.162 -4.079 -0.266 110 H ARG 15 H ARG 15 5.079 -5.502 2.937 111 HA ARG 15 HA ARG 15 5.696 -7.234 5.009 112 HB2 ARG 15 HB2 ARG 15 4.617 -4.990 5.141 113 HB3 ARG 15 HB1 ARG 15 3.126 -5.736 4.613 114 HG2 ARG 15 HG2 ARG 15 3.092 -7.107 6.638 115 HG3 ARG 15 HG1 ARG 15 4.599 -6.347 7.167 116 HD2 ARG 15 HD2 ARG 15 1.955 -4.984 6.682 117 HD3 ARG 15 HD1 ARG 15 2.766 -5.208 8.238 118 HE ARG 15 HE ARG 15 4.602 -3.848 7.069 119 HH11 ARG 15 HH11 ARG 15 1.098 -3.255 6.812 120 HH12 ARG 15 HH12 ARG 15 1.302 -1.634 6.337 121 HH21 ARG 15 HH21 ARG 15 4.827 -1.611 6.445 122 HH22 ARG 15 HH22 ARG 15 3.448 -0.670 6.150 123 H CYS 16 H CYS 16 2.746 -7.214 3.018 124 HA CYS 16 HA CYS 16 1.841 -9.597 4.230 125 HB2 CYS 16 HB2 CYS 16 0.831 -8.109 1.816 126 HB3 CYS 16 HB1 CYS 16 0.031 -9.522 2.509 127 H GLN 17 H GLN 17 3.814 -8.989 1.459 128 HA GLN 17 HA GLN 17 3.589 -11.493 0.174 129 HB2 GLN 17 HB2 GLN 17 4.660 -9.517 -0.842 130 HB3 GLN 17 HB1 GLN 17 5.925 -9.571 0.364 131 HG2 GLN 17 HG2 GLN 17 6.822 -10.433 -1.663 132 HG3 GLN 17 HG1 GLN 17 6.605 -11.782 -0.560 133 HE21 GLN 17 1HE2 GLN 17 5.167 -13.384 -1.080 134 HE22 GLN 17 2HE2 GLN 17 4.411 -13.489 -2.627 135 H VAL 18 H VAL 18 5.286 -10.387 3.011 136 HA VAL 18 HA VAL 18 6.699 -12.922 3.262 137 HB VAL 18 HB VAL 18 6.828 -10.462 5.037 138 HG11 VAL 18 HG11 VAL 18 7.400 -12.515 6.246 139 HG12 VAL 18 HG12 VAL 18 8.813 -11.484 6.023 140 HG13 VAL 18 3HG1 VAL 18 8.594 -12.909 5.010 141 HG21 VAL 18 HG21 VAL 18 8.733 -11.457 2.924 142 HG22 VAL 18 HG22 VAL 18 9.039 -10.109 4.015 143 HG23 VAL 18 HG23 VAL 18 7.731 -10.008 2.835 144 H ALA 19 H ALA 19 4.630 -10.878 5.308 145 HA ALA 19 HA ALA 19 4.355 -12.737 7.384 146 HB1 ALA 19 HB1 ALA 19 4.102 -10.313 7.629 147 HB2 ALA 19 HB2 ALA 19 2.768 -11.227 8.327 148 HB3 ALA 19 HB3 ALA 19 2.562 -10.412 6.777 149 H GLU 20 H GLU 20 1.999 -11.846 4.855 150 HA GLU 20 HA GLU 20 -0.027 -13.511 5.962 151 HB2 GLU 20 HB2 GLU 20 0.191 -12.217 3.251 152 HB3 GLU 20 HB1 GLU 20 -1.236 -13.042 3.861 153 HG2 GLU 20 HG2 GLU 20 0.022 -10.606 5.098 154 HG3 GLU 20 HG1 GLU 20 -1.389 -10.600 4.043 155 H HIS 21 H HIS 21 2.012 -13.732 3.120 156 HA HIS 21 HA HIS 21 2.595 -15.363 1.735 157 HB2 HIS 21 HB2 HIS 21 3.663 -16.260 3.824 158 HB3 HIS 21 HB1 HIS 21 2.223 -17.224 4.109 159 HD1 HIS 21 HD1 HIS 21 5.285 -17.056 1.930 160 HD2 HIS 21 HD2 HIS 21 1.999 -19.519 2.547 161 HE1 HIS 21 HE1 HIS 21 5.786 -19.200 0.719 162 H GLY 22 H GLY 22 0.693 -14.873 0.634 163 HA2 GLY 22 HA2 GLY 22 -0.674 -17.043 -0.350 164 HA3 GLY 22 HA1 GLY 22 -1.704 -16.325 0.891 165 H VAL 23 H VAL 23 -1.742 -16.426 -2.135 166 HA VAL 23 HA VAL 23 -1.207 -13.898 -3.227 167 HB VAL 23 HB VAL 23 -3.252 -15.937 -4.133 168 HG11 VAL 23 HG11 VAL 23 -1.890 -13.735 -5.662 169 HG12 VAL 23 HG12 VAL 23 -3.591 -13.771 -5.194 170 HG13 VAL 23 3HG1 VAL 23 -2.970 -14.942 -6.359 171 HG21 VAL 23 HG21 VAL 23 -0.354 -15.627 -4.908 172 HG22 VAL 23 HG22 VAL 23 -1.497 -16.767 -5.621 173 HG23 VAL 23 HG23 VAL 23 -1.037 -16.923 -3.927 174 H GLU 24 H GLU 24 -4.223 -15.315 -2.093 175 HA GLU 24 HA GLU 24 -5.986 -13.225 -2.607 176 HB2 GLU 24 HB2 GLU 24 -6.612 -15.530 -1.991 177 HB3 GLU 24 HB1 GLU 24 -6.028 -15.244 -0.363 178 HG2 GLU 24 HG2 GLU 24 -7.743 -13.496 -0.096 179 HG3 GLU 24 HG1 GLU 24 -8.355 -13.898 -1.702 180 H ARG 25 H ARG 25 -4.191 -14.018 0.312 181 HA ARG 25 HA ARG 25 -5.130 -11.903 1.931 182 HB2 ARG 25 HB2 ARG 25 -2.547 -13.449 2.120 183 HB3 ARG 25 HB1 ARG 25 -3.186 -12.388 3.366 184 HG2 ARG 25 HG2 ARG 25 -4.494 -14.907 2.361 185 HG3 ARG 25 HG1 ARG 25 -3.589 -14.740 3.865 186 HD2 ARG 25 HD2 ARG 25 -6.146 -13.300 3.144 187 HD3 ARG 25 HD1 ARG 25 -5.981 -14.639 4.273 188 HE ARG 25 HE ARG 25 -4.280 -12.534 5.085 189 HH11 ARG 25 HH11 ARG 25 -7.723 -13.307 4.922 190 HH12 ARG 25 HH12 ARG 25 -8.134 -12.302 6.231 191 HH21 ARG 25 HH21 ARG 25 -4.823 -11.210 6.870 192 HH22 ARG 25 HH22 ARG 25 -6.442 -11.086 7.382 193 H GLN 26 H GLN 26 -2.322 -12.192 -0.172 194 HA GLN 26 HA GLN 26 -1.166 -9.735 0.574 195 HB2 GLN 26 HB2 GLN 26 0.066 -11.562 -0.537 196 HB3 GLN 26 HB1 GLN 26 -0.853 -11.265 -2.003 197 HG2 GLN 26 HG2 GLN 26 0.106 -9.051 -2.190 198 HG3 GLN 26 HG1 GLN 26 0.981 -9.287 -0.676 199 HE21 GLN 26 1HE2 GLN 26 2.000 -8.741 -3.342 200 HE22 GLN 26 2HE2 GLN 26 3.073 -10.044 -3.690 201 H ARG 27 H ARG 27 -3.346 -10.670 -2.063 202 HA ARG 27 HA ARG 27 -3.433 -8.114 -3.258 203 HB2 ARG 27 HB2 ARG 27 -5.517 -10.289 -3.326 204 HB3 ARG 27 HB1 ARG 27 -5.526 -8.872 -4.360 205 HG2 ARG 27 HG2 ARG 27 -3.326 -9.623 -5.269 206 HG3 ARG 27 HG1 ARG 27 -3.518 -11.109 -4.334 207 HD2 ARG 27 HD2 ARG 27 -5.266 -10.091 -6.564 208 HD3 ARG 27 HD1 ARG 27 -4.278 -11.551 -6.548 209 HE ARG 27 HE ARG 27 -6.492 -11.270 -4.645 210 HH11 ARG 27 HH11 ARG 27 -5.083 -13.050 -7.409 211 HH12 ARG 27 HH12 ARG 27 -6.321 -14.228 -7.360 212 HH21 ARG 27 HH21 ARG 27 -8.111 -12.867 -4.675 213 HH22 ARG 27 HH22 ARG 27 -8.017 -14.166 -5.794 214 H ARG 28 H ARG 28 -5.279 -9.583 -0.675 215 HA ARG 28 HA ARG 28 -7.191 -7.568 -0.330 216 HB2 ARG 28 HB2 ARG 28 -5.876 -9.335 1.738 217 HB3 ARG 28 HB1 ARG 28 -7.209 -8.250 2.095 218 HG2 ARG 28 HG2 ARG 28 -7.252 -10.612 0.231 219 HG3 ARG 28 HG1 ARG 28 -8.045 -10.481 1.803 220 HD2 ARG 28 HD2 ARG 28 -8.667 -8.923 -0.700 221 HD3 ARG 28 HD1 ARG 28 -9.689 -10.110 0.097 222 HE ARG 28 HE ARG 28 -9.549 -8.452 2.044 223 HH11 ARG 28 HH11 ARG 28 -9.760 -7.593 -1.386 224 HH12 ARG 28 HH12 ARG 28 -10.489 -6.077 -1.117 225 HH21 ARG 28 HH21 ARG 28 -10.504 -6.353 2.415 226 HH22 ARG 28 HH22 ARG 28 -10.896 -5.329 1.112 227 H CYS 29 H CYS 29 -3.960 -7.868 1.084 228 HA CYS 29 HA CYS 29 -3.943 -5.466 2.478 229 HB2 CYS 29 HB2 CYS 29 -1.686 -6.919 1.117 230 HB3 CYS 29 HB1 CYS 29 -1.494 -5.615 2.275 231 H GLN 30 H GLN 30 -2.928 -6.265 -0.814 232 HA GLN 30 HA GLN 30 -1.950 -3.746 -1.473 233 HB2 GLN 30 HB2 GLN 30 -3.027 -5.880 -3.305 234 HB3 GLN 30 HB1 GLN 30 -2.108 -4.471 -3.819 235 HG2 GLN 30 HG2 GLN 30 -0.222 -5.239 -2.424 236 HG3 GLN 30 HG1 GLN 30 -1.142 -6.677 -2.024 237 HE21 GLN 30 1HE2 GLN 30 -2.251 -6.856 -4.764 238 HE22 GLN 30 2HE2 GLN 30 -0.960 -7.470 -5.726 239 H GLN 31 H GLN 31 -5.222 -5.065 -1.834 240 HA GLN 31 HA GLN 31 -6.212 -2.876 -3.310 241 HB2 GLN 31 HB2 GLN 31 -7.410 -5.037 -3.132 242 HB3 GLN 31 HB1 GLN 31 -7.765 -4.684 -1.445 243 HG2 GLN 31 HG2 GLN 31 -9.013 -2.685 -2.146 244 HG3 GLN 31 HG1 GLN 31 -8.699 -3.100 -3.827 245 HE21 GLN 31 1HE2 GLN 31 -9.764 -4.852 -4.722 246 HE22 GLN 31 2HE2 GLN 31 -11.172 -5.526 -4.005 247 H VAL 32 H VAL 32 -6.193 -3.498 0.177 248 HA VAL 32 HA VAL 32 -7.555 -1.121 0.907 249 HB VAL 32 HB VAL 32 -5.626 -2.797 2.548 250 HG11 VAL 32 HG11 VAL 32 -7.677 -0.777 3.460 251 HG12 VAL 32 HG12 VAL 32 -5.927 -0.582 3.532 252 HG13 VAL 32 3HG1 VAL 32 -6.718 -1.813 4.517 253 HG21 VAL 32 HG21 VAL 32 -7.534 -4.082 1.730 254 HG22 VAL 32 HG22 VAL 32 -8.637 -2.880 2.409 255 HG23 VAL 32 HG23 VAL 32 -7.619 -3.848 3.475 256 H CYS 33 H CYS 33 -4.143 -1.943 0.647 257 HA CYS 33 HA CYS 33 -3.329 0.635 1.497 258 HB2 CYS 33 HB2 CYS 33 -1.734 -1.595 0.241 259 HB3 CYS 33 HB1 CYS 33 -1.048 -0.144 0.975 260 H GLU 34 H GLU 34 -4.288 -0.637 -1.521 261 HA GLU 34 HA GLU 34 -3.069 1.326 -3.174 262 HB2 GLU 34 HB2 GLU 34 -3.903 -0.751 -4.116 263 HB3 GLU 34 HB1 GLU 34 -5.520 -0.402 -3.537 264 HG2 GLU 34 HG2 GLU 34 -5.688 1.456 -5.078 265 HG3 GLU 34 HG1 GLU 34 -4.040 1.162 -5.627 266 H LYS 35 H LYS 35 -6.017 1.073 -1.325 267 HA LYS 35 HA LYS 35 -7.239 3.448 -2.237 268 HB2 LYS 35 HB2 LYS 35 -7.448 2.112 0.473 269 HB3 LYS 35 HB1 LYS 35 -8.523 3.364 -0.132 270 HG2 LYS 35 HG2 LYS 35 -9.293 1.882 -1.895 271 HG3 LYS 35 HG1 LYS 35 -8.171 0.635 -1.355 272 HD2 LYS 35 HD2 LYS 35 -10.421 0.172 -0.541 273 HD3 LYS 35 HD1 LYS 35 -9.338 0.526 0.803 274 HE2 LYS 35 HE2 LYS 35 -10.204 2.793 0.933 275 HE3 LYS 35 HE1 LYS 35 -11.240 2.502 -0.463 276 HZ1 LYS 35 HZ1 LYS 35 -12.406 0.832 0.814 277 HZ2 LYS 35 HZ2 LYS 35 -12.460 2.322 1.592 278 HZ3 LYS 35 HZ3 LYS 35 -11.419 1.113 2.152 279 H ARG 36 H ARG 36 -5.217 2.702 0.540 280 HA ARG 36 HA ARG 36 -4.901 5.274 1.590 281 HB2 ARG 36 HB2 ARG 36 -2.945 2.967 1.647 282 HB3 ARG 36 HB1 ARG 36 -2.875 4.379 2.696 283 HG2 ARG 36 HG2 ARG 36 -4.972 3.795 3.712 284 HG3 ARG 36 HG1 ARG 36 -5.192 2.466 2.579 285 HD2 ARG 36 HD2 ARG 36 -4.448 1.540 4.642 286 HD3 ARG 36 HD1 ARG 36 -3.135 1.445 3.487 287 HE ARG 36 HE ARG 36 -2.173 3.424 4.618 288 HH11 ARG 36 HH11 ARG 36 -4.559 1.509 6.419 289 HH12 ARG 36 HH12 ARG 36 -3.799 1.735 7.927 290 HH21 ARG 36 HH21 ARG 36 -1.139 3.724 6.700 291 HH22 ARG 36 HH22 ARG 36 -1.852 3.042 8.101 292 H LEU 37 H LEU 37 -3.097 3.560 -0.892 293 HA LEU 37 HA LEU 37 -1.024 5.283 -1.499 294 HB2 LEU 37 HB2 LEU 37 -1.191 3.104 -2.494 295 HB3 LEU 37 HB1 LEU 37 -2.745 3.478 -3.190 296 HG LEU 37 HG LEU 37 -1.640 5.056 -4.713 297 HD11 LEU 37 HD11 LEU 37 0.766 4.939 -5.034 298 HD12 LEU 37 HD12 LEU 37 0.891 3.870 -3.632 299 HD13 LEU 37 HD13 LEU 37 0.357 5.539 -3.424 300 HD21 LEU 37 HD21 LEU 37 -0.671 2.226 -4.846 301 HD22 LEU 37 HD22 LEU 37 -0.673 3.372 -6.187 302 HD23 LEU 37 HD23 LEU 37 -2.198 2.854 -5.466 303 H ARG 38 H ARG 38 -4.203 5.115 -3.071 304 HA ARG 38 HA ARG 38 -3.782 7.416 -4.658 305 HB2 ARG 38 HB2 ARG 38 -6.331 5.977 -4.010 306 HB3 ARG 38 HB1 ARG 38 -6.158 7.213 -5.247 307 HG2 ARG 38 HG2 ARG 38 -4.568 5.812 -6.441 308 HG3 ARG 38 HG1 ARG 38 -4.712 4.580 -5.187 309 HD2 ARG 38 HD2 ARG 38 -6.917 5.568 -6.981 310 HD3 ARG 38 HD1 ARG 38 -6.099 4.006 -7.082 311 HE ARG 38 HE ARG 38 -7.570 4.767 -4.656 312 HH11 ARG 38 HH11 ARG 38 -7.187 2.582 -7.410 313 HH12 ARG 38 HH12 ARG 38 -8.270 1.427 -6.795 314 HH21 ARG 38 HH21 ARG 38 -9.069 3.226 -3.850 315 HH22 ARG 38 HH22 ARG 38 -9.371 1.796 -4.730 316 H GLU 39 H GLU 39 -5.445 6.899 -1.620 317 HA GLU 39 HA GLU 39 -6.627 9.439 -1.461 318 HB2 GLU 39 HB2 GLU 39 -5.828 7.481 0.657 319 HB3 GLU 39 HB1 GLU 39 -6.624 9.002 1.019 320 HG2 GLU 39 HG2 GLU 39 -8.528 8.307 -0.359 321 HG3 GLU 39 HG1 GLU 39 -7.722 6.763 -0.656 322 H ARG 40 H ARG 40 -3.530 8.231 -0.218 323 HA ARG 40 HA ARG 40 -2.929 10.671 1.065 324 HB2 ARG 40 HB2 ARG 40 -1.884 8.517 1.690 325 HB3 ARG 40 HB1 ARG 40 -1.001 8.523 0.172 326 HG2 ARG 40 HG2 ARG 40 0.243 10.457 0.825 327 HG3 ARG 40 HG1 ARG 40 -0.742 10.666 2.270 328 HD2 ARG 40 HD2 ARG 40 1.109 8.357 1.674 329 HD3 ARG 40 HD1 ARG 40 1.382 9.647 2.837 330 HE ARG 40 HE ARG 40 -1.033 8.440 3.470 331 HH11 ARG 40 HH11 ARG 40 2.425 7.557 3.463 332 HH12 ARG 40 HH12 ARG 40 2.255 6.464 4.748 333 HH21 ARG 40 HH21 ARG 40 -1.232 6.837 5.152 334 HH22 ARG 40 HH22 ARG 40 0.133 5.960 5.644 335 H GLU 41 H GLU 41 -2.134 9.405 -2.142 336 HA GLU 41 HA GLU 41 -0.586 11.714 -2.755 337 HB2 GLU 41 HB2 GLU 41 -0.593 10.925 -5.103 338 HB3 GLU 41 HB1 GLU 41 -0.086 9.680 -3.978 339 HG2 GLU 41 HG2 GLU 41 -2.202 8.602 -4.135 340 HG3 GLU 41 HG1 GLU 41 -2.848 9.905 -5.130 341 H GLY 42 H GLY 42 -3.978 10.872 -3.174 342 HA2 GLY 42 HA2 GLY 42 -4.618 13.056 -4.891 343 HA3 GLY 42 HA1 GLY 42 -5.757 12.079 -3.976 344 H ARG 43 H ARG 43 -4.344 12.690 -1.475 345 HA ARG 43 HA ARG 43 -5.590 15.218 -0.984 346 HB2 ARG 43 HB2 ARG 43 -4.231 13.275 0.868 347 HB3 ARG 43 HB1 ARG 43 -4.850 14.835 1.403 348 HG2 ARG 43 HG2 ARG 43 -7.078 14.231 0.698 349 HG3 ARG 43 HG1 ARG 43 -6.489 12.690 0.083 350 HD2 ARG 43 HD2 ARG 43 -5.841 12.040 2.346 351 HD3 ARG 43 HD1 ARG 43 -6.413 13.592 2.960 352 HE ARG 43 HE ARG 43 -8.629 12.973 2.224 353 HH11 ARG 43 HH11 ARG 43 -6.300 10.370 2.815 354 HH12 ARG 43 HH12 ARG 43 -7.485 9.135 2.836 355 HH21 ARG 43 HH21 ARG 43 -10.266 11.217 2.376 356 HH22 ARG 43 HH22 ARG 43 -9.737 9.627 2.642 357 H ARG 44 H ARG 44 -2.350 13.988 -1.272 358 HA ARG 44 HA ARG 44 -1.128 16.431 -0.416 359 HB2 ARG 44 HB2 ARG 44 0.071 14.295 -0.239 360 HB3 ARG 44 HB1 ARG 44 0.014 14.102 -1.981 361 HG2 ARG 44 HG2 ARG 44 2.228 14.832 -1.216 362 HG3 ARG 44 HG1 ARG 44 1.462 16.020 -2.268 363 HD2 ARG 44 HD2 ARG 44 2.586 17.048 -0.332 364 HD3 ARG 44 HD1 ARG 44 0.858 17.381 -0.383 365 HE ARG 44 HE ARG 44 1.598 15.112 1.221 366 HH11 ARG 44 HH11 ARG 44 1.120 18.645 1.206 367 HH12 ARG 44 HH12 ARG 44 0.789 18.757 2.855 368 HH21 ARG 44 HH21 ARG 44 1.139 15.284 3.542 369 HH22 ARG 44 HH22 ARG 44 0.764 16.807 4.210 370 H GLU 45 H GLU 45 -1.952 14.969 -3.514 371 HA GLU 45 HA GLU 45 -1.120 17.367 -4.880 372 HB2 GLU 45 HB2 GLU 45 -2.198 14.754 -5.896 373 HB3 GLU 45 HB1 GLU 45 -1.782 16.107 -6.929 374 HG2 GLU 45 HG2 GLU 45 0.538 15.964 -6.090 375 HG3 GLU 45 HG1 GLU 45 0.060 14.537 -5.164 376 H VAL 46 H VAL 46 -2.553 18.854 -4.356 377 HA VAL 46 HA VAL 46 -5.342 18.277 -4.250 378 HB VAL 46 HB VAL 46 -5.653 20.694 -3.794 379 HG11 VAL 46 HG11 VAL 46 -4.487 20.731 -1.630 380 HG12 VAL 46 HG12 VAL 46 -3.519 19.351 -2.145 381 HG13 VAL 46 3HG1 VAL 46 -5.262 19.182 -1.947 382 HG21 VAL 46 HG21 VAL 46 -2.645 20.840 -4.052 383 HG22 VAL 46 HG22 VAL 46 -3.684 22.134 -3.453 384 HG23 VAL 46 HG23 VAL 46 -3.815 21.601 -5.131 385 H ASP 47 H ASP 47 -6.846 18.701 -5.670 386 HA ASP 47 HA ASP 47 -6.109 20.031 -8.163 387 HB2 ASP 47 HB2 ASP 47 -6.284 17.639 -8.631 388 HB3 ASP 47 HB1 ASP 47 -7.851 17.578 -7.827 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 11.899 10.578 3.152 2 H3 PRO 1 HT2 PRO 1 13.314 11.348 2.960 3 HA PRO 1 HA PRO 1 14.424 9.600 2.460 4 HB2 PRO 1 HB2 PRO 1 12.689 7.489 3.410 5 HB3 PRO 1 HB1 PRO 1 14.396 7.771 3.774 6 HG2 PRO 1 HG2 PRO 1 12.038 8.526 5.329 7 HG3 PRO 1 HG1 PRO 1 13.739 8.507 5.816 8 HD2 PRO 1 HD2 PRO 1 12.322 10.819 5.464 9 HD3 PRO 1 HD1 PRO 1 14.070 10.716 5.188 10 H ARG 2 H ARG 2 14.043 8.055 0.761 11 HA ARG 2 HA ARG 2 13.214 7.398 -1.181 12 HB2 ARG 2 HB2 ARG 2 10.536 7.727 0.193 13 HB3 ARG 2 HB1 ARG 2 10.657 7.203 -1.470 14 HG2 ARG 2 HG2 ARG 2 10.345 5.257 -0.177 15 HG3 ARG 2 HG1 ARG 2 12.046 5.262 -0.622 16 HD2 ARG 2 HD2 ARG 2 11.742 4.603 1.701 17 HD3 ARG 2 HD1 ARG 2 12.616 6.132 1.590 18 HE ARG 2 HE ARG 2 10.044 6.905 1.862 19 HH11 ARG 2 HH11 ARG 2 12.026 4.660 3.763 20 HH12 ARG 2 HH12 ARG 2 11.241 5.003 5.235 21 HH21 ARG 2 HH21 ARG 2 9.021 7.422 3.858 22 HH22 ARG 2 HH22 ARG 2 9.477 6.651 5.293 23 H GLY 3 H GLY 3 11.500 8.097 -2.936 24 HA2 GLY 3 HA2 GLY 3 11.510 11.033 -3.072 25 HA3 GLY 3 HA1 GLY 3 11.998 10.040 -4.448 26 H SER 4 H SER 4 10.194 8.016 -4.319 27 HA SER 4 HA SER 4 7.781 9.383 -5.148 28 HB2 SER 4 HB2 SER 4 8.646 6.510 -5.506 29 HB3 SER 4 HB1 SER 4 7.363 7.352 -6.380 30 HG SER 4 HG SER 4 8.851 8.635 -7.352 31 HA PRO 5 HA PRO 5 6.052 8.111 -1.109 32 HB2 PRO 5 HB2 PRO 5 3.469 8.861 -1.645 33 HB3 PRO 5 HB1 PRO 5 4.734 9.982 -1.126 34 HG2 PRO 5 HG2 PRO 5 3.764 9.376 -3.889 35 HG3 PRO 5 HG1 PRO 5 4.088 10.952 -3.149 36 HD2 PRO 5 HD2 PRO 5 5.838 9.850 -4.812 37 HD3 PRO 5 HD1 PRO 5 6.400 10.704 -3.359 38 H ARG 6 H ARG 6 5.111 6.933 -4.196 39 HA ARG 6 HA ARG 6 3.160 5.005 -3.566 40 HB2 ARG 6 HB2 ARG 6 3.819 3.846 -5.572 41 HB3 ARG 6 HB1 ARG 6 3.811 5.588 -5.869 42 HG2 ARG 6 HG2 ARG 6 6.262 5.585 -5.556 43 HG3 ARG 6 HG1 ARG 6 6.205 3.837 -5.378 44 HD2 ARG 6 HD2 ARG 6 5.229 3.693 -7.656 45 HD3 ARG 6 HD1 ARG 6 5.428 5.439 -7.801 46 HE ARG 6 HE ARG 6 7.675 3.622 -7.306 47 HH11 ARG 6 HH11 ARG 6 6.232 6.276 -9.173 48 HH12 ARG 6 HH12 ARG 6 7.673 6.683 -9.970 49 HH21 ARG 6 HH21 ARG 6 9.624 4.149 -8.416 50 HH22 ARG 6 HH22 ARG 6 9.680 5.428 -9.545 51 H THR 7 H THR 7 6.446 5.098 -2.799 52 HA THR 7 HA THR 7 7.085 2.394 -2.553 53 HB THR 7 HB THR 7 8.771 3.196 -0.829 54 HG1 THR 7 HG1 THR 7 8.180 5.800 -1.681 55 HG21 THR 7 HG21 THR 7 9.300 2.959 -3.216 56 HG22 THR 7 HG22 THR 7 10.123 4.351 -2.515 57 HG23 THR 7 HG23 THR 7 8.687 4.586 -3.513 58 H GLU 8 H GLU 8 5.260 4.499 -0.434 59 HA GLU 8 HA GLU 8 5.221 2.923 1.907 60 HB2 GLU 8 HB2 GLU 8 3.112 4.750 0.746 61 HB3 GLU 8 HB1 GLU 8 3.109 4.125 2.386 62 HG2 GLU 8 HG2 GLU 8 5.232 5.900 1.215 63 HG3 GLU 8 HG1 GLU 8 3.906 6.444 2.240 64 H TYR 9 H TYR 9 3.254 3.001 -0.991 65 HA TYR 9 HA TYR 9 1.310 1.126 -0.296 66 HB2 TYR 9 HB2 TYR 9 0.800 2.612 -2.018 67 HB3 TYR 9 HB1 TYR 9 2.376 2.452 -2.745 68 HD1 TYR 9 HD1 TYR 9 2.792 0.972 -4.357 69 HD2 TYR 9 HD2 TYR 9 -0.882 0.804 -2.344 70 HE1 TYR 9 HE1 TYR 9 1.975 -0.617 -6.066 71 HE2 TYR 9 HE2 TYR 9 -1.761 -0.800 -4.026 72 HH TYR 9 HH TYR 9 -1.288 -1.447 -6.353 73 H GLU 10 H GLU 10 4.314 0.960 -2.116 74 HA GLU 10 HA GLU 10 4.262 -1.773 -2.740 75 HB2 GLU 10 HB2 GLU 10 5.680 -0.106 -3.854 76 HB3 GLU 10 HB1 GLU 10 6.630 0.051 -2.387 77 HG2 GLU 10 HG2 GLU 10 7.269 -2.299 -2.568 78 HG3 GLU 10 HG1 GLU 10 6.354 -2.414 -4.071 79 H ALA 11 H ALA 11 5.776 -0.015 -0.040 80 HA ALA 11 HA ALA 11 7.069 -2.173 1.175 81 HB1 ALA 11 HB1 ALA 11 5.964 0.315 2.482 82 HB2 ALA 11 HB2 ALA 11 7.536 0.186 1.698 83 HB3 ALA 11 HB3 ALA 11 7.201 -0.749 3.154 84 H CYS 12 H CYS 12 3.852 -0.875 1.541 85 HA CYS 12 HA CYS 12 3.040 -2.530 3.666 86 HB2 CYS 12 HB2 CYS 12 1.943 -0.407 2.945 87 HB3 CYS 12 HB1 CYS 12 1.376 -1.233 1.504 88 H ARG 13 H ARG 13 2.915 -2.902 0.137 89 HA ARG 13 HA ARG 13 1.427 -5.298 0.016 90 HB2 ARG 13 HB2 ARG 13 3.430 -4.071 -1.869 91 HB3 ARG 13 HB1 ARG 13 2.628 -5.591 -2.218 92 HG2 ARG 13 HG2 ARG 13 0.490 -4.523 -2.275 93 HG3 ARG 13 HG1 ARG 13 1.184 -3.005 -1.699 94 HD2 ARG 13 HD2 ARG 13 0.753 -3.033 -4.149 95 HD3 ARG 13 HD1 ARG 13 2.435 -2.734 -3.734 96 HE ARG 13 HE ARG 13 2.391 -5.395 -4.128 97 HH11 ARG 13 HH11 ARG 13 1.052 -2.800 -6.231 98 HH12 ARG 13 HH12 ARG 13 1.527 -3.586 -7.647 99 HH21 ARG 13 HH21 ARG 13 2.946 -6.410 -6.083 100 HH22 ARG 13 HH22 ARG 13 2.583 -5.693 -7.588 101 H VAL 14 H VAL 14 4.936 -4.755 -0.008 102 HA VAL 14 HA VAL 14 5.565 -7.521 -0.158 103 HB VAL 14 HB VAL 14 6.992 -5.646 -0.907 104 HG11 VAL 14 HG11 VAL 14 7.689 -5.300 1.976 105 HG12 VAL 14 HG12 VAL 14 6.848 -4.166 0.925 106 HG13 VAL 14 3HG1 VAL 14 8.542 -4.559 0.615 107 HG21 VAL 14 HG21 VAL 14 8.298 -7.695 0.873 108 HG22 VAL 14 HG22 VAL 14 9.154 -6.719 -0.319 109 HG23 VAL 14 HG23 VAL 14 7.921 -7.866 -0.842 110 H ARG 15 H ARG 15 5.052 -5.358 2.410 111 HA ARG 15 HA ARG 15 6.011 -6.849 4.611 112 HB2 ARG 15 HB2 ARG 15 5.024 -4.525 4.737 113 HB3 ARG 15 HB1 ARG 15 3.436 -5.256 4.577 114 HG2 ARG 15 HG2 ARG 15 3.942 -6.572 6.662 115 HG3 ARG 15 HG1 ARG 15 5.383 -5.569 6.846 116 HD2 ARG 15 HD2 ARG 15 3.640 -4.614 8.174 117 HD3 ARG 15 HD1 ARG 15 3.914 -3.565 6.781 118 HE ARG 15 HE ARG 15 1.779 -5.563 6.814 119 HH11 ARG 15 HH11 ARG 15 2.767 -2.167 6.437 120 HH12 ARG 15 HH12 ARG 15 1.242 -1.646 5.887 121 HH21 ARG 15 HH21 ARG 15 -0.324 -4.813 6.132 122 HH22 ARG 15 HH22 ARG 15 -0.562 -3.190 5.720 123 H CYS 16 H CYS 16 2.869 -6.868 2.986 124 HA CYS 16 HA CYS 16 1.842 -9.036 4.454 125 HB2 CYS 16 HB2 CYS 16 1.000 -7.772 1.870 126 HB3 CYS 16 HB1 CYS 16 0.146 -9.136 2.582 127 H GLN 17 H GLN 17 3.937 -8.914 1.720 128 HA GLN 17 HA GLN 17 3.425 -11.506 0.724 129 HB2 GLN 17 HB2 GLN 17 4.699 -9.708 -0.485 130 HB3 GLN 17 HB1 GLN 17 6.027 -9.944 0.630 131 HG2 GLN 17 HG2 GLN 17 5.006 -12.119 -1.200 132 HG3 GLN 17 HG1 GLN 17 6.255 -10.977 -1.665 133 HE21 GLN 17 1HE2 GLN 17 6.339 -13.876 -1.430 134 HE22 GLN 17 2HE2 GLN 17 7.634 -14.223 -0.347 135 H VAL 18 H VAL 18 5.612 -10.274 3.189 136 HA VAL 18 HA VAL 18 6.532 -12.967 3.699 137 HB VAL 18 HB VAL 18 8.193 -11.160 3.732 138 HG11 VAL 18 HG11 VAL 18 6.770 -10.124 6.165 139 HG12 VAL 18 HG12 VAL 18 6.891 -9.334 4.594 140 HG13 VAL 18 3HG1 VAL 18 8.337 -9.563 5.579 141 HG21 VAL 18 HG21 VAL 18 7.873 -12.510 6.411 142 HG22 VAL 18 HG22 VAL 18 9.356 -11.759 5.823 143 HG23 VAL 18 HG23 VAL 18 8.693 -13.168 4.996 144 H ALA 19 H ALA 19 4.439 -10.643 5.271 145 HA ALA 19 HA ALA 19 4.233 -12.238 7.670 146 HB1 ALA 19 HB1 ALA 19 4.214 -9.795 7.801 147 HB2 ALA 19 HB2 ALA 19 2.743 -10.493 8.483 148 HB3 ALA 19 HB3 ALA 19 2.713 -9.763 6.879 149 H GLU 20 H GLU 20 1.902 -11.214 5.175 150 HA GLU 20 HA GLU 20 -0.174 -12.881 6.258 151 HB2 GLU 20 HB2 GLU 20 -0.026 -11.439 3.602 152 HB3 GLU 20 HB1 GLU 20 -1.450 -12.197 4.303 153 HG2 GLU 20 HG2 GLU 20 0.027 -9.948 5.617 154 HG3 GLU 20 HG1 GLU 20 -1.327 -9.708 4.515 155 H HIS 21 H HIS 21 1.572 -12.799 3.192 156 HA HIS 21 HA HIS 21 2.170 -14.301 1.684 157 HB2 HIS 21 HB2 HIS 21 3.630 -15.016 3.510 158 HB3 HIS 21 HB1 HIS 21 2.381 -16.105 4.094 159 HD1 HIS 21 HD1 HIS 21 3.086 -18.416 3.582 160 HD2 HIS 21 HD2 HIS 21 4.078 -15.787 0.535 161 HE1 HIS 21 HE1 HIS 21 4.188 -19.809 1.800 162 H GLY 22 H GLY 22 0.453 -14.516 0.378 163 HA2 GLY 22 HA2 GLY 22 -0.628 -16.954 -0.154 164 HA3 GLY 22 HA1 GLY 22 -1.776 -16.208 0.961 165 H VAL 23 H VAL 23 -2.233 -16.848 -1.814 166 HA VAL 23 HA VAL 23 -1.851 -14.637 -3.496 167 HB VAL 23 HB VAL 23 -3.956 -16.804 -3.687 168 HG11 VAL 23 HG11 VAL 23 -4.584 -14.884 -5.044 169 HG12 VAL 23 HG12 VAL 23 -4.075 -16.221 -6.075 170 HG13 VAL 23 3HG1 VAL 23 -2.986 -14.865 -5.788 171 HG21 VAL 23 HG21 VAL 23 -2.410 -17.842 -5.291 172 HG22 VAL 23 HG22 VAL 23 -1.688 -17.686 -3.690 173 HG23 VAL 23 HG23 VAL 23 -1.237 -16.565 -4.974 174 H GLU 24 H GLU 24 -4.814 -15.640 -1.805 175 HA GLU 24 HA GLU 24 -6.234 -13.302 -2.561 176 HB2 GLU 24 HB2 GLU 24 -7.955 -13.984 -0.988 177 HB3 GLU 24 HB1 GLU 24 -7.403 -15.371 -1.910 178 HG2 GLU 24 HG2 GLU 24 -6.083 -16.125 -0.016 179 HG3 GLU 24 HG1 GLU 24 -6.559 -14.698 0.902 180 H ARG 25 H ARG 25 -3.982 -13.943 -0.120 181 HA ARG 25 HA ARG 25 -4.762 -11.840 1.693 182 HB2 ARG 25 HB2 ARG 25 -2.122 -13.315 1.531 183 HB3 ARG 25 HB1 ARG 25 -2.729 -12.353 2.874 184 HG2 ARG 25 HG2 ARG 25 -3.934 -14.930 1.882 185 HG3 ARG 25 HG1 ARG 25 -2.919 -14.752 3.315 186 HD2 ARG 25 HD2 ARG 25 -4.567 -13.307 4.336 187 HD3 ARG 25 HD1 ARG 25 -5.556 -13.363 2.876 188 HE ARG 25 HE ARG 25 -5.110 -15.958 3.773 189 HH11 ARG 25 HH11 ARG 25 -6.894 -13.062 4.752 190 HH12 ARG 25 HH12 ARG 25 -8.113 -13.920 5.580 191 HH21 ARG 25 HH21 ARG 25 -6.830 -17.137 4.873 192 HH22 ARG 25 HH22 ARG 25 -8.070 -16.276 5.627 193 H GLN 26 H GLN 26 -2.284 -12.368 -0.758 194 HA GLN 26 HA GLN 26 -0.965 -9.912 -0.547 195 HB2 GLN 26 HB2 GLN 26 -0.188 -11.998 -1.747 196 HB3 GLN 26 HB1 GLN 26 -1.332 -11.608 -3.012 197 HG2 GLN 26 HG2 GLN 26 0.892 -10.907 -3.647 198 HG3 GLN 26 HG1 GLN 26 -0.168 -9.514 -3.433 199 HE21 GLN 26 1HE2 GLN 26 0.230 -8.086 -1.797 200 HE22 GLN 26 2HE2 GLN 26 1.688 -8.122 -0.848 201 H ARG 27 H ARG 27 -3.561 -11.060 -2.659 202 HA ARG 27 HA ARG 27 -4.062 -8.734 -4.105 203 HB2 ARG 27 HB2 ARG 27 -5.023 -10.922 -4.658 204 HB3 ARG 27 HB1 ARG 27 -6.005 -10.864 -3.204 205 HG2 ARG 27 HG2 ARG 27 -7.193 -8.914 -4.096 206 HG3 ARG 27 HG1 ARG 27 -6.228 -9.009 -5.570 207 HD2 ARG 27 HD2 ARG 27 -8.068 -11.157 -4.519 208 HD3 ARG 27 HD1 ARG 27 -8.418 -10.067 -5.860 209 HE ARG 27 HE ARG 27 -6.441 -11.072 -6.962 210 HH11 ARG 27 HH11 ARG 27 -8.312 -12.969 -4.591 211 HH12 ARG 27 HH12 ARG 27 -7.870 -14.468 -5.239 212 HH21 ARG 27 HH21 ARG 27 -5.852 -13.158 -7.839 213 HH22 ARG 27 HH22 ARG 27 -6.460 -14.586 -7.160 214 H ARG 28 H ARG 28 -5.458 -9.845 -1.030 215 HA ARG 28 HA ARG 28 -7.236 -7.756 -0.581 216 HB2 ARG 28 HB2 ARG 28 -7.186 -9.789 0.805 217 HB3 ARG 28 HB1 ARG 28 -5.640 -9.293 1.478 218 HG2 ARG 28 HG2 ARG 28 -7.379 -8.791 3.064 219 HG3 ARG 28 HG1 ARG 28 -6.733 -7.283 2.420 220 HD2 ARG 28 HD2 ARG 28 -9.143 -7.136 2.519 221 HD3 ARG 28 HD1 ARG 28 -8.635 -7.187 0.835 222 HE ARG 28 HE ARG 28 -9.159 -9.786 1.725 223 HH11 ARG 28 HH11 ARG 28 -10.863 -6.847 0.789 224 HH12 ARG 28 HH12 ARG 28 -12.347 -7.631 0.493 225 HH21 ARG 28 HH21 ARG 28 -11.167 -10.870 1.286 226 HH22 ARG 28 HH22 ARG 28 -12.515 -9.980 0.762 227 H CYS 29 H CYS 29 -3.895 -8.124 0.625 228 HA CYS 29 HA CYS 29 -3.749 -5.603 1.765 229 HB2 CYS 29 HB2 CYS 29 -1.649 -7.500 0.807 230 HB3 CYS 29 HB1 CYS 29 -1.243 -5.931 1.489 231 H GLN 30 H GLN 30 -3.121 -6.634 -1.530 232 HA GLN 30 HA GLN 30 -1.856 -4.307 -2.369 233 HB2 GLN 30 HB2 GLN 30 -1.884 -6.318 -3.709 234 HB3 GLN 30 HB1 GLN 30 -3.626 -6.220 -3.878 235 HG2 GLN 30 HG2 GLN 30 -3.461 -4.288 -5.246 236 HG3 GLN 30 HG1 GLN 30 -1.732 -4.145 -4.926 237 HE21 GLN 30 1HE2 GLN 30 -4.179 -5.940 -6.586 238 HE22 GLN 30 2HE2 GLN 30 -3.112 -6.772 -7.653 239 H GLN 31 H GLN 31 -5.302 -5.098 -2.234 240 HA GLN 31 HA GLN 31 -6.160 -2.590 -3.285 241 HB2 GLN 31 HB2 GLN 31 -7.543 -4.650 -3.331 242 HB3 GLN 31 HB1 GLN 31 -7.689 -4.564 -1.582 243 HG2 GLN 31 HG2 GLN 31 -8.794 -2.362 -1.832 244 HG3 GLN 31 HG1 GLN 31 -8.745 -2.579 -3.582 245 HE21 GLN 31 1HE2 GLN 31 -11.023 -2.284 -1.804 246 HE22 GLN 31 2HE2 GLN 31 -12.000 -3.678 -2.054 247 H VAL 32 H VAL 32 -5.865 -3.910 -0.010 248 HA VAL 32 HA VAL 32 -6.923 -1.660 1.334 249 HB VAL 32 HB VAL 32 -5.067 -3.822 2.387 250 HG11 VAL 32 HG11 VAL 32 -6.727 -1.828 3.938 251 HG12 VAL 32 HG12 VAL 32 -4.968 -1.826 3.821 252 HG13 VAL 32 3HG1 VAL 32 -5.796 -3.156 4.630 253 HG21 VAL 32 HG21 VAL 32 -7.122 -4.776 3.324 254 HG22 VAL 32 HG22 VAL 32 -7.197 -4.660 1.568 255 HG23 VAL 32 HG23 VAL 32 -8.057 -3.488 2.564 256 H CYS 33 H CYS 33 -3.581 -2.547 0.578 257 HA CYS 33 HA CYS 33 -2.515 -0.259 1.854 258 HB2 CYS 33 HB2 CYS 33 -1.257 -2.064 -0.213 259 HB3 CYS 33 HB1 CYS 33 -0.406 -0.863 0.758 260 H GLU 34 H GLU 34 -3.948 -0.803 -1.221 261 HA GLU 34 HA GLU 34 -2.835 1.556 -2.402 262 HB2 GLU 34 HB2 GLU 34 -3.696 -0.463 -3.689 263 HB3 GLU 34 HB1 GLU 34 -5.308 0.033 -3.226 264 HG2 GLU 34 HG2 GLU 34 -5.175 2.017 -4.502 265 HG3 GLU 34 HG1 GLU 34 -3.445 1.799 -4.775 266 H LYS 35 H LYS 35 -5.648 0.669 -0.545 267 HA LYS 35 HA LYS 35 -7.033 3.146 -0.722 268 HB2 LYS 35 HB2 LYS 35 -7.473 0.666 0.503 269 HB3 LYS 35 HB1 LYS 35 -7.285 1.764 1.855 270 HG2 LYS 35 HG2 LYS 35 -9.275 2.096 -0.394 271 HG3 LYS 35 HG1 LYS 35 -9.636 1.430 1.190 272 HD2 LYS 35 HD2 LYS 35 -8.607 4.229 0.712 273 HD3 LYS 35 HD1 LYS 35 -10.314 3.811 0.871 274 HE2 LYS 35 HE2 LYS 35 -9.839 2.922 3.131 275 HE3 LYS 35 HE1 LYS 35 -8.163 3.434 2.941 276 HZ1 LYS 35 HZ1 LYS 35 -10.519 5.250 2.912 277 HZ2 LYS 35 HZ2 LYS 35 -8.915 5.742 2.798 278 HZ3 LYS 35 HZ3 LYS 35 -9.489 5.011 4.208 279 H ARG 36 H ARG 36 -4.591 1.804 1.405 280 HA ARG 36 HA ARG 36 -4.250 3.983 3.153 281 HB2 ARG 36 HB2 ARG 36 -2.315 1.832 2.293 282 HB3 ARG 36 HB1 ARG 36 -1.957 3.004 3.551 283 HG2 ARG 36 HG2 ARG 36 -3.782 2.173 4.907 284 HG3 ARG 36 HG1 ARG 36 -4.273 1.083 3.614 285 HD2 ARG 36 HD2 ARG 36 -3.030 -0.026 5.415 286 HD3 ARG 36 HD1 ARG 36 -2.242 -0.180 3.848 287 HE ARG 36 HE ARG 36 -0.889 1.852 4.762 288 HH11 ARG 36 HH11 ARG 36 -1.929 -0.977 6.606 289 HH12 ARG 36 HH12 ARG 36 -0.631 -0.930 7.701 290 HH21 ARG 36 HH21 ARG 36 0.939 1.876 6.166 291 HH22 ARG 36 HH22 ARG 36 1.076 0.766 7.448 292 H LEU 37 H LEU 37 -2.683 3.173 0.115 293 HA LEU 37 HA LEU 37 -0.932 5.360 -0.025 294 HB2 LEU 37 HB2 LEU 37 -0.829 3.269 -1.367 295 HB3 LEU 37 HB1 LEU 37 -2.235 3.776 -2.241 296 HG LEU 37 HG LEU 37 0.007 4.008 -3.443 297 HD11 LEU 37 HD11 LEU 37 -1.740 6.439 -3.264 298 HD12 LEU 37 HD12 LEU 37 -1.972 5.024 -4.298 299 HD13 LEU 37 HD13 LEU 37 -0.578 6.077 -4.550 300 HD21 LEU 37 HD21 LEU 37 1.292 6.049 -3.001 301 HD22 LEU 37 HD22 LEU 37 1.308 4.957 -1.616 302 HD23 LEU 37 HD23 LEU 37 0.273 6.385 -1.603 303 H ARG 38 H ARG 38 -4.242 4.885 -1.057 304 HA ARG 38 HA ARG 38 -4.654 7.343 -2.334 305 HB2 ARG 38 HB2 ARG 38 -6.133 5.346 -2.505 306 HB3 ARG 38 HB1 ARG 38 -6.664 5.631 -0.858 307 HG2 ARG 38 HG2 ARG 38 -7.679 7.726 -1.518 308 HG3 ARG 38 HG1 ARG 38 -7.071 7.522 -3.162 309 HD2 ARG 38 HD2 ARG 38 -8.370 5.445 -3.364 310 HD3 ARG 38 HD1 ARG 38 -9.021 5.697 -1.755 311 HE ARG 38 HE ARG 38 -9.530 7.993 -3.216 312 HH11 ARG 38 HH11 ARG 38 -10.532 4.591 -3.283 313 HH12 ARG 38 HH12 ARG 38 -12.023 4.922 -4.034 314 HH21 ARG 38 HH21 ARG 38 -11.536 8.416 -4.221 315 HH22 ARG 38 HH22 ARG 38 -12.610 7.121 -4.586 316 H GLU 39 H GLU 39 -4.701 6.427 1.036 317 HA GLU 39 HA GLU 39 -5.705 8.940 2.002 318 HB2 GLU 39 HB2 GLU 39 -4.009 6.888 3.439 319 HB3 GLU 39 HB1 GLU 39 -4.880 8.209 4.193 320 HG2 GLU 39 HG2 GLU 39 -6.076 5.840 2.782 321 HG3 GLU 39 HG1 GLU 39 -6.040 6.127 4.520 322 H ARG 40 H ARG 40 -2.547 7.440 1.698 323 HA ARG 40 HA ARG 40 -0.859 9.383 2.737 324 HB2 ARG 40 HB2 ARG 40 -0.023 7.180 2.143 325 HB3 ARG 40 HB1 ARG 40 -0.427 7.440 0.456 326 HG2 ARG 40 HG2 ARG 40 1.947 7.616 0.747 327 HG3 ARG 40 HG1 ARG 40 1.294 9.199 0.343 328 HD2 ARG 40 HD2 ARG 40 2.886 9.543 2.064 329 HD3 ARG 40 HD1 ARG 40 1.306 9.692 2.830 330 HE ARG 40 HE ARG 40 2.358 7.048 2.962 331 HH11 ARG 40 HH11 ARG 40 2.240 10.169 4.671 332 HH12 ARG 40 HH12 ARG 40 3.005 9.561 6.057 333 HH21 ARG 40 HH21 ARG 40 3.527 6.277 4.887 334 HH22 ARG 40 HH22 ARG 40 3.744 7.377 6.175 335 H GLU 41 H GLU 41 -1.918 8.973 -0.590 336 HA GLU 41 HA GLU 41 -0.701 11.412 -1.430 337 HB2 GLU 41 HB2 GLU 41 -2.444 9.398 -2.805 338 HB3 GLU 41 HB1 GLU 41 -1.947 10.893 -3.586 339 HG2 GLU 41 HG2 GLU 41 -0.049 8.861 -2.443 340 HG3 GLU 41 HG1 GLU 41 -0.508 8.962 -4.145 341 H GLY 42 H GLY 42 -4.013 10.374 -0.697 342 HA2 GLY 42 HA2 GLY 42 -5.335 12.624 -1.726 343 HA3 GLY 42 HA1 GLY 42 -5.961 11.514 -0.518 344 H ARG 43 H ARG 43 -3.800 12.103 1.356 345 HA ARG 43 HA ARG 43 -4.940 14.363 2.642 346 HB2 ARG 43 HB2 ARG 43 -3.896 12.471 3.850 347 HB3 ARG 43 HB1 ARG 43 -2.331 12.951 3.218 348 HG2 ARG 43 HG2 ARG 43 -2.464 15.054 4.435 349 HG3 ARG 43 HG1 ARG 43 -4.058 14.605 5.048 350 HD2 ARG 43 HD2 ARG 43 -3.078 12.648 6.122 351 HD3 ARG 43 HD1 ARG 43 -1.481 13.132 5.548 352 HE ARG 43 HE ARG 43 -2.341 15.293 6.898 353 HH11 ARG 43 HH11 ARG 43 -2.030 11.874 7.761 354 HH12 ARG 43 HH12 ARG 43 -1.820 12.183 9.430 355 HH21 ARG 43 HH21 ARG 43 -2.035 15.691 9.190 356 HH22 ARG 43 HH22 ARG 43 -1.807 14.364 10.240 357 H ARG 44 H ARG 44 -2.438 13.947 0.358 358 HA ARG 44 HA ARG 44 -1.267 16.561 0.876 359 HB2 ARG 44 HB2 ARG 44 -0.550 14.396 -1.096 360 HB3 ARG 44 HB1 ARG 44 0.293 15.929 -0.966 361 HG2 ARG 44 HG2 ARG 44 0.084 13.864 1.206 362 HG3 ARG 44 HG1 ARG 44 1.472 14.110 0.143 363 HD2 ARG 44 HD2 ARG 44 1.776 16.347 1.008 364 HD3 ARG 44 HD1 ARG 44 0.349 16.174 2.031 365 HE ARG 44 HE ARG 44 1.937 14.089 2.703 366 HH11 ARG 44 HH11 ARG 44 2.448 17.577 2.592 367 HH12 ARG 44 HH12 ARG 44 3.469 17.619 3.957 368 HH21 ARG 44 HH21 ARG 44 3.340 14.111 4.542 369 HH22 ARG 44 HH22 ARG 44 3.970 15.587 5.099 370 H GLU 45 H GLU 45 -2.534 14.777 -1.927 371 HA GLU 45 HA GLU 45 -3.585 17.307 -2.960 372 HB2 GLU 45 HB2 GLU 45 -2.157 15.136 -4.496 373 HB3 GLU 45 HB1 GLU 45 -2.995 16.484 -5.231 374 HG2 GLU 45 HG2 GLU 45 -0.595 16.709 -3.423 375 HG3 GLU 45 HG1 GLU 45 -0.560 16.772 -5.184 376 H VAL 46 H VAL 46 -5.582 17.092 -3.881 377 HA VAL 46 HA VAL 46 -6.841 14.468 -3.694 378 HB VAL 46 HB VAL 46 -8.988 15.649 -4.207 379 HG11 VAL 46 HG11 VAL 46 -7.424 16.783 -1.895 380 HG12 VAL 46 HG12 VAL 46 -8.353 15.286 -1.901 381 HG13 VAL 46 3HG1 VAL 46 -9.176 16.837 -2.064 382 HG21 VAL 46 HG21 VAL 46 -9.051 18.113 -4.141 383 HG22 VAL 46 HG22 VAL 46 -8.116 17.513 -5.510 384 HG23 VAL 46 HG23 VAL 46 -7.287 18.147 -4.088 385 H ASP 47 H ASP 47 -5.018 15.925 -5.761 386 HA ASP 47 HA ASP 47 -6.392 15.464 -8.259 387 HB2 ASP 47 HB2 ASP 47 -4.746 17.316 -7.986 388 HB3 ASP 47 HB1 ASP 47 -3.485 16.118 -7.726 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 6.386 10.855 9.319 2 H3 PRO 1 HT2 PRO 1 6.141 11.976 10.457 3 HA PRO 1 HA PRO 1 7.916 13.031 10.180 4 HB2 PRO 1 HB2 PRO 1 9.672 11.126 8.922 5 HB3 PRO 1 HB1 PRO 1 9.909 12.048 10.410 6 HG2 PRO 1 HG2 PRO 1 9.008 9.294 10.110 7 HG3 PRO 1 HG1 PRO 1 9.506 10.153 11.573 8 HD2 PRO 1 HD2 PRO 1 6.915 9.383 11.045 9 HD3 PRO 1 HD1 PRO 1 7.346 10.721 12.115 10 H ARG 2 H ARG 2 7.770 10.461 7.620 11 HA ARG 2 HA ARG 2 7.411 12.663 5.726 12 HB2 ARG 2 HB2 ARG 2 8.843 10.046 5.286 13 HB3 ARG 2 HB1 ARG 2 8.477 11.198 4.017 14 HG2 ARG 2 HG2 ARG 2 9.885 12.860 5.106 15 HG3 ARG 2 HG1 ARG 2 10.236 11.718 6.404 16 HD2 ARG 2 HD2 ARG 2 10.891 11.335 3.489 17 HD3 ARG 2 HD1 ARG 2 12.040 11.791 4.739 18 HE ARG 2 HE ARG 2 10.573 9.312 5.129 19 HH11 ARG 2 HH11 ARG 2 13.660 10.845 4.291 20 HH12 ARG 2 HH12 ARG 2 14.522 9.369 4.279 21 HH21 ARG 2 HH21 ARG 2 11.781 7.311 5.113 22 HH22 ARG 2 HH22 ARG 2 13.442 7.339 4.785 23 H GLY 3 H GLY 3 6.179 12.105 3.803 24 HA2 GLY 3 HA2 GLY 3 4.331 9.872 4.259 25 HA3 GLY 3 HA1 GLY 3 3.753 11.452 3.739 26 H SER 4 H SER 4 6.309 9.175 2.802 27 HA SER 4 HA SER 4 6.075 9.879 0.052 28 HB2 SER 4 HB2 SER 4 7.488 7.528 1.323 29 HB3 SER 4 HB1 SER 4 7.799 8.225 -0.269 30 HG SER 4 HG SER 4 8.045 10.243 1.225 31 HA PRO 5 HA PRO 5 2.622 7.169 -0.553 32 HB2 PRO 5 HB2 PRO 5 2.487 7.320 -3.275 33 HB3 PRO 5 HB1 PRO 5 1.856 8.556 -2.185 34 HG2 PRO 5 HG2 PRO 5 4.419 8.505 -3.712 35 HG3 PRO 5 HG1 PRO 5 3.331 9.866 -3.393 36 HD2 PRO 5 HD2 PRO 5 5.642 9.467 -2.017 37 HD3 PRO 5 HD1 PRO 5 4.218 10.251 -1.311 38 H ARG 6 H ARG 6 5.356 6.666 -2.845 39 HA ARG 6 HA ARG 6 4.443 4.079 -3.531 40 HB2 ARG 6 HB2 ARG 6 7.101 5.376 -4.022 41 HB3 ARG 6 HB1 ARG 6 6.711 3.766 -4.580 42 HG2 ARG 6 HG2 ARG 6 4.796 4.716 -5.831 43 HG3 ARG 6 HG1 ARG 6 5.344 6.327 -5.355 44 HD2 ARG 6 HD2 ARG 6 6.147 5.770 -7.582 45 HD3 ARG 6 HD1 ARG 6 7.488 5.912 -6.451 46 HE ARG 6 HE ARG 6 6.853 3.264 -6.448 47 HH11 ARG 6 HH11 ARG 6 7.789 5.587 -8.946 48 HH12 ARG 6 HH12 ARG 6 8.564 4.452 -9.938 49 HH21 ARG 6 HH21 ARG 6 7.955 1.686 -7.779 50 HH22 ARG 6 HH22 ARG 6 8.672 2.156 -9.241 51 H THR 7 H THR 7 6.711 5.132 -1.085 52 HA THR 7 HA THR 7 7.876 2.599 -0.720 53 HB THR 7 HB THR 7 8.659 3.616 1.446 54 HG1 THR 7 HG1 THR 7 7.749 5.370 2.077 55 HG21 THR 7 HG21 THR 7 9.078 5.224 -1.081 56 HG22 THR 7 HG22 THR 7 9.986 3.789 -0.604 57 HG23 THR 7 HG23 THR 7 10.117 5.271 0.344 58 H GLU 8 H GLU 8 5.393 4.362 1.107 59 HA GLU 8 HA GLU 8 4.870 2.370 3.015 60 HB2 GLU 8 HB2 GLU 8 3.118 4.565 1.952 61 HB3 GLU 8 HB1 GLU 8 2.711 3.577 3.344 62 HG2 GLU 8 HG2 GLU 8 5.131 5.364 3.116 63 HG3 GLU 8 HG1 GLU 8 3.659 5.730 4.019 64 H TYR 9 H TYR 9 3.523 2.956 -0.186 65 HA TYR 9 HA TYR 9 1.401 1.184 -0.021 66 HB2 TYR 9 HB2 TYR 9 1.323 2.849 -1.645 67 HB3 TYR 9 HB1 TYR 9 2.968 2.546 -2.176 68 HD1 TYR 9 HD1 TYR 9 3.421 1.072 -3.777 69 HD2 TYR 9 HD2 TYR 9 -0.429 1.263 -2.209 70 HE1 TYR 9 HE1 TYR 9 2.668 -0.412 -5.632 71 HE2 TYR 9 HE2 TYR 9 -1.286 -0.200 -4.017 72 HH TYR 9 HH TYR 9 -0.736 -0.882 -6.211 73 H GLU 10 H GLU 10 4.671 0.899 -1.389 74 HA GLU 10 HA GLU 10 4.320 -1.773 -2.227 75 HB2 GLU 10 HB2 GLU 10 5.942 -0.117 -3.193 76 HB3 GLU 10 HB1 GLU 10 6.923 -0.314 -1.750 77 HG2 GLU 10 HG2 GLU 10 7.762 -1.627 -3.622 78 HG3 GLU 10 HG1 GLU 10 7.258 -2.661 -2.278 79 H ALA 11 H ALA 11 5.573 -0.275 0.698 80 HA ALA 11 HA ALA 11 6.749 -2.480 1.892 81 HB1 ALA 11 HB1 ALA 11 5.241 -0.261 3.263 82 HB2 ALA 11 HB2 ALA 11 6.931 -0.194 2.774 83 HB3 ALA 11 HB3 ALA 11 6.417 -1.337 4.017 84 H CYS 12 H CYS 12 3.401 -1.392 1.978 85 HA CYS 12 HA CYS 12 2.378 -3.304 3.720 86 HB2 CYS 12 HB2 CYS 12 1.048 -1.399 3.104 87 HB3 CYS 12 HB1 CYS 12 1.066 -1.872 1.408 88 H ARG 13 H ARG 13 2.942 -3.485 0.239 89 HA ARG 13 HA ARG 13 1.485 -5.905 -0.089 90 HB2 ARG 13 HB2 ARG 13 3.605 -4.815 -1.936 91 HB3 ARG 13 HB1 ARG 13 2.376 -6.007 -2.327 92 HG2 ARG 13 HG2 ARG 13 0.696 -4.167 -1.722 93 HG3 ARG 13 HG1 ARG 13 2.069 -3.072 -1.863 94 HD2 ARG 13 HD2 ARG 13 0.987 -4.913 -3.984 95 HD3 ARG 13 HD1 ARG 13 0.867 -3.162 -3.947 96 HE ARG 13 HE ARG 13 3.542 -3.597 -3.941 97 HH11 ARG 13 HH11 ARG 13 0.972 -4.982 -5.961 98 HH12 ARG 13 HH12 ARG 13 1.908 -4.956 -7.380 99 HH21 ARG 13 HH21 ARG 13 4.773 -3.528 -5.844 100 HH22 ARG 13 HH22 ARG 13 4.147 -4.138 -7.322 101 H VAL 14 H VAL 14 4.913 -5.144 0.198 102 HA VAL 14 HA VAL 14 5.770 -7.842 -0.029 103 HB VAL 14 HB VAL 14 7.208 -5.513 1.283 104 HG11 VAL 14 HG11 VAL 14 8.290 -8.131 0.226 105 HG12 VAL 14 HG12 VAL 14 8.167 -7.673 1.924 106 HG13 VAL 14 3HG1 VAL 14 9.260 -6.796 0.851 107 HG21 VAL 14 HG21 VAL 14 6.639 -5.025 -1.019 108 HG22 VAL 14 HG22 VAL 14 7.336 -6.562 -1.534 109 HG23 VAL 14 HG23 VAL 14 8.375 -5.305 -0.861 110 H ARG 15 H ARG 15 4.909 -5.783 2.698 111 HA ARG 15 HA ARG 15 5.684 -7.396 4.825 112 HB2 ARG 15 HB2 ARG 15 4.600 -5.002 4.777 113 HB3 ARG 15 HB1 ARG 15 3.081 -5.866 4.819 114 HG2 ARG 15 HG2 ARG 15 5.233 -6.113 6.921 115 HG3 ARG 15 HG1 ARG 15 3.862 -5.020 7.029 116 HD2 ARG 15 HD2 ARG 15 3.702 -8.032 6.858 117 HD3 ARG 15 HD1 ARG 15 3.568 -7.085 8.338 118 HE ARG 15 HE ARG 15 1.681 -6.262 6.370 119 HH11 ARG 15 HH11 ARG 15 2.251 -8.675 8.894 120 HH12 ARG 15 HH12 ARG 15 0.616 -9.038 9.135 121 HH21 ARG 15 HH21 ARG 15 -0.566 -6.723 6.691 122 HH22 ARG 15 HH22 ARG 15 -1.069 -7.858 7.850 123 H CYS 16 H CYS 16 2.586 -7.307 3.080 124 HA CYS 16 HA CYS 16 1.661 -9.594 4.468 125 HB2 CYS 16 HB2 CYS 16 0.559 -8.163 2.061 126 HB3 CYS 16 HB1 CYS 16 -0.241 -9.533 2.835 127 H GLN 17 H GLN 17 3.489 -9.186 1.575 128 HA GLN 17 HA GLN 17 2.907 -11.702 0.450 129 HB2 GLN 17 HB2 GLN 17 3.919 -9.829 -0.817 130 HB3 GLN 17 HB1 GLN 17 5.393 -10.011 0.121 131 HG2 GLN 17 HG2 GLN 17 5.742 -12.214 -0.791 132 HG3 GLN 17 HG1 GLN 17 4.224 -12.113 -1.683 133 HE21 GLN 17 1HE2 GLN 17 4.699 -9.282 -2.400 134 HE22 GLN 17 2HE2 GLN 17 5.895 -9.329 -3.623 135 H VAL 18 H VAL 18 5.320 -10.600 2.767 136 HA VAL 18 HA VAL 18 6.343 -13.312 2.929 137 HB VAL 18 HB VAL 18 8.019 -11.525 2.822 138 HG11 VAL 18 HG11 VAL 18 8.433 -10.019 4.716 139 HG12 VAL 18 HG12 VAL 18 6.932 -10.579 5.461 140 HG13 VAL 18 3HG1 VAL 18 6.885 -9.720 3.924 141 HG21 VAL 18 HG21 VAL 18 8.654 -13.589 3.926 142 HG22 VAL 18 HG22 VAL 18 8.041 -12.981 5.463 143 HG23 VAL 18 HG23 VAL 18 9.443 -12.219 4.711 144 H ALA 19 H ALA 19 4.644 -11.010 5.058 145 HA ALA 19 HA ALA 19 4.829 -12.783 7.288 146 HB1 ALA 19 HB1 ALA 19 3.066 -10.364 6.971 147 HB2 ALA 19 HB2 ALA 19 4.714 -10.349 7.598 148 HB3 ALA 19 HB3 ALA 19 3.441 -11.197 8.478 149 H GLU 20 H GLU 20 2.219 -11.885 5.084 150 HA GLU 20 HA GLU 20 0.411 -13.734 6.354 151 HB2 GLU 20 HB2 GLU 20 0.145 -12.267 3.711 152 HB3 GLU 20 HB1 GLU 20 -1.140 -13.136 4.528 153 HG2 GLU 20 HG2 GLU 20 0.253 -10.682 5.585 154 HG3 GLU 20 HG1 GLU 20 -1.307 -10.680 4.787 155 H HIS 21 H HIS 21 1.999 -13.414 3.229 156 HA HIS 21 HA HIS 21 2.684 -14.830 1.651 157 HB2 HIS 21 HB2 HIS 21 4.026 -15.923 3.441 158 HB3 HIS 21 HB1 HIS 21 2.647 -16.938 3.842 159 HD1 HIS 21 HD1 HIS 21 2.366 -19.094 2.467 160 HD2 HIS 21 HD2 HIS 21 5.270 -16.534 0.974 161 HE1 HIS 21 HE1 HIS 21 3.552 -20.372 0.666 162 H GLY 22 H GLY 22 0.934 -14.635 0.414 163 HA2 GLY 22 HA2 GLY 22 -0.422 -16.765 -0.456 164 HA3 GLY 22 HA1 GLY 22 -1.431 -16.173 0.866 165 H VAL 23 H VAL 23 -1.305 -16.130 -2.260 166 HA VAL 23 HA VAL 23 -1.178 -13.544 -3.225 167 HB VAL 23 HB VAL 23 -3.047 -15.722 -4.214 168 HG11 VAL 23 HG11 VAL 23 -3.636 -13.551 -5.133 169 HG12 VAL 23 HG12 VAL 23 -2.919 -14.576 -6.378 170 HG13 VAL 23 3HG1 VAL 23 -1.966 -13.293 -5.635 171 HG21 VAL 23 HG21 VAL 23 -1.265 -16.261 -5.805 172 HG22 VAL 23 HG22 VAL 23 -0.737 -16.487 -4.137 173 HG23 VAL 23 HG23 VAL 23 -0.223 -15.064 -5.038 174 H GLU 24 H GLU 24 -3.962 -15.218 -1.838 175 HA GLU 24 HA GLU 24 -5.866 -13.264 -2.368 176 HB2 GLU 24 HB2 GLU 24 -7.238 -14.262 -0.582 177 HB3 GLU 24 HB1 GLU 24 -6.542 -15.488 -1.626 178 HG2 GLU 24 HG2 GLU 24 -4.910 -16.048 0.063 179 HG3 GLU 24 HG1 GLU 24 -5.453 -14.708 1.065 180 H ARG 25 H ARG 25 -3.851 -13.634 0.542 181 HA ARG 25 HA ARG 25 -4.998 -11.306 1.728 182 HB2 ARG 25 HB2 ARG 25 -2.606 -12.934 2.554 183 HB3 ARG 25 HB1 ARG 25 -3.184 -11.538 3.450 184 HG2 ARG 25 HG2 ARG 25 -5.383 -12.699 3.694 185 HG3 ARG 25 HG1 ARG 25 -4.639 -14.126 2.971 186 HD2 ARG 25 HD2 ARG 25 -2.987 -14.188 4.755 187 HD3 ARG 25 HD1 ARG 25 -3.672 -12.725 5.451 188 HE ARG 25 HE ARG 25 -5.370 -15.060 5.141 189 HH11 ARG 25 HH11 ARG 25 -3.594 -12.846 7.305 190 HH12 ARG 25 HH12 ARG 25 -4.311 -13.450 8.727 191 HH21 ARG 25 HH21 ARG 25 -6.366 -15.854 7.108 192 HH22 ARG 25 HH22 ARG 25 -5.958 -15.189 8.616 193 H GLN 26 H GLN 26 -2.114 -11.973 -0.095 194 HA GLN 26 HA GLN 26 -0.819 -9.508 0.207 195 HB2 GLN 26 HB2 GLN 26 0.342 -11.315 -0.814 196 HB3 GLN 26 HB1 GLN 26 -0.908 -11.534 -2.021 197 HG2 GLN 26 HG2 GLN 26 -0.239 -9.461 -3.107 198 HG3 GLN 26 HG1 GLN 26 0.976 -9.187 -1.858 199 HE21 GLN 26 1HE2 GLN 26 2.580 -9.180 -3.540 200 HE22 GLN 26 2HE2 GLN 26 3.125 -10.666 -4.206 201 H ARG 27 H ARG 27 -3.269 -10.583 -2.095 202 HA ARG 27 HA ARG 27 -3.522 -8.152 -3.494 203 HB2 ARG 27 HB2 ARG 27 -4.292 -10.392 -4.283 204 HB3 ARG 27 HB1 ARG 27 -5.581 -10.318 -3.097 205 HG2 ARG 27 HG2 ARG 27 -6.488 -8.342 -4.200 206 HG3 ARG 27 HG1 ARG 27 -5.202 -8.431 -5.408 207 HD2 ARG 27 HD2 ARG 27 -5.966 -10.690 -6.012 208 HD3 ARG 27 HD1 ARG 27 -7.285 -10.530 -4.862 209 HE ARG 27 HE ARG 27 -7.188 -8.452 -6.830 210 HH11 ARG 27 HH11 ARG 27 -8.417 -11.711 -6.115 211 HH12 ARG 27 HH12 ARG 27 -9.674 -11.633 -7.252 212 HH21 ARG 27 HH21 ARG 27 -8.925 -8.365 -8.419 213 HH22 ARG 27 HH22 ARG 27 -9.952 -9.722 -8.584 214 H ARG 28 H ARG 28 -5.296 -9.562 -0.765 215 HA ARG 28 HA ARG 28 -7.196 -7.546 -0.369 216 HB2 ARG 28 HB2 ARG 28 -5.865 -9.342 1.656 217 HB3 ARG 28 HB1 ARG 28 -7.191 -8.275 2.060 218 HG2 ARG 28 HG2 ARG 28 -7.290 -10.522 0.063 219 HG3 ARG 28 HG1 ARG 28 -7.937 -10.565 1.703 220 HD2 ARG 28 HD2 ARG 28 -9.480 -8.767 1.151 221 HD3 ARG 28 HD1 ARG 28 -8.816 -8.676 -0.479 222 HE ARG 28 HE ARG 28 -9.559 -11.243 -0.218 223 HH11 ARG 28 HH11 ARG 28 -11.253 -8.184 0.206 224 HH12 ARG 28 HH12 ARG 28 -12.756 -8.783 -0.329 225 HH21 ARG 28 HH21 ARG 28 -11.582 -12.068 -0.922 226 HH22 ARG 28 HH22 ARG 28 -12.960 -11.062 -0.971 227 H CYS 29 H CYS 29 -3.966 -7.834 1.052 228 HA CYS 29 HA CYS 29 -4.038 -5.445 2.464 229 HB2 CYS 29 HB2 CYS 29 -1.750 -7.080 1.358 230 HB3 CYS 29 HB1 CYS 29 -1.502 -5.639 2.341 231 H GLN 30 H GLN 30 -2.790 -6.162 -0.829 232 HA GLN 30 HA GLN 30 -1.910 -3.580 -1.365 233 HB2 GLN 30 HB2 GLN 30 -1.235 -5.383 -2.819 234 HB3 GLN 30 HB1 GLN 30 -2.905 -5.684 -3.292 235 HG2 GLN 30 HG2 GLN 30 -3.017 -3.525 -4.396 236 HG3 GLN 30 HG1 GLN 30 -1.387 -3.141 -3.865 237 HE21 GLN 30 1HE2 GLN 30 -2.591 -3.349 -6.533 238 HE22 GLN 30 2HE2 GLN 30 -1.590 -4.464 -7.391 239 H GLN 31 H GLN 31 -5.073 -5.039 -1.972 240 HA GLN 31 HA GLN 31 -6.294 -3.029 -3.420 241 HB2 GLN 31 HB2 GLN 31 -7.258 -5.267 -2.855 242 HB3 GLN 31 HB1 GLN 31 -7.596 -4.659 -1.243 243 HG2 GLN 31 HG2 GLN 31 -9.015 -2.894 -2.270 244 HG3 GLN 31 HG1 GLN 31 -8.779 -3.681 -3.830 245 HE21 GLN 31 1HE2 GLN 31 -11.214 -3.257 -2.384 246 HE22 GLN 31 2HE2 GLN 31 -11.912 -4.812 -2.108 247 H VAL 32 H VAL 32 -6.227 -3.420 0.094 248 HA VAL 32 HA VAL 32 -7.619 -0.992 0.597 249 HB VAL 32 HB VAL 32 -6.045 -2.775 2.473 250 HG11 VAL 32 HG11 VAL 32 -7.921 -0.496 3.115 251 HG12 VAL 32 HG12 VAL 32 -6.175 -0.505 3.381 252 HG13 VAL 32 3HG1 VAL 32 -7.213 -1.614 4.281 253 HG21 VAL 32 HG21 VAL 32 -8.244 -3.522 3.187 254 HG22 VAL 32 HG22 VAL 32 -7.993 -3.818 1.463 255 HG23 VAL 32 HG23 VAL 32 -9.000 -2.469 1.991 256 H CYS 33 H CYS 33 -4.190 -1.919 0.920 257 HA CYS 33 HA CYS 33 -3.374 0.597 1.852 258 HB2 CYS 33 HB2 CYS 33 -1.790 -1.577 0.479 259 HB3 CYS 33 HB1 CYS 33 -1.066 -0.174 1.260 260 H GLU 34 H GLU 34 -3.859 -0.581 -1.420 261 HA GLU 34 HA GLU 34 -2.634 1.684 -2.641 262 HB2 GLU 34 HB2 GLU 34 -3.082 -0.607 -3.764 263 HB3 GLU 34 HB1 GLU 34 -4.737 -0.087 -3.845 264 HG2 GLU 34 HG2 GLU 34 -4.272 1.728 -5.272 265 HG3 GLU 34 HG1 GLU 34 -2.535 1.547 -5.046 266 H LYS 35 H LYS 35 -5.939 0.763 -1.650 267 HA LYS 35 HA LYS 35 -7.252 2.872 -2.824 268 HB2 LYS 35 HB2 LYS 35 -8.225 0.797 -1.754 269 HB3 LYS 35 HB1 LYS 35 -7.965 1.595 -0.208 270 HG2 LYS 35 HG2 LYS 35 -9.360 3.426 -0.892 271 HG3 LYS 35 HG1 LYS 35 -9.591 2.667 -2.465 272 HD2 LYS 35 HD2 LYS 35 -10.480 0.673 -1.167 273 HD3 LYS 35 HD1 LYS 35 -10.573 1.782 0.208 274 HE2 LYS 35 HE2 LYS 35 -11.710 2.255 -2.471 275 HE3 LYS 35 HE1 LYS 35 -12.657 1.626 -1.111 276 HZ1 LYS 35 HZ1 LYS 35 -11.319 4.317 -1.263 277 HZ2 LYS 35 HZ2 LYS 35 -12.201 3.729 0.059 278 HZ3 LYS 35 HZ3 LYS 35 -12.974 4.031 -1.398 279 H ARG 36 H ARG 36 -6.001 2.501 0.481 280 HA ARG 36 HA ARG 36 -6.755 5.044 1.410 281 HB2 ARG 36 HB2 ARG 36 -4.334 3.462 2.296 282 HB3 ARG 36 HB1 ARG 36 -5.130 4.747 3.192 283 HG2 ARG 36 HG2 ARG 36 -7.153 3.339 3.340 284 HG3 ARG 36 HG1 ARG 36 -6.273 2.040 2.535 285 HD2 ARG 36 HD2 ARG 36 -5.677 3.282 5.220 286 HD3 ARG 36 HD1 ARG 36 -6.237 1.644 4.898 287 HE ARG 36 HE ARG 36 -3.638 2.552 3.890 288 HH11 ARG 36 HH11 ARG 36 -5.493 0.253 5.930 289 HH12 ARG 36 HH12 ARG 36 -4.117 -0.640 6.350 290 HH21 ARG 36 HH21 ARG 36 -1.749 1.253 4.537 291 HH22 ARG 36 HH22 ARG 36 -1.998 -0.079 5.539 292 H LEU 37 H LEU 37 -3.914 3.945 -0.251 293 HA LEU 37 HA LEU 37 -2.318 6.247 -0.141 294 HB2 LEU 37 HB2 LEU 37 -1.810 3.821 -0.905 295 HB3 LEU 37 HB1 LEU 37 -2.508 4.278 -2.430 296 HG LEU 37 HG LEU 37 -0.063 4.239 -2.454 297 HD11 LEU 37 HD11 LEU 37 -1.154 5.669 -4.026 298 HD12 LEU 37 HD12 LEU 37 0.362 6.390 -3.481 299 HD13 LEU 37 HD13 LEU 37 -1.181 6.995 -2.860 300 HD21 LEU 37 HD21 LEU 37 1.214 5.907 -1.260 301 HD22 LEU 37 HD22 LEU 37 0.342 4.847 -0.153 302 HD23 LEU 37 HD23 LEU 37 -0.246 6.483 -0.460 303 H ARG 38 H ARG 38 -4.578 5.028 -2.568 304 HA ARG 38 HA ARG 38 -4.525 7.150 -4.368 305 HB2 ARG 38 HB2 ARG 38 -5.385 4.873 -4.815 306 HB3 ARG 38 HB1 ARG 38 -6.775 5.228 -3.806 307 HG2 ARG 38 HG2 ARG 38 -7.439 7.000 -5.355 308 HG3 ARG 38 HG1 ARG 38 -6.046 6.625 -6.371 309 HD2 ARG 38 HD2 ARG 38 -8.381 4.838 -5.739 310 HD3 ARG 38 HD1 ARG 38 -7.971 5.535 -7.298 311 HE ARG 38 HE ARG 38 -6.681 3.321 -5.942 312 HH11 ARG 38 HH11 ARG 38 -6.852 5.398 -8.793 313 HH12 ARG 38 HH12 ARG 38 -5.831 4.444 -9.760 314 HH21 ARG 38 HH21 ARG 38 -5.257 1.928 -7.310 315 HH22 ARG 38 HH22 ARG 38 -4.893 2.449 -8.866 316 H GLU 39 H GLU 39 -6.565 6.577 -1.542 317 HA GLU 39 HA GLU 39 -8.438 8.631 -1.923 318 HB2 GLU 39 HB2 GLU 39 -7.312 7.686 0.717 319 HB3 GLU 39 HB1 GLU 39 -8.806 8.572 0.501 320 HG2 GLU 39 HG2 GLU 39 -8.220 5.757 -0.373 321 HG3 GLU 39 HG1 GLU 39 -9.263 6.265 0.950 322 H ARG 40 H ARG 40 -5.301 8.663 -0.358 323 HA ARG 40 HA ARG 40 -5.487 11.373 0.495 324 HB2 ARG 40 HB2 ARG 40 -4.130 9.747 1.680 325 HB3 ARG 40 HB1 ARG 40 -3.113 9.531 0.273 326 HG2 ARG 40 HG2 ARG 40 -2.317 11.832 0.495 327 HG3 ARG 40 HG1 ARG 40 -3.378 12.069 1.886 328 HD2 ARG 40 HD2 ARG 40 -1.120 10.082 1.679 329 HD3 ARG 40 HD1 ARG 40 -1.107 11.581 2.609 330 HE ARG 40 HE ARG 40 -3.060 10.553 3.823 331 HH11 ARG 40 HH11 ARG 40 -0.428 8.602 2.479 332 HH12 ARG 40 HH12 ARG 40 -0.573 7.350 3.618 333 HH21 ARG 40 HH21 ARG 40 -3.267 8.825 5.403 334 HH22 ARG 40 HH22 ARG 40 -2.237 7.475 5.339 335 H GLU 41 H GLU 41 -4.456 9.829 -2.401 336 HA GLU 41 HA GLU 41 -3.143 12.195 -3.424 337 HB2 GLU 41 HB2 GLU 41 -4.000 9.675 -4.858 338 HB3 GLU 41 HB1 GLU 41 -2.951 10.920 -5.518 339 HG2 GLU 41 HG2 GLU 41 -2.338 9.150 -3.162 340 HG3 GLU 41 HG1 GLU 41 -1.704 8.953 -4.789 341 H GLY 42 H GLY 42 -6.188 10.461 -3.901 342 HA2 GLY 42 HA2 GLY 42 -7.229 12.018 -5.995 343 HA3 GLY 42 HA1 GLY 42 -8.134 10.947 -4.942 344 H ARG 43 H ARG 43 -7.282 12.482 -2.554 345 HA ARG 43 HA ARG 43 -9.374 14.396 -2.552 346 HB2 ARG 43 HB2 ARG 43 -8.600 15.032 -0.299 347 HB3 ARG 43 HB1 ARG 43 -8.733 13.290 -0.474 348 HG2 ARG 43 HG2 ARG 43 -6.299 13.165 -0.807 349 HG3 ARG 43 HG1 ARG 43 -6.199 14.907 -0.564 350 HD2 ARG 43 HD2 ARG 43 -7.273 12.939 1.454 351 HD3 ARG 43 HD1 ARG 43 -5.635 13.590 1.465 352 HE ARG 43 HE ARG 43 -7.510 15.685 1.431 353 HH11 ARG 43 HH11 ARG 43 -6.258 13.217 3.638 354 HH12 ARG 43 HH12 ARG 43 -6.538 14.155 5.037 355 HH21 ARG 43 HH21 ARG 43 -7.882 16.942 3.373 356 HH22 ARG 43 HH22 ARG 43 -7.429 16.290 4.885 357 H ARG 44 H ARG 44 -6.217 14.574 -3.748 358 HA ARG 44 HA ARG 44 -6.214 17.501 -3.606 359 HB2 ARG 44 HB2 ARG 44 -3.993 15.685 -4.549 360 HB3 ARG 44 HB1 ARG 44 -3.884 17.407 -4.230 361 HG2 ARG 44 HG2 ARG 44 -4.326 16.939 -1.836 362 HG3 ARG 44 HG1 ARG 44 -4.282 15.214 -2.207 363 HD2 ARG 44 HD2 ARG 44 -2.052 17.224 -2.395 364 HD3 ARG 44 HD1 ARG 44 -2.119 15.756 -1.421 365 HE ARG 44 HE ARG 44 -1.684 15.945 -4.302 366 HH11 ARG 44 HH11 ARG 44 -1.742 13.866 -1.414 367 HH12 ARG 44 HH12 ARG 44 -1.014 12.549 -2.224 368 HH21 ARG 44 HH21 ARG 44 -0.677 14.200 -5.323 369 HH22 ARG 44 HH22 ARG 44 -0.381 12.727 -4.492 370 H GLU 45 H GLU 45 -7.626 15.340 -5.379 371 HA GLU 45 HA GLU 45 -7.033 16.630 -7.936 372 HB2 GLU 45 HB2 GLU 45 -7.973 13.820 -7.350 373 HB3 GLU 45 HB1 GLU 45 -7.992 14.533 -8.950 374 HG2 GLU 45 HG2 GLU 45 -5.540 14.787 -8.838 375 HG3 GLU 45 HG1 GLU 45 -5.556 14.012 -7.253 376 H VAL 46 H VAL 46 -8.731 17.479 -9.003 377 HA VAL 46 HA VAL 46 -10.719 18.396 -9.414 378 HB VAL 46 HB VAL 46 -11.932 16.105 -7.820 379 HG11 VAL 46 HG11 VAL 46 -13.222 17.974 -9.809 380 HG12 VAL 46 HG12 VAL 46 -13.494 17.955 -8.067 381 HG13 VAL 46 3HG1 VAL 46 -14.002 16.583 -9.053 382 HG21 VAL 46 HG21 VAL 46 -10.616 15.285 -9.707 383 HG22 VAL 46 HG22 VAL 46 -11.481 16.366 -10.798 384 HG23 VAL 46 HG23 VAL 46 -12.338 15.044 -10.004 385 H ASP 47 H ASP 47 -10.541 20.289 -8.445 386 HA ASP 47 HA ASP 47 -11.519 20.480 -5.682 387 HB2 ASP 47 HB2 ASP 47 -9.501 22.312 -7.006 388 HB3 ASP 47 HB1 ASP 47 -10.130 22.475 -5.379 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 11.285 16.827 4.924 2 H3 PRO 1 HT2 PRO 1 11.177 18.209 4.075 3 HA PRO 1 HA PRO 1 11.935 17.250 2.405 4 HB2 PRO 1 HB2 PRO 1 14.344 16.024 3.493 5 HB3 PRO 1 HB1 PRO 1 14.194 17.284 2.260 6 HG2 PRO 1 HG2 PRO 1 15.099 17.789 4.783 7 HG3 PRO 1 HG1 PRO 1 14.260 18.987 3.785 8 HD2 PRO 1 HD2 PRO 1 13.212 17.356 6.072 9 HD3 PRO 1 HD1 PRO 1 12.829 19.024 5.611 10 H ARG 2 H ARG 2 12.441 15.030 1.508 11 HA ARG 2 HA ARG 2 11.965 12.859 1.281 12 HB2 ARG 2 HB2 ARG 2 13.487 12.482 3.218 13 HB3 ARG 2 HB1 ARG 2 12.118 12.681 4.301 14 HG2 ARG 2 HG2 ARG 2 11.044 10.731 3.207 15 HG3 ARG 2 HG1 ARG 2 12.528 10.485 2.285 16 HD2 ARG 2 HD2 ARG 2 12.568 9.026 4.178 17 HD3 ARG 2 HD1 ARG 2 13.751 10.304 4.439 18 HE ARG 2 HE ARG 2 11.408 11.163 5.597 19 HH11 ARG 2 HH11 ARG 2 13.668 8.481 6.087 20 HH12 ARG 2 HH12 ARG 2 13.301 8.286 7.736 21 HH21 ARG 2 HH21 ARG 2 10.914 10.882 7.905 22 HH22 ARG 2 HH22 ARG 2 11.736 9.676 8.781 23 H GLY 3 H GLY 3 10.002 12.701 0.478 24 HA2 GLY 3 HA2 GLY 3 7.817 12.188 2.291 25 HA3 GLY 3 HA1 GLY 3 7.647 13.624 1.290 26 H SER 4 H SER 4 8.553 10.203 0.942 27 HA SER 4 HA SER 4 7.032 10.245 -1.544 28 HB2 SER 4 HB2 SER 4 9.224 8.348 -0.675 29 HB3 SER 4 HB1 SER 4 8.417 8.357 -2.244 30 HG SER 4 HG SER 4 9.174 10.717 -2.163 31 HA PRO 5 HA PRO 5 4.188 8.013 1.258 32 HB2 PRO 5 HB2 PRO 5 2.238 7.692 -0.684 33 HB3 PRO 5 HB1 PRO 5 2.375 9.090 0.382 34 HG2 PRO 5 HG2 PRO 5 3.311 8.753 -2.435 35 HG3 PRO 5 HG1 PRO 5 2.557 10.161 -1.667 36 HD2 PRO 5 HD2 PRO 5 5.171 10.075 -2.127 37 HD3 PRO 5 HD1 PRO 5 4.537 10.819 -0.645 38 H ARG 6 H ARG 6 5.428 7.025 -1.813 39 HA ARG 6 HA ARG 6 4.434 4.438 -1.999 40 HB2 ARG 6 HB2 ARG 6 5.608 5.405 -3.860 41 HB3 ARG 6 HB1 ARG 6 7.097 5.505 -2.928 42 HG2 ARG 6 HG2 ARG 6 7.199 3.072 -2.828 43 HG3 ARG 6 HG1 ARG 6 5.695 2.968 -3.737 44 HD2 ARG 6 HD2 ARG 6 6.719 3.997 -5.629 45 HD3 ARG 6 HD1 ARG 6 8.226 4.253 -4.738 46 HE ARG 6 HE ARG 6 7.988 1.647 -4.517 47 HH11 ARG 6 HH11 ARG 6 7.429 3.621 -7.404 48 HH12 ARG 6 HH12 ARG 6 7.899 2.399 -8.485 49 HH21 ARG 6 HH21 ARG 6 8.620 0.029 -5.937 50 HH22 ARG 6 HH22 ARG 6 8.616 0.272 -7.635 51 H THR 7 H THR 7 7.039 5.667 0.027 52 HA THR 7 HA THR 7 8.269 3.197 0.526 53 HB THR 7 HB THR 7 9.092 4.302 2.657 54 HG1 THR 7 HG1 THR 7 8.101 6.743 1.664 55 HG21 THR 7 HG21 THR 7 10.369 4.391 0.567 56 HG22 THR 7 HG22 THR 7 10.529 5.895 1.468 57 HG23 THR 7 HG23 THR 7 9.459 5.818 0.066 58 H GLU 8 H GLU 8 5.678 4.849 2.207 59 HA GLU 8 HA GLU 8 5.229 3.002 4.302 60 HB2 GLU 8 HB2 GLU 8 4.402 5.369 4.148 61 HB3 GLU 8 HB1 GLU 8 3.260 4.839 2.925 62 HG2 GLU 8 HG2 GLU 8 2.134 5.019 5.024 63 HG3 GLU 8 HG1 GLU 8 2.263 3.310 4.600 64 H TYR 9 H TYR 9 3.797 3.493 1.123 65 HA TYR 9 HA TYR 9 1.807 1.576 1.182 66 HB2 TYR 9 HB2 TYR 9 1.569 3.310 -0.278 67 HB3 TYR 9 HB1 TYR 9 3.244 3.261 -0.774 68 HD1 TYR 9 HD1 TYR 9 3.839 2.271 -2.668 69 HD2 TYR 9 HD2 TYR 9 0.033 1.484 -1.096 70 HE1 TYR 9 HE1 TYR 9 3.226 1.171 -4.800 71 HE2 TYR 9 HE2 TYR 9 -0.650 0.394 -3.176 72 HH TYR 9 HH TYR 9 -0.068 0.310 -5.468 73 H GLU 10 H GLU 10 5.045 1.512 -0.270 74 HA GLU 10 HA GLU 10 4.879 -1.090 -1.265 75 HB2 GLU 10 HB2 GLU 10 6.501 0.714 -1.939 76 HB3 GLU 10 HB1 GLU 10 7.367 0.402 -0.447 77 HG2 GLU 10 HG2 GLU 10 7.914 -1.816 -1.155 78 HG3 GLU 10 HG1 GLU 10 6.898 -1.655 -2.591 79 H ALA 11 H ALA 11 6.048 0.208 1.830 80 HA ALA 11 HA ALA 11 7.037 -2.240 2.837 81 HB1 ALA 11 HB1 ALA 11 7.618 -0.085 3.853 82 HB2 ALA 11 HB2 ALA 11 6.910 -1.172 5.048 83 HB3 ALA 11 HB3 ALA 11 5.944 0.131 4.355 84 H CYS 12 H CYS 12 3.874 -0.821 2.727 85 HA CYS 12 HA CYS 12 2.529 -2.585 4.486 86 HB2 CYS 12 HB2 CYS 12 1.624 -0.388 3.694 87 HB3 CYS 12 HB1 CYS 12 1.473 -1.053 2.080 88 H ARG 13 H ARG 13 3.072 -2.560 0.986 89 HA ARG 13 HA ARG 13 1.713 -4.970 0.400 90 HB2 ARG 13 HB2 ARG 13 3.890 -3.516 -1.110 91 HB3 ARG 13 HB1 ARG 13 3.021 -4.906 -1.736 92 HG2 ARG 13 HG2 ARG 13 0.934 -3.660 -1.661 93 HG3 ARG 13 HG1 ARG 13 1.777 -2.271 -0.973 94 HD2 ARG 13 HD2 ARG 13 1.403 -1.993 -3.382 95 HD3 ARG 13 HD1 ARG 13 3.117 -2.057 -2.996 96 HE ARG 13 HE ARG 13 2.781 -4.554 -3.634 97 HH11 ARG 13 HH11 ARG 13 1.223 -1.803 -5.292 98 HH12 ARG 13 HH12 ARG 13 1.198 -2.578 -6.798 99 HH21 ARG 13 HH21 ARG 13 2.778 -5.557 -5.717 100 HH22 ARG 13 HH22 ARG 13 2.141 -4.747 -7.066 101 H VAL 14 H VAL 14 5.146 -4.240 0.907 102 HA VAL 14 HA VAL 14 6.113 -6.836 0.557 103 HB VAL 14 HB VAL 14 7.310 -4.565 2.193 104 HG11 VAL 14 HG11 VAL 14 8.250 -6.681 2.953 105 HG12 VAL 14 HG12 VAL 14 9.452 -5.792 2.010 106 HG13 VAL 14 3HG1 VAL 14 8.584 -7.145 1.289 107 HG21 VAL 14 HG21 VAL 14 7.926 -5.566 -0.588 108 HG22 VAL 14 HG22 VAL 14 8.775 -4.267 0.251 109 HG23 VAL 14 HG23 VAL 14 7.076 -4.072 -0.187 110 H ARG 15 H ARG 15 4.882 -5.236 3.454 111 HA ARG 15 HA ARG 15 5.533 -7.170 5.351 112 HB2 ARG 15 HB2 ARG 15 4.527 -4.967 5.904 113 HB3 ARG 15 HB1 ARG 15 2.998 -5.512 5.231 114 HG2 ARG 15 HG2 ARG 15 2.866 -7.257 6.944 115 HG3 ARG 15 HG1 ARG 15 4.397 -6.704 7.619 116 HD2 ARG 15 HD2 ARG 15 3.362 -4.487 8.027 117 HD3 ARG 15 HD1 ARG 15 1.824 -5.140 7.461 118 HE ARG 15 HE ARG 15 2.609 -6.867 9.397 119 HH11 ARG 15 HH11 ARG 15 2.027 -3.370 9.331 120 HH12 ARG 15 HH12 ARG 15 1.683 -3.253 10.988 121 HH21 ARG 15 HH21 ARG 15 2.127 -6.702 11.696 122 HH22 ARG 15 HH22 ARG 15 1.781 -5.188 12.373 123 H CYS 16 H CYS 16 2.646 -6.902 3.325 124 HA CYS 16 HA CYS 16 1.596 -9.372 4.205 125 HB2 CYS 16 HB2 CYS 16 0.950 -7.645 1.841 126 HB3 CYS 16 HB1 CYS 16 0.073 -9.123 2.231 127 H GLN 17 H GLN 17 3.791 -8.492 1.698 128 HA GLN 17 HA GLN 17 3.578 -10.780 0.097 129 HB2 GLN 17 HB2 GLN 17 4.655 -8.637 -0.540 130 HB3 GLN 17 HB1 GLN 17 5.956 -8.991 0.580 131 HG2 GLN 17 HG2 GLN 17 6.579 -10.926 -0.746 132 HG3 GLN 17 HG1 GLN 17 5.259 -10.589 -1.869 133 HE21 GLN 17 1HE2 GLN 17 6.601 -10.264 -3.604 134 HE22 GLN 17 2HE2 GLN 17 7.644 -8.900 -3.748 135 H VAL 18 H VAL 18 5.553 -10.014 2.916 136 HA VAL 18 HA VAL 18 6.699 -12.670 2.805 137 HB VAL 18 HB VAL 18 8.253 -10.842 3.214 138 HG11 VAL 18 HG11 VAL 18 6.756 -10.337 5.771 139 HG12 VAL 18 HG12 VAL 18 6.826 -9.278 4.366 140 HG13 VAL 18 3HG1 VAL 18 8.282 -9.582 5.309 141 HG21 VAL 18 HG21 VAL 18 8.839 -13.016 4.113 142 HG22 VAL 18 HG22 VAL 18 7.976 -12.657 5.608 143 HG23 VAL 18 HG23 VAL 18 9.423 -11.744 5.185 144 H ALA 19 H ALA 19 4.623 -10.816 5.052 145 HA ALA 19 HA ALA 19 4.597 -13.012 6.910 146 HB1 ALA 19 HB1 ALA 19 3.226 -11.607 8.317 147 HB2 ALA 19 HB2 ALA 19 2.996 -10.465 6.994 148 HB3 ALA 19 HB3 ALA 19 4.597 -10.684 7.698 149 H GLU 20 H GLU 20 2.241 -11.599 4.662 150 HA GLU 20 HA GLU 20 0.199 -13.450 5.507 151 HB2 GLU 20 HB2 GLU 20 0.308 -11.664 3.067 152 HB3 GLU 20 HB1 GLU 20 -1.084 -12.612 3.557 153 HG2 GLU 20 HG2 GLU 20 0.164 -10.420 5.184 154 HG3 GLU 20 HG1 GLU 20 -1.241 -10.216 4.138 155 H HIS 21 H HIS 21 2.004 -12.970 2.502 156 HA HIS 21 HA HIS 21 2.861 -14.322 0.948 157 HB2 HIS 21 HB2 HIS 21 3.931 -15.624 2.705 158 HB3 HIS 21 HB1 HIS 21 2.446 -16.514 2.998 159 HD1 HIS 21 HD1 HIS 21 5.371 -16.361 0.583 160 HD2 HIS 21 HD2 HIS 21 1.981 -18.649 1.313 161 HE1 HIS 21 HE1 HIS 21 5.607 -18.433 -0.814 162 H GLY 22 H GLY 22 -0.088 -15.642 2.299 163 HA2 GLY 22 HA2 GLY 22 -0.978 -17.146 0.126 164 HA3 GLY 22 HA1 GLY 22 -2.020 -16.377 1.317 165 H VAL 23 H VAL 23 -2.211 -16.737 -1.644 166 HA VAL 23 HA VAL 23 -1.737 -14.240 -2.903 167 HB VAL 23 HB VAL 23 -3.520 -16.492 -3.882 168 HG11 VAL 23 HG11 VAL 23 -3.802 -14.414 -5.124 169 HG12 VAL 23 HG12 VAL 23 -3.030 -15.651 -6.113 170 HG13 VAL 23 3HG1 VAL 23 -2.066 -14.349 -5.419 171 HG21 VAL 23 HG21 VAL 23 -0.557 -16.100 -4.304 172 HG22 VAL 23 HG22 VAL 23 -1.548 -17.329 -5.088 173 HG23 VAL 23 HG23 VAL 23 -1.313 -17.369 -3.340 174 H GLU 24 H GLU 24 -4.544 -15.666 -1.332 175 HA GLU 24 HA GLU 24 -6.371 -13.635 -2.221 176 HB2 GLU 24 HB2 GLU 24 -6.598 -15.410 0.229 177 HB3 GLU 24 HB1 GLU 24 -7.881 -14.444 -0.466 178 HG2 GLU 24 HG2 GLU 24 -6.529 -16.781 -1.772 179 HG3 GLU 24 HG1 GLU 24 -8.132 -16.764 -1.046 180 H ARG 25 H ARG 25 -4.403 -14.181 0.588 181 HA ARG 25 HA ARG 25 -5.253 -11.978 2.134 182 HB2 ARG 25 HB2 ARG 25 -2.552 -13.338 2.126 183 HB3 ARG 25 HB1 ARG 25 -3.178 -12.296 3.397 184 HG2 ARG 25 HG2 ARG 25 -4.356 -14.949 2.580 185 HG3 ARG 25 HG1 ARG 25 -3.305 -14.684 3.968 186 HD2 ARG 25 HD2 ARG 25 -6.013 -13.405 3.548 187 HD3 ARG 25 HD1 ARG 25 -5.685 -14.788 4.585 188 HE ARG 25 HE ARG 25 -4.053 -12.534 5.256 189 HH11 ARG 25 HH11 ARG 25 -7.312 -13.842 5.691 190 HH12 ARG 25 HH12 ARG 25 -7.545 -13.081 7.188 191 HH21 ARG 25 HH21 ARG 25 -4.355 -11.535 7.229 192 HH22 ARG 25 HH22 ARG 25 -5.818 -11.702 8.098 193 H GLN 26 H GLN 26 -2.564 -12.372 -0.142 194 HA GLN 26 HA GLN 26 -1.615 -9.725 0.071 195 HB2 GLN 26 HB2 GLN 26 -0.216 -11.512 -0.834 196 HB3 GLN 26 HB1 GLN 26 -1.313 -11.709 -2.193 197 HG2 GLN 26 HG2 GLN 26 0.651 -10.488 -2.892 198 HG3 GLN 26 HG1 GLN 26 -0.763 -9.442 -2.953 199 HE21 GLN 26 1HE2 GLN 26 2.240 -10.067 -1.428 200 HE22 GLN 26 2HE2 GLN 26 2.352 -8.578 -0.552 201 H ARG 27 H ARG 27 -4.118 -11.196 -1.903 202 HA ARG 27 HA ARG 27 -4.442 -9.057 -3.708 203 HB2 ARG 27 HB2 ARG 27 -5.412 -11.350 -3.970 204 HB3 ARG 27 HB1 ARG 27 -6.596 -10.951 -2.735 205 HG2 ARG 27 HG2 ARG 27 -7.586 -10.732 -4.932 206 HG3 ARG 27 HG1 ARG 27 -7.446 -9.143 -4.179 207 HD2 ARG 27 HD2 ARG 27 -6.789 -9.080 -6.543 208 HD3 ARG 27 HD1 ARG 27 -5.435 -8.679 -5.495 209 HE ARG 27 HE ARG 27 -5.776 -11.405 -6.540 210 HH11 ARG 27 HH11 ARG 27 -3.786 -8.466 -6.316 211 HH12 ARG 27 HH12 ARG 27 -2.435 -9.167 -7.071 212 HH21 ARG 27 HH21 ARG 27 -3.907 -12.332 -7.606 213 HH22 ARG 27 HH22 ARG 27 -2.495 -11.424 -7.808 214 H ARG 28 H ARG 28 -5.748 -9.722 -0.522 215 HA ARG 28 HA ARG 28 -7.480 -7.481 -0.370 216 HB2 ARG 28 HB2 ARG 28 -7.663 -9.382 1.198 217 HB3 ARG 28 HB1 ARG 28 -6.078 -8.998 1.847 218 HG2 ARG 28 HG2 ARG 28 -6.928 -6.862 2.683 219 HG3 ARG 28 HG1 ARG 28 -8.519 -7.235 2.022 220 HD2 ARG 28 HD2 ARG 28 -8.676 -9.181 3.452 221 HD3 ARG 28 HD1 ARG 28 -7.069 -8.860 4.109 222 HE ARG 28 HE ARG 28 -8.690 -6.606 4.458 223 HH11 ARG 28 HH11 ARG 28 -8.424 -9.900 5.694 224 HH12 ARG 28 HH12 ARG 28 -9.099 -9.555 7.219 225 HH21 ARG 28 HH21 ARG 28 -9.640 -6.118 6.569 226 HH22 ARG 28 HH22 ARG 28 -9.777 -7.370 7.718 227 H CYS 29 H CYS 29 -4.155 -8.062 0.726 228 HA CYS 29 HA CYS 29 -3.702 -5.548 1.779 229 HB2 CYS 29 HB2 CYS 29 -1.807 -7.562 0.631 230 HB3 CYS 29 HB1 CYS 29 -1.297 -6.097 1.462 231 H GLN 30 H GLN 30 -3.065 -6.712 -1.530 232 HA GLN 30 HA GLN 30 -1.866 -4.438 -2.565 233 HB2 GLN 30 HB2 GLN 30 -2.174 -6.540 -3.831 234 HB3 GLN 30 HB1 GLN 30 -3.896 -6.215 -3.931 235 HG2 GLN 30 HG2 GLN 30 -3.380 -4.127 -5.173 236 HG3 GLN 30 HG1 GLN 30 -1.685 -4.608 -5.183 237 HE21 GLN 30 1HE2 GLN 30 -4.852 -5.273 -6.383 238 HE22 GLN 30 2HE2 GLN 30 -4.377 -6.315 -7.668 239 H GLN 31 H GLN 31 -5.277 -5.228 -2.275 240 HA GLN 31 HA GLN 31 -6.394 -2.938 -3.437 241 HB2 GLN 31 HB2 GLN 31 -7.592 -5.043 -3.005 242 HB3 GLN 31 HB1 GLN 31 -7.477 -4.753 -1.279 243 HG2 GLN 31 HG2 GLN 31 -8.815 -2.683 -1.611 244 HG3 GLN 31 HG1 GLN 31 -9.025 -3.157 -3.295 245 HE21 GLN 31 1HE2 GLN 31 -9.200 -6.038 -2.563 246 HE22 GLN 31 2HE2 GLN 31 -10.763 -6.235 -1.889 247 H VAL 32 H VAL 32 -5.858 -3.771 -0.032 248 HA VAL 32 HA VAL 32 -6.845 -1.327 0.989 249 HB VAL 32 HB VAL 32 -5.163 -3.443 2.362 250 HG11 VAL 32 HG11 VAL 32 -4.996 -1.299 3.552 251 HG12 VAL 32 HG12 VAL 32 -5.945 -2.464 4.475 252 HG13 VAL 32 3HG1 VAL 32 -6.755 -1.177 3.583 253 HG21 VAL 32 HG21 VAL 32 -8.134 -2.927 2.367 254 HG22 VAL 32 HG22 VAL 32 -7.305 -4.169 3.305 255 HG23 VAL 32 HG23 VAL 32 -7.310 -4.250 1.546 256 H CYS 33 H CYS 33 -3.511 -2.457 0.436 257 HA CYS 33 HA CYS 33 -2.377 -0.139 1.593 258 HB2 CYS 33 HB2 CYS 33 -1.117 -2.050 -0.398 259 HB3 CYS 33 HB1 CYS 33 -0.252 -0.883 0.591 260 H GLU 34 H GLU 34 -3.506 -0.926 -1.651 261 HA GLU 34 HA GLU 34 -2.397 1.340 -2.982 262 HB2 GLU 34 HB2 GLU 34 -3.476 -0.806 -3.980 263 HB3 GLU 34 HB1 GLU 34 -5.003 -0.000 -3.683 264 HG2 GLU 34 HG2 GLU 34 -4.368 0.308 -5.967 265 HG3 GLU 34 HG1 GLU 34 -4.265 1.857 -5.128 266 H LYS 35 H LYS 35 -5.434 0.635 -1.373 267 HA LYS 35 HA LYS 35 -6.749 3.072 -1.734 268 HB2 LYS 35 HB2 LYS 35 -7.927 1.168 -0.884 269 HB3 LYS 35 HB1 LYS 35 -6.864 1.060 0.508 270 HG2 LYS 35 HG2 LYS 35 -7.741 3.206 1.331 271 HG3 LYS 35 HG1 LYS 35 -8.831 3.267 -0.052 272 HD2 LYS 35 HD2 LYS 35 -8.798 1.041 1.981 273 HD3 LYS 35 HD1 LYS 35 -9.878 2.434 2.050 274 HE2 LYS 35 HE2 LYS 35 -9.734 0.482 -0.247 275 HE3 LYS 35 HE1 LYS 35 -10.906 0.420 1.060 276 HZ1 LYS 35 HZ1 LYS 35 -11.746 2.586 0.381 277 HZ2 LYS 35 HZ2 LYS 35 -11.808 1.507 -0.889 278 HZ3 LYS 35 HZ3 LYS 35 -10.612 2.682 -0.867 279 H ARG 36 H ARG 36 -4.654 1.941 0.867 280 HA ARG 36 HA ARG 36 -4.630 4.232 2.442 281 HB2 ARG 36 HB2 ARG 36 -2.502 2.155 2.011 282 HB3 ARG 36 HB1 ARG 36 -2.350 3.453 3.182 283 HG2 ARG 36 HG2 ARG 36 -4.363 2.631 4.325 284 HG3 ARG 36 HG1 ARG 36 -4.457 1.304 3.162 285 HD2 ARG 36 HD2 ARG 36 -3.379 0.662 5.283 286 HD3 ARG 36 HD1 ARG 36 -2.316 0.456 3.886 287 HE ARG 36 HE ARG 36 -1.780 2.966 4.839 288 HH11 ARG 36 HH11 ARG 36 -1.621 -0.263 6.251 289 HH12 ARG 36 HH12 ARG 36 -0.369 0.136 7.334 290 HH21 ARG 36 HH21 ARG 36 -0.104 3.499 6.261 291 HH22 ARG 36 HH22 ARG 36 0.536 2.327 7.337 292 H LEU 37 H LEU 37 -2.549 3.319 -0.255 293 HA LEU 37 HA LEU 37 -0.899 5.577 -0.200 294 HB2 LEU 37 HB2 LEU 37 -0.316 3.603 -1.473 295 HB3 LEU 37 HB1 LEU 37 -1.715 3.815 -2.502 296 HG LEU 37 HG LEU 37 -0.763 5.886 -3.359 297 HD11 LEU 37 HD11 LEU 37 1.607 6.419 -2.946 298 HD12 LEU 37 HD12 LEU 37 1.673 5.132 -1.742 299 HD13 LEU 37 HD13 LEU 37 0.634 6.535 -1.483 300 HD21 LEU 37 HD21 LEU 37 -0.425 3.847 -4.562 301 HD22 LEU 37 HD22 LEU 37 1.025 3.499 -3.619 302 HD23 LEU 37 HD23 LEU 37 0.994 4.884 -4.712 303 H ARG 38 H ARG 38 -3.836 4.910 -2.049 304 HA ARG 38 HA ARG 38 -3.799 7.406 -3.353 305 HB2 ARG 38 HB2 ARG 38 -6.031 5.428 -3.015 306 HB3 ARG 38 HB1 ARG 38 -6.153 6.881 -4.001 307 HG2 ARG 38 HG2 ARG 38 -4.227 4.597 -4.406 308 HG3 ARG 38 HG1 ARG 38 -5.639 4.978 -5.395 309 HD2 ARG 38 HD2 ARG 38 -3.159 6.694 -5.072 310 HD3 ARG 38 HD1 ARG 38 -3.623 5.766 -6.487 311 HE ARG 38 HE ARG 38 -5.746 7.282 -6.233 312 HH11 ARG 38 HH11 ARG 38 -2.333 8.335 -5.883 313 HH12 ARG 38 HH12 ARG 38 -2.604 9.822 -6.641 314 HH21 ARG 38 HH21 ARG 38 -6.071 9.372 -7.225 315 HH22 ARG 38 HH22 ARG 38 -4.754 10.426 -7.410 316 H GLU 39 H GLU 39 -5.249 6.461 -0.334 317 HA GLU 39 HA GLU 39 -6.475 9.043 -0.077 318 HB2 GLU 39 HB2 GLU 39 -6.054 6.753 1.758 319 HB3 GLU 39 HB1 GLU 39 -6.747 8.265 2.343 320 HG2 GLU 39 HG2 GLU 39 -7.895 6.627 0.088 321 HG3 GLU 39 HG1 GLU 39 -8.434 6.520 1.761 322 H ARG 40 H ARG 40 -3.440 7.579 0.852 323 HA ARG 40 HA ARG 40 -2.549 9.639 2.550 324 HB2 ARG 40 HB2 ARG 40 -1.427 7.438 2.346 325 HB3 ARG 40 HB1 ARG 40 -0.949 7.842 0.709 326 HG2 ARG 40 HG2 ARG 40 0.912 8.092 2.233 327 HG3 ARG 40 HG1 ARG 40 0.444 9.657 1.564 328 HD2 ARG 40 HD2 ARG 40 -0.713 10.232 3.590 329 HD3 ARG 40 HD1 ARG 40 -0.431 8.623 4.257 330 HE ARG 40 HE ARG 40 1.993 9.838 3.535 331 HH11 ARG 40 HH11 ARG 40 -0.497 10.091 6.026 332 HH12 ARG 40 HH12 ARG 40 0.575 10.623 7.248 333 HH21 ARG 40 HH21 ARG 40 3.450 10.577 5.186 334 HH22 ARG 40 HH22 ARG 40 2.881 10.938 6.742 335 H GLU 41 H GLU 41 -2.291 9.105 -0.909 336 HA GLU 41 HA GLU 41 -0.971 11.574 -1.443 337 HB2 GLU 41 HB2 GLU 41 -2.508 9.790 -3.330 338 HB3 GLU 41 HB1 GLU 41 -1.438 11.093 -3.798 339 HG2 GLU 41 HG2 GLU 41 0.438 9.835 -2.757 340 HG3 GLU 41 HG1 GLU 41 -0.683 8.503 -2.466 341 H GLY 42 H GLY 42 -4.314 10.409 -2.063 342 HA2 GLY 42 HA2 GLY 42 -4.995 12.974 -3.179 343 HA3 GLY 42 HA1 GLY 42 -6.001 11.546 -3.133 344 H ARG 43 H ARG 43 -5.503 11.496 -0.082 345 HA ARG 43 HA ARG 43 -7.715 13.311 0.398 346 HB2 ARG 43 HB2 ARG 43 -7.678 10.950 1.296 347 HB3 ARG 43 HB1 ARG 43 -6.378 11.444 2.359 348 HG2 ARG 43 HG2 ARG 43 -8.470 11.395 3.552 349 HG3 ARG 43 HG1 ARG 43 -7.895 13.062 3.419 350 HD2 ARG 43 HD2 ARG 43 -10.330 12.775 2.969 351 HD3 ARG 43 HD1 ARG 43 -9.432 13.519 1.643 352 HE ARG 43 HE ARG 43 -9.620 10.683 1.415 353 HH11 ARG 43 HH11 ARG 43 -11.559 13.592 0.946 354 HH12 ARG 43 HH12 ARG 43 -12.400 13.006 -0.415 355 HH21 ARG 43 HH21 ARG 43 -10.646 9.891 -0.441 356 HH22 ARG 43 HH22 ARG 43 -11.849 10.787 -1.264 357 H ARG 44 H ARG 44 -4.320 13.101 0.854 358 HA ARG 44 HA ARG 44 -4.411 15.299 2.738 359 HB2 ARG 44 HB2 ARG 44 -2.919 13.130 2.942 360 HB3 ARG 44 HB1 ARG 44 -1.846 13.997 1.861 361 HG2 ARG 44 HG2 ARG 44 -2.797 15.215 4.439 362 HG3 ARG 44 HG1 ARG 44 -1.411 14.132 4.386 363 HD2 ARG 44 HD2 ARG 44 -1.687 16.668 2.784 364 HD3 ARG 44 HD1 ARG 44 -0.793 16.530 4.303 365 HE ARG 44 HE ARG 44 0.414 14.672 3.023 366 HH11 ARG 44 HH11 ARG 44 -0.547 17.832 1.735 367 HH12 ARG 44 HH12 ARG 44 0.551 17.743 0.428 368 HH21 ARG 44 HH21 ARG 44 1.935 14.629 1.243 369 HH22 ARG 44 HH22 ARG 44 1.914 15.942 0.132 370 H GLU 45 H GLU 45 -2.979 14.571 -0.537 371 HA GLU 45 HA GLU 45 -3.628 17.301 -1.115 372 HB2 GLU 45 HB2 GLU 45 -1.561 17.781 -2.418 373 HB3 GLU 45 HB1 GLU 45 -1.236 17.552 -0.718 374 HG2 GLU 45 HG2 GLU 45 -0.305 15.353 -1.173 375 HG3 GLU 45 HG1 GLU 45 -0.711 15.523 -2.883 376 H VAL 46 H VAL 46 -5.319 16.807 -2.193 377 HA VAL 46 HA VAL 46 -5.471 14.767 -4.150 378 HB VAL 46 HB VAL 46 -7.438 15.496 -2.852 379 HG11 VAL 46 HG11 VAL 46 -8.641 17.546 -3.385 380 HG12 VAL 46 HG12 VAL 46 -7.341 18.020 -4.475 381 HG13 VAL 46 3HG1 VAL 46 -7.032 17.876 -2.747 382 HG21 VAL 46 HG21 VAL 46 -7.769 15.830 -5.830 383 HG22 VAL 46 HG22 VAL 46 -9.085 15.551 -4.691 384 HG23 VAL 46 HG23 VAL 46 -7.847 14.318 -4.925 385 H ASP 47 H ASP 47 -5.335 14.818 -6.293 386 HA ASP 47 HA ASP 47 -4.231 17.135 -7.575 387 HB2 ASP 47 HB2 ASP 47 -4.946 14.390 -8.644 388 HB3 ASP 47 HB1 ASP 47 -4.397 15.696 -9.684 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 15.953 5.825 1.525 2 H3 PRO 1 HT2 PRO 1 15.091 4.462 1.632 3 HA PRO 1 HA PRO 1 13.557 5.288 2.857 4 HB2 PRO 1 HB2 PRO 1 14.829 7.557 4.065 5 HB3 PRO 1 HB1 PRO 1 14.061 6.174 4.855 6 HG2 PRO 1 HG2 PRO 1 16.891 6.655 4.339 7 HG3 PRO 1 HG1 PRO 1 16.133 5.444 5.379 8 HD2 PRO 1 HD2 PRO 1 17.430 4.829 3.037 9 HD3 PRO 1 HD1 PRO 1 16.127 3.842 3.721 10 H ARG 2 H ARG 2 12.229 6.315 1.556 11 HA ARG 2 HA ARG 2 13.307 8.548 -0.001 12 HB2 ARG 2 HB2 ARG 2 10.953 6.762 -0.514 13 HB3 ARG 2 HB1 ARG 2 11.264 8.231 -1.413 14 HG2 ARG 2 HG2 ARG 2 13.455 7.246 -2.092 15 HG3 ARG 2 HG1 ARG 2 12.935 5.748 -1.311 16 HD2 ARG 2 HD2 ARG 2 12.483 5.753 -3.740 17 HD3 ARG 2 HD1 ARG 2 11.015 5.602 -2.773 18 HE ARG 2 HE ARG 2 11.368 8.302 -3.231 19 HH11 ARG 2 HH11 ARG 2 10.814 5.451 -5.304 20 HH12 ARG 2 HH12 ARG 2 10.015 6.350 -6.501 21 HH21 ARG 2 HH21 ARG 2 10.221 9.474 -4.859 22 HH22 ARG 2 HH22 ARG 2 9.686 8.676 -6.265 23 H GLY 3 H GLY 3 12.338 10.479 0.004 24 HA2 GLY 3 HA2 GLY 3 10.247 10.988 1.942 25 HA3 GLY 3 HA1 GLY 3 11.057 12.191 0.929 26 H SER 4 H SER 4 9.097 9.293 0.508 27 HA SER 4 HA SER 4 7.251 10.658 -1.249 28 HB2 SER 4 HB2 SER 4 8.790 8.175 -2.095 29 HB3 SER 4 HB1 SER 4 7.563 9.019 -3.037 30 HG SER 4 HG SER 4 9.128 10.878 -2.632 31 HA PRO 5 HA PRO 5 4.767 7.789 1.134 32 HB2 PRO 5 HB2 PRO 5 2.486 7.851 -0.321 33 HB3 PRO 5 HB1 PRO 5 2.983 9.186 0.729 34 HG2 PRO 5 HG2 PRO 5 3.309 8.881 -2.232 35 HG3 PRO 5 HG1 PRO 5 2.771 10.300 -1.318 36 HD2 PRO 5 HD2 PRO 5 5.293 10.068 -2.237 37 HD3 PRO 5 HD1 PRO 5 4.928 10.865 -0.696 38 H ARG 6 H ARG 6 5.696 7.284 -2.070 39 HA ARG 6 HA ARG 6 4.430 4.925 -2.851 40 HB2 ARG 6 HB2 ARG 6 7.275 5.734 -3.434 41 HB3 ARG 6 HB1 ARG 6 6.470 4.371 -4.184 42 HG2 ARG 6 HG2 ARG 6 4.771 6.010 -5.063 43 HG3 ARG 6 HG1 ARG 6 5.848 7.287 -4.479 44 HD2 ARG 6 HD2 ARG 6 6.263 6.837 -6.845 45 HD3 ARG 6 HD1 ARG 6 7.659 6.394 -5.864 46 HE ARG 6 HE ARG 6 6.167 4.103 -6.071 47 HH11 ARG 6 HH11 ARG 6 7.693 6.241 -8.435 48 HH12 ARG 6 HH12 ARG 6 7.999 5.008 -9.561 49 HH21 ARG 6 HH21 ARG 6 6.606 2.425 -7.590 50 HH22 ARG 6 HH22 ARG 6 7.348 2.787 -9.088 51 H THR 7 H THR 7 7.270 5.291 -0.722 52 HA THR 7 HA THR 7 7.909 2.573 -0.715 53 HB THR 7 HB THR 7 9.162 3.427 1.425 54 HG1 THR 7 HG1 THR 7 8.823 5.494 1.807 55 HG21 THR 7 HG21 THR 7 10.231 2.906 -0.719 56 HG22 THR 7 HG22 THR 7 10.877 4.417 -0.064 57 HG23 THR 7 HG23 THR 7 9.691 4.453 -1.366 58 H GLU 8 H GLU 8 5.767 4.534 1.175 59 HA GLU 8 HA GLU 8 5.318 2.734 3.320 60 HB2 GLU 8 HB2 GLU 8 3.527 4.845 2.112 61 HB3 GLU 8 HB1 GLU 8 3.226 4.035 3.641 62 HG2 GLU 8 HG2 GLU 8 5.652 5.712 3.055 63 HG3 GLU 8 HG1 GLU 8 4.203 6.299 3.868 64 H TYR 9 H TYR 9 3.739 3.303 0.228 65 HA TYR 9 HA TYR 9 1.713 1.364 0.502 66 HB2 TYR 9 HB2 TYR 9 1.202 3.024 -0.999 67 HB3 TYR 9 HB1 TYR 9 2.841 3.134 -1.605 68 HD1 TYR 9 HD1 TYR 9 3.557 1.823 -3.363 69 HD2 TYR 9 HD2 TYR 9 -0.376 1.388 -1.916 70 HE1 TYR 9 HE1 TYR 9 2.981 0.595 -5.416 71 HE2 TYR 9 HE2 TYR 9 -1.013 0.150 -3.954 72 HH TYR 9 HH TYR 9 1.391 -0.902 -6.250 73 H GLU 10 H GLU 10 4.867 1.419 -1.015 74 HA GLU 10 HA GLU 10 4.816 -1.109 -2.201 75 HB2 GLU 10 HB2 GLU 10 6.359 0.785 -2.712 76 HB3 GLU 10 HB1 GLU 10 7.198 0.441 -1.212 77 HG2 GLU 10 HG2 GLU 10 7.828 -1.739 -2.040 78 HG3 GLU 10 HG1 GLU 10 6.920 -1.443 -3.524 79 H ALA 11 H ALA 11 6.218 -0.034 0.925 80 HA ALA 11 HA ALA 11 7.129 -2.584 1.696 81 HB1 ALA 11 HB1 ALA 11 7.974 -0.516 2.701 82 HB2 ALA 11 HB2 ALA 11 7.379 -1.634 3.929 83 HB3 ALA 11 HB3 ALA 11 6.404 -0.243 3.455 84 H CYS 12 H CYS 12 4.084 -0.935 2.095 85 HA CYS 12 HA CYS 12 2.786 -2.592 3.898 86 HB2 CYS 12 HB2 CYS 12 1.864 -0.467 3.030 87 HB3 CYS 12 HB1 CYS 12 1.685 -1.194 1.447 88 H ARG 13 H ARG 13 3.192 -2.894 0.428 89 HA ARG 13 HA ARG 13 1.669 -5.265 0.128 90 HB2 ARG 13 HB2 ARG 13 3.669 -3.871 -1.624 91 HB3 ARG 13 HB1 ARG 13 2.827 -5.328 -2.122 92 HG2 ARG 13 HG2 ARG 13 0.698 -4.205 -1.961 93 HG3 ARG 13 HG1 ARG 13 1.474 -2.766 -1.300 94 HD2 ARG 13 HD2 ARG 13 0.915 -2.553 -3.693 95 HD3 ARG 13 HD1 ARG 13 2.636 -2.387 -3.371 96 HE ARG 13 HE ARG 13 2.719 -4.837 -4.029 97 HH11 ARG 13 HH11 ARG 13 0.230 -2.684 -5.404 98 HH12 ARG 13 HH12 ARG 13 0.332 -3.362 -6.952 99 HH21 ARG 13 HH21 ARG 13 2.778 -5.783 -6.201 100 HH22 ARG 13 HH22 ARG 13 1.807 -5.116 -7.426 101 H VAL 14 H VAL 14 5.147 -4.599 0.299 102 HA VAL 14 HA VAL 14 6.028 -7.246 0.025 103 HB VAL 14 HB VAL 14 7.370 -5.005 1.582 104 HG11 VAL 14 HG11 VAL 14 8.548 -7.547 0.449 105 HG12 VAL 14 HG12 VAL 14 8.318 -7.183 2.158 106 HG13 VAL 14 3HG1 VAL 14 9.463 -6.242 1.201 107 HG21 VAL 14 HG21 VAL 14 7.715 -5.865 -1.292 108 HG22 VAL 14 HG22 VAL 14 8.674 -4.635 -0.469 109 HG23 VAL 14 HG23 VAL 14 6.949 -4.376 -0.734 110 H ARG 15 H ARG 15 5.157 -5.395 2.911 111 HA ARG 15 HA ARG 15 5.775 -7.239 4.882 112 HB2 ARG 15 HB2 ARG 15 5.096 -4.968 5.405 113 HB3 ARG 15 HB1 ARG 15 3.489 -5.265 4.778 114 HG2 ARG 15 HG2 ARG 15 3.513 -5.250 7.225 115 HG3 ARG 15 HG1 ARG 15 3.043 -6.828 6.599 116 HD2 ARG 15 HD2 ARG 15 4.585 -7.041 8.489 117 HD3 ARG 15 HD1 ARG 15 5.300 -7.670 7.009 118 HE ARG 15 HE ARG 15 6.073 -5.020 7.230 119 HH11 ARG 15 HH11 ARG 15 6.565 -8.030 9.109 120 HH12 ARG 15 HH12 ARG 15 8.101 -7.567 9.642 121 HH21 ARG 15 HH21 ARG 15 8.193 -4.426 8.014 122 HH22 ARG 15 HH22 ARG 15 9.045 -5.487 9.022 123 H CYS 16 H CYS 16 2.797 -6.984 2.962 124 HA CYS 16 HA CYS 16 1.666 -9.189 4.301 125 HB2 CYS 16 HB2 CYS 16 0.853 -7.746 1.818 126 HB3 CYS 16 HB1 CYS 16 0.030 -9.220 2.325 127 H GLN 17 H GLN 17 3.685 -9.014 1.475 128 HA GLN 17 HA GLN 17 3.218 -11.689 0.639 129 HB2 GLN 17 HB2 GLN 17 5.641 -9.921 0.258 130 HB3 GLN 17 HB1 GLN 17 5.377 -11.450 -0.564 131 HG2 GLN 17 HG2 GLN 17 3.392 -10.534 -1.642 132 HG3 GLN 17 HG1 GLN 17 3.649 -9.002 -0.807 133 HE21 GLN 17 1HE2 GLN 17 3.840 -7.895 -2.756 134 HE22 GLN 17 2HE2 GLN 17 5.253 -8.044 -3.740 135 H VAL 18 H VAL 18 5.544 -10.166 2.773 136 HA VAL 18 HA VAL 18 6.967 -12.550 3.360 137 HB VAL 18 HB VAL 18 6.930 -9.904 4.837 138 HG11 VAL 18 HG11 VAL 18 8.878 -12.202 5.064 139 HG12 VAL 18 HG12 VAL 18 7.727 -11.692 6.298 140 HG13 VAL 18 3HG1 VAL 18 9.054 -10.625 5.835 141 HG21 VAL 18 HG21 VAL 18 7.707 -9.694 2.546 142 HG22 VAL 18 HG22 VAL 18 8.848 -11.014 2.793 143 HG23 VAL 18 HG23 VAL 18 9.053 -9.496 3.667 144 H ALA 19 H ALA 19 4.636 -10.643 5.269 145 HA ALA 19 HA ALA 19 4.758 -12.582 7.402 146 HB1 ALA 19 HB1 ALA 19 3.404 -11.037 8.663 147 HB2 ALA 19 HB2 ALA 19 3.100 -10.083 7.213 148 HB3 ALA 19 HB3 ALA 19 4.730 -10.180 7.876 149 H GLU 20 H GLU 20 2.198 -11.417 5.196 150 HA GLU 20 HA GLU 20 0.256 -13.098 6.481 151 HB2 GLU 20 HB2 GLU 20 0.017 -11.670 3.828 152 HB3 GLU 20 HB1 GLU 20 -1.300 -12.361 4.756 153 HG2 GLU 20 HG2 GLU 20 0.411 -10.017 5.558 154 HG3 GLU 20 HG1 GLU 20 -1.247 -9.942 4.969 155 H HIS 21 H HIS 21 1.780 -13.030 3.326 156 HA HIS 21 HA HIS 21 2.249 -14.521 1.743 157 HB2 HIS 21 HB2 HIS 21 3.593 -15.542 3.597 158 HB3 HIS 21 HB1 HIS 21 2.241 -16.614 3.932 159 HD1 HIS 21 HD1 HIS 21 5.290 -16.432 1.988 160 HD2 HIS 21 HD2 HIS 21 1.629 -18.345 1.595 161 HE1 HIS 21 HE1 HIS 21 5.620 -18.238 0.259 162 H GLY 22 H GLY 22 0.684 -14.664 0.345 163 HA2 GLY 22 HA2 GLY 22 -0.748 -16.888 -0.167 164 HA3 GLY 22 HA1 GLY 22 -1.766 -15.975 0.943 165 H VAL 23 H VAL 23 -1.996 -16.633 -1.969 166 HA VAL 23 HA VAL 23 -1.673 -14.256 -3.461 167 HB VAL 23 HB VAL 23 -3.581 -16.576 -3.953 168 HG11 VAL 23 HG11 VAL 23 -2.619 -14.454 -5.865 169 HG12 VAL 23 HG12 VAL 23 -4.246 -14.586 -5.200 170 HG13 VAL 23 3HG1 VAL 23 -3.628 -15.839 -6.279 171 HG21 VAL 23 HG21 VAL 23 -1.233 -17.264 -3.870 172 HG22 VAL 23 HG22 VAL 23 -0.836 -16.058 -5.095 173 HG23 VAL 23 HG23 VAL 23 -1.894 -17.409 -5.496 174 H GLU 24 H GLU 24 -4.532 -15.730 -1.995 175 HA GLU 24 HA GLU 24 -6.324 -13.662 -2.526 176 HB2 GLU 24 HB2 GLU 24 -6.357 -15.561 -0.159 177 HB3 GLU 24 HB1 GLU 24 -7.700 -14.566 -0.673 178 HG2 GLU 24 HG2 GLU 24 -8.211 -16.706 -1.470 179 HG3 GLU 24 HG1 GLU 24 -7.608 -15.844 -2.872 180 H ARG 25 H ARG 25 -4.197 -14.207 0.187 181 HA ARG 25 HA ARG 25 -5.054 -12.039 1.796 182 HB2 ARG 25 HB2 ARG 25 -2.412 -13.495 1.743 183 HB3 ARG 25 HB1 ARG 25 -2.919 -12.389 3.012 184 HG2 ARG 25 HG2 ARG 25 -4.761 -13.844 3.589 185 HG3 ARG 25 HG1 ARG 25 -4.359 -14.928 2.265 186 HD2 ARG 25 HD2 ARG 25 -2.163 -15.343 3.333 187 HD3 ARG 25 HD1 ARG 25 -2.655 -14.316 4.679 188 HE ARG 25 HE ARG 25 -4.525 -16.393 4.157 189 HH11 ARG 25 HH11 ARG 25 -1.413 -15.777 5.747 190 HH12 ARG 25 HH12 ARG 25 -1.617 -16.999 6.899 191 HH21 ARG 25 HH21 ARG 25 -4.751 -18.101 5.702 192 HH22 ARG 25 HH22 ARG 25 -3.536 -18.370 6.872 193 H GLN 26 H GLN 26 -2.477 -12.348 -0.583 194 HA GLN 26 HA GLN 26 -1.369 -9.776 -0.192 195 HB2 GLN 26 HB2 GLN 26 -0.188 -11.711 -1.157 196 HB3 GLN 26 HB1 GLN 26 -1.239 -11.637 -2.555 197 HG2 GLN 26 HG2 GLN 26 -0.296 -9.524 -3.199 198 HG3 GLN 26 HG1 GLN 26 0.672 -9.475 -1.720 199 HE21 GLN 26 1HE2 GLN 26 1.520 -9.515 -4.530 200 HE22 GLN 26 2HE2 GLN 26 2.568 -10.871 -4.652 201 H ARG 27 H ARG 27 -3.734 -11.123 -2.424 202 HA ARG 27 HA ARG 27 -4.163 -8.865 -4.030 203 HB2 ARG 27 HB2 ARG 27 -4.939 -11.132 -4.578 204 HB3 ARG 27 HB1 ARG 27 -6.070 -11.068 -3.241 205 HG2 ARG 27 HG2 ARG 27 -7.302 -9.294 -4.337 206 HG3 ARG 27 HG1 ARG 27 -6.139 -9.287 -5.669 207 HD2 ARG 27 HD2 ARG 27 -7.873 -11.607 -4.843 208 HD3 ARG 27 HD1 ARG 27 -8.145 -10.559 -6.236 209 HE ARG 27 HE ARG 27 -5.753 -11.380 -6.808 210 HH11 ARG 27 HH11 ARG 27 -8.413 -13.365 -5.534 211 HH12 ARG 27 HH12 ARG 27 -7.845 -14.799 -6.269 212 HH21 ARG 27 HH21 ARG 27 -5.028 -13.366 -7.818 213 HH22 ARG 27 HH22 ARG 27 -5.909 -14.802 -7.584 214 H ARG 28 H ARG 28 -5.602 -9.920 -1.009 215 HA ARG 28 HA ARG 28 -7.467 -7.830 -0.724 216 HB2 ARG 28 HB2 ARG 28 -7.652 -9.844 0.607 217 HB3 ARG 28 HB1 ARG 28 -6.076 -9.570 1.327 218 HG2 ARG 28 HG2 ARG 28 -7.831 -9.046 2.905 219 HG3 ARG 28 HG1 ARG 28 -6.956 -7.581 2.462 220 HD2 ARG 28 HD2 ARG 28 -8.754 -7.016 0.877 221 HD3 ARG 28 HD1 ARG 28 -9.634 -8.459 1.384 222 HE ARG 28 HE ARG 28 -9.175 -7.153 3.696 223 HH11 ARG 28 HH11 ARG 28 -10.711 -6.210 0.635 224 HH12 ARG 28 HH12 ARG 28 -11.736 -5.056 1.330 225 HH21 ARG 28 HH21 ARG 28 -10.618 -5.533 4.660 226 HH22 ARG 28 HH22 ARG 28 -11.672 -4.650 3.666 227 H CYS 29 H CYS 29 -4.185 -8.259 0.620 228 HA CYS 29 HA CYS 29 -4.008 -5.843 1.929 229 HB2 CYS 29 HB2 CYS 29 -1.934 -7.646 0.776 230 HB3 CYS 29 HB1 CYS 29 -1.506 -6.140 1.569 231 H GLN 30 H GLN 30 -3.108 -6.562 -1.453 232 HA GLN 30 HA GLN 30 -1.877 -4.080 -1.874 233 HB2 GLN 30 HB2 GLN 30 -1.944 -4.570 -4.249 234 HB3 GLN 30 HB1 GLN 30 -1.595 -6.041 -3.370 235 HG2 GLN 30 HG2 GLN 30 -3.929 -6.726 -3.614 236 HG3 GLN 30 HG1 GLN 30 -4.245 -5.258 -4.536 237 HE21 GLN 30 1HE2 GLN 30 -3.320 -5.034 -6.575 238 HE22 GLN 30 2HE2 GLN 30 -2.775 -6.399 -7.467 239 H GLN 31 H GLN 31 -5.223 -5.011 -1.970 240 HA GLN 31 HA GLN 31 -6.220 -2.655 -3.222 241 HB2 GLN 31 HB2 GLN 31 -7.492 -4.739 -3.162 242 HB3 GLN 31 HB1 GLN 31 -7.549 -4.681 -1.409 243 HG2 GLN 31 HG2 GLN 31 -8.879 -2.630 -1.542 244 HG3 GLN 31 HG1 GLN 31 -8.842 -2.737 -3.302 245 HE21 GLN 31 1HE2 GLN 31 -10.066 -4.290 -4.322 246 HE22 GLN 31 2HE2 GLN 31 -11.319 -5.155 -3.523 247 H VAL 32 H VAL 32 -5.690 -3.717 0.073 248 HA VAL 32 HA VAL 32 -6.797 -1.474 1.394 249 HB VAL 32 HB VAL 32 -4.642 -3.374 2.372 250 HG11 VAL 32 HG11 VAL 32 -5.366 -2.722 4.627 251 HG12 VAL 32 HG12 VAL 32 -6.462 -1.536 3.918 252 HG13 VAL 32 3HG1 VAL 32 -4.722 -1.358 3.715 253 HG21 VAL 32 HG21 VAL 32 -6.662 -4.574 1.734 254 HG22 VAL 32 HG22 VAL 32 -7.635 -3.495 2.730 255 HG23 VAL 32 HG23 VAL 32 -6.466 -4.578 3.486 256 H CYS 33 H CYS 33 -3.475 -2.337 0.516 257 HA CYS 33 HA CYS 33 -2.199 -0.084 1.560 258 HB2 CYS 33 HB2 CYS 33 -1.346 -1.718 -0.843 259 HB3 CYS 33 HB1 CYS 33 -0.309 -0.666 0.113 260 H GLU 34 H GLU 34 -3.677 -0.614 -1.621 261 HA GLU 34 HA GLU 34 -2.820 1.798 -2.823 262 HB2 GLU 34 HB2 GLU 34 -3.751 -0.212 -4.004 263 HB3 GLU 34 HB1 GLU 34 -5.331 0.197 -3.361 264 HG2 GLU 34 HG2 GLU 34 -5.275 0.968 -5.587 265 HG3 GLU 34 HG1 GLU 34 -5.141 2.389 -4.557 266 H LYS 35 H LYS 35 -5.645 0.859 -0.947 267 HA LYS 35 HA LYS 35 -7.157 3.223 -1.270 268 HB2 LYS 35 HB2 LYS 35 -8.018 0.995 -0.448 269 HB3 LYS 35 HB1 LYS 35 -7.247 1.345 1.086 270 HG2 LYS 35 HG2 LYS 35 -8.665 3.327 1.359 271 HG3 LYS 35 HG1 LYS 35 -9.445 2.978 -0.185 272 HD2 LYS 35 HD2 LYS 35 -10.906 2.102 1.454 273 HD3 LYS 35 HD1 LYS 35 -10.043 0.711 0.806 274 HE2 LYS 35 HE2 LYS 35 -10.115 0.449 3.163 275 HE3 LYS 35 HE1 LYS 35 -8.467 0.911 2.759 276 HZ1 LYS 35 HZ1 LYS 35 -10.560 2.767 3.749 277 HZ2 LYS 35 HZ2 LYS 35 -8.924 3.178 3.519 278 HZ3 LYS 35 HZ3 LYS 35 -9.364 2.082 4.693 279 H ARG 36 H ARG 36 -5.016 2.129 1.335 280 HA ARG 36 HA ARG 36 -5.389 4.435 2.937 281 HB2 ARG 36 HB2 ARG 36 -3.052 2.514 2.999 282 HB3 ARG 36 HB1 ARG 36 -3.481 3.656 4.268 283 HG2 ARG 36 HG2 ARG 36 -5.731 2.443 4.338 284 HG3 ARG 36 HG1 ARG 36 -4.942 1.203 3.386 285 HD2 ARG 36 HD2 ARG 36 -4.001 2.160 6.085 286 HD3 ARG 36 HD1 ARG 36 -4.939 0.706 5.796 287 HE ARG 36 HE ARG 36 -2.328 1.028 4.523 288 HH11 ARG 36 HH11 ARG 36 -4.450 -0.763 6.774 289 HH12 ARG 36 HH12 ARG 36 -3.292 -1.934 7.157 290 HH21 ARG 36 HH21 ARG 36 -0.715 -0.632 5.098 291 HH22 ARG 36 HH22 ARG 36 -1.156 -1.851 6.206 292 H LEU 37 H LEU 37 -3.131 3.630 0.433 293 HA LEU 37 HA LEU 37 -1.382 5.801 0.723 294 HB2 LEU 37 HB2 LEU 37 -0.985 3.715 -0.603 295 HB3 LEU 37 HB1 LEU 37 -2.172 4.246 -1.759 296 HG LEU 37 HG LEU 37 0.223 4.447 -2.471 297 HD11 LEU 37 HD11 LEU 37 -1.323 7.016 -2.442 298 HD12 LEU 37 HD12 LEU 37 -1.477 5.697 -3.606 299 HD13 LEU 37 HD13 LEU 37 0.023 6.614 -3.514 300 HD21 LEU 37 HD21 LEU 37 1.531 6.333 -1.639 301 HD22 LEU 37 HD22 LEU 37 1.198 5.151 -0.372 302 HD23 LEU 37 HD23 LEU 37 0.286 6.659 -0.434 303 H ARG 38 H ARG 38 -4.377 5.344 -1.098 304 HA ARG 38 HA ARG 38 -4.411 7.872 -2.394 305 HB2 ARG 38 HB2 ARG 38 -5.736 5.870 -3.098 306 HB3 ARG 38 HB1 ARG 38 -6.756 6.119 -1.695 307 HG2 ARG 38 HG2 ARG 38 -7.290 8.394 -2.578 308 HG3 ARG 38 HG1 ARG 38 -6.440 7.943 -4.060 309 HD2 ARG 38 HD2 ARG 38 -8.785 7.534 -4.363 310 HD3 ARG 38 HD1 ARG 38 -7.936 5.992 -4.255 311 HE ARG 38 HE ARG 38 -9.066 7.065 -1.813 312 HH11 ARG 38 HH11 ARG 38 -9.400 4.748 -4.468 313 HH12 ARG 38 HH12 ARG 38 -10.535 3.774 -3.656 314 HH21 ARG 38 HH21 ARG 38 -10.637 5.709 -0.690 315 HH22 ARG 38 HH22 ARG 38 -11.262 4.349 -1.485 316 H GLU 39 H GLU 39 -5.834 6.653 0.600 317 HA GLU 39 HA GLU 39 -7.332 8.916 1.309 318 HB2 GLU 39 HB2 GLU 39 -5.969 6.879 3.072 319 HB3 GLU 39 HB1 GLU 39 -7.098 8.085 3.661 320 HG2 GLU 39 HG2 GLU 39 -8.847 7.112 2.240 321 HG3 GLU 39 HG1 GLU 39 -7.702 5.881 1.704 322 H ARG 40 H ARG 40 -3.996 8.071 1.857 323 HA ARG 40 HA ARG 40 -3.275 10.248 3.474 324 HB2 ARG 40 HB2 ARG 40 -2.001 8.147 3.197 325 HB3 ARG 40 HB1 ARG 40 -1.593 8.626 1.564 326 HG2 ARG 40 HG2 ARG 40 -0.331 10.518 2.429 327 HG3 ARG 40 HG1 ARG 40 -0.778 10.070 4.074 328 HD2 ARG 40 HD2 ARG 40 0.294 7.880 3.746 329 HD3 ARG 40 HD1 ARG 40 0.824 8.394 2.147 330 HE ARG 40 HE ARG 40 1.930 10.274 3.507 331 HH11 ARG 40 HH11 ARG 40 1.663 6.877 4.493 332 HH12 ARG 40 HH12 ARG 40 3.047 6.896 5.473 333 HH21 ARG 40 HH21 ARG 40 3.829 10.306 4.836 334 HH22 ARG 40 HH22 ARG 40 4.308 8.914 5.709 335 H GLU 41 H GLU 41 -3.491 9.836 -0.017 336 HA GLU 41 HA GLU 41 -2.246 12.289 -0.760 337 HB2 GLU 41 HB2 GLU 41 -4.325 10.719 -2.284 338 HB3 GLU 41 HB1 GLU 41 -3.253 11.942 -2.953 339 HG2 GLU 41 HG2 GLU 41 -1.347 10.542 -2.412 340 HG3 GLU 41 HG1 GLU 41 -2.440 9.312 -1.776 341 H GLY 42 H GLY 42 -5.407 11.430 0.308 342 HA2 GLY 42 HA2 GLY 42 -6.606 13.952 -0.439 343 HA3 GLY 42 HA1 GLY 42 -7.347 12.697 0.551 344 H ARG 43 H ARG 43 -4.899 12.627 2.199 345 HA ARG 43 HA ARG 43 -5.686 14.581 4.141 346 HB2 ARG 43 HB2 ARG 43 -4.993 12.393 4.904 347 HB3 ARG 43 HB1 ARG 43 -3.437 12.568 4.110 348 HG2 ARG 43 HG2 ARG 43 -2.887 14.416 5.633 349 HG3 ARG 43 HG1 ARG 43 -4.429 14.178 6.455 350 HD2 ARG 43 HD2 ARG 43 -3.782 11.968 7.125 351 HD3 ARG 43 HD1 ARG 43 -2.298 12.072 6.173 352 HE ARG 43 HE ARG 43 -2.374 14.184 7.983 353 HH11 ARG 43 HH11 ARG 43 -2.062 10.659 8.037 354 HH12 ARG 43 HH12 ARG 43 -1.064 10.619 9.409 355 HH21 ARG 43 HH21 ARG 43 -0.992 14.147 9.872 356 HH22 ARG 43 HH22 ARG 43 -0.436 12.665 10.479 357 H ARG 44 H ARG 44 -2.800 14.036 2.137 358 HA ARG 44 HA ARG 44 -1.742 16.565 3.075 359 HB2 ARG 44 HB2 ARG 44 -0.210 14.605 2.851 360 HB3 ARG 44 HB1 ARG 44 -0.488 14.630 1.113 361 HG2 ARG 44 HG2 ARG 44 0.437 16.892 0.994 362 HG3 ARG 44 HG1 ARG 44 0.723 16.863 2.729 363 HD2 ARG 44 HD2 ARG 44 2.247 14.948 2.406 364 HD3 ARG 44 HD1 ARG 44 1.998 15.078 0.663 365 HE ARG 44 HE ARG 44 2.751 17.569 1.664 366 HH11 ARG 44 HH11 ARG 44 4.173 14.412 0.962 367 HH12 ARG 44 HH12 ARG 44 5.774 14.982 0.845 368 HH21 ARG 44 HH21 ARG 44 4.965 18.372 1.511 369 HH22 ARG 44 HH22 ARG 44 6.225 17.296 1.153 370 H GLU 45 H GLU 45 -1.634 18.353 1.914 371 HA GLU 45 HA GLU 45 -3.227 18.518 -0.484 372 HB2 GLU 45 HB2 GLU 45 -1.739 20.602 1.111 373 HB3 GLU 45 HB1 GLU 45 -2.759 20.951 -0.278 374 HG2 GLU 45 HG2 GLU 45 -3.667 19.696 2.301 375 HG3 GLU 45 HG1 GLU 45 -3.911 21.378 1.826 376 H VAL 46 H VAL 46 -2.277 19.942 -2.307 377 HA VAL 46 HA VAL 46 0.412 18.957 -2.863 378 HB VAL 46 HB VAL 46 -0.018 19.530 -5.265 379 HG11 VAL 46 HG11 VAL 46 -1.980 17.623 -4.013 380 HG12 VAL 46 HG12 VAL 46 -0.323 17.256 -4.495 381 HG13 VAL 46 3HG1 VAL 46 -1.532 17.652 -5.717 382 HG21 VAL 46 HG21 VAL 46 -2.308 19.958 -6.013 383 HG22 VAL 46 HG22 VAL 46 -1.753 21.235 -4.926 384 HG23 VAL 46 HG23 VAL 46 -2.854 19.991 -4.340 385 H ASP 47 H ASP 47 1.983 20.305 -3.776 386 HA ASP 47 HA ASP 47 1.633 23.145 -3.138 387 HB2 ASP 47 HB2 ASP 47 4.096 21.427 -2.697 388 HB3 ASP 47 HB1 ASP 47 4.020 23.165 -2.468 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 13.601 9.935 2.970 2 H3 PRO 1 HT2 PRO 1 13.924 10.479 4.473 3 HA PRO 1 HA PRO 1 13.782 12.466 3.901 4 HB2 PRO 1 HB2 PRO 1 14.983 12.256 1.211 5 HB3 PRO 1 HB1 PRO 1 15.322 13.414 2.505 6 HG2 PRO 1 HG2 PRO 1 16.988 11.356 1.928 7 HG3 PRO 1 HG1 PRO 1 16.805 12.023 3.558 8 HD2 PRO 1 HD2 PRO 1 15.787 9.457 2.445 9 HD3 PRO 1 HD1 PRO 1 16.209 9.874 4.112 10 H ARG 2 H ARG 2 12.780 13.729 1.897 11 HA ARG 2 HA ARG 2 11.090 14.057 0.420 12 HB2 ARG 2 HB2 ARG 2 11.118 11.072 -0.064 13 HB3 ARG 2 HB1 ARG 2 10.287 12.258 -1.040 14 HG2 ARG 2 HG2 ARG 2 12.443 13.174 -1.750 15 HG3 ARG 2 HG1 ARG 2 13.269 11.981 -0.740 16 HD2 ARG 2 HD2 ARG 2 11.483 11.425 -3.115 17 HD3 ARG 2 HD1 ARG 2 13.224 11.175 -3.023 18 HE ARG 2 HE ARG 2 11.856 9.719 -0.998 19 HH11 ARG 2 HH11 ARG 2 12.752 9.549 -4.421 20 HH12 ARG 2 HH12 ARG 2 12.510 7.878 -4.547 21 HH21 ARG 2 HH21 ARG 2 11.522 7.386 -1.181 22 HH22 ARG 2 HH22 ARG 2 11.809 6.626 -2.672 23 H GLY 3 H GLY 3 8.770 13.196 -0.055 24 HA2 GLY 3 HA2 GLY 3 7.602 12.117 2.410 25 HA3 GLY 3 HA1 GLY 3 6.787 13.277 1.345 26 H SER 4 H SER 4 8.107 10.049 1.531 27 HA SER 4 HA SER 4 7.028 9.356 -1.063 28 HB2 SER 4 HB2 SER 4 8.734 7.746 0.819 29 HB3 SER 4 HB1 SER 4 8.481 7.461 -0.902 30 HG SER 4 HG SER 4 9.369 9.563 -1.234 31 HA PRO 5 HA PRO 5 3.873 7.011 1.215 32 HB2 PRO 5 HB2 PRO 5 1.785 7.597 -0.393 33 HB3 PRO 5 HB1 PRO 5 2.342 8.685 0.877 34 HG2 PRO 5 HG2 PRO 5 2.565 8.962 -2.034 35 HG3 PRO 5 HG1 PRO 5 2.724 10.195 -0.776 36 HD2 PRO 5 HD2 PRO 5 4.809 8.784 -2.204 37 HD3 PRO 5 HD1 PRO 5 4.970 10.111 -1.036 38 H ARG 6 H ARG 6 4.971 6.882 -2.084 39 HA ARG 6 HA ARG 6 3.329 4.686 -2.918 40 HB2 ARG 6 HB2 ARG 6 5.894 5.744 -4.135 41 HB3 ARG 6 HB1 ARG 6 4.861 4.532 -4.865 42 HG2 ARG 6 HG2 ARG 6 3.026 6.129 -4.967 43 HG3 ARG 6 HG1 ARG 6 4.057 7.356 -4.231 44 HD2 ARG 6 HD2 ARG 6 5.556 7.272 -6.142 45 HD3 ARG 6 HD1 ARG 6 4.597 5.979 -6.863 46 HE ARG 6 HE ARG 6 2.875 8.064 -6.377 47 HH11 ARG 6 HH11 ARG 6 5.765 7.589 -8.405 48 HH12 ARG 6 HH12 ARG 6 5.243 8.649 -9.618 49 HH21 ARG 6 HH21 ARG 6 2.182 9.545 -8.094 50 HH22 ARG 6 HH22 ARG 6 3.190 9.758 -9.453 51 H THR 7 H THR 7 6.369 5.048 -1.342 52 HA THR 7 HA THR 7 7.286 2.410 -1.623 53 HB THR 7 HB THR 7 8.656 3.242 0.402 54 HG1 THR 7 HG1 THR 7 8.302 5.265 0.975 55 HG21 THR 7 HG21 THR 7 10.017 4.678 -1.094 56 HG22 THR 7 HG22 THR 7 8.681 4.679 -2.251 57 HG23 THR 7 HG23 THR 7 9.526 3.177 -1.878 58 H GLU 8 H GLU 8 5.305 4.175 0.693 59 HA GLU 8 HA GLU 8 5.141 2.217 2.725 60 HB2 GLU 8 HB2 GLU 8 3.134 4.321 1.897 61 HB3 GLU 8 HB1 GLU 8 3.037 3.380 3.373 62 HG2 GLU 8 HG2 GLU 8 5.108 4.385 4.158 63 HG3 GLU 8 HG1 GLU 8 5.230 5.302 2.654 64 H TYR 9 H TYR 9 3.092 2.973 -0.058 65 HA TYR 9 HA TYR 9 1.239 0.949 0.329 66 HB2 TYR 9 HB2 TYR 9 0.486 2.627 -1.053 67 HB3 TYR 9 HB1 TYR 9 2.039 2.814 -1.847 68 HD1 TYR 9 HD1 TYR 9 -0.981 0.692 -1.689 69 HD2 TYR 9 HD2 TYR 9 2.492 1.798 -3.750 70 HE1 TYR 9 HE1 TYR 9 -1.748 -0.631 -3.619 71 HE2 TYR 9 HE2 TYR 9 1.796 0.497 -5.723 72 HH TYR 9 HH TYR 9 -1.389 -0.718 -6.038 73 H GLU 10 H GLU 10 4.241 1.069 -1.547 74 HA GLU 10 HA GLU 10 4.050 -1.532 -2.594 75 HB2 GLU 10 HB2 GLU 10 5.567 0.165 -3.510 76 HB3 GLU 10 HB1 GLU 10 6.504 0.138 -2.026 77 HG2 GLU 10 HG2 GLU 10 7.153 -2.165 -2.458 78 HG3 GLU 10 HG1 GLU 10 6.157 -2.162 -3.916 79 H ALA 11 H ALA 11 5.552 -0.273 0.367 80 HA ALA 11 HA ALA 11 6.711 -2.628 1.299 81 HB1 ALA 11 HB1 ALA 11 7.175 -0.405 2.256 82 HB2 ALA 11 HB2 ALA 11 6.722 -1.574 3.494 83 HB3 ALA 11 HB3 ALA 11 5.552 -0.377 2.941 84 H CYS 12 H CYS 12 3.477 -1.356 1.678 85 HA CYS 12 HA CYS 12 2.391 -3.194 3.442 86 HB2 CYS 12 HB2 CYS 12 1.147 -1.235 2.716 87 HB3 CYS 12 HB1 CYS 12 1.117 -1.835 1.066 88 H ARG 13 H ARG 13 2.869 -3.440 -0.028 89 HA ARG 13 HA ARG 13 1.459 -5.873 -0.434 90 HB2 ARG 13 HB2 ARG 13 3.712 -4.673 -2.054 91 HB3 ARG 13 HB1 ARG 13 2.598 -5.913 -2.602 92 HG2 ARG 13 HG2 ARG 13 0.754 -4.345 -2.490 93 HG3 ARG 13 HG1 ARG 13 1.822 -3.103 -1.834 94 HD2 ARG 13 HD2 ARG 13 1.502 -2.702 -4.187 95 HD3 ARG 13 HD1 ARG 13 3.161 -3.223 -3.910 96 HE ARG 13 HE ARG 13 1.295 -5.314 -4.631 97 HH11 ARG 13 HH11 ARG 13 3.744 -3.037 -5.841 98 HH12 ARG 13 HH12 ARG 13 3.932 -3.850 -7.311 99 HH21 ARG 13 HH21 ARG 13 1.543 -6.359 -6.637 100 HH22 ARG 13 HH22 ARG 13 2.668 -5.789 -7.791 101 H VAL 14 H VAL 14 4.850 -5.025 -0.038 102 HA VAL 14 HA VAL 14 5.909 -7.639 -0.238 103 HB VAL 14 HB VAL 14 7.142 -5.249 1.155 104 HG11 VAL 14 HG11 VAL 14 8.423 -7.672 -0.103 105 HG12 VAL 14 HG12 VAL 14 8.301 -7.339 1.624 106 HG13 VAL 14 3HG1 VAL 14 9.282 -6.297 0.591 107 HG21 VAL 14 HG21 VAL 14 6.447 -4.660 -1.100 108 HG22 VAL 14 HG22 VAL 14 7.304 -6.059 -1.745 109 HG23 VAL 14 HG23 VAL 14 8.202 -4.743 -0.987 110 H ARG 15 H ARG 15 4.957 -5.652 2.515 111 HA ARG 15 HA ARG 15 5.852 -7.298 4.573 112 HB2 ARG 15 HB2 ARG 15 5.075 -5.000 4.954 113 HB3 ARG 15 HB1 ARG 15 3.443 -5.462 4.510 114 HG2 ARG 15 HG2 ARG 15 3.667 -5.241 6.922 115 HG3 ARG 15 HG1 ARG 15 3.311 -6.909 6.476 116 HD2 ARG 15 HD2 ARG 15 5.680 -7.471 6.702 117 HD3 ARG 15 HD1 ARG 15 6.035 -5.800 7.151 118 HE ARG 15 HE ARG 15 4.241 -6.429 8.978 119 HH11 ARG 15 HH11 ARG 15 7.071 -8.280 7.920 120 HH12 ARG 15 HH12 ARG 15 7.226 -9.101 9.415 121 HH21 ARG 15 HH21 ARG 15 4.502 -7.516 10.967 122 HH22 ARG 15 HH22 ARG 15 5.774 -8.664 11.174 123 H CYS 16 H CYS 16 2.671 -7.210 2.980 124 HA CYS 16 HA CYS 16 1.805 -9.477 4.451 125 HB2 CYS 16 HB2 CYS 16 0.598 -8.066 2.089 126 HB3 CYS 16 HB1 CYS 16 -0.165 -9.429 2.908 127 H GLN 17 H GLN 17 3.560 -9.102 1.546 128 HA GLN 17 HA GLN 17 3.048 -11.537 0.270 129 HB2 GLN 17 HB2 GLN 17 4.360 -9.624 -0.654 130 HB3 GLN 17 HB1 GLN 17 5.659 -10.021 0.452 131 HG2 GLN 17 HG2 GLN 17 5.939 -12.179 -0.659 132 HG3 GLN 17 HG1 GLN 17 4.629 -11.769 -1.768 133 HE21 GLN 17 1HE2 GLN 17 5.864 -11.803 -3.583 134 HE22 GLN 17 2HE2 GLN 17 7.075 -10.627 -3.940 135 H VAL 18 H VAL 18 5.314 -10.622 2.792 136 HA VAL 18 HA VAL 18 6.158 -13.373 3.064 137 HB VAL 18 HB VAL 18 7.919 -11.695 3.030 138 HG11 VAL 18 HG11 VAL 18 8.259 -10.093 4.842 139 HG12 VAL 18 HG12 VAL 18 6.707 -10.562 5.537 140 HG13 VAL 18 3HG1 VAL 18 6.765 -9.787 3.954 141 HG21 VAL 18 HG21 VAL 18 9.156 -12.337 5.043 142 HG22 VAL 18 HG22 VAL 18 8.346 -13.715 4.295 143 HG23 VAL 18 HG23 VAL 18 7.666 -12.972 5.743 144 H ALA 19 H ALA 19 4.431 -10.945 5.028 145 HA ALA 19 HA ALA 19 4.375 -12.646 7.326 146 HB1 ALA 19 HB1 ALA 19 2.777 -10.145 6.826 147 HB2 ALA 19 HB2 ALA 19 4.389 -10.200 7.537 148 HB3 ALA 19 HB3 ALA 19 3.027 -10.939 8.380 149 H GLU 20 H GLU 20 1.981 -11.829 4.855 150 HA GLU 20 HA GLU 20 -0.022 -13.419 6.195 151 HB2 GLU 20 HB2 GLU 20 -0.027 -12.055 3.503 152 HB3 GLU 20 HB1 GLU 20 -1.377 -12.985 4.136 153 HG2 GLU 20 HG2 GLU 20 -0.208 -10.511 5.392 154 HG3 GLU 20 HG1 GLU 20 -1.689 -10.581 4.433 155 H HIS 21 H HIS 21 1.883 -13.577 3.257 156 HA HIS 21 HA HIS 21 2.530 -15.231 1.898 157 HB2 HIS 21 HB2 HIS 21 3.573 -16.132 3.977 158 HB3 HIS 21 HB1 HIS 21 2.100 -17.018 4.322 159 HD1 HIS 21 HD1 HIS 21 1.996 -19.364 3.405 160 HD2 HIS 21 HD2 HIS 21 4.958 -17.078 1.607 161 HE1 HIS 21 HE1 HIS 21 3.324 -20.956 1.969 162 H GLY 22 H GLY 22 0.747 -14.873 0.597 163 HA2 GLY 22 HA2 GLY 22 -0.685 -17.015 -0.279 164 HA3 GLY 22 HA1 GLY 22 -1.719 -16.215 0.912 165 H VAL 23 H VAL 23 -1.925 -16.401 -2.057 166 HA VAL 23 HA VAL 23 -1.117 -13.951 -3.211 167 HB VAL 23 HB VAL 23 -3.299 -15.815 -4.193 168 HG11 VAL 23 HG11 VAL 23 -3.414 -13.634 -5.263 169 HG12 VAL 23 HG12 VAL 23 -2.836 -14.849 -6.405 170 HG13 VAL 23 3HG1 VAL 23 -1.700 -13.722 -5.666 171 HG21 VAL 23 HG21 VAL 23 -1.173 -16.992 -3.918 172 HG22 VAL 23 HG22 VAL 23 -0.363 -15.752 -4.875 173 HG23 VAL 23 HG23 VAL 23 -1.570 -16.790 -5.624 174 H GLU 24 H GLU 24 -4.287 -15.029 -1.993 175 HA GLU 24 HA GLU 24 -5.538 -12.592 -2.730 176 HB2 GLU 24 HB2 GLU 24 -6.927 -14.533 -2.562 177 HB3 GLU 24 HB1 GLU 24 -6.432 -14.816 -0.900 178 HG2 GLU 24 HG2 GLU 24 -7.533 -12.758 -0.216 179 HG3 GLU 24 HG1 GLU 24 -8.021 -12.463 -1.882 180 H ARG 25 H ARG 25 -4.161 -13.831 0.233 181 HA ARG 25 HA ARG 25 -5.019 -11.698 1.879 182 HB2 ARG 25 HB2 ARG 25 -2.668 -13.565 2.223 183 HB3 ARG 25 HB1 ARG 25 -3.255 -12.455 3.456 184 HG2 ARG 25 HG2 ARG 25 -5.358 -13.607 3.574 185 HG3 ARG 25 HG1 ARG 25 -4.907 -14.652 2.234 186 HD2 ARG 25 HD2 ARG 25 -4.637 -15.835 4.328 187 HD3 ARG 25 HD1 ARG 25 -3.064 -15.550 3.589 188 HE ARG 25 HE ARG 25 -3.505 -13.441 5.328 189 HH11 ARG 25 HH11 ARG 25 -3.120 -16.947 5.599 190 HH12 ARG 25 HH12 ARG 25 -2.489 -16.888 7.178 191 HH21 ARG 25 HH21 ARG 25 -2.656 -13.365 7.430 192 HH22 ARG 25 HH22 ARG 25 -2.230 -14.795 8.284 193 H GLN 26 H GLN 26 -2.152 -12.152 -0.078 194 HA GLN 26 HA GLN 26 -0.778 -9.816 0.760 195 HB2 GLN 26 HB2 GLN 26 0.285 -11.741 -0.377 196 HB3 GLN 26 HB1 GLN 26 -0.598 -11.340 -1.839 197 HG2 GLN 26 HG2 GLN 26 0.572 -9.186 -1.929 198 HG3 GLN 26 HG1 GLN 26 1.490 -9.646 -0.495 199 HE21 GLN 26 1HE2 GLN 26 2.471 -9.030 -3.110 200 HE22 GLN 26 2HE2 GLN 26 3.320 -10.418 -3.672 201 H ARG 27 H ARG 27 -2.941 -10.574 -1.943 202 HA ARG 27 HA ARG 27 -2.777 -7.985 -3.063 203 HB2 ARG 27 HB2 ARG 27 -3.334 -9.949 -4.410 204 HB3 ARG 27 HB1 ARG 27 -4.832 -10.143 -3.518 205 HG2 ARG 27 HG2 ARG 27 -5.753 -8.172 -4.457 206 HG3 ARG 27 HG1 ARG 27 -4.190 -7.677 -5.113 207 HD2 ARG 27 HD2 ARG 27 -5.747 -10.122 -5.935 208 HD3 ARG 27 HD1 ARG 27 -5.615 -8.618 -6.856 209 HE ARG 27 HE ARG 27 -3.061 -9.259 -6.466 210 HH11 ARG 27 HH11 ARG 27 -5.748 -11.130 -7.794 211 HH12 ARG 27 HH12 ARG 27 -4.748 -12.140 -8.724 212 HH21 ARG 27 HH21 ARG 27 -1.715 -10.611 -7.727 213 HH22 ARG 27 HH22 ARG 27 -2.389 -11.841 -8.683 214 H ARG 28 H ARG 28 -4.787 -9.451 -0.665 215 HA ARG 28 HA ARG 28 -6.813 -7.560 -0.493 216 HB2 ARG 28 HB2 ARG 28 -6.813 -9.684 0.790 217 HB3 ARG 28 HB1 ARG 28 -5.480 -9.090 1.764 218 HG2 ARG 28 HG2 ARG 28 -7.589 -8.925 2.972 219 HG3 ARG 28 HG1 ARG 28 -6.919 -7.324 2.662 220 HD2 ARG 28 HD2 ARG 28 -8.420 -7.065 0.756 221 HD3 ARG 28 HD1 ARG 28 -9.090 -8.669 1.057 222 HE ARG 28 HE ARG 28 -9.590 -7.551 3.362 223 HH11 ARG 28 HH11 ARG 28 -9.939 -6.133 0.135 224 HH12 ARG 28 HH12 ARG 28 -11.248 -5.136 0.551 225 HH21 ARG 28 HH21 ARG 28 -11.350 -6.157 3.963 226 HH22 ARG 28 HH22 ARG 28 -12.085 -5.134 2.809 227 H CYS 29 H CYS 29 -3.671 -7.700 1.206 228 HA CYS 29 HA CYS 29 -3.833 -5.202 2.419 229 HB2 CYS 29 HB2 CYS 29 -1.430 -6.733 1.446 230 HB3 CYS 29 HB1 CYS 29 -1.368 -5.333 2.505 231 H GLN 30 H GLN 30 -2.460 -6.190 -0.700 232 HA GLN 30 HA GLN 30 -1.438 -3.809 -1.639 233 HB2 GLN 30 HB2 GLN 30 -1.221 -5.974 -2.806 234 HB3 GLN 30 HB1 GLN 30 -2.931 -5.919 -3.203 235 HG2 GLN 30 HG2 GLN 30 -2.531 -3.913 -4.572 236 HG3 GLN 30 HG1 GLN 30 -0.810 -4.033 -4.212 237 HE21 GLN 30 1HE2 GLN 30 -3.468 -5.454 -5.931 238 HE22 GLN 30 2HE2 GLN 30 -2.528 -6.443 -6.970 239 H GLN 31 H GLN 31 -4.760 -5.002 -1.944 240 HA GLN 31 HA GLN 31 -5.710 -2.743 -3.374 241 HB2 GLN 31 HB2 GLN 31 -6.713 -5.016 -3.503 242 HB3 GLN 31 HB1 GLN 31 -7.292 -4.821 -1.856 243 HG2 GLN 31 HG2 GLN 31 -9.076 -4.391 -3.422 244 HG3 GLN 31 HG1 GLN 31 -8.647 -2.915 -2.558 245 HE21 GLN 31 1HE2 GLN 31 -6.805 -4.279 -5.220 246 HE22 GLN 31 2HE2 GLN 31 -7.098 -3.006 -6.328 247 H VAL 32 H VAL 32 -5.956 -3.706 0.058 248 HA VAL 32 HA VAL 32 -7.591 -1.554 0.867 249 HB VAL 32 HB VAL 32 -5.593 -3.157 2.514 250 HG11 VAL 32 HG11 VAL 32 -6.119 -1.019 3.607 251 HG12 VAL 32 HG12 VAL 32 -6.815 -2.381 4.487 252 HG13 VAL 32 3HG1 VAL 32 -7.841 -1.376 3.464 253 HG21 VAL 32 HG21 VAL 32 -7.573 -4.381 3.288 254 HG22 VAL 32 HG22 VAL 32 -7.353 -4.522 1.546 255 HG23 VAL 32 HG23 VAL 32 -8.579 -3.434 2.191 256 H CYS 33 H CYS 33 -4.082 -1.947 0.894 257 HA CYS 33 HA CYS 33 -3.576 0.634 1.896 258 HB2 CYS 33 HB2 CYS 33 -1.807 -1.335 0.454 259 HB3 CYS 33 HB1 CYS 33 -1.210 0.166 1.147 260 H GLU 34 H GLU 34 -4.108 -0.615 -1.328 261 HA GLU 34 HA GLU 34 -3.116 1.621 -2.734 262 HB2 GLU 34 HB2 GLU 34 -3.670 -0.665 -3.727 263 HB3 GLU 34 HB1 GLU 34 -5.350 -0.219 -3.582 264 HG2 GLU 34 HG2 GLU 34 -5.212 1.416 -5.219 265 HG3 GLU 34 HG1 GLU 34 -3.452 1.493 -5.123 266 H LYS 35 H LYS 35 -6.283 0.752 -1.468 267 HA LYS 35 HA LYS 35 -7.691 3.010 -2.335 268 HB2 LYS 35 HB2 LYS 35 -8.853 1.103 -1.357 269 HB3 LYS 35 HB1 LYS 35 -8.072 1.384 0.194 270 HG2 LYS 35 HG2 LYS 35 -9.212 3.566 0.351 271 HG3 LYS 35 HG1 LYS 35 -10.041 3.232 -1.163 272 HD2 LYS 35 HD2 LYS 35 -10.265 1.604 1.371 273 HD3 LYS 35 HD1 LYS 35 -11.446 2.782 0.808 274 HE2 LYS 35 HE2 LYS 35 -11.813 1.436 -1.207 275 HE3 LYS 35 HE1 LYS 35 -10.638 0.255 -0.627 276 HZ1 LYS 35 HZ1 LYS 35 -12.871 -0.478 -0.124 277 HZ2 LYS 35 HZ2 LYS 35 -13.203 0.981 0.648 278 HZ3 LYS 35 HZ3 LYS 35 -12.082 -0.083 1.322 279 H ARG 36 H ARG 36 -6.069 2.404 0.753 280 HA ARG 36 HA ARG 36 -6.506 4.907 1.916 281 HB2 ARG 36 HB2 ARG 36 -4.259 2.957 2.369 282 HB3 ARG 36 HB1 ARG 36 -4.592 4.342 3.397 283 HG2 ARG 36 HG2 ARG 36 -6.775 3.435 3.947 284 HG3 ARG 36 HG1 ARG 36 -6.480 2.052 2.889 285 HD2 ARG 36 HD2 ARG 36 -6.052 1.491 5.228 286 HD3 ARG 36 HD1 ARG 36 -4.580 1.402 4.257 287 HE ARG 36 HE ARG 36 -5.103 3.881 5.685 288 HH11 ARG 36 HH11 ARG 36 -3.321 0.813 5.649 289 HH12 ARG 36 HH12 ARG 36 -2.070 1.392 6.642 290 HH21 ARG 36 HH21 ARG 36 -3.431 4.630 7.057 291 HH22 ARG 36 HH22 ARG 36 -2.140 3.596 7.509 292 H LEU 37 H LEU 37 -3.935 3.827 -0.194 293 HA LEU 37 HA LEU 37 -2.243 6.047 0.017 294 HB2 LEU 37 HB2 LEU 37 -1.646 3.818 -0.937 295 HB3 LEU 37 HB1 LEU 37 -2.690 4.118 -2.288 296 HG LEU 37 HG LEU 37 -0.204 4.296 -2.690 297 HD11 LEU 37 HD11 LEU 37 -1.773 5.169 -4.270 298 HD12 LEU 37 HD12 LEU 37 -0.342 6.193 -4.149 299 HD13 LEU 37 HD13 LEU 37 -1.857 6.701 -3.386 300 HD21 LEU 37 HD21 LEU 37 0.407 5.476 -0.661 301 HD22 LEU 37 HD22 LEU 37 -0.529 6.880 -1.179 302 HD23 LEU 37 HD23 LEU 37 0.894 6.382 -2.092 303 H ARG 38 H ARG 38 -4.916 5.311 -2.177 304 HA ARG 38 HA ARG 38 -4.720 7.765 -3.603 305 HB2 ARG 38 HB2 ARG 38 -7.049 5.866 -3.411 306 HB3 ARG 38 HB1 ARG 38 -6.918 7.195 -4.551 307 HG2 ARG 38 HG2 ARG 38 -4.907 6.117 -5.501 308 HG3 ARG 38 HG1 ARG 38 -5.173 4.756 -4.412 309 HD2 ARG 38 HD2 ARG 38 -7.038 5.743 -6.555 310 HD3 ARG 38 HD1 ARG 38 -6.077 4.271 -6.594 311 HE ARG 38 HE ARG 38 -8.169 4.707 -4.580 312 HH11 ARG 38 HH11 ARG 38 -6.677 2.671 -7.058 313 HH12 ARG 38 HH12 ARG 38 -7.797 1.406 -6.923 314 HH21 ARG 38 HH21 ARG 38 -9.760 2.952 -4.400 315 HH22 ARG 38 HH22 ARG 38 -9.599 1.574 -5.386 316 H GLU 39 H GLU 39 -6.598 6.682 -0.844 317 HA GLU 39 HA GLU 39 -8.261 8.936 -0.607 318 HB2 GLU 39 HB2 GLU 39 -7.157 7.199 1.599 319 HB3 GLU 39 HB1 GLU 39 -8.510 8.306 1.763 320 HG2 GLU 39 HG2 GLU 39 -8.417 5.835 0.045 321 HG3 GLU 39 HG1 GLU 39 -9.283 6.019 1.566 322 H ARG 40 H ARG 40 -5.015 8.274 0.528 323 HA ARG 40 HA ARG 40 -4.683 10.614 2.050 324 HB2 ARG 40 HB2 ARG 40 -3.150 8.686 2.197 325 HB3 ARG 40 HB1 ARG 40 -2.564 9.042 0.575 326 HG2 ARG 40 HG2 ARG 40 -1.852 11.285 1.399 327 HG3 ARG 40 HG1 ARG 40 -2.285 10.759 3.023 328 HD2 ARG 40 HD2 ARG 40 -0.229 9.471 1.244 329 HD3 ARG 40 HD1 ARG 40 0.086 10.558 2.595 330 HE ARG 40 HE ARG 40 -1.455 8.331 3.411 331 HH11 ARG 40 HH11 ARG 40 1.860 9.322 2.618 332 HH12 ARG 40 HH12 ARG 40 2.574 8.046 3.503 333 HH21 ARG 40 HH21 ARG 40 -0.436 6.687 4.699 334 HH22 ARG 40 HH22 ARG 40 1.279 6.570 4.696 335 H GLU 41 H GLU 41 -4.200 9.944 -1.379 336 HA GLU 41 HA GLU 41 -3.095 12.568 -1.782 337 HB2 GLU 41 HB2 GLU 41 -3.928 10.531 -3.843 338 HB3 GLU 41 HB1 GLU 41 -3.025 12.006 -4.169 339 HG2 GLU 41 HG2 GLU 41 -1.269 11.137 -2.581 340 HG3 GLU 41 HG1 GLU 41 -2.132 9.603 -2.607 341 H GLY 42 H GLY 42 -6.200 11.053 -2.227 342 HA2 GLY 42 HA2 GLY 42 -7.298 13.250 -3.689 343 HA3 GLY 42 HA1 GLY 42 -8.173 11.874 -3.042 344 H ARG 43 H ARG 43 -7.535 12.198 -0.295 345 HA ARG 43 HA ARG 43 -9.400 14.369 0.197 346 HB2 ARG 43 HB2 ARG 43 -8.353 12.320 2.149 347 HB3 ARG 43 HB1 ARG 43 -9.678 13.441 2.433 348 HG2 ARG 43 HG2 ARG 43 -10.921 12.359 0.576 349 HG3 ARG 43 HG1 ARG 43 -9.616 11.179 0.449 350 HD2 ARG 43 HD2 ARG 43 -10.009 10.611 2.850 351 HD3 ARG 43 HD1 ARG 43 -11.430 11.654 2.808 352 HE ARG 43 HE ARG 43 -11.080 9.211 1.186 353 HH11 ARG 43 HH11 ARG 43 -13.300 11.489 2.778 354 HH12 ARG 43 HH12 ARG 43 -14.657 10.516 2.503 355 HH21 ARG 43 HH21 ARG 43 -12.824 7.970 0.869 356 HH22 ARG 43 HH22 ARG 43 -14.409 8.388 1.412 357 H ARG 44 H ARG 44 -6.122 14.214 0.097 358 HA ARG 44 HA ARG 44 -5.856 16.366 2.093 359 HB2 ARG 44 HB2 ARG 44 -3.748 14.353 1.281 360 HB3 ARG 44 HB1 ARG 44 -3.510 15.691 2.389 361 HG2 ARG 44 HG2 ARG 44 -5.040 14.669 3.972 362 HG3 ARG 44 HG1 ARG 44 -5.345 13.344 2.845 363 HD2 ARG 44 HD2 ARG 44 -2.954 12.757 2.921 364 HD3 ARG 44 HD1 ARG 44 -2.677 14.036 4.092 365 HE ARG 44 HE ARG 44 -4.706 12.281 4.975 366 HH11 ARG 44 HH11 ARG 44 -1.162 12.552 4.751 367 HH12 ARG 44 HH12 ARG 44 -0.835 11.437 5.974 368 HH21 ARG 44 HH21 ARG 44 -4.260 10.744 6.709 369 HH22 ARG 44 HH22 ARG 44 -2.647 10.359 7.112 370 H GLU 45 H GLU 45 -3.665 17.610 1.481 371 HA GLU 45 HA GLU 45 -4.082 18.589 -1.173 372 HB2 GLU 45 HB2 GLU 45 -1.907 19.232 0.829 373 HB3 GLU 45 HB1 GLU 45 -2.137 20.059 -0.698 374 HG2 GLU 45 HG2 GLU 45 -4.018 20.041 1.646 375 HG3 GLU 45 HG1 GLU 45 -3.038 21.391 1.075 376 H VAL 46 H VAL 46 -2.384 18.716 -2.754 377 HA VAL 46 HA VAL 46 -1.152 16.195 -3.198 378 HB VAL 46 HB VAL 46 -0.789 18.805 -4.699 379 HG11 VAL 46 HG11 VAL 46 -0.093 17.393 -6.577 380 HG12 VAL 46 HG12 VAL 46 -0.214 15.971 -5.544 381 HG13 VAL 46 3HG1 VAL 46 0.982 17.219 -5.188 382 HG21 VAL 46 HG21 VAL 46 -2.704 16.534 -5.213 383 HG22 VAL 46 HG22 VAL 46 -2.457 17.919 -6.274 384 HG23 VAL 46 HG23 VAL 46 -3.132 18.153 -4.661 385 H ASP 47 H ASP 47 0.575 15.636 -2.067 386 HA ASP 47 HA ASP 47 2.988 17.103 -2.118 387 HB2 ASP 47 HB2 ASP 47 1.945 18.311 -0.256 388 HB3 ASP 47 HB1 ASP 47 1.585 16.798 0.560 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 4.078 17.401 2.327 2 H3 PRO 1 HT2 PRO 1 4.847 18.822 2.418 3 HA PRO 1 HA PRO 1 6.293 18.180 3.865 4 HB2 PRO 1 HB2 PRO 1 5.060 15.808 4.969 5 HB3 PRO 1 HB1 PRO 1 5.649 17.242 5.815 6 HG2 PRO 1 HG2 PRO 1 2.923 16.598 4.981 7 HG3 PRO 1 HG1 PRO 1 3.481 17.842 6.108 8 HD2 PRO 1 HD2 PRO 1 2.432 18.430 3.655 9 HD3 PRO 1 HD1 PRO 1 3.650 19.447 4.445 10 H ARG 2 H ARG 2 7.275 15.705 4.236 11 HA ARG 2 HA ARG 2 7.447 14.685 1.511 12 HB2 ARG 2 HB2 ARG 2 9.185 14.108 3.915 13 HB3 ARG 2 HB1 ARG 2 9.465 13.512 2.290 14 HG2 ARG 2 HG2 ARG 2 9.692 15.893 1.549 15 HG3 ARG 2 HG1 ARG 2 9.612 16.352 3.248 16 HD2 ARG 2 HD2 ARG 2 11.919 16.196 2.569 17 HD3 ARG 2 HD1 ARG 2 11.550 14.914 3.715 18 HE ARG 2 HE ARG 2 11.627 14.488 0.804 19 HH11 ARG 2 HH11 ARG 2 12.345 13.345 4.077 20 HH12 ARG 2 HH12 ARG 2 13.308 12.036 3.572 21 HH21 ARG 2 HH21 ARG 2 12.933 12.659 0.107 22 HH22 ARG 2 HH22 ARG 2 13.656 11.624 1.256 23 H GLY 3 H GLY 3 8.098 12.162 1.723 24 HA2 GLY 3 HA2 GLY 3 7.436 10.155 2.973 25 HA3 GLY 3 HA1 GLY 3 5.859 10.924 3.177 26 H SER 4 H SER 4 7.604 8.814 1.290 27 HA SER 4 HA SER 4 6.339 9.520 -1.181 28 HB2 SER 4 HB2 SER 4 8.608 8.640 -1.292 29 HB3 SER 4 HB1 SER 4 8.093 7.166 -0.477 30 HG SER 4 HG SER 4 8.059 7.722 -3.057 31 HA PRO 5 HA PRO 5 2.790 6.963 -0.385 32 HB2 PRO 5 HB2 PRO 5 1.635 7.269 -2.820 33 HB3 PRO 5 HB1 PRO 5 1.582 8.533 -1.588 34 HG2 PRO 5 HG2 PRO 5 3.363 8.287 -3.977 35 HG3 PRO 5 HG1 PRO 5 2.560 9.727 -3.324 36 HD2 PRO 5 HD2 PRO 5 5.176 9.153 -2.897 37 HD3 PRO 5 HD1 PRO 5 4.184 10.066 -1.740 38 H ARG 6 H ARG 6 5.216 6.590 -2.777 39 HA ARG 6 HA ARG 6 4.121 4.160 -3.841 40 HB2 ARG 6 HB2 ARG 6 5.436 5.794 -5.214 41 HB3 ARG 6 HB1 ARG 6 6.863 5.331 -4.308 42 HG2 ARG 6 HG2 ARG 6 6.713 4.222 -6.514 43 HG3 ARG 6 HG1 ARG 6 6.744 3.081 -5.169 44 HD2 ARG 6 HD2 ARG 6 5.086 2.530 -6.960 45 HD3 ARG 6 HD1 ARG 6 4.391 2.674 -5.351 46 HE ARG 6 HE ARG 6 4.218 5.148 -6.626 47 HH11 ARG 6 HH11 ARG 6 2.849 1.876 -7.094 48 HH12 ARG 6 HH12 ARG 6 1.343 2.458 -7.642 49 HH21 ARG 6 HH21 ARG 6 2.102 5.908 -7.376 50 HH22 ARG 6 HH22 ARG 6 0.921 4.793 -7.832 51 H THR 7 H THR 7 6.855 5.103 -1.750 52 HA THR 7 HA THR 7 7.617 2.428 -1.277 53 HB THR 7 HB THR 7 8.869 3.417 0.690 54 HG1 THR 7 HG1 THR 7 7.550 5.156 1.127 55 HG21 THR 7 HG21 THR 7 9.241 4.759 -1.987 56 HG22 THR 7 HG22 THR 7 9.913 3.197 -1.517 57 HG23 THR 7 HG23 THR 7 10.455 4.670 -0.710 58 H GLU 8 H GLU 8 5.366 4.640 0.224 59 HA GLU 8 HA GLU 8 4.691 3.321 2.576 60 HB2 GLU 8 HB2 GLU 8 3.858 5.554 1.901 61 HB3 GLU 8 HB1 GLU 8 2.903 4.805 0.636 62 HG2 GLU 8 HG2 GLU 8 1.519 5.427 2.529 63 HG3 GLU 8 HG1 GLU 8 1.542 3.679 2.310 64 H TYR 9 H TYR 9 3.388 2.933 -0.724 65 HA TYR 9 HA TYR 9 1.558 0.931 -0.105 66 HB2 TYR 9 HB2 TYR 9 1.146 2.255 -1.952 67 HB3 TYR 9 HB1 TYR 9 2.783 2.102 -2.580 68 HD1 TYR 9 HD1 TYR 9 3.425 0.164 -3.670 69 HD2 TYR 9 HD2 TYR 9 -0.499 0.686 -2.418 70 HE1 TYR 9 HE1 TYR 9 2.772 -1.711 -5.172 71 HE2 TYR 9 HE2 TYR 9 -1.275 -1.196 -3.878 72 HH TYR 9 HH TYR 9 -0.405 -2.237 -5.989 73 H GLU 10 H GLU 10 4.765 0.932 -1.611 74 HA GLU 10 HA GLU 10 5.004 -1.755 -2.145 75 HB2 GLU 10 HB2 GLU 10 6.498 0.000 -2.992 76 HB3 GLU 10 HB1 GLU 10 7.193 0.178 -1.389 77 HG2 GLU 10 HG2 GLU 10 8.060 -2.089 -1.502 78 HG3 GLU 10 HG1 GLU 10 7.318 -2.300 -3.088 79 H ALA 11 H ALA 11 6.113 -0.032 0.781 80 HA ALA 11 HA ALA 11 7.110 -2.258 2.149 81 HB1 ALA 11 HB1 ALA 11 7.517 0.066 2.856 82 HB2 ALA 11 HB2 ALA 11 6.890 -0.913 4.182 83 HB3 ALA 11 HB3 ALA 11 5.826 0.209 3.333 84 H CYS 12 H CYS 12 3.898 -0.863 2.086 85 HA CYS 12 HA CYS 12 2.640 -2.453 4.009 86 HB2 CYS 12 HB2 CYS 12 1.659 -0.397 3.124 87 HB3 CYS 12 HB1 CYS 12 1.559 -1.100 1.522 88 H ARG 13 H ARG 13 2.997 -2.888 0.502 89 HA ARG 13 HA ARG 13 1.498 -5.271 0.377 90 HB2 ARG 13 HB2 ARG 13 1.600 -3.789 -1.504 91 HB3 ARG 13 HB1 ARG 13 3.350 -3.896 -1.554 92 HG2 ARG 13 HG2 ARG 13 3.234 -6.182 -2.220 93 HG3 ARG 13 HG1 ARG 13 1.471 -6.172 -2.064 94 HD2 ARG 13 HD2 ARG 13 1.271 -4.568 -3.848 95 HD3 ARG 13 HD1 ARG 13 3.020 -4.378 -3.934 96 HE ARG 13 HE ARG 13 2.696 -6.990 -4.370 97 HH11 ARG 13 HH11 ARG 13 1.091 -4.185 -5.889 98 HH12 ARG 13 HH12 ARG 13 1.012 -4.908 -7.420 99 HH21 ARG 13 HH21 ARG 13 2.589 -7.937 -6.490 100 HH22 ARG 13 HH22 ARG 13 1.882 -7.088 -7.784 101 H VAL 14 H VAL 14 5.001 -4.591 0.267 102 HA VAL 14 HA VAL 14 5.821 -7.247 -0.105 103 HB VAL 14 HB VAL 14 7.357 -4.953 1.176 104 HG11 VAL 14 HG11 VAL 14 8.400 -7.599 0.136 105 HG12 VAL 14 HG12 VAL 14 8.341 -7.109 1.828 106 HG13 VAL 14 3HG1 VAL 14 9.391 -6.253 0.699 107 HG21 VAL 14 HG21 VAL 14 8.441 -4.772 -1.006 108 HG22 VAL 14 HG22 VAL 14 6.697 -4.546 -1.139 109 HG23 VAL 14 HG23 VAL 14 7.430 -6.077 -1.619 110 H ARG 15 H ARG 15 5.360 -5.390 2.892 111 HA ARG 15 HA ARG 15 6.271 -7.484 4.537 112 HB2 ARG 15 HB2 ARG 15 4.491 -5.141 5.208 113 HB3 ARG 15 HB1 ARG 15 5.103 -6.269 6.411 114 HG2 ARG 15 HG2 ARG 15 7.396 -5.662 5.833 115 HG3 ARG 15 HG1 ARG 15 6.797 -4.555 4.600 116 HD2 ARG 15 HD2 ARG 15 5.630 -3.283 6.380 117 HD3 ARG 15 HD1 ARG 15 6.360 -4.353 7.577 118 HE ARG 15 HE ARG 15 8.476 -3.455 6.167 119 HH11 ARG 15 HH11 ARG 15 5.910 -1.848 8.005 120 HH12 ARG 15 HH12 ARG 15 6.805 -0.422 8.273 121 HH21 ARG 15 HH21 ARG 15 9.713 -1.462 6.541 122 HH22 ARG 15 HH22 ARG 15 8.990 -0.181 7.390 123 H CYS 16 H CYS 16 3.054 -6.780 3.258 124 HA CYS 16 HA CYS 16 1.836 -8.882 4.702 125 HB2 CYS 16 HB2 CYS 16 1.035 -7.442 2.199 126 HB3 CYS 16 HB1 CYS 16 0.141 -8.854 2.749 127 H GLN 17 H GLN 17 3.585 -8.832 1.661 128 HA GLN 17 HA GLN 17 2.889 -11.482 0.948 129 HB2 GLN 17 HB2 GLN 17 3.785 -9.798 -0.639 130 HB3 GLN 17 HB1 GLN 17 5.336 -9.879 0.178 131 HG2 GLN 17 HG2 GLN 17 5.455 -11.165 -1.830 132 HG3 GLN 17 HG1 GLN 17 5.495 -12.262 -0.457 133 HE21 GLN 17 1HE2 GLN 17 4.817 -12.703 -3.214 134 HE22 GLN 17 2HE2 GLN 17 3.225 -13.360 -3.249 135 H VAL 18 H VAL 18 5.249 -10.112 3.066 136 HA VAL 18 HA VAL 18 6.718 -12.559 3.449 137 HB VAL 18 HB VAL 18 6.738 -10.028 5.130 138 HG11 VAL 18 HG11 VAL 18 8.670 -12.338 5.077 139 HG12 VAL 18 HG12 VAL 18 7.552 -11.951 6.384 140 HG13 VAL 18 3HG1 VAL 18 8.877 -10.851 5.998 141 HG21 VAL 18 HG21 VAL 18 8.825 -9.499 3.979 142 HG22 VAL 18 HG22 VAL 18 7.480 -9.618 2.843 143 HG23 VAL 18 HG23 VAL 18 8.641 -10.940 2.980 144 H ALA 19 H ALA 19 4.332 -10.723 5.342 145 HA ALA 19 HA ALA 19 4.370 -12.692 7.446 146 HB1 ALA 19 HB1 ALA 19 4.217 -10.315 7.950 147 HB2 ALA 19 HB2 ALA 19 2.864 -11.233 8.616 148 HB3 ALA 19 HB3 ALA 19 2.639 -10.260 7.162 149 H GLU 20 H GLU 20 2.005 -11.697 4.995 150 HA GLU 20 HA GLU 20 0.018 -13.528 6.036 151 HB2 GLU 20 HB2 GLU 20 0.065 -11.878 3.501 152 HB3 GLU 20 HB1 GLU 20 -1.308 -12.805 4.084 153 HG2 GLU 20 HG2 GLU 20 -0.038 -10.522 5.569 154 HG3 GLU 20 HG1 GLU 20 -1.450 -10.373 4.525 155 H HIS 21 H HIS 21 1.753 -13.116 3.014 156 HA HIS 21 HA HIS 21 2.602 -14.487 1.471 157 HB2 HIS 21 HB2 HIS 21 3.756 -15.426 3.548 158 HB3 HIS 21 HB1 HIS 21 2.545 -16.698 3.536 159 HD1 HIS 21 HD1 HIS 21 5.859 -15.968 2.341 160 HD2 HIS 21 HD2 HIS 21 2.641 -18.211 0.979 161 HE1 HIS 21 HE1 HIS 21 6.796 -17.566 0.643 162 H GLY 22 H GLY 22 0.988 -14.522 0.066 163 HA2 GLY 22 HA2 GLY 22 -0.123 -16.772 -0.912 164 HA3 GLY 22 HA1 GLY 22 -1.265 -16.284 0.341 165 H VAL 23 H VAL 23 -1.675 -16.358 -2.549 166 HA VAL 23 HA VAL 23 -1.518 -13.688 -3.543 167 HB VAL 23 HB VAL 23 -3.141 -16.022 -4.611 168 HG11 VAL 23 HG11 VAL 23 -2.323 -13.444 -5.959 169 HG12 VAL 23 HG12 VAL 23 -3.958 -13.883 -5.466 170 HG13 VAL 23 3HG1 VAL 23 -3.145 -14.795 -6.739 171 HG21 VAL 23 HG21 VAL 23 -0.752 -16.508 -4.532 172 HG22 VAL 23 HG22 VAL 23 -0.420 -15.019 -5.416 173 HG23 VAL 23 HG23 VAL 23 -1.313 -16.325 -6.194 174 H GLU 24 H GLU 24 -4.068 -15.654 -2.071 175 HA GLU 24 HA GLU 24 -6.170 -13.846 -2.634 176 HB2 GLU 24 HB2 GLU 24 -6.362 -16.287 -2.023 177 HB3 GLU 24 HB1 GLU 24 -5.984 -15.823 -0.369 178 HG2 GLU 24 HG2 GLU 24 -8.299 -16.072 -0.531 179 HG3 GLU 24 HG1 GLU 24 -7.951 -14.339 -0.417 180 H ARG 25 H ARG 25 -3.960 -14.360 0.021 181 HA ARG 25 HA ARG 25 -5.063 -12.341 1.698 182 HB2 ARG 25 HB2 ARG 25 -2.338 -13.643 1.773 183 HB3 ARG 25 HB1 ARG 25 -2.990 -12.575 3.011 184 HG2 ARG 25 HG2 ARG 25 -4.775 -14.146 3.472 185 HG3 ARG 25 HG1 ARG 25 -4.191 -15.212 2.196 186 HD2 ARG 25 HD2 ARG 25 -2.076 -15.481 3.404 187 HD3 ARG 25 HD1 ARG 25 -2.677 -14.422 4.679 188 HE ARG 25 HE ARG 25 -4.560 -16.296 4.600 189 HH11 ARG 25 HH11 ARG 25 -1.015 -16.568 4.789 190 HH12 ARG 25 HH12 ARG 25 -1.072 -18.056 5.601 191 HH21 ARG 25 HH21 ARG 25 -4.569 -18.360 5.711 192 HH22 ARG 25 HH22 ARG 25 -3.086 -19.074 6.151 193 H GLN 26 H GLN 26 -2.573 -12.419 -0.764 194 HA GLN 26 HA GLN 26 -1.483 -9.870 -0.346 195 HB2 GLN 26 HB2 GLN 26 -0.439 -11.514 -1.859 196 HB3 GLN 26 HB1 GLN 26 -1.813 -11.385 -2.946 197 HG2 GLN 26 HG2 GLN 26 -1.264 -9.009 -3.317 198 HG3 GLN 26 HG1 GLN 26 0.152 -9.198 -2.289 199 HE21 GLN 26 1HE2 GLN 26 -0.076 -8.462 -5.116 200 HE22 GLN 26 2HE2 GLN 26 0.901 -9.628 -5.949 201 H ARG 27 H ARG 27 -4.159 -10.996 -2.335 202 HA ARG 27 HA ARG 27 -4.958 -8.639 -3.569 203 HB2 ARG 27 HB2 ARG 27 -6.655 -10.899 -2.536 204 HB3 ARG 27 HB1 ARG 27 -7.250 -9.649 -3.616 205 HG2 ARG 27 HG2 ARG 27 -5.741 -10.379 -5.338 206 HG3 ARG 27 HG1 ARG 27 -5.004 -11.554 -4.242 207 HD2 ARG 27 HD2 ARG 27 -7.218 -12.662 -4.047 208 HD3 ARG 27 HD1 ARG 27 -7.847 -11.529 -5.238 209 HE ARG 27 HE ARG 27 -5.866 -12.496 -6.604 210 HH11 ARG 27 HH11 ARG 27 -8.067 -14.329 -4.486 211 HH12 ARG 27 HH12 ARG 27 -8.040 -15.720 -5.462 212 HH21 ARG 27 HH21 ARG 27 -5.837 -14.458 -7.912 213 HH22 ARG 27 HH22 ARG 27 -6.729 -15.815 -7.413 214 H ARG 28 H ARG 28 -5.630 -9.758 -0.327 215 HA ARG 28 HA ARG 28 -7.573 -7.810 0.384 216 HB2 ARG 28 HB2 ARG 28 -5.613 -9.260 2.164 217 HB3 ARG 28 HB1 ARG 28 -7.067 -8.431 2.699 218 HG2 ARG 28 HG2 ARG 28 -8.446 -10.028 1.541 219 HG3 ARG 28 HG1 ARG 28 -7.017 -10.808 0.862 220 HD2 ARG 28 HD2 ARG 28 -6.269 -11.323 3.170 221 HD3 ARG 28 HD1 ARG 28 -7.787 -10.656 3.769 222 HE ARG 28 HE ARG 28 -8.605 -12.444 1.967 223 HH11 ARG 28 HH11 ARG 28 -6.419 -12.722 4.758 224 HH12 ARG 28 HH12 ARG 28 -6.767 -14.352 5.024 225 HH21 ARG 28 HH21 ARG 28 -9.048 -14.698 2.361 226 HH22 ARG 28 HH22 ARG 28 -8.287 -15.492 3.663 227 H CYS 29 H CYS 29 -4.128 -8.068 1.264 228 HA CYS 29 HA CYS 29 -3.931 -5.513 2.342 229 HB2 CYS 29 HB2 CYS 29 -1.877 -7.398 1.252 230 HB3 CYS 29 HB1 CYS 29 -1.450 -5.826 1.904 231 H GLN 30 H GLN 30 -3.340 -6.665 -0.946 232 HA GLN 30 HA GLN 30 -1.999 -4.463 -1.954 233 HB2 GLN 30 HB2 GLN 30 -2.333 -6.728 -3.025 234 HB3 GLN 30 HB1 GLN 30 -3.933 -6.186 -3.496 235 HG2 GLN 30 HG2 GLN 30 -2.962 -4.429 -4.856 236 HG3 GLN 30 HG1 GLN 30 -1.343 -4.899 -4.335 237 HE21 GLN 30 1HE2 GLN 30 -4.047 -5.701 -6.342 238 HE22 GLN 30 2HE2 GLN 30 -3.276 -6.956 -7.222 239 H GLN 31 H GLN 31 -5.484 -5.045 -1.674 240 HA GLN 31 HA GLN 31 -6.156 -2.645 -3.065 241 HB2 GLN 31 HB2 GLN 31 -7.868 -4.404 -1.302 242 HB3 GLN 31 HB1 GLN 31 -8.471 -3.084 -2.298 243 HG2 GLN 31 HG2 GLN 31 -7.103 -5.576 -3.286 244 HG3 GLN 31 HG1 GLN 31 -8.824 -5.221 -3.390 245 HE21 GLN 31 1HE2 GLN 31 -6.817 -5.752 -5.474 246 HE22 GLN 31 2HE2 GLN 31 -6.859 -4.391 -6.526 247 H VAL 32 H VAL 32 -5.782 -3.533 0.305 248 HA VAL 32 HA VAL 32 -6.703 -1.078 1.392 249 HB VAL 32 HB VAL 32 -4.671 -3.012 2.570 250 HG11 VAL 32 HG11 VAL 32 -5.300 -2.064 4.743 251 HG12 VAL 32 HG12 VAL 32 -6.365 -0.917 3.933 252 HG13 VAL 32 3HG1 VAL 32 -4.623 -0.832 3.677 253 HG21 VAL 32 HG21 VAL 32 -6.545 -3.980 3.792 254 HG22 VAL 32 HG22 VAL 32 -6.806 -4.098 2.051 255 HG23 VAL 32 HG23 VAL 32 -7.652 -2.869 2.992 256 H CYS 33 H CYS 33 -3.502 -2.276 0.533 257 HA CYS 33 HA CYS 33 -2.034 0.005 1.255 258 HB2 CYS 33 HB2 CYS 33 -1.351 -1.997 -0.918 259 HB3 CYS 33 HB1 CYS 33 -0.226 -0.919 -0.108 260 H GLU 34 H GLU 34 -3.555 -0.961 -1.835 261 HA GLU 34 HA GLU 34 -2.700 1.212 -3.395 262 HB2 GLU 34 HB2 GLU 34 -3.640 -0.835 -4.341 263 HB3 GLU 34 HB1 GLU 34 -5.173 -0.520 -3.560 264 HG2 GLU 34 HG2 GLU 34 -5.315 -0.049 -5.917 265 HG3 GLU 34 HG1 GLU 34 -5.491 1.432 -4.986 266 H LYS 35 H LYS 35 -5.540 0.749 -1.333 267 HA LYS 35 HA LYS 35 -6.817 3.169 -1.966 268 HB2 LYS 35 HB2 LYS 35 -7.886 1.257 -0.799 269 HB3 LYS 35 HB1 LYS 35 -6.953 1.635 0.642 270 HG2 LYS 35 HG2 LYS 35 -8.040 3.855 0.719 271 HG3 LYS 35 HG1 LYS 35 -9.016 3.397 -0.668 272 HD2 LYS 35 HD2 LYS 35 -9.032 1.982 1.999 273 HD3 LYS 35 HD1 LYS 35 -10.185 3.211 1.525 274 HE2 LYS 35 HE2 LYS 35 -11.268 1.109 1.213 275 HE3 LYS 35 HE1 LYS 35 -10.864 1.696 -0.389 276 HZ1 LYS 35 HZ1 LYS 35 -9.079 0.106 -0.528 277 HZ2 LYS 35 HZ2 LYS 35 -10.439 -0.713 0.030 278 HZ3 LYS 35 HZ3 LYS 35 -9.246 -0.304 1.101 279 H ARG 36 H ARG 36 -4.526 2.311 0.584 280 HA ARG 36 HA ARG 36 -4.498 4.938 1.694 281 HB2 ARG 36 HB2 ARG 36 -2.567 2.666 2.087 282 HB3 ARG 36 HB1 ARG 36 -2.531 4.175 2.989 283 HG2 ARG 36 HG2 ARG 36 -4.872 3.669 3.713 284 HG3 ARG 36 HG1 ARG 36 -4.657 2.064 3.012 285 HD2 ARG 36 HD2 ARG 36 -4.156 1.992 5.380 286 HD3 ARG 36 HD1 ARG 36 -2.693 1.725 4.430 287 HE ARG 36 HE ARG 36 -3.038 4.464 5.082 288 HH11 ARG 36 HH11 ARG 36 -1.956 1.382 6.412 289 HH12 ARG 36 HH12 ARG 36 -0.891 2.071 7.556 290 HH21 ARG 36 HH21 ARG 36 -1.553 5.437 6.683 291 HH22 ARG 36 HH22 ARG 36 -0.665 4.404 7.708 292 H LEU 37 H LEU 37 -2.674 3.321 -0.752 293 HA LEU 37 HA LEU 37 -0.487 5.037 -1.112 294 HB2 LEU 37 HB2 LEU 37 -1.176 2.824 -2.305 295 HB3 LEU 37 HB1 LEU 37 -2.157 3.829 -3.327 296 HG LEU 37 HG LEU 37 0.860 3.727 -3.191 297 HD11 LEU 37 HD11 LEU 37 -1.101 3.111 -5.367 298 HD12 LEU 37 HD12 LEU 37 -0.167 1.949 -4.421 299 HD13 LEU 37 HD13 LEU 37 0.655 3.061 -5.515 300 HD21 LEU 37 HD21 LEU 37 0.942 5.333 -4.942 301 HD22 LEU 37 HD22 LEU 37 0.138 6.033 -3.517 302 HD23 LEU 37 HD23 LEU 37 -0.818 5.503 -4.913 303 H ARG 38 H ARG 38 -3.711 4.985 -2.442 304 HA ARG 38 HA ARG 38 -3.644 7.310 -3.973 305 HB2 ARG 38 HB2 ARG 38 -5.252 5.315 -3.975 306 HB3 ARG 38 HB1 ARG 38 -6.087 6.137 -2.677 307 HG2 ARG 38 HG2 ARG 38 -7.154 6.509 -4.826 308 HG3 ARG 38 HG1 ARG 38 -6.541 8.020 -4.147 309 HD2 ARG 38 HD2 ARG 38 -6.108 7.664 -6.608 310 HD3 ARG 38 HD1 ARG 38 -4.683 8.040 -5.643 311 HE ARG 38 HE ARG 38 -5.128 5.230 -5.897 312 HH11 ARG 38 HH11 ARG 38 -3.992 7.944 -7.839 313 HH12 ARG 38 HH12 ARG 38 -2.698 7.089 -8.542 314 HH21 ARG 38 HH21 ARG 38 -3.340 4.026 -6.903 315 HH22 ARG 38 HH22 ARG 38 -2.338 4.861 -8.019 316 H GLU 39 H GLU 39 -4.567 6.723 -0.616 317 HA GLU 39 HA GLU 39 -5.476 9.340 -0.000 318 HB2 GLU 39 HB2 GLU 39 -4.281 7.231 1.793 319 HB3 GLU 39 HB1 GLU 39 -5.017 8.703 2.377 320 HG2 GLU 39 HG2 GLU 39 -7.154 7.951 1.331 321 HG3 GLU 39 HG1 GLU 39 -6.355 6.421 0.953 322 H ARG 40 H ARG 40 -2.370 7.719 0.376 323 HA ARG 40 HA ARG 40 -1.063 9.823 1.703 324 HB2 ARG 40 HB2 ARG 40 -0.395 7.409 1.717 325 HB3 ARG 40 HB1 ARG 40 0.189 7.610 0.079 326 HG2 ARG 40 HG2 ARG 40 2.021 7.674 1.671 327 HG3 ARG 40 HG1 ARG 40 1.844 9.237 0.871 328 HD2 ARG 40 HD2 ARG 40 0.786 10.182 2.797 329 HD3 ARG 40 HD1 ARG 40 0.653 8.603 3.569 330 HE ARG 40 HE ARG 40 3.263 8.785 3.269 331 HH11 ARG 40 HH11 ARG 40 1.045 11.295 4.468 332 HH12 ARG 40 HH12 ARG 40 2.132 11.901 5.606 333 HH21 ARG 40 HH21 ARG 40 4.762 9.663 4.839 334 HH22 ARG 40 HH22 ARG 40 4.302 10.989 5.795 335 H GLU 41 H GLU 41 -1.263 8.959 -1.753 336 HA GLU 41 HA GLU 41 0.413 11.201 -2.398 337 HB2 GLU 41 HB2 GLU 41 -0.013 10.719 -4.766 338 HB3 GLU 41 HB1 GLU 41 0.530 9.297 -3.906 339 HG2 GLU 41 HG2 GLU 41 -1.628 8.340 -3.961 340 HG3 GLU 41 HG1 GLU 41 -2.355 9.849 -4.521 341 H GLY 42 H GLY 42 -2.874 10.728 -1.810 342 HA2 GLY 42 HA2 GLY 42 -3.834 13.007 -3.238 343 HA3 GLY 42 HA1 GLY 42 -4.670 12.171 -1.929 344 H ARG 43 H ARG 43 -2.548 12.385 -0.100 345 HA ARG 43 HA ARG 43 -2.995 15.068 0.834 346 HB2 ARG 43 HB2 ARG 43 -1.845 12.620 2.122 347 HB3 ARG 43 HB1 ARG 43 -1.699 14.205 2.874 348 HG2 ARG 43 HG2 ARG 43 -4.103 14.430 2.949 349 HG3 ARG 43 HG1 ARG 43 -4.294 12.896 2.100 350 HD2 ARG 43 HD2 ARG 43 -2.832 13.098 4.719 351 HD3 ARG 43 HD1 ARG 43 -4.577 12.899 4.646 352 HE ARG 43 HE ARG 43 -4.141 10.863 3.354 353 HH11 ARG 43 HH11 ARG 43 -1.507 12.042 5.425 354 HH12 ARG 43 HH12 ARG 43 -1.015 10.511 5.955 355 HH21 ARG 43 HH21 ARG 43 -3.432 8.683 4.096 356 HH22 ARG 43 HH22 ARG 43 -2.131 8.545 5.167 357 H ARG 44 H ARG 44 -0.740 13.839 -1.152 358 HA ARG 44 HA ARG 44 1.256 15.786 -0.242 359 HB2 ARG 44 HB2 ARG 44 2.138 13.486 0.005 360 HB3 ARG 44 HB1 ARG 44 1.767 13.159 -1.682 361 HG2 ARG 44 HG2 ARG 44 3.383 14.861 -2.367 362 HG3 ARG 44 HG1 ARG 44 3.729 15.192 -0.670 363 HD2 ARG 44 HD2 ARG 44 4.661 13.020 -0.367 364 HD3 ARG 44 HD1 ARG 44 4.135 12.518 -1.977 365 HE ARG 44 HE ARG 44 5.661 14.711 -2.415 366 HH11 ARG 44 HH11 ARG 44 6.313 11.679 -0.715 367 HH12 ARG 44 HH12 ARG 44 7.935 11.586 -1.256 368 HH21 ARG 44 HH21 ARG 44 7.858 14.561 -3.128 369 HH22 ARG 44 HH22 ARG 44 8.829 13.244 -2.670 370 H GLU 45 H GLU 45 2.324 16.967 -1.957 371 HA GLU 45 HA GLU 45 0.563 17.368 -4.194 372 HB2 GLU 45 HB2 GLU 45 3.114 18.774 -3.394 373 HB3 GLU 45 HB1 GLU 45 2.122 19.211 -4.774 374 HG2 GLU 45 HG2 GLU 45 1.270 19.286 -1.889 375 HG3 GLU 45 HG1 GLU 45 1.696 20.676 -2.887 376 H VAL 46 H VAL 46 0.725 15.752 -5.619 377 HA VAL 46 HA VAL 46 3.332 14.916 -6.602 378 HB VAL 46 HB VAL 46 0.555 14.162 -7.604 379 HG11 VAL 46 HG11 VAL 46 3.219 12.835 -8.087 380 HG12 VAL 46 HG12 VAL 46 2.312 13.790 -9.260 381 HG13 VAL 46 3HG1 VAL 46 1.661 12.261 -8.671 382 HG21 VAL 46 HG21 VAL 46 2.353 12.673 -5.686 383 HG22 VAL 46 HG22 VAL 46 0.835 12.068 -6.350 384 HG23 VAL 46 HG23 VAL 46 0.832 13.470 -5.280 385 H ASP 47 H ASP 47 0.485 16.709 -7.555 386 HA ASP 47 HA ASP 47 2.016 18.352 -9.326 387 HB2 ASP 47 HB2 ASP 47 1.266 16.561 -10.858 388 HB3 ASP 47 HB1 ASP 47 -0.396 16.815 -10.333 Start of MODEL 11 1 H2 PRO 1 HT1 PRO 1 8.847 15.949 7.497 2 H3 PRO 1 HT2 PRO 1 10.225 15.976 8.356 3 HA PRO 1 HA PRO 1 10.605 14.033 7.849 4 HB2 PRO 1 HB2 PRO 1 8.089 12.727 8.524 5 HB3 PRO 1 HB1 PRO 1 9.688 12.491 9.235 6 HG2 PRO 1 HG2 PRO 1 7.657 13.776 10.536 7 HG3 PRO 1 HG1 PRO 1 9.374 14.080 10.839 8 HD2 PRO 1 HD2 PRO 1 7.406 15.714 9.290 9 HD3 PRO 1 HD1 PRO 1 8.783 16.242 10.269 10 H ARG 2 H ARG 2 9.552 12.117 6.421 11 HA ARG 2 HA ARG 2 8.371 13.613 4.218 12 HB2 ARG 2 HB2 ARG 2 10.495 12.343 3.837 13 HB3 ARG 2 HB1 ARG 2 9.597 10.857 4.122 14 HG2 ARG 2 HG2 ARG 2 8.120 11.403 2.249 15 HG3 ARG 2 HG1 ARG 2 9.053 12.872 1.974 16 HD2 ARG 2 HD2 ARG 2 11.050 11.481 1.561 17 HD3 ARG 2 HD1 ARG 2 10.044 10.038 1.740 18 HE ARG 2 HE ARG 2 9.237 12.032 -0.200 19 HH11 ARG 2 HH11 ARG 2 10.711 8.856 0.345 20 HH12 ARG 2 HH12 ARG 2 10.488 8.326 -1.259 21 HH21 ARG 2 HH21 ARG 2 8.960 11.303 -2.398 22 HH22 ARG 2 HH22 ARG 2 9.497 9.764 -2.871 23 H GLY 3 H GLY 3 6.300 13.459 3.897 24 HA2 GLY 3 HA2 GLY 3 4.820 11.195 4.977 25 HA3 GLY 3 HA1 GLY 3 4.134 12.705 4.382 26 H SER 4 H SER 4 6.060 9.980 3.210 27 HA SER 4 HA SER 4 4.963 10.282 0.565 28 HB2 SER 4 HB2 SER 4 6.622 8.334 0.207 29 HB3 SER 4 HB1 SER 4 7.294 9.921 0.611 30 HG SER 4 HG SER 4 7.034 7.602 2.149 31 HA PRO 5 HA PRO 5 1.915 7.185 1.865 32 HB2 PRO 5 HB2 PRO 5 0.382 7.247 -0.377 33 HB3 PRO 5 HB1 PRO 5 0.277 8.476 0.883 34 HG2 PRO 5 HG2 PRO 5 1.710 8.582 -1.738 35 HG3 PRO 5 HG1 PRO 5 0.753 9.838 -0.935 36 HD2 PRO 5 HD2 PRO 5 3.471 9.784 -0.895 37 HD3 PRO 5 HD1 PRO 5 2.502 10.476 0.419 38 H ARG 6 H ARG 6 3.868 7.197 -1.003 39 HA ARG 6 HA ARG 6 3.126 4.660 -2.010 40 HB2 ARG 6 HB2 ARG 6 5.707 6.156 -2.403 41 HB3 ARG 6 HB1 ARG 6 5.227 4.724 -3.292 42 HG2 ARG 6 HG2 ARG 6 3.339 5.917 -4.233 43 HG3 ARG 6 HG1 ARG 6 3.782 7.366 -3.324 44 HD2 ARG 6 HD2 ARG 6 5.977 7.326 -4.460 45 HD3 ARG 6 HD1 ARG 6 5.414 5.972 -5.432 46 HE ARG 6 HE ARG 6 3.602 8.089 -5.625 47 HH11 ARG 6 HH11 ARG 6 6.861 7.224 -6.690 48 HH12 ARG 6 HH12 ARG 6 6.791 8.165 -8.111 49 HH21 ARG 6 HH21 ARG 6 3.518 9.358 -7.579 50 HH22 ARG 6 HH22 ARG 6 4.843 9.360 -8.652 51 H THR 7 H THR 7 5.693 5.672 0.208 52 HA THR 7 HA THR 7 6.958 3.177 0.221 53 HB THR 7 HB THR 7 8.057 4.106 2.329 54 HG1 THR 7 HG1 THR 7 7.000 5.723 3.160 55 HG21 THR 7 HG21 THR 7 9.323 5.786 1.044 56 HG22 THR 7 HG22 THR 7 8.064 5.753 -0.197 57 HG23 THR 7 HG23 THR 7 9.043 4.318 0.102 58 H GLU 8 H GLU 8 4.399 4.535 2.157 59 HA GLU 8 HA GLU 8 4.282 2.547 4.181 60 HB2 GLU 8 HB2 GLU 8 2.082 4.283 3.059 61 HB3 GLU 8 HB1 GLU 8 2.016 3.398 4.575 62 HG2 GLU 8 HG2 GLU 8 3.922 5.605 3.910 63 HG3 GLU 8 HG1 GLU 8 2.467 5.773 4.886 64 H TYR 9 H TYR 9 2.586 3.043 1.166 65 HA TYR 9 HA TYR 9 1.012 0.714 1.297 66 HB2 TYR 9 HB2 TYR 9 0.011 2.141 -0.137 67 HB3 TYR 9 HB1 TYR 9 1.525 2.909 -0.573 68 HD1 TYR 9 HD1 TYR 9 -0.584 -0.084 -1.263 69 HD2 TYR 9 HD2 TYR 9 2.504 2.497 -2.588 70 HE1 TYR 9 HE1 TYR 9 -0.642 -1.149 -3.482 71 HE2 TYR 9 HE2 TYR 9 2.447 1.494 -4.778 72 HH TYR 9 HH TYR 9 -0.045 -0.515 -5.821 73 H GLU 10 H GLU 10 4.092 1.450 -0.200 74 HA GLU 10 HA GLU 10 4.575 -0.942 -1.560 75 HB2 GLU 10 HB2 GLU 10 5.892 1.160 -1.729 76 HB3 GLU 10 HB1 GLU 10 6.534 0.847 -0.127 77 HG2 GLU 10 HG2 GLU 10 7.472 -1.286 -1.027 78 HG3 GLU 10 HG1 GLU 10 6.967 -0.719 -2.625 79 H ALA 11 H ALA 11 5.315 0.104 1.741 80 HA ALA 11 HA ALA 11 6.612 -2.170 2.683 81 HB1 ALA 11 HB1 ALA 11 6.555 -0.034 3.875 82 HB2 ALA 11 HB2 ALA 11 6.038 -1.366 4.914 83 HB3 ALA 11 HB3 ALA 11 4.843 -0.269 4.220 84 H CYS 12 H CYS 12 3.226 -1.273 2.664 85 HA CYS 12 HA CYS 12 2.146 -3.445 4.012 86 HB2 CYS 12 HB2 CYS 12 0.854 -1.453 3.475 87 HB3 CYS 12 HB1 CYS 12 0.977 -1.806 1.759 88 H ARG 13 H ARG 13 3.054 -3.128 0.616 89 HA ARG 13 HA ARG 13 1.878 -5.580 -0.238 90 HB2 ARG 13 HB2 ARG 13 4.171 -4.074 -1.505 91 HB3 ARG 13 HB1 ARG 13 3.225 -5.336 -2.274 92 HG2 ARG 13 HG2 ARG 13 1.231 -3.875 -2.114 93 HG3 ARG 13 HG1 ARG 13 2.254 -2.610 -1.435 94 HD2 ARG 13 HD2 ARG 13 2.470 -3.841 -4.187 95 HD3 ARG 13 HD1 ARG 13 1.951 -2.205 -3.799 96 HE ARG 13 HE ARG 13 4.618 -2.934 -2.933 97 HH11 ARG 13 HH11 ARG 13 2.689 -1.317 -5.486 98 HH12 ARG 13 HH12 ARG 13 4.030 -0.580 -6.192 99 HH21 ARG 13 HH21 ARG 13 6.448 -1.871 -3.937 100 HH22 ARG 13 HH22 ARG 13 6.181 -0.855 -5.282 101 H VAL 14 H VAL 14 5.257 -4.671 0.441 102 HA VAL 14 HA VAL 14 6.275 -7.276 0.067 103 HB VAL 14 HB VAL 14 7.637 -5.229 -0.077 104 HG11 VAL 14 HG11 VAL 14 8.607 -4.167 1.898 105 HG12 VAL 14 HG12 VAL 14 7.516 -5.122 2.907 106 HG13 VAL 14 3HG1 VAL 14 6.860 -3.955 1.759 107 HG21 VAL 14 HG21 VAL 14 8.788 -7.332 0.089 108 HG22 VAL 14 HG22 VAL 14 8.701 -7.279 1.850 109 HG23 VAL 14 HG23 VAL 14 9.691 -6.106 0.980 110 H ARG 15 H ARG 15 5.221 -5.596 2.880 111 HA ARG 15 HA ARG 15 5.938 -7.506 4.827 112 HB2 ARG 15 HB2 ARG 15 5.255 -5.245 5.432 113 HB3 ARG 15 HB1 ARG 15 3.635 -5.561 4.845 114 HG2 ARG 15 HG2 ARG 15 3.235 -7.113 6.627 115 HG3 ARG 15 HG1 ARG 15 4.915 -7.001 7.158 116 HD2 ARG 15 HD2 ARG 15 2.958 -4.708 7.087 117 HD3 ARG 15 HD1 ARG 15 3.400 -5.617 8.535 118 HE ARG 15 HE ARG 15 5.787 -4.825 7.664 119 HH11 ARG 15 HH11 ARG 15 2.826 -2.914 8.005 120 HH12 ARG 15 HH12 ARG 15 3.635 -1.487 8.465 121 HH21 ARG 15 HH21 ARG 15 6.888 -2.882 8.275 122 HH22 ARG 15 HH22 ARG 15 6.021 -1.469 8.617 123 H CYS 16 H CYS 16 2.965 -7.199 2.925 124 HA CYS 16 HA CYS 16 1.919 -9.516 4.170 125 HB2 CYS 16 HB2 CYS 16 0.927 -7.921 1.819 126 HB3 CYS 16 HB1 CYS 16 0.085 -9.329 2.471 127 H GLN 17 H GLN 17 4.052 -9.083 1.547 128 HA GLN 17 HA GLN 17 3.581 -11.610 0.327 129 HB2 GLN 17 HB2 GLN 17 4.856 -9.944 -0.892 130 HB3 GLN 17 HB1 GLN 17 6.035 -9.830 0.402 131 HG2 GLN 17 HG2 GLN 17 6.926 -11.063 -1.501 132 HG3 GLN 17 HG1 GLN 17 6.816 -12.082 -0.072 133 HE21 GLN 17 1HE2 GLN 17 4.066 -11.260 -2.119 134 HE22 GLN 17 2HE2 GLN 17 3.849 -12.846 -2.745 135 H VAL 18 H VAL 18 5.474 -10.495 3.018 136 HA VAL 18 HA VAL 18 6.651 -13.095 3.456 137 HB VAL 18 HB VAL 18 6.843 -10.585 5.136 138 HG11 VAL 18 HG11 VAL 18 8.784 -11.663 6.170 139 HG12 VAL 18 HG12 VAL 18 8.464 -13.130 5.244 140 HG13 VAL 18 3HG1 VAL 18 7.305 -12.578 6.455 141 HG21 VAL 18 HG21 VAL 18 7.792 -10.262 2.928 142 HG22 VAL 18 HG22 VAL 18 8.730 -11.746 3.092 143 HG23 VAL 18 HG23 VAL 18 9.080 -10.366 4.131 144 H ALA 19 H ALA 19 4.490 -10.948 5.320 145 HA ALA 19 HA ALA 19 4.085 -12.884 7.361 146 HB1 ALA 19 HB1 ALA 19 3.998 -10.468 7.780 147 HB2 ALA 19 HB2 ALA 19 2.544 -11.301 8.328 148 HB3 ALA 19 HB3 ALA 19 2.514 -10.372 6.828 149 H GLU 20 H GLU 20 2.132 -11.878 4.591 150 HA GLU 20 HA GLU 20 0.011 -13.685 5.441 151 HB2 GLU 20 HB2 GLU 20 0.168 -11.886 3.015 152 HB3 GLU 20 HB1 GLU 20 -1.240 -12.796 3.532 153 HG2 GLU 20 HG2 GLU 20 0.060 -10.552 5.067 154 HG3 GLU 20 HG1 GLU 20 -1.403 -10.422 4.094 155 H HIS 21 H HIS 21 1.988 -13.091 2.577 156 HA HIS 21 HA HIS 21 2.968 -14.359 1.043 157 HB2 HIS 21 HB2 HIS 21 3.795 -15.833 2.848 158 HB3 HIS 21 HB1 HIS 21 2.303 -16.759 2.784 159 HD1 HIS 21 HD1 HIS 21 5.427 -16.093 0.717 160 HD2 HIS 21 HD2 HIS 21 2.253 -18.763 0.914 161 HE1 HIS 21 HE1 HIS 21 5.970 -17.933 -0.902 162 H GLY 22 H GLY 22 -0.032 -15.798 2.109 163 HA2 GLY 22 HA2 GLY 22 -0.846 -17.014 -0.265 164 HA3 GLY 22 HA1 GLY 22 -1.925 -16.400 0.980 165 H VAL 23 H VAL 23 -1.800 -16.384 -2.043 166 HA VAL 23 HA VAL 23 -1.318 -13.854 -3.066 167 HB VAL 23 HB VAL 23 -3.351 -15.857 -4.079 168 HG11 VAL 23 HG11 VAL 23 -1.899 -13.646 -5.526 169 HG12 VAL 23 HG12 VAL 23 -3.613 -13.672 -5.114 170 HG13 VAL 23 3HG1 VAL 23 -2.966 -14.835 -6.272 171 HG21 VAL 23 HG21 VAL 23 -1.171 -16.902 -3.817 172 HG22 VAL 23 HG22 VAL 23 -0.414 -15.590 -4.721 173 HG23 VAL 23 HG23 VAL 23 -1.541 -16.680 -5.527 174 H GLU 24 H GLU 24 -4.359 -15.222 -1.857 175 HA GLU 24 HA GLU 24 -5.984 -13.016 -2.491 176 HB2 GLU 24 HB2 GLU 24 -6.719 -15.360 -1.987 177 HB3 GLU 24 HB1 GLU 24 -6.382 -15.034 -0.295 178 HG2 GLU 24 HG2 GLU 24 -8.693 -14.765 -0.625 179 HG3 GLU 24 HG1 GLU 24 -7.984 -13.161 -0.404 180 H ARG 25 H ARG 25 -4.217 -13.944 0.435 181 HA ARG 25 HA ARG 25 -5.235 -11.812 2.025 182 HB2 ARG 25 HB2 ARG 25 -2.818 -13.577 2.401 183 HB3 ARG 25 HB1 ARG 25 -3.374 -12.410 3.598 184 HG2 ARG 25 HG2 ARG 25 -5.010 -14.706 2.558 185 HG3 ARG 25 HG1 ARG 25 -4.089 -14.738 4.066 186 HD2 ARG 25 HD2 ARG 25 -5.456 -12.987 4.969 187 HD3 ARG 25 HD1 ARG 25 -6.270 -12.748 3.425 188 HE ARG 25 HE ARG 25 -6.516 -15.411 4.358 189 HH11 ARG 25 HH11 ARG 25 -7.814 -12.161 4.942 190 HH12 ARG 25 HH12 ARG 25 -9.384 -12.727 5.318 191 HH21 ARG 25 HH21 ARG 25 -8.668 -16.145 4.875 192 HH22 ARG 25 HH22 ARG 25 -9.890 -15.013 5.265 193 H GLN 26 H GLN 26 -2.334 -12.222 0.092 194 HA GLN 26 HA GLN 26 -1.199 -9.728 0.780 195 HB2 GLN 26 HB2 GLN 26 0.046 -11.583 -0.330 196 HB3 GLN 26 HB1 GLN 26 -0.880 -11.281 -1.794 197 HG2 GLN 26 HG2 GLN 26 0.054 -9.004 -1.886 198 HG3 GLN 26 HG1 GLN 26 1.019 -9.362 -0.458 199 HE21 GLN 26 1HE2 GLN 26 0.384 -11.596 -3.078 200 HE22 GLN 26 2HE2 GLN 26 2.001 -11.700 -3.646 201 H ARG 27 H ARG 27 -3.393 -10.797 -1.767 202 HA ARG 27 HA ARG 27 -3.691 -8.446 -3.228 203 HB2 ARG 27 HB2 ARG 27 -4.578 -10.603 -3.953 204 HB3 ARG 27 HB1 ARG 27 -5.711 -10.603 -2.618 205 HG2 ARG 27 HG2 ARG 27 -6.858 -8.674 -3.584 206 HG3 ARG 27 HG1 ARG 27 -5.713 -8.665 -4.927 207 HD2 ARG 27 HD2 ARG 27 -7.564 -10.933 -4.202 208 HD3 ARG 27 HD1 ARG 27 -7.806 -9.796 -5.526 209 HE ARG 27 HE ARG 27 -5.588 -10.680 -6.352 210 HH11 ARG 27 HH11 ARG 27 -7.782 -12.745 -4.445 211 HH12 ARG 27 HH12 ARG 27 -7.363 -14.155 -5.314 212 HH21 ARG 27 HH21 ARG 27 -5.038 -12.641 -7.465 213 HH22 ARG 27 HH22 ARG 27 -5.800 -14.114 -7.015 214 H ARG 28 H ARG 28 -5.259 -9.534 -0.295 215 HA ARG 28 HA ARG 28 -7.163 -7.516 0.033 216 HB2 ARG 28 HB2 ARG 28 -7.217 -9.489 1.412 217 HB3 ARG 28 HB1 ARG 28 -5.605 -9.177 2.018 218 HG2 ARG 28 HG2 ARG 28 -7.259 -8.714 3.710 219 HG3 ARG 28 HG1 ARG 28 -6.433 -7.237 3.231 220 HD2 ARG 28 HD2 ARG 28 -8.348 -6.632 1.827 221 HD3 ARG 28 HD1 ARG 28 -9.179 -8.110 2.324 222 HE ARG 28 HE ARG 28 -8.474 -6.865 4.640 223 HH11 ARG 28 HH11 ARG 28 -10.497 -5.968 1.854 224 HH12 ARG 28 HH12 ARG 28 -11.472 -4.910 2.759 225 HH21 ARG 28 HH21 ARG 28 -9.811 -5.367 5.846 226 HH22 ARG 28 HH22 ARG 28 -11.084 -4.561 5.051 227 H CYS 29 H CYS 29 -3.817 -7.705 1.202 228 HA CYS 29 HA CYS 29 -3.699 -5.152 2.359 229 HB2 CYS 29 HB2 CYS 29 -1.505 -6.817 1.129 230 HB3 CYS 29 HB1 CYS 29 -1.276 -5.450 2.209 231 H GLN 30 H GLN 30 -2.787 -6.353 -0.841 232 HA GLN 30 HA GLN 30 -1.774 -3.964 -1.897 233 HB2 GLN 30 HB2 GLN 30 -2.964 -6.371 -3.259 234 HB3 GLN 30 HB1 GLN 30 -2.159 -5.060 -4.107 235 HG2 GLN 30 HG2 GLN 30 -0.076 -5.560 -3.065 236 HG3 GLN 30 HG1 GLN 30 -0.841 -6.707 -1.967 237 HE21 GLN 30 1HE2 GLN 30 1.346 -7.085 -3.896 238 HE22 GLN 30 2HE2 GLN 30 0.818 -8.346 -4.936 239 H GLN 31 H GLN 31 -5.037 -5.063 -1.545 240 HA GLN 31 HA GLN 31 -6.090 -3.125 -3.390 241 HB2 GLN 31 HB2 GLN 31 -7.206 -5.278 -3.113 242 HB3 GLN 31 HB1 GLN 31 -7.444 -4.964 -1.407 243 HG2 GLN 31 HG2 GLN 31 -9.492 -4.677 -2.721 244 HG3 GLN 31 HG1 GLN 31 -9.005 -3.192 -1.910 245 HE21 GLN 31 1HE2 GLN 31 -9.323 -4.814 -4.980 246 HE22 GLN 31 2HE2 GLN 31 -9.132 -3.396 -5.937 247 H VAL 32 H VAL 32 -6.271 -3.576 0.145 248 HA VAL 32 HA VAL 32 -7.662 -1.136 0.547 249 HB VAL 32 HB VAL 32 -6.148 -2.765 2.605 250 HG11 VAL 32 HG11 VAL 32 -8.343 -0.716 2.956 251 HG12 VAL 32 HG12 VAL 32 -6.649 -0.501 3.395 252 HG13 VAL 32 3HG1 VAL 32 -7.635 -1.694 4.243 253 HG21 VAL 32 HG21 VAL 32 -8.328 -3.761 3.115 254 HG22 VAL 32 HG22 VAL 32 -7.826 -4.093 1.456 255 HG23 VAL 32 HG23 VAL 32 -9.044 -2.859 1.780 256 H CYS 33 H CYS 33 -4.225 -1.969 0.863 257 HA CYS 33 HA CYS 33 -3.548 0.582 1.902 258 HB2 CYS 33 HB2 CYS 33 -1.778 -1.520 0.631 259 HB3 CYS 33 HB1 CYS 33 -1.195 -0.097 1.494 260 H GLU 34 H GLU 34 -3.951 -0.658 -1.339 261 HA GLU 34 HA GLU 34 -2.580 1.586 -2.489 262 HB2 GLU 34 HB2 GLU 34 -2.576 -0.640 -3.584 263 HB3 GLU 34 HB1 GLU 34 -4.299 -0.494 -3.842 264 HG2 GLU 34 HG2 GLU 34 -4.003 1.305 -5.369 265 HG3 GLU 34 HG1 GLU 34 -2.293 1.440 -4.959 266 H LYS 35 H LYS 35 -5.825 0.707 -1.639 267 HA LYS 35 HA LYS 35 -7.189 2.722 -3.029 268 HB2 LYS 35 HB2 LYS 35 -8.393 0.925 -1.913 269 HB3 LYS 35 HB1 LYS 35 -7.801 1.454 -0.346 270 HG2 LYS 35 HG2 LYS 35 -9.060 3.536 -0.562 271 HG3 LYS 35 HG1 LYS 35 -9.647 3.019 -2.140 272 HD2 LYS 35 HD2 LYS 35 -10.143 1.514 0.425 273 HD3 LYS 35 HD1 LYS 35 -11.262 2.692 -0.256 274 HE2 LYS 35 HE2 LYS 35 -10.344 0.133 -1.585 275 HE3 LYS 35 HE1 LYS 35 -11.909 0.410 -0.829 276 HZ1 LYS 35 HZ1 LYS 35 -12.342 2.152 -2.473 277 HZ2 LYS 35 HZ2 LYS 35 -12.045 0.670 -3.215 278 HZ3 LYS 35 HZ3 LYS 35 -10.859 1.830 -3.211 279 H ARG 36 H ARG 36 -5.642 2.693 0.125 280 HA ARG 36 HA ARG 36 -6.217 5.401 0.706 281 HB2 ARG 36 HB2 ARG 36 -4.363 3.392 1.933 282 HB3 ARG 36 HB1 ARG 36 -4.386 5.068 2.477 283 HG2 ARG 36 HG2 ARG 36 -6.716 4.900 3.064 284 HG3 ARG 36 HG1 ARG 36 -6.799 3.276 2.386 285 HD2 ARG 36 HD2 ARG 36 -4.954 4.003 4.643 286 HD3 ARG 36 HD1 ARG 36 -6.609 3.465 4.905 287 HE ARG 36 HE ARG 36 -6.018 1.419 3.769 288 HH11 ARG 36 HH11 ARG 36 -3.271 3.332 4.952 289 HH12 ARG 36 HH12 ARG 36 -2.329 1.957 5.345 290 HH21 ARG 36 HH21 ARG 36 -4.682 -0.456 4.351 291 HH22 ARG 36 HH22 ARG 36 -3.136 -0.187 4.978 292 H LEU 37 H LEU 37 -3.534 3.794 -0.839 293 HA LEU 37 HA LEU 37 -1.751 5.939 -1.124 294 HB2 LEU 37 HB2 LEU 37 -1.236 3.626 -1.803 295 HB3 LEU 37 HB1 LEU 37 -2.443 3.727 -3.066 296 HG LEU 37 HG LEU 37 -1.024 5.610 -4.043 297 HD11 LEU 37 HD11 LEU 37 1.332 5.581 -3.503 298 HD12 LEU 37 HD12 LEU 37 0.990 4.506 -2.143 299 HD13 LEU 37 HD13 LEU 37 0.324 6.129 -2.169 300 HD21 LEU 37 HD21 LEU 37 0.466 4.056 -5.165 301 HD22 LEU 37 HD22 LEU 37 -1.187 3.447 -5.071 302 HD23 LEU 37 HD23 LEU 37 0.052 2.815 -3.983 303 H ARG 38 H ARG 38 -4.329 4.773 -3.214 304 HA ARG 38 HA ARG 38 -4.218 6.565 -5.294 305 HB2 ARG 38 HB2 ARG 38 -5.469 4.389 -5.119 306 HB3 ARG 38 HB1 ARG 38 -6.704 5.245 -4.219 307 HG2 ARG 38 HG2 ARG 38 -7.465 5.075 -6.452 308 HG3 ARG 38 HG1 ARG 38 -6.948 6.750 -6.232 309 HD2 ARG 38 HD2 ARG 38 -6.147 5.905 -8.356 310 HD3 ARG 38 HD1 ARG 38 -4.785 6.198 -7.279 311 HE ARG 38 HE ARG 38 -5.926 3.507 -7.530 312 HH11 ARG 38 HH11 ARG 38 -3.073 5.628 -7.759 313 HH12 ARG 38 HH12 ARG 38 -2.017 4.419 -8.270 314 HH21 ARG 38 HH21 ARG 38 -4.484 1.824 -8.214 315 HH22 ARG 38 HH22 ARG 38 -2.843 2.157 -8.530 316 H GLU 39 H GLU 39 -6.142 6.771 -2.293 317 HA GLU 39 HA GLU 39 -7.334 9.206 -3.167 318 HB2 GLU 39 HB2 GLU 39 -8.313 9.353 -0.872 319 HB3 GLU 39 HB1 GLU 39 -8.681 7.895 -1.780 320 HG2 GLU 39 HG2 GLU 39 -7.113 6.645 -0.512 321 HG3 GLU 39 HG1 GLU 39 -6.557 8.091 0.336 322 H ARG 40 H ARG 40 -4.489 8.500 -1.311 323 HA ARG 40 HA ARG 40 -4.279 11.195 -0.388 324 HB2 ARG 40 HB2 ARG 40 -2.267 8.955 -0.381 325 HB3 ARG 40 HB1 ARG 40 -1.880 10.577 0.176 326 HG2 ARG 40 HG2 ARG 40 -3.763 10.384 1.793 327 HG3 ARG 40 HG1 ARG 40 -3.921 8.691 1.322 328 HD2 ARG 40 HD2 ARG 40 -1.662 8.243 2.054 329 HD3 ARG 40 HD1 ARG 40 -1.412 9.953 2.416 330 HE ARG 40 HE ARG 40 -3.497 8.426 3.781 331 HH11 ARG 40 HH11 ARG 40 -0.522 10.342 3.962 332 HH12 ARG 40 HH12 ARG 40 -0.511 10.423 5.654 333 HH21 ARG 40 HH21 ARG 40 -3.465 8.547 6.146 334 HH22 ARG 40 HH22 ARG 40 -2.220 9.413 6.915 335 H GLU 41 H GLU 41 -2.900 9.386 -3.075 336 HA GLU 41 HA GLU 41 -1.299 11.556 -4.012 337 HB2 GLU 41 HB2 GLU 41 -1.080 10.259 -6.087 338 HB3 GLU 41 HB1 GLU 41 -0.799 9.246 -4.679 339 HG2 GLU 41 HG2 GLU 41 -2.960 8.261 -4.866 340 HG3 GLU 41 HG1 GLU 41 -3.428 9.398 -6.120 341 H GLY 42 H GLY 42 -4.621 10.666 -4.338 342 HA2 GLY 42 HA2 GLY 42 -5.165 12.325 -6.604 343 HA3 GLY 42 HA1 GLY 42 -6.351 11.567 -5.546 344 H ARG 43 H ARG 43 -5.334 12.659 -3.139 345 HA ARG 43 HA ARG 43 -6.687 15.191 -3.253 346 HB2 ARG 43 HB2 ARG 43 -6.885 13.575 -1.351 347 HB3 ARG 43 HB1 ARG 43 -5.223 13.942 -0.924 348 HG2 ARG 43 HG2 ARG 43 -6.691 15.196 0.505 349 HG3 ARG 43 HG1 ARG 43 -5.878 16.304 -0.606 350 HD2 ARG 43 HD2 ARG 43 -8.253 16.855 -0.382 351 HD3 ARG 43 HD1 ARG 43 -7.856 16.354 -2.025 352 HE ARG 43 HE ARG 43 -8.727 14.173 -0.432 353 HH11 ARG 43 HH11 ARG 43 -9.956 16.892 -2.324 354 HH12 ARG 43 HH12 ARG 43 -11.494 16.198 -2.571 355 HH21 ARG 43 HH21 ARG 43 -10.790 13.214 -0.806 356 HH22 ARG 43 HH22 ARG 43 -11.990 14.052 -1.678 357 H ARG 44 H ARG 44 -3.404 14.055 -2.576 358 HA ARG 44 HA ARG 44 -2.429 16.820 -2.837 359 HB2 ARG 44 HB2 ARG 44 -1.220 14.474 -1.395 360 HB3 ARG 44 HB1 ARG 44 -0.478 16.050 -1.561 361 HG2 ARG 44 HG2 ARG 44 -2.278 16.999 -0.178 362 HG3 ARG 44 HG1 ARG 44 -2.979 15.378 -0.015 363 HD2 ARG 44 HD2 ARG 44 -0.860 14.585 0.930 364 HD3 ARG 44 HD1 ARG 44 -0.210 16.215 0.853 365 HE ARG 44 HE ARG 44 -2.636 15.811 2.360 366 HH11 ARG 44 HH11 ARG 44 0.882 16.334 2.374 367 HH12 ARG 44 HH12 ARG 44 0.994 16.545 4.055 368 HH21 ARG 44 HH21 ARG 44 -2.471 16.057 4.735 369 HH22 ARG 44 HH22 ARG 44 -0.943 16.375 5.415 370 H GLU 45 H GLU 45 -1.546 17.011 -4.824 371 HA GLU 45 HA GLU 45 -0.381 14.706 -6.089 372 HB2 GLU 45 HB2 GLU 45 -1.662 16.351 -7.453 373 HB3 GLU 45 HB1 GLU 45 -0.489 17.589 -7.040 374 HG2 GLU 45 HG2 GLU 45 1.236 16.421 -8.257 375 HG3 GLU 45 HG1 GLU 45 0.144 15.075 -8.576 376 H VAL 46 H VAL 46 1.071 14.303 -4.513 377 HA VAL 46 HA VAL 46 3.033 14.191 -3.482 378 HB VAL 46 HB VAL 46 4.105 15.926 -5.742 379 HG11 VAL 46 HG11 VAL 46 5.636 15.881 -3.840 380 HG12 VAL 46 HG12 VAL 46 6.301 14.963 -5.190 381 HG13 VAL 46 3HG1 VAL 46 5.579 14.118 -3.821 382 HG21 VAL 46 HG21 VAL 46 4.033 12.920 -5.465 383 HG22 VAL 46 HG22 VAL 46 4.815 13.813 -6.772 384 HG23 VAL 46 HG23 VAL 46 3.063 13.888 -6.574 385 H ASP 47 H ASP 47 2.267 15.218 -1.682 386 HA ASP 47 HA ASP 47 3.611 17.725 -1.118 387 HB2 ASP 47 HB2 ASP 47 1.321 18.433 -1.741 388 HB3 ASP 47 HB1 ASP 47 0.652 17.327 -0.549 Start of MODEL 12 1 H2 PRO 1 HT1 PRO 1 13.576 9.259 6.687 2 H3 PRO 1 HT2 PRO 1 13.365 9.482 8.275 3 HA PRO 1 HA PRO 1 11.934 11.031 8.036 4 HB2 PRO 1 HB2 PRO 1 12.478 12.193 5.492 5 HB3 PRO 1 HB1 PRO 1 12.639 12.951 7.083 6 HG2 PRO 1 HG2 PRO 1 14.702 11.690 5.391 7 HG3 PRO 1 HG1 PRO 1 14.887 12.893 6.676 8 HD2 PRO 1 HD2 PRO 1 15.657 10.317 7.001 9 HD3 PRO 1 HD1 PRO 1 15.006 11.278 8.343 10 H ARG 2 H ARG 2 10.282 11.564 6.070 11 HA ARG 2 HA ARG 2 9.926 9.012 4.663 12 HB2 ARG 2 HB2 ARG 2 7.515 9.361 4.772 13 HB3 ARG 2 HB1 ARG 2 8.180 9.486 6.383 14 HG2 ARG 2 HG2 ARG 2 8.107 11.950 6.191 15 HG3 ARG 2 HG1 ARG 2 7.339 11.770 4.617 16 HD2 ARG 2 HD2 ARG 2 6.253 10.755 7.241 17 HD3 ARG 2 HD1 ARG 2 5.709 12.204 6.404 18 HE ARG 2 HE ARG 2 5.511 9.854 4.795 19 HH11 ARG 2 HH11 ARG 2 3.893 11.688 7.347 20 HH12 ARG 2 HH12 ARG 2 2.334 11.100 7.010 21 HH21 ARG 2 HH21 ARG 2 3.367 8.959 4.372 22 HH22 ARG 2 HH22 ARG 2 2.023 9.534 5.266 23 H GLY 3 H GLY 3 9.032 9.179 2.496 24 HA2 GLY 3 HA2 GLY 3 8.591 11.560 1.149 25 HA3 GLY 3 HA1 GLY 3 10.298 11.158 0.975 26 H SER 4 H SER 4 8.028 11.199 -0.929 27 HA SER 4 HA SER 4 7.330 10.148 -2.752 28 HB2 SER 4 HB2 SER 4 9.494 8.109 -2.152 29 HB3 SER 4 HB1 SER 4 8.621 8.249 -3.680 30 HG SER 4 HG SER 4 9.937 10.491 -2.621 31 HA PRO 5 HA PRO 5 4.231 7.919 -0.322 32 HB2 PRO 5 HB2 PRO 5 2.615 7.560 -2.636 33 HB3 PRO 5 HB1 PRO 5 2.414 8.751 -1.352 34 HG2 PRO 5 HG2 PRO 5 3.536 9.067 -4.039 35 HG3 PRO 5 HG1 PRO 5 2.891 10.275 -2.937 36 HD2 PRO 5 HD2 PRO 5 5.537 9.999 -3.518 37 HD3 PRO 5 HD1 PRO 5 4.932 10.714 -2.013 38 H ARG 6 H ARG 6 5.357 6.811 -3.423 39 HA ARG 6 HA ARG 6 4.394 4.222 -3.472 40 HB2 ARG 6 HB2 ARG 6 6.260 3.658 -4.945 41 HB3 ARG 6 HB1 ARG 6 5.463 5.161 -5.399 42 HG2 ARG 6 HG2 ARG 6 7.327 6.374 -4.234 43 HG3 ARG 6 HG1 ARG 6 8.132 4.815 -4.046 44 HD2 ARG 6 HD2 ARG 6 8.969 5.988 -6.011 45 HD3 ARG 6 HD1 ARG 6 8.106 4.519 -6.481 46 HE ARG 6 HE ARG 6 6.239 6.502 -6.535 47 HH11 ARG 6 HH11 ARG 6 9.314 5.948 -8.230 48 HH12 ARG 6 HH12 ARG 6 8.842 6.850 -9.587 49 HH21 ARG 6 HH21 ARG 6 5.624 7.686 -8.413 50 HH22 ARG 6 HH22 ARG 6 6.704 7.844 -9.711 51 H THR 7 H THR 7 6.999 5.441 -1.559 52 HA THR 7 HA THR 7 8.279 2.973 -1.020 53 HB THR 7 HB THR 7 9.334 4.159 0.902 54 HG1 THR 7 HG1 THR 7 7.998 6.531 0.128 55 HG21 THR 7 HG21 THR 7 10.478 5.864 -0.424 56 HG22 THR 7 HG22 THR 7 9.199 5.793 -1.633 57 HG23 THR 7 HG23 THR 7 10.243 4.397 -1.376 58 H GLU 8 H GLU 8 5.797 4.777 0.704 59 HA GLU 8 HA GLU 8 5.561 3.003 2.908 60 HB2 GLU 8 HB2 GLU 8 3.567 4.946 1.777 61 HB3 GLU 8 HB1 GLU 8 3.454 4.193 3.362 62 HG2 GLU 8 HG2 GLU 8 5.643 5.237 3.937 63 HG3 GLU 8 HG1 GLU 8 5.566 6.110 2.414 64 H TYR 9 H TYR 9 3.932 3.319 -0.167 65 HA TYR 9 HA TYR 9 1.957 1.400 0.214 66 HB2 TYR 9 HB2 TYR 9 1.626 2.888 -1.529 67 HB3 TYR 9 HB1 TYR 9 3.285 2.773 -2.092 68 HD1 TYR 9 HD1 TYR 9 3.946 1.113 -3.479 69 HD2 TYR 9 HD2 TYR 9 -0.006 1.242 -2.145 70 HE1 TYR 9 HE1 TYR 9 3.370 -0.556 -5.226 71 HE2 TYR 9 HE2 TYR 9 -0.694 -0.422 -3.853 72 HH TYR 9 HH TYR 9 1.621 -2.267 -5.552 73 H GLU 10 H GLU 10 5.210 1.289 -1.136 74 HA GLU 10 HA GLU 10 5.268 -1.393 -1.889 75 HB2 GLU 10 HB2 GLU 10 6.810 0.464 -2.575 76 HB3 GLU 10 HB1 GLU 10 7.559 0.333 -1.002 77 HG2 GLU 10 HG2 GLU 10 8.307 -1.893 -1.482 78 HG3 GLU 10 HG1 GLU 10 7.444 -1.881 -3.024 79 H ALA 11 H ALA 11 6.317 0.247 1.081 80 HA ALA 11 HA ALA 11 7.350 -1.933 2.469 81 HB1 ALA 11 HB1 ALA 11 7.614 0.397 3.178 82 HB2 ALA 11 HB2 ALA 11 6.964 -0.594 4.485 83 HB3 ALA 11 HB3 ALA 11 5.898 0.471 3.572 84 H CYS 12 H CYS 12 4.070 -0.667 2.366 85 HA CYS 12 HA CYS 12 2.787 -2.418 4.112 86 HB2 CYS 12 HB2 CYS 12 1.755 -0.375 3.189 87 HB3 CYS 12 HB1 CYS 12 1.743 -1.093 1.588 88 H ARG 13 H ARG 13 3.478 -2.721 0.673 89 HA ARG 13 HA ARG 13 2.192 -5.221 0.296 90 HB2 ARG 13 HB2 ARG 13 4.341 -3.820 -1.305 91 HB3 ARG 13 HB1 ARG 13 3.508 -5.276 -1.832 92 HG2 ARG 13 HG2 ARG 13 2.041 -2.746 -1.144 93 HG3 ARG 13 HG1 ARG 13 2.662 -3.066 -2.760 94 HD2 ARG 13 HD2 ARG 13 0.802 -4.941 -1.294 95 HD3 ARG 13 HD1 ARG 13 0.242 -3.674 -2.387 96 HE ARG 13 HE ARG 13 2.048 -4.977 -3.869 97 HH11 ARG 13 HH11 ARG 13 -0.664 -6.288 -1.999 98 HH12 ARG 13 HH12 ARG 13 -1.002 -7.504 -3.149 99 HH21 ARG 13 HH21 ARG 13 1.543 -6.647 -5.399 100 HH22 ARG 13 HH22 ARG 13 0.240 -7.692 -5.107 101 H VAL 14 H VAL 14 5.527 -4.270 0.976 102 HA VAL 14 HA VAL 14 6.730 -6.795 0.873 103 HB VAL 14 HB VAL 14 7.488 -4.373 2.550 104 HG11 VAL 14 HG11 VAL 14 9.709 -5.386 2.791 105 HG12 VAL 14 HG12 VAL 14 9.138 -6.841 1.973 106 HG13 VAL 14 3HG1 VAL 14 8.469 -6.392 3.541 107 HG21 VAL 14 HG21 VAL 14 9.191 -4.031 0.828 108 HG22 VAL 14 HG22 VAL 14 7.565 -4.006 0.144 109 HG23 VAL 14 HG23 VAL 14 8.583 -5.432 -0.053 110 H ARG 15 H ARG 15 5.160 -5.145 3.578 111 HA ARG 15 HA ARG 15 5.675 -7.095 5.523 112 HB2 ARG 15 HB2 ARG 15 4.809 -4.897 6.136 113 HB3 ARG 15 HB1 ARG 15 3.301 -5.235 5.300 114 HG2 ARG 15 HG2 ARG 15 2.771 -6.987 6.888 115 HG3 ARG 15 HG1 ARG 15 4.321 -6.753 7.695 116 HD2 ARG 15 HD2 ARG 15 2.162 -4.668 7.446 117 HD3 ARG 15 HD1 ARG 15 2.439 -5.669 8.870 118 HE ARG 15 HE ARG 15 4.839 -4.552 8.456 119 HH11 ARG 15 HH11 ARG 15 1.622 -3.211 8.806 120 HH12 ARG 15 HH12 ARG 15 2.140 -1.702 9.417 121 HH21 ARG 15 HH21 ARG 15 5.584 -2.500 9.351 122 HH22 ARG 15 HH22 ARG 15 4.443 -1.293 9.714 123 H CYS 16 H CYS 16 3.050 -6.823 3.198 124 HA CYS 16 HA CYS 16 1.770 -9.168 4.138 125 HB2 CYS 16 HB2 CYS 16 1.462 -7.599 1.605 126 HB3 CYS 16 HB1 CYS 16 0.500 -9.034 1.969 127 H GLN 17 H GLN 17 4.302 -8.617 1.828 128 HA GLN 17 HA GLN 17 4.190 -11.160 0.594 129 HB2 GLN 17 HB2 GLN 17 6.507 -9.259 0.951 130 HB3 GLN 17 HB1 GLN 17 6.570 -10.709 -0.039 131 HG2 GLN 17 HG2 GLN 17 4.895 -9.837 -1.513 132 HG3 GLN 17 HG1 GLN 17 4.642 -8.441 -0.466 133 HE21 GLN 17 1HE2 GLN 17 5.137 -7.019 -2.066 134 HE22 GLN 17 2HE2 GLN 17 6.732 -6.737 -2.645 135 H VAL 18 H VAL 18 5.830 -9.976 3.464 136 HA VAL 18 HA VAL 18 7.065 -12.535 3.889 137 HB VAL 18 HB VAL 18 8.351 -10.582 4.541 138 HG11 VAL 18 HG11 VAL 18 6.608 -9.037 5.129 139 HG12 VAL 18 HG12 VAL 18 7.768 -9.179 6.452 140 HG13 VAL 18 3HG1 VAL 18 6.205 -9.992 6.555 141 HG21 VAL 18 HG21 VAL 18 7.534 -12.216 6.924 142 HG22 VAL 18 HG22 VAL 18 8.970 -11.197 6.833 143 HG23 VAL 18 HG23 VAL 18 8.812 -12.595 5.765 144 H ALA 19 H ALA 19 4.401 -10.767 5.422 145 HA ALA 19 HA ALA 19 4.065 -12.894 7.337 146 HB1 ALA 19 HB1 ALA 19 2.343 -10.465 6.889 147 HB2 ALA 19 HB2 ALA 19 3.726 -10.548 7.977 148 HB3 ALA 19 HB3 ALA 19 2.301 -11.539 8.288 149 H GLU 20 H GLU 20 2.095 -11.549 4.722 150 HA GLU 20 HA GLU 20 0.016 -13.453 5.189 151 HB2 GLU 20 HB2 GLU 20 0.364 -11.359 3.060 152 HB3 GLU 20 HB1 GLU 20 -1.081 -12.337 3.275 153 HG2 GLU 20 HG2 GLU 20 0.066 -10.467 5.344 154 HG3 GLU 20 HG1 GLU 20 -1.280 -10.086 4.272 155 H HIS 21 H HIS 21 1.977 -12.751 2.306 156 HA HIS 21 HA HIS 21 2.859 -14.013 0.669 157 HB2 HIS 21 HB2 HIS 21 3.815 -15.422 2.438 158 HB3 HIS 21 HB1 HIS 21 2.334 -16.356 2.522 159 HD1 HIS 21 HD1 HIS 21 5.593 -16.202 0.789 160 HD2 HIS 21 HD2 HIS 21 1.930 -18.079 0.241 161 HE1 HIS 21 HE1 HIS 21 6.006 -18.076 -0.829 162 H GLY 22 H GLY 22 0.013 -15.706 1.889 163 HA2 GLY 22 HA2 GLY 22 -0.670 -17.061 -0.456 164 HA3 GLY 22 HA1 GLY 22 -1.773 -16.714 0.858 165 H VAL 23 H VAL 23 -2.233 -16.805 -1.976 166 HA VAL 23 HA VAL 23 -2.301 -14.394 -3.375 167 HB VAL 23 HB VAL 23 -4.237 -16.709 -3.617 168 HG11 VAL 23 HG11 VAL 23 -5.081 -14.746 -4.767 169 HG12 VAL 23 HG12 VAL 23 -4.551 -15.957 -5.937 170 HG13 VAL 23 3HG1 VAL 23 -3.539 -14.550 -5.601 171 HG21 VAL 23 HG21 VAL 23 -2.745 -17.496 -5.401 172 HG22 VAL 23 HG22 VAL 23 -1.938 -17.441 -3.835 173 HG23 VAL 23 HG23 VAL 23 -1.630 -16.182 -5.027 174 H GLU 24 H GLU 24 -4.811 -15.831 -1.368 175 HA GLU 24 HA GLU 24 -6.815 -13.930 -1.893 176 HB2 GLU 24 HB2 GLU 24 -6.406 -15.651 0.556 177 HB3 GLU 24 HB1 GLU 24 -7.881 -14.791 0.155 178 HG2 GLU 24 HG2 GLU 24 -8.220 -16.126 -1.798 179 HG3 GLU 24 HG1 GLU 24 -6.645 -16.891 -1.609 180 H ARG 25 H ARG 25 -4.427 -14.140 0.669 181 HA ARG 25 HA ARG 25 -5.224 -11.780 2.035 182 HB2 ARG 25 HB2 ARG 25 -2.574 -13.213 2.015 183 HB3 ARG 25 HB1 ARG 25 -3.068 -11.975 3.166 184 HG2 ARG 25 HG2 ARG 25 -4.812 -13.417 4.008 185 HG3 ARG 25 HG1 ARG 25 -4.394 -14.660 2.830 186 HD2 ARG 25 HD2 ARG 25 -2.141 -14.784 3.802 187 HD3 ARG 25 HD1 ARG 25 -2.603 -13.568 4.986 188 HE ARG 25 HE ARG 25 -4.201 -15.971 4.883 189 HH11 ARG 25 HH11 ARG 25 -1.728 -14.060 6.599 190 HH12 ARG 25 HH12 ARG 25 -1.625 -15.128 7.910 191 HH21 ARG 25 HH21 ARG 25 -4.029 -17.434 6.708 192 HH22 ARG 25 HH22 ARG 25 -2.945 -17.092 7.985 193 H GLN 26 H GLN 26 -2.806 -12.516 -0.414 194 HA GLN 26 HA GLN 26 -1.465 -10.106 -0.662 195 HB2 GLN 26 HB2 GLN 26 -0.878 -12.268 -1.774 196 HB3 GLN 26 HB1 GLN 26 -2.254 -12.083 -2.829 197 HG2 GLN 26 HG2 GLN 26 0.095 -10.184 -2.810 198 HG3 GLN 26 HG1 GLN 26 0.013 -11.614 -3.823 199 HE21 GLN 26 1HE2 GLN 26 -1.525 -11.643 -5.486 200 HE22 GLN 26 2HE2 GLN 26 -2.192 -10.209 -6.151 201 H ARG 27 H ARG 27 -4.349 -11.234 -2.343 202 HA ARG 27 HA ARG 27 -4.956 -8.976 -3.842 203 HB2 ARG 27 HB2 ARG 27 -6.020 -11.106 -4.225 204 HB3 ARG 27 HB1 ARG 27 -6.758 -11.067 -2.636 205 HG2 ARG 27 HG2 ARG 27 -8.149 -9.183 -3.322 206 HG3 ARG 27 HG1 ARG 27 -7.385 -9.201 -4.914 207 HD2 ARG 27 HD2 ARG 27 -8.218 -11.406 -5.349 208 HD3 ARG 27 HD1 ARG 27 -8.853 -11.537 -3.712 209 HE ARG 27 HE ARG 27 -9.941 -9.320 -5.082 210 HH11 ARG 27 HH11 ARG 27 -10.139 -12.849 -4.878 211 HH12 ARG 27 HH12 ARG 27 -11.771 -12.946 -5.340 212 HH21 ARG 27 HH21 ARG 27 -12.238 -9.453 -5.726 213 HH22 ARG 27 HH22 ARG 27 -12.999 -10.972 -5.796 214 H ARG 28 H ARG 28 -5.741 -9.697 -0.475 215 HA ARG 28 HA ARG 28 -7.480 -7.479 -0.091 216 HB2 ARG 28 HB2 ARG 28 -5.789 -8.894 1.982 217 HB3 ARG 28 HB1 ARG 28 -7.110 -7.789 2.322 218 HG2 ARG 28 HG2 ARG 28 -8.618 -9.383 1.131 219 HG3 ARG 28 HG1 ARG 28 -7.263 -10.507 1.070 220 HD2 ARG 28 HD2 ARG 28 -8.511 -9.356 3.562 221 HD3 ARG 28 HD1 ARG 28 -8.718 -10.994 2.962 222 HE ARG 28 HE ARG 28 -6.015 -10.086 3.617 223 HH11 ARG 28 HH11 ARG 28 -8.798 -12.138 4.421 224 HH12 ARG 28 HH12 ARG 28 -7.999 -12.980 5.653 225 HH21 ARG 28 HH21 ARG 28 -4.889 -11.301 5.316 226 HH22 ARG 28 HH22 ARG 28 -5.731 -12.517 6.141 227 H CYS 29 H CYS 29 -4.055 -8.008 0.650 228 HA CYS 29 HA CYS 29 -3.479 -5.440 1.570 229 HB2 CYS 29 HB2 CYS 29 -1.727 -7.472 0.204 230 HB3 CYS 29 HB1 CYS 29 -1.140 -6.043 1.045 231 H GLN 30 H GLN 30 -3.594 -6.791 -1.633 232 HA GLN 30 HA GLN 30 -2.356 -4.799 -3.135 233 HB2 GLN 30 HB2 GLN 30 -3.113 -7.078 -3.866 234 HB3 GLN 30 HB1 GLN 30 -4.755 -6.462 -3.893 235 HG2 GLN 30 HG2 GLN 30 -4.072 -4.833 -5.589 236 HG3 GLN 30 HG1 GLN 30 -2.462 -5.560 -5.599 237 HE21 GLN 30 1HE2 GLN 30 -2.225 -7.654 -6.407 238 HE22 GLN 30 2HE2 GLN 30 -3.420 -8.372 -7.423 239 H GLN 31 H GLN 31 -5.639 -5.142 -1.951 240 HA GLN 31 HA GLN 31 -6.584 -2.726 -3.171 241 HB2 GLN 31 HB2 GLN 31 -8.060 -4.639 -2.790 242 HB3 GLN 31 HB1 GLN 31 -7.807 -4.500 -1.058 243 HG2 GLN 31 HG2 GLN 31 -8.846 -2.263 -1.121 244 HG3 GLN 31 HG1 GLN 31 -9.166 -2.491 -2.837 245 HE21 GLN 31 1HE2 GLN 31 -9.760 -5.338 -2.467 246 HE22 GLN 31 2HE2 GLN 31 -11.325 -5.385 -1.754 247 H VAL 32 H VAL 32 -5.939 -3.803 0.159 248 HA VAL 32 HA VAL 32 -6.582 -1.431 1.468 249 HB VAL 32 HB VAL 32 -4.592 -3.547 2.356 250 HG11 VAL 32 HG11 VAL 32 -4.278 -1.469 3.608 251 HG12 VAL 32 HG12 VAL 32 -4.983 -2.718 4.632 252 HG13 VAL 32 3HG1 VAL 32 -5.998 -1.427 3.989 253 HG21 VAL 32 HG21 VAL 32 -6.824 -4.440 1.954 254 HG22 VAL 32 HG22 VAL 32 -7.518 -3.195 2.995 255 HG23 VAL 32 HG23 VAL 32 -6.450 -4.421 3.677 256 H CYS 33 H CYS 33 -3.343 -2.519 0.395 257 HA CYS 33 HA CYS 33 -2.010 -0.253 1.405 258 HB2 CYS 33 HB2 CYS 33 -1.158 -2.039 -0.888 259 HB3 CYS 33 HB1 CYS 33 -0.118 -0.918 -0.021 260 H GLU 34 H GLU 34 -3.706 -0.826 -1.613 261 HA GLU 34 HA GLU 34 -2.675 1.498 -2.922 262 HB2 GLU 34 HB2 GLU 34 -3.535 -0.388 -4.221 263 HB3 GLU 34 HB1 GLU 34 -5.122 -0.180 -3.499 264 HG2 GLU 34 HG2 GLU 34 -5.322 2.014 -4.561 265 HG3 GLU 34 HG1 GLU 34 -3.732 1.808 -5.288 266 H LYS 35 H LYS 35 -5.659 0.634 -1.254 267 HA LYS 35 HA LYS 35 -6.979 3.067 -1.610 268 HB2 LYS 35 HB2 LYS 35 -8.115 0.991 -0.936 269 HB3 LYS 35 HB1 LYS 35 -7.325 1.071 0.632 270 HG2 LYS 35 HG2 LYS 35 -8.474 3.145 1.148 271 HG3 LYS 35 HG1 LYS 35 -9.215 3.151 -0.448 272 HD2 LYS 35 HD2 LYS 35 -9.661 1.078 1.702 273 HD3 LYS 35 HD1 LYS 35 -10.764 2.383 1.290 274 HE2 LYS 35 HE2 LYS 35 -9.946 0.110 -0.539 275 HE3 LYS 35 HE1 LYS 35 -11.486 0.276 0.282 276 HZ1 LYS 35 HZ1 LYS 35 -10.427 2.087 -1.814 277 HZ2 LYS 35 HZ2 LYS 35 -11.895 2.310 -1.008 278 HZ3 LYS 35 HZ3 LYS 35 -11.664 0.968 -1.997 279 H ARG 36 H ARG 36 -4.974 1.910 1.076 280 HA ARG 36 HA ARG 36 -5.270 4.239 2.638 281 HB2 ARG 36 HB2 ARG 36 -3.085 2.153 2.623 282 HB3 ARG 36 HB1 ARG 36 -3.186 3.449 3.807 283 HG2 ARG 36 HG2 ARG 36 -5.291 1.333 3.372 284 HG3 ARG 36 HG1 ARG 36 -4.077 1.317 4.651 285 HD2 ARG 36 HD2 ARG 36 -6.196 3.439 4.255 286 HD3 ARG 36 HD1 ARG 36 -6.233 2.158 5.458 287 HE ARG 36 HE ARG 36 -4.015 3.217 6.194 288 HH11 ARG 36 HH11 ARG 36 -6.836 5.062 5.038 289 HH12 ARG 36 HH12 ARG 36 -6.454 6.435 5.962 290 HH21 ARG 36 HH21 ARG 36 -3.518 5.084 7.398 291 HH22 ARG 36 HH22 ARG 36 -4.500 6.471 7.334 292 H LEU 37 H LEU 37 -3.012 3.398 0.105 293 HA LEU 37 HA LEU 37 -1.315 5.643 0.412 294 HB2 LEU 37 HB2 LEU 37 -0.862 3.470 -0.849 295 HB3 LEU 37 HB1 LEU 37 -1.897 4.071 -2.114 296 HG LEU 37 HG LEU 37 0.568 4.236 -2.561 297 HD11 LEU 37 HD11 LEU 37 -0.940 6.827 -2.597 298 HD12 LEU 37 HD12 LEU 37 -0.922 5.566 -3.840 299 HD13 LEU 37 HD13 LEU 37 0.547 6.471 -3.487 300 HD21 LEU 37 HD21 LEU 37 1.243 4.810 -0.298 301 HD22 LEU 37 HD22 LEU 37 0.473 6.396 -0.466 302 HD23 LEU 37 HD23 LEU 37 1.848 5.958 -1.483 303 H ARG 38 H ARG 38 -4.141 4.948 -1.560 304 HA ARG 38 HA ARG 38 -4.311 7.420 -2.901 305 HB2 ARG 38 HB2 ARG 38 -5.423 5.357 -3.665 306 HB3 ARG 38 HB1 ARG 38 -6.465 5.397 -2.255 307 HG2 ARG 38 HG2 ARG 38 -7.497 7.456 -3.068 308 HG3 ARG 38 HG1 ARG 38 -6.423 7.440 -4.469 309 HD2 ARG 38 HD2 ARG 38 -7.349 5.354 -5.221 310 HD3 ARG 38 HD1 ARG 38 -8.334 5.219 -3.770 311 HE ARG 38 HE ARG 38 -8.831 7.602 -5.270 312 HH11 ARG 38 HH11 ARG 38 -9.710 4.183 -4.950 313 HH12 ARG 38 HH12 ARG 38 -11.209 4.327 -5.730 314 HH21 ARG 38 HH21 ARG 38 -10.924 7.823 -6.344 315 HH22 ARG 38 HH22 ARG 38 -11.914 6.463 -6.544 316 H GLU 39 H GLU 39 -5.490 6.306 0.213 317 HA GLU 39 HA GLU 39 -7.005 8.645 0.778 318 HB2 GLU 39 HB2 GLU 39 -5.832 6.574 2.612 319 HB3 GLU 39 HB1 GLU 39 -6.776 7.932 3.187 320 HG2 GLU 39 HG2 GLU 39 -8.652 7.109 1.752 321 HG3 GLU 39 HG1 GLU 39 -7.679 5.666 1.443 322 H ARG 40 H ARG 40 -3.670 7.719 1.298 323 HA ARG 40 HA ARG 40 -2.894 9.798 3.037 324 HB2 ARG 40 HB2 ARG 40 -1.563 7.698 2.176 325 HB3 ARG 40 HB1 ARG 40 -1.073 8.772 0.875 326 HG2 ARG 40 HG2 ARG 40 -0.418 10.379 2.801 327 HG3 ARG 40 HG1 ARG 40 -0.443 8.914 3.778 328 HD2 ARG 40 HD2 ARG 40 1.787 9.097 3.087 329 HD3 ARG 40 HD1 ARG 40 1.094 7.924 1.963 330 HE ARG 40 HE ARG 40 0.728 10.165 0.599 331 HH11 ARG 40 HH11 ARG 40 3.691 8.936 2.136 332 HH12 ARG 40 HH12 ARG 40 4.698 10.013 1.281 333 HH21 ARG 40 HH21 ARG 40 2.069 11.542 -0.509 334 HH22 ARG 40 HH22 ARG 40 3.775 11.551 -0.265 335 H GLU 41 H GLU 41 -2.760 9.468 -0.461 336 HA GLU 41 HA GLU 41 -1.939 12.173 -0.880 337 HB2 GLU 41 HB2 GLU 41 -2.870 10.061 -2.819 338 HB3 GLU 41 HB1 GLU 41 -2.192 11.618 -3.281 339 HG2 GLU 41 HG2 GLU 41 -0.786 9.470 -1.708 340 HG3 GLU 41 HG1 GLU 41 -0.496 9.877 -3.398 341 H GLY 42 H GLY 42 -4.889 10.601 -0.486 342 HA2 GLY 42 HA2 GLY 42 -6.529 12.592 -1.781 343 HA3 GLY 42 HA1 GLY 42 -7.070 11.247 -0.789 344 H ARG 43 H ARG 43 -4.934 12.309 1.165 345 HA ARG 43 HA ARG 43 -6.815 13.844 2.710 346 HB2 ARG 43 HB2 ARG 43 -5.265 12.030 3.590 347 HB3 ARG 43 HB1 ARG 43 -3.953 13.174 3.389 348 HG2 ARG 43 HG2 ARG 43 -4.667 13.108 5.697 349 HG3 ARG 43 HG1 ARG 43 -5.038 14.682 4.997 350 HD2 ARG 43 HD2 ARG 43 -7.068 12.462 5.133 351 HD3 ARG 43 HD1 ARG 43 -6.828 13.602 6.450 352 HE ARG 43 HE ARG 43 -7.333 15.356 4.724 353 HH11 ARG 43 HH11 ARG 43 -8.747 12.107 4.403 354 HH12 ARG 43 HH12 ARG 43 -10.174 12.664 3.663 355 HH21 ARG 43 HH21 ARG 43 -9.301 16.088 3.699 356 HH22 ARG 43 HH22 ARG 43 -10.498 14.966 3.254 357 H ARG 44 H ARG 44 -4.597 14.554 0.364 358 HA ARG 44 HA ARG 44 -4.405 17.361 1.159 359 HB2 ARG 44 HB2 ARG 44 -2.207 15.710 -0.099 360 HB3 ARG 44 HB1 ARG 44 -2.148 17.428 0.225 361 HG2 ARG 44 HG2 ARG 44 -2.272 16.904 2.655 362 HG3 ARG 44 HG1 ARG 44 -2.160 15.188 2.237 363 HD2 ARG 44 HD2 ARG 44 0.045 16.060 2.785 364 HD3 ARG 44 HD1 ARG 44 -0.044 15.627 1.075 365 HE ARG 44 HE ARG 44 -0.417 18.378 2.014 366 HH11 ARG 44 HH11 ARG 44 1.239 16.105 -0.185 367 HH12 ARG 44 HH12 ARG 44 2.004 17.343 -1.064 368 HH21 ARG 44 HH21 ARG 44 0.646 20.042 0.770 369 HH22 ARG 44 HH22 ARG 44 1.686 19.596 -0.503 370 H GLU 45 H GLU 45 -3.695 18.566 -0.948 371 HA GLU 45 HA GLU 45 -5.038 17.307 -3.182 372 HB2 GLU 45 HB2 GLU 45 -4.196 20.167 -2.724 373 HB3 GLU 45 HB1 GLU 45 -4.627 19.576 -4.318 374 HG2 GLU 45 HG2 GLU 45 -6.519 20.675 -3.429 375 HG3 GLU 45 HG1 GLU 45 -6.858 18.954 -3.393 376 H VAL 46 H VAL 46 -3.787 16.098 -4.337 377 HA VAL 46 HA VAL 46 -0.980 16.786 -4.442 378 HB VAL 46 HB VAL 46 -0.618 14.444 -5.354 379 HG11 VAL 46 HG11 VAL 46 -1.900 14.752 -2.637 380 HG12 VAL 46 HG12 VAL 46 -0.214 15.086 -3.027 381 HG13 VAL 46 3HG1 VAL 46 -0.830 13.438 -3.126 382 HG21 VAL 46 HG21 VAL 46 -2.386 12.800 -4.995 383 HG22 VAL 46 HG22 VAL 46 -2.973 14.058 -6.089 384 HG23 VAL 46 HG23 VAL 46 -3.462 14.060 -4.397 385 H ASP 47 H ASP 47 -1.036 18.406 -5.860 386 HA ASP 47 HA ASP 47 -1.534 17.614 -8.642 387 HB2 ASP 47 HB2 ASP 47 -3.053 19.435 -7.866 388 HB3 ASP 47 HB1 ASP 47 -1.646 20.415 -7.475 Start of MODEL 13 1 H2 PRO 1 HT1 PRO 1 11.155 14.781 1.251 2 H3 PRO 1 HT2 PRO 1 10.556 14.441 2.712 3 HA PRO 1 HA PRO 1 8.607 14.245 1.983 4 HB2 PRO 1 HB2 PRO 1 8.630 16.409 -0.018 5 HB3 PRO 1 HB1 PRO 1 7.452 16.071 1.261 6 HG2 PRO 1 HG2 PRO 1 9.249 18.092 1.436 7 HG3 PRO 1 HG1 PRO 1 8.619 17.226 2.844 8 HD2 PRO 1 HD2 PRO 1 11.292 17.044 1.556 9 HD3 PRO 1 HD1 PRO 1 10.832 16.770 3.244 10 H ARG 2 H ARG 2 7.738 13.128 0.143 11 HA ARG 2 HA ARG 2 9.551 12.962 -2.136 12 HB2 ARG 2 HB2 ARG 2 8.347 10.608 -0.704 13 HB3 ARG 2 HB1 ARG 2 9.016 10.505 -2.322 14 HG2 ARG 2 HG2 ARG 2 11.178 11.372 -1.314 15 HG3 ARG 2 HG1 ARG 2 10.431 11.058 0.256 16 HD2 ARG 2 HD2 ARG 2 11.799 9.177 -0.451 17 HD3 ARG 2 HD1 ARG 2 10.098 8.722 -0.360 18 HE ARG 2 HE ARG 2 10.521 9.522 -2.960 19 HH11 ARG 2 HH11 ARG 2 11.753 6.944 -0.883 20 HH12 ARG 2 HH12 ARG 2 12.172 5.928 -2.176 21 HH21 ARG 2 HH21 ARG 2 11.096 8.137 -4.716 22 HH22 ARG 2 HH22 ARG 2 11.813 6.624 -4.411 23 H GLY 3 H GLY 3 8.655 12.668 -4.072 24 HA2 GLY 3 HA2 GLY 3 5.908 13.421 -4.295 25 HA3 GLY 3 HA1 GLY 3 7.024 13.135 -5.622 26 H SER 4 H SER 4 7.751 10.452 -4.641 27 HA SER 4 HA SER 4 5.284 9.136 -5.443 28 HB2 SER 4 HB2 SER 4 7.273 8.765 -6.906 29 HB3 SER 4 HB1 SER 4 8.097 8.041 -5.520 30 HG SER 4 HG SER 4 6.249 6.990 -7.194 31 HA PRO 5 HA PRO 5 5.470 7.577 -1.223 32 HB2 PRO 5 HB2 PRO 5 2.869 7.382 -0.846 33 HB3 PRO 5 HB1 PRO 5 3.669 8.964 -0.792 34 HG2 PRO 5 HG2 PRO 5 1.985 7.753 -2.928 35 HG3 PRO 5 HG1 PRO 5 2.108 9.441 -2.428 36 HD2 PRO 5 HD2 PRO 5 3.398 8.300 -4.625 37 HD3 PRO 5 HD1 PRO 5 3.809 9.852 -3.869 38 H ARG 6 H ARG 6 4.713 6.435 -4.089 39 HA ARG 6 HA ARG 6 3.400 3.988 -3.813 40 HB2 ARG 6 HB2 ARG 6 3.894 4.822 -6.030 41 HB3 ARG 6 HB1 ARG 6 5.624 4.692 -5.741 42 HG2 ARG 6 HG2 ARG 6 5.386 2.248 -5.558 43 HG3 ARG 6 HG1 ARG 6 3.673 2.408 -5.914 44 HD2 ARG 6 HD2 ARG 6 4.126 3.203 -8.106 45 HD3 ARG 6 HD1 ARG 6 5.856 3.343 -7.768 46 HE ARG 6 HE ARG 6 5.490 0.791 -7.276 47 HH11 ARG 6 HH11 ARG 6 4.339 2.672 -10.080 48 HH12 ARG 6 HH12 ARG 6 4.332 1.316 -11.121 49 HH21 ARG 6 HH21 ARG 6 5.494 -1.020 -8.764 50 HH22 ARG 6 HH22 ARG 6 5.018 -0.776 -10.385 51 H THR 7 H THR 7 6.731 4.811 -3.104 52 HA THR 7 HA THR 7 7.772 2.245 -2.824 53 HB THR 7 HB THR 7 9.468 3.496 -1.380 54 HG1 THR 7 HG1 THR 7 9.013 5.474 -0.847 55 HG21 THR 7 HG21 THR 7 8.783 4.612 -4.108 56 HG22 THR 7 HG22 THR 7 9.799 3.201 -3.794 57 HG23 THR 7 HG23 THR 7 10.330 4.805 -3.288 58 H GLU 8 H GLU 8 6.226 4.425 -0.548 59 HA GLU 8 HA GLU 8 6.439 2.815 1.782 60 HB2 GLU 8 HB2 GLU 8 4.430 4.934 1.055 61 HB3 GLU 8 HB1 GLU 8 4.693 4.298 2.671 62 HG2 GLU 8 HG2 GLU 8 6.718 5.809 1.032 63 HG3 GLU 8 HG1 GLU 8 5.767 6.481 2.357 64 H TYR 9 H TYR 9 4.076 3.228 -0.743 65 HA TYR 9 HA TYR 9 2.023 1.677 0.324 66 HB2 TYR 9 HB2 TYR 9 1.285 3.069 -1.317 67 HB3 TYR 9 HB1 TYR 9 2.739 2.883 -2.285 68 HD1 TYR 9 HD1 TYR 9 -0.524 1.431 -1.463 69 HD2 TYR 9 HD2 TYR 9 2.891 1.285 -3.886 70 HE1 TYR 9 HE1 TYR 9 -1.692 -0.154 -2.966 71 HE2 TYR 9 HE2 TYR 9 1.791 -0.295 -5.429 72 HH TYR 9 HH TYR 9 -1.502 -0.839 -5.374 73 H GLU 10 H GLU 10 4.647 0.857 -1.951 74 HA GLU 10 HA GLU 10 3.761 -1.828 -2.106 75 HB2 GLU 10 HB2 GLU 10 6.355 -0.593 -3.025 76 HB3 GLU 10 HB1 GLU 10 5.915 -2.279 -3.295 77 HG2 GLU 10 HG2 GLU 10 3.884 -1.468 -4.495 78 HG3 GLU 10 HG1 GLU 10 4.534 0.163 -4.348 79 H ALA 11 H ALA 11 5.901 -0.138 0.005 80 HA ALA 11 HA ALA 11 7.211 -2.324 1.157 81 HB1 ALA 11 HB1 ALA 11 7.499 -0.890 3.136 82 HB2 ALA 11 HB2 ALA 11 6.273 0.212 2.514 83 HB3 ALA 11 HB3 ALA 11 7.798 0.018 1.655 84 H CYS 12 H CYS 12 4.055 -0.901 1.786 85 HA CYS 12 HA CYS 12 3.203 -2.517 3.920 86 HB2 CYS 12 HB2 CYS 12 1.998 -0.475 3.150 87 HB3 CYS 12 HB1 CYS 12 1.558 -1.307 1.670 88 H ARG 13 H ARG 13 3.031 -2.932 0.435 89 HA ARG 13 HA ARG 13 1.559 -5.353 0.504 90 HB2 ARG 13 HB2 ARG 13 3.183 -4.096 -1.696 91 HB3 ARG 13 HB1 ARG 13 2.198 -5.533 -1.909 92 HG2 ARG 13 HG2 ARG 13 0.206 -4.226 -1.236 93 HG3 ARG 13 HG1 ARG 13 1.224 -2.789 -1.128 94 HD2 ARG 13 HD2 ARG 13 0.020 -2.886 -3.257 95 HD3 ARG 13 HD1 ARG 13 1.764 -2.976 -3.492 96 HE ARG 13 HE ARG 13 0.900 -5.557 -3.315 97 HH11 ARG 13 HH11 ARG 13 -0.004 -2.842 -5.439 98 HH12 ARG 13 HH12 ARG 13 -0.145 -3.776 -6.827 99 HH21 ARG 13 HH21 ARG 13 0.708 -6.864 -5.236 100 HH22 ARG 13 HH22 ARG 13 0.294 -6.169 -6.725 101 H VAL 14 H VAL 14 5.027 -4.656 0.216 102 HA VAL 14 HA VAL 14 5.822 -7.339 -0.116 103 HB VAL 14 HB VAL 14 7.415 -5.059 1.133 104 HG11 VAL 14 HG11 VAL 14 8.374 -7.702 0.018 105 HG12 VAL 14 HG12 VAL 14 8.356 -7.249 1.721 106 HG13 VAL 14 3HG1 VAL 14 9.407 -6.391 0.593 107 HG21 VAL 14 HG21 VAL 14 7.391 -6.128 -1.690 108 HG22 VAL 14 HG22 VAL 14 8.467 -4.875 -1.074 109 HG23 VAL 14 HG23 VAL 14 6.729 -4.581 -1.157 110 H ARG 15 H ARG 15 5.222 -5.401 2.767 111 HA ARG 15 HA ARG 15 5.990 -7.303 4.675 112 HB2 ARG 15 HB2 ARG 15 3.842 -5.186 4.799 113 HB3 ARG 15 HB1 ARG 15 4.253 -6.207 6.166 114 HG2 ARG 15 HG2 ARG 15 6.105 -4.293 4.767 115 HG3 ARG 15 HG1 ARG 15 5.324 -4.028 6.326 116 HD2 ARG 15 HD2 ARG 15 7.378 -6.137 5.649 117 HD3 ARG 15 HD1 ARG 15 7.588 -4.741 6.700 118 HE ARG 15 HE ARG 15 5.578 -5.991 7.898 119 HH11 ARG 15 HH11 ARG 15 8.718 -7.206 6.772 120 HH12 ARG 15 HH12 ARG 15 8.789 -8.483 7.899 121 HH21 ARG 15 HH21 ARG 15 5.694 -7.784 9.458 122 HH22 ARG 15 HH22 ARG 15 7.046 -8.801 9.448 123 H CYS 16 H CYS 16 2.917 -6.853 3.024 124 HA CYS 16 HA CYS 16 1.606 -8.949 4.338 125 HB2 CYS 16 HB2 CYS 16 1.090 -7.688 1.662 126 HB3 CYS 16 HB1 CYS 16 0.010 -8.846 2.436 127 H GLN 17 H GLN 17 3.668 -8.940 1.511 128 HA GLN 17 HA GLN 17 2.975 -11.543 0.682 129 HB2 GLN 17 HB2 GLN 17 5.441 -9.907 0.140 130 HB3 GLN 17 HB1 GLN 17 5.122 -11.469 -0.604 131 HG2 GLN 17 HG2 GLN 17 3.068 -10.576 -1.584 132 HG3 GLN 17 HG1 GLN 17 3.416 -9.006 -0.858 133 HE21 GLN 17 1HE2 GLN 17 5.060 -7.759 -1.711 134 HE22 GLN 17 2HE2 GLN 17 5.777 -8.113 -3.242 135 H VAL 18 H VAL 18 5.340 -10.353 2.969 136 HA VAL 18 HA VAL 18 6.305 -13.062 3.307 137 HB VAL 18 HB VAL 18 8.021 -11.324 3.240 138 HG11 VAL 18 HG11 VAL 18 8.329 -9.704 5.049 139 HG12 VAL 18 HG12 VAL 18 6.790 -10.209 5.746 140 HG13 VAL 18 3HG1 VAL 18 6.829 -9.444 4.157 141 HG21 VAL 18 HG21 VAL 18 7.835 -12.602 5.967 142 HG22 VAL 18 HG22 VAL 18 9.303 -11.935 5.246 143 HG23 VAL 18 HG23 VAL 18 8.516 -13.334 4.514 144 H ALA 19 H ALA 19 4.523 -10.673 5.232 145 HA ALA 19 HA ALA 19 4.461 -12.359 7.549 146 HB1 ALA 19 HB1 ALA 19 4.462 -9.910 7.719 147 HB2 ALA 19 HB2 ALA 19 3.082 -10.635 8.539 148 HB3 ALA 19 HB3 ALA 19 2.871 -9.873 6.962 149 H GLU 20 H GLU 20 1.964 -11.259 5.275 150 HA GLU 20 HA GLU 20 -0.030 -12.968 6.400 151 HB2 GLU 20 HB2 GLU 20 0.036 -11.598 3.698 152 HB3 GLU 20 HB1 GLU 20 -1.379 -12.322 4.439 153 HG2 GLU 20 HG2 GLU 20 0.141 -9.999 5.591 154 HG3 GLU 20 HG1 GLU 20 -1.291 -9.842 4.583 155 H HIS 21 H HIS 21 1.699 -12.911 3.355 156 HA HIS 21 HA HIS 21 2.285 -14.411 1.839 157 HB2 HIS 21 HB2 HIS 21 3.781 -15.130 3.669 158 HB3 HIS 21 HB1 HIS 21 2.575 -16.295 4.191 159 HD1 HIS 21 HD1 HIS 21 2.475 -18.525 2.896 160 HD2 HIS 21 HD2 HIS 21 5.102 -15.758 1.272 161 HE1 HIS 21 HE1 HIS 21 3.825 -19.776 1.172 162 H GLY 22 H GLY 22 0.392 -14.467 0.723 163 HA2 GLY 22 HA2 GLY 22 -0.707 -16.940 0.216 164 HA3 GLY 22 HA1 GLY 22 -1.790 -16.105 1.330 165 H VAL 23 H VAL 23 -2.068 -16.836 -1.545 166 HA VAL 23 HA VAL 23 -1.712 -14.663 -3.263 167 HB VAL 23 HB VAL 23 -3.869 -16.780 -3.451 168 HG11 VAL 23 HG11 VAL 23 -4.285 -14.913 -4.952 169 HG12 VAL 23 HG12 VAL 23 -3.813 -16.352 -5.854 170 HG13 VAL 23 3HG1 VAL 23 -2.650 -15.051 -5.598 171 HG21 VAL 23 HG21 VAL 23 -2.284 -17.975 -4.899 172 HG22 VAL 23 HG22 VAL 23 -1.692 -17.805 -3.247 173 HG23 VAL 23 HG23 VAL 23 -1.054 -16.767 -4.524 174 H GLU 24 H GLU 24 -4.567 -15.575 -1.382 175 HA GLU 24 HA GLU 24 -6.207 -13.509 -2.320 176 HB2 GLU 24 HB2 GLU 24 -7.129 -15.510 -1.221 177 HB3 GLU 24 HB1 GLU 24 -6.364 -15.043 0.286 178 HG2 GLU 24 HG2 GLU 24 -7.737 -13.098 0.453 179 HG3 GLU 24 HG1 GLU 24 -8.438 -13.420 -1.132 180 H ARG 25 H ARG 25 -4.156 -13.774 0.548 181 HA ARG 25 HA ARG 25 -4.853 -11.163 1.326 182 HB2 ARG 25 HB2 ARG 25 -2.677 -12.947 2.382 183 HB3 ARG 25 HB1 ARG 25 -2.978 -11.330 3.020 184 HG2 ARG 25 HG2 ARG 25 -5.349 -12.023 3.421 185 HG3 ARG 25 HG1 ARG 25 -4.874 -13.661 2.993 186 HD2 ARG 25 HD2 ARG 25 -3.312 -13.708 4.853 187 HD3 ARG 25 HD1 ARG 25 -3.714 -12.035 5.253 188 HE ARG 25 HE ARG 25 -5.659 -14.224 5.296 189 HH11 ARG 25 HH11 ARG 25 -4.238 -11.345 6.870 190 HH12 ARG 25 HH12 ARG 25 -5.371 -11.307 8.139 191 HH21 ARG 25 HH21 ARG 25 -7.209 -14.147 7.070 192 HH22 ARG 25 HH22 ARG 25 -7.114 -12.945 8.253 193 H GLN 26 H GLN 26 -2.506 -12.300 -0.848 194 HA GLN 26 HA GLN 26 -0.958 -9.928 -1.043 195 HB2 GLN 26 HB2 GLN 26 -1.677 -11.994 -3.134 196 HB3 GLN 26 HB1 GLN 26 -0.564 -10.675 -3.436 197 HG2 GLN 26 HG2 GLN 26 0.961 -11.556 -1.774 198 HG3 GLN 26 HG1 GLN 26 -0.193 -12.826 -1.367 199 HE21 GLN 26 1HE2 GLN 26 2.534 -13.024 -2.367 200 HE22 GLN 26 2HE2 GLN 26 2.453 -13.952 -3.806 201 H ARG 27 H ARG 27 -3.938 -11.040 -2.572 202 HA ARG 27 HA ARG 27 -4.342 -8.720 -4.162 203 HB2 ARG 27 HB2 ARG 27 -5.380 -10.928 -4.645 204 HB3 ARG 27 HB1 ARG 27 -6.375 -10.755 -3.210 205 HG2 ARG 27 HG2 ARG 27 -7.450 -8.783 -4.196 206 HG3 ARG 27 HG1 ARG 27 -6.454 -8.967 -5.637 207 HD2 ARG 27 HD2 ARG 27 -8.682 -9.913 -5.987 208 HD3 ARG 27 HD1 ARG 27 -7.447 -11.165 -6.060 209 HE ARG 27 HE ARG 27 -8.573 -10.867 -3.453 210 HH11 ARG 27 HH11 ARG 27 -9.152 -12.383 -6.607 211 HH12 ARG 27 HH12 ARG 27 -10.103 -13.648 -5.984 212 HH21 ARG 27 HH21 ARG 27 -9.888 -12.571 -2.606 213 HH22 ARG 27 HH22 ARG 27 -10.531 -13.765 -3.645 214 H ARG 28 H ARG 28 -5.419 -9.761 -0.994 215 HA ARG 28 HA ARG 28 -7.102 -7.704 -0.219 216 HB2 ARG 28 HB2 ARG 28 -5.038 -9.210 1.380 217 HB3 ARG 28 HB1 ARG 28 -6.146 -8.067 2.100 218 HG2 ARG 28 HG2 ARG 28 -7.112 -10.430 0.524 219 HG3 ARG 28 HG1 ARG 28 -6.789 -10.500 2.260 220 HD2 ARG 28 HD2 ARG 28 -8.684 -8.580 0.914 221 HD3 ARG 28 HD1 ARG 28 -9.150 -10.046 1.781 222 HE ARG 28 HE ARG 28 -7.689 -8.774 3.603 223 HH11 ARG 28 HH11 ARG 28 -10.301 -7.503 1.572 224 HH12 ARG 28 HH12 ARG 28 -10.881 -6.458 2.784 225 HH21 ARG 28 HH21 ARG 28 -8.474 -7.317 5.208 226 HH22 ARG 28 HH22 ARG 28 -9.842 -6.355 4.901 227 H CYS 29 H CYS 29 -3.585 -7.839 0.410 228 HA CYS 29 HA CYS 29 -3.532 -5.158 1.202 229 HB2 CYS 29 HB2 CYS 29 -1.374 -7.137 0.570 230 HB3 CYS 29 HB1 CYS 29 -1.024 -5.482 1.088 231 H GLN 30 H GLN 30 -3.311 -6.582 -1.919 232 HA GLN 30 HA GLN 30 -2.063 -4.521 -3.360 233 HB2 GLN 30 HB2 GLN 30 -2.606 -6.718 -4.302 234 HB3 GLN 30 HB1 GLN 30 -4.316 -6.390 -4.112 235 HG2 GLN 30 HG2 GLN 30 -4.054 -4.520 -5.739 236 HG3 GLN 30 HG1 GLN 30 -2.400 -5.075 -6.015 237 HE21 GLN 30 1HE2 GLN 30 -5.753 -5.810 -6.397 238 HE22 GLN 30 2HE2 GLN 30 -5.574 -7.081 -7.545 239 H GLN 31 H GLN 31 -5.378 -5.054 -2.321 240 HA GLN 31 HA GLN 31 -6.333 -2.566 -3.455 241 HB2 GLN 31 HB2 GLN 31 -7.782 -4.497 -1.637 242 HB3 GLN 31 HB1 GLN 31 -8.503 -3.244 -2.633 243 HG2 GLN 31 HG2 GLN 31 -7.115 -5.733 -3.620 244 HG3 GLN 31 HG1 GLN 31 -8.849 -5.439 -3.595 245 HE21 GLN 31 1HE2 GLN 31 -9.725 -4.047 -5.093 246 HE22 GLN 31 2HE2 GLN 31 -8.893 -3.544 -6.510 247 H VAL 32 H VAL 32 -6.016 -4.009 -0.219 248 HA VAL 32 HA VAL 32 -6.982 -1.821 1.223 249 HB VAL 32 HB VAL 32 -5.184 -4.076 2.174 250 HG11 VAL 32 HG11 VAL 32 -4.963 -2.159 3.688 251 HG12 VAL 32 HG12 VAL 32 -5.860 -3.471 4.456 252 HG13 VAL 32 3HG1 VAL 32 -6.719 -2.064 3.828 253 HG21 VAL 32 HG21 VAL 32 -8.158 -3.626 2.431 254 HG22 VAL 32 HG22 VAL 32 -7.262 -4.975 3.128 255 HG23 VAL 32 HG23 VAL 32 -7.370 -4.799 1.376 256 H CYS 33 H CYS 33 -3.551 -2.644 0.493 257 HA CYS 33 HA CYS 33 -2.631 -0.432 2.011 258 HB2 CYS 33 HB2 CYS 33 -1.168 -1.960 -0.162 259 HB3 CYS 33 HB1 CYS 33 -0.423 -0.799 0.928 260 H GLU 34 H GLU 34 -3.879 -0.740 -1.188 261 HA GLU 34 HA GLU 34 -2.872 1.727 -2.191 262 HB2 GLU 34 HB2 GLU 34 -3.715 -0.015 -3.710 263 HB3 GLU 34 HB1 GLU 34 -5.305 0.105 -2.980 264 HG2 GLU 34 HG2 GLU 34 -5.556 2.358 -3.819 265 HG3 GLU 34 HG1 GLU 34 -3.930 2.313 -4.492 266 H LYS 35 H LYS 35 -5.855 0.678 -0.640 267 HA LYS 35 HA LYS 35 -7.152 3.164 -0.590 268 HB2 LYS 35 HB2 LYS 35 -7.384 0.932 1.449 269 HB3 LYS 35 HB1 LYS 35 -8.520 2.255 1.242 270 HG2 LYS 35 HG2 LYS 35 -8.962 1.402 -1.044 271 HG3 LYS 35 HG1 LYS 35 -7.939 0.017 -0.656 272 HD2 LYS 35 HD2 LYS 35 -9.392 -0.482 1.272 273 HD3 LYS 35 HD1 LYS 35 -10.446 0.850 0.791 274 HE2 LYS 35 HE2 LYS 35 -10.739 -0.248 -1.394 275 HE3 LYS 35 HE1 LYS 35 -9.799 -1.611 -0.784 276 HZ1 LYS 35 HZ1 LYS 35 -12.101 -2.123 -0.543 277 HZ2 LYS 35 HZ2 LYS 35 -12.432 -0.662 0.183 278 HZ3 LYS 35 HZ3 LYS 35 -11.535 -1.820 1.019 279 H ARG 36 H ARG 36 -5.023 1.607 1.735 280 HA ARG 36 HA ARG 36 -4.980 3.584 3.706 281 HB2 ARG 36 HB2 ARG 36 -2.799 1.667 2.898 282 HB3 ARG 36 HB1 ARG 36 -2.781 2.613 4.374 283 HG2 ARG 36 HG2 ARG 36 -4.892 1.473 5.053 284 HG3 ARG 36 HG1 ARG 36 -4.739 0.448 3.624 285 HD2 ARG 36 HD2 ARG 36 -3.853 -0.705 5.545 286 HD3 ARG 36 HD1 ARG 36 -2.534 -0.289 4.444 287 HE ARG 36 HE ARG 36 -3.046 1.644 6.492 288 HH11 ARG 36 HH11 ARG 36 -1.218 -1.327 5.778 289 HH12 ARG 36 HH12 ARG 36 0.014 -0.959 6.889 290 HH21 ARG 36 HH21 ARG 36 -1.347 2.075 8.045 291 HH22 ARG 36 HH22 ARG 36 -0.061 0.977 8.197 292 H LEU 37 H LEU 37 -3.010 3.170 0.844 293 HA LEU 37 HA LEU 37 -1.214 5.278 1.231 294 HB2 LEU 37 HB2 LEU 37 -0.971 3.398 -0.389 295 HB3 LEU 37 HB1 LEU 37 -2.259 4.072 -1.348 296 HG LEU 37 HG LEU 37 0.056 4.383 -2.265 297 HD11 LEU 37 HD11 LEU 37 -1.457 6.910 -1.724 298 HD12 LEU 37 HD12 LEU 37 -1.711 5.782 -3.059 299 HD13 LEU 37 HD13 LEU 37 -0.203 6.692 -2.947 300 HD21 LEU 37 HD21 LEU 37 1.488 6.059 -1.325 301 HD22 LEU 37 HD22 LEU 37 1.190 4.796 -0.123 302 HD23 LEU 37 HD23 LEU 37 0.355 6.348 -0.009 303 H ARG 38 H ARG 38 -4.330 5.098 -0.407 304 HA ARG 38 HA ARG 38 -4.270 7.835 -1.175 305 HB2 ARG 38 HB2 ARG 38 -6.563 5.880 -1.193 306 HB3 ARG 38 HB1 ARG 38 -6.605 7.491 -1.897 307 HG2 ARG 38 HG2 ARG 38 -4.830 5.209 -2.767 308 HG3 ARG 38 HG1 ARG 38 -6.256 5.802 -3.612 309 HD2 ARG 38 HD2 ARG 38 -3.693 7.345 -3.127 310 HD3 ARG 38 HD1 ARG 38 -4.200 6.630 -4.648 311 HE ARG 38 HE ARG 38 -6.241 8.305 -3.914 312 HH11 ARG 38 HH11 ARG 38 -2.819 8.669 -4.774 313 HH12 ARG 38 HH12 ARG 38 -2.954 10.301 -5.230 314 HH21 ARG 38 HH21 ARG 38 -6.441 10.562 -4.598 315 HH22 ARG 38 HH22 ARG 38 -5.066 11.386 -5.150 316 H GLU 39 H GLU 39 -5.350 6.203 1.704 317 HA GLU 39 HA GLU 39 -7.037 8.223 2.760 318 HB2 GLU 39 HB2 GLU 39 -5.051 6.491 4.249 319 HB3 GLU 39 HB1 GLU 39 -6.289 7.456 5.020 320 HG2 GLU 39 HG2 GLU 39 -7.999 6.050 3.998 321 HG3 GLU 39 HG1 GLU 39 -6.740 5.089 3.220 322 H ARG 40 H ARG 40 -3.617 7.689 2.918 323 HA ARG 40 HA ARG 40 -2.772 9.914 4.371 324 HB2 ARG 40 HB2 ARG 40 -1.433 8.594 2.031 325 HB3 ARG 40 HB1 ARG 40 -0.659 9.676 3.166 326 HG2 ARG 40 HG2 ARG 40 -0.889 8.055 4.929 327 HG3 ARG 40 HG1 ARG 40 -1.847 7.008 3.873 328 HD2 ARG 40 HD2 ARG 40 0.521 6.287 4.042 329 HD3 ARG 40 HD1 ARG 40 0.032 6.677 2.396 330 HE ARG 40 HE ARG 40 1.834 8.183 4.121 331 HH11 ARG 40 HH11 ARG 40 0.203 7.945 0.986 332 HH12 ARG 40 HH12 ARG 40 1.130 9.098 0.189 333 HH21 ARG 40 HH21 ARG 40 3.253 9.740 3.007 334 HH22 ARG 40 HH22 ARG 40 3.019 10.080 1.366 335 H GLU 41 H GLU 41 -3.107 9.469 0.871 336 HA GLU 41 HA GLU 41 -2.270 11.982 0.025 337 HB2 GLU 41 HB2 GLU 41 -4.336 10.238 -1.320 338 HB3 GLU 41 HB1 GLU 41 -3.362 11.482 -2.084 339 HG2 GLU 41 HG2 GLU 41 -2.332 8.909 -0.898 340 HG3 GLU 41 HG1 GLU 41 -2.556 9.245 -2.612 341 H GLY 42 H GLY 42 -5.531 10.828 0.873 342 HA2 GLY 42 HA2 GLY 42 -6.756 13.324 0.157 343 HA3 GLY 42 HA1 GLY 42 -7.532 11.960 0.942 344 H ARG 43 H ARG 43 -5.105 12.244 2.871 345 HA ARG 43 HA ARG 43 -6.521 13.990 4.740 346 HB2 ARG 43 HB2 ARG 43 -5.845 11.691 5.382 347 HB3 ARG 43 HB1 ARG 43 -4.168 12.136 5.137 348 HG2 ARG 43 HG2 ARG 43 -4.383 13.786 6.970 349 HG3 ARG 43 HG1 ARG 43 -6.034 13.215 7.242 350 HD2 ARG 43 HD2 ARG 43 -4.511 12.117 8.779 351 HD3 ARG 43 HD1 ARG 43 -5.167 10.947 7.630 352 HE ARG 43 HE ARG 43 -2.536 12.190 7.246 353 HH11 ARG 43 HH11 ARG 43 -4.472 9.227 7.512 354 HH12 ARG 43 HH12 ARG 43 -3.213 8.190 7.051 355 HH21 ARG 43 HH21 ARG 43 -0.804 10.782 6.603 356 HH22 ARG 43 HH22 ARG 43 -1.041 9.107 6.573 357 H ARG 44 H ARG 44 -3.755 13.954 2.704 358 HA ARG 44 HA ARG 44 -2.400 16.026 4.240 359 HB2 ARG 44 HB2 ARG 44 -1.523 14.559 1.757 360 HB3 ARG 44 HB1 ARG 44 -0.581 15.782 2.588 361 HG2 ARG 44 HG2 ARG 44 -0.565 14.331 4.589 362 HG3 ARG 44 HG1 ARG 44 -1.397 13.092 3.649 363 HD2 ARG 44 HD2 ARG 44 1.291 14.290 2.997 364 HD3 ARG 44 HD1 ARG 44 1.023 12.711 3.721 365 HE ARG 44 HE ARG 44 -0.226 12.202 1.586 366 HH11 ARG 44 HH11 ARG 44 2.423 14.593 1.627 367 HH12 ARG 44 HH12 ARG 44 2.943 14.206 0.062 368 HH21 ARG 44 HH21 ARG 44 0.573 11.682 -0.596 369 HH22 ARG 44 HH22 ARG 44 1.883 12.574 -1.226 370 H GLU 45 H GLU 45 -2.891 18.064 3.849 371 HA GLU 45 HA GLU 45 -3.795 18.860 1.188 372 HB2 GLU 45 HB2 GLU 45 -3.613 20.410 3.789 373 HB3 GLU 45 HB1 GLU 45 -4.257 21.049 2.289 374 HG2 GLU 45 HG2 GLU 45 -5.403 18.829 3.965 375 HG3 GLU 45 HG1 GLU 45 -6.078 20.437 3.711 376 H VAL 46 H VAL 46 -1.086 18.008 1.819 377 HA VAL 46 HA VAL 46 0.374 20.237 0.731 378 HB VAL 46 HB VAL 46 0.640 20.488 3.194 379 HG11 VAL 46 HG11 VAL 46 1.815 17.722 3.141 380 HG12 VAL 46 HG12 VAL 46 0.297 18.211 3.888 381 HG13 VAL 46 3HG1 VAL 46 1.828 18.818 4.526 382 HG21 VAL 46 HG21 VAL 46 3.096 20.522 3.312 383 HG22 VAL 46 HG22 VAL 46 2.510 21.159 1.771 384 HG23 VAL 46 HG23 VAL 46 3.170 19.528 1.856 385 H ASP 47 H ASP 47 2.259 19.499 -0.347 386 HA ASP 47 HA ASP 47 2.519 16.598 -0.596 387 HB2 ASP 47 HB2 ASP 47 1.544 17.402 -2.667 388 HB3 ASP 47 HB1 ASP 47 2.740 18.690 -2.774 Start of MODEL 14 1 H2 PRO 1 HT1 PRO 1 6.672 6.298 3.289 2 H3 PRO 1 HT2 PRO 1 7.454 5.697 4.554 3 HA PRO 1 HA PRO 1 8.171 7.565 4.907 4 HB2 PRO 1 HB2 PRO 1 10.057 8.170 3.075 5 HB3 PRO 1 HB1 PRO 1 10.305 6.978 4.361 6 HG2 PRO 1 HG2 PRO 1 9.802 6.559 1.484 7 HG3 PRO 1 HG1 PRO 1 10.616 5.505 2.647 8 HD2 PRO 1 HD2 PRO 1 7.965 5.256 1.682 9 HD3 PRO 1 HD1 PRO 1 8.690 4.331 3.002 10 H ARG 2 H ARG 2 8.997 9.730 3.441 11 HA ARG 2 HA ARG 2 6.649 10.369 1.852 12 HB2 ARG 2 HB2 ARG 2 8.689 12.133 3.239 13 HB3 ARG 2 HB1 ARG 2 7.401 12.727 2.201 14 HG2 ARG 2 HG2 ARG 2 5.722 11.903 3.711 15 HG3 ARG 2 HG1 ARG 2 6.953 11.140 4.715 16 HD2 ARG 2 HD2 ARG 2 6.159 13.238 5.686 17 HD3 ARG 2 HD1 ARG 2 7.870 13.319 5.281 18 HE ARG 2 HE ARG 2 6.814 14.397 3.114 19 HH11 ARG 2 HH11 ARG 2 6.007 15.010 6.532 20 HH12 ARG 2 HH12 ARG 2 5.592 16.641 6.270 21 HH21 ARG 2 HH21 ARG 2 6.287 16.691 2.794 22 HH22 ARG 2 HH22 ARG 2 5.764 17.607 4.123 23 H GLY 3 H GLY 3 7.413 12.109 0.057 24 HA2 GLY 3 HA2 GLY 3 8.898 12.554 -1.700 25 HA3 GLY 3 HA1 GLY 3 9.964 11.294 -1.084 26 H SER 4 H SER 4 9.038 9.080 -1.173 27 HA SER 4 HA SER 4 7.403 8.743 -3.569 28 HB2 SER 4 HB2 SER 4 9.601 6.929 -2.541 29 HB3 SER 4 HB1 SER 4 8.598 6.610 -3.957 30 HG SER 4 HG SER 4 10.125 8.955 -3.649 31 HA PRO 5 HA PRO 5 5.025 6.861 -0.220 32 HB2 PRO 5 HB2 PRO 5 2.585 7.564 -1.093 33 HB3 PRO 5 HB1 PRO 5 3.645 8.712 -0.272 34 HG2 PRO 5 HG2 PRO 5 3.040 8.437 -3.174 35 HG3 PRO 5 HG1 PRO 5 3.309 9.897 -2.208 36 HD2 PRO 5 HD2 PRO 5 5.194 8.678 -3.848 37 HD3 PRO 5 HD1 PRO 5 5.559 9.828 -2.548 38 H ARG 6 H ARG 6 4.901 6.425 -3.674 39 HA ARG 6 HA ARG 6 2.961 4.331 -3.682 40 HB2 ARG 6 HB2 ARG 6 5.106 4.821 -5.764 41 HB3 ARG 6 HB1 ARG 6 3.634 3.893 -5.974 42 HG2 ARG 6 HG2 ARG 6 3.776 6.864 -5.487 43 HG3 ARG 6 HG1 ARG 6 3.504 6.089 -7.043 44 HD2 ARG 6 HD2 ARG 6 1.382 5.203 -6.263 45 HD3 ARG 6 HD1 ARG 6 1.684 5.833 -4.638 46 HE ARG 6 HE ARG 6 1.885 7.884 -6.538 47 HH11 ARG 6 HH11 ARG 6 -0.686 5.944 -5.010 48 HH12 ARG 6 HH12 ARG 6 -1.816 7.222 -5.016 49 HH21 ARG 6 HH21 ARG 6 0.304 9.581 -6.587 50 HH22 ARG 6 HH22 ARG 6 -1.257 9.309 -5.956 51 H THR 7 H THR 7 6.443 4.481 -3.315 52 HA THR 7 HA THR 7 6.861 1.705 -3.545 53 HB THR 7 HB THR 7 9.071 2.308 -2.484 54 HG1 THR 7 HG1 THR 7 9.426 4.368 -1.972 55 HG21 THR 7 HG21 THR 7 9.834 3.556 -4.465 56 HG22 THR 7 HG22 THR 7 8.149 3.857 -4.898 57 HG23 THR 7 HG23 THR 7 8.782 2.210 -4.896 58 H GLU 8 H GLU 8 5.995 3.848 -0.958 59 HA GLU 8 HA GLU 8 6.535 2.092 1.229 60 HB2 GLU 8 HB2 GLU 8 6.097 4.570 1.421 61 HB3 GLU 8 HB1 GLU 8 4.416 4.238 1.044 62 HG2 GLU 8 HG2 GLU 8 4.302 2.780 3.036 63 HG3 GLU 8 HG1 GLU 8 5.942 3.281 3.447 64 H TYR 9 H TYR 9 3.733 2.912 -0.676 65 HA TYR 9 HA TYR 9 1.933 1.085 0.404 66 HB2 TYR 9 HB2 TYR 9 0.726 2.535 -0.818 67 HB3 TYR 9 HB1 TYR 9 2.093 2.940 -1.832 68 HD1 TYR 9 HD1 TYR 9 2.071 2.354 -4.029 69 HD2 TYR 9 HD2 TYR 9 -0.546 0.350 -1.377 70 HE1 TYR 9 HE1 TYR 9 1.036 1.252 -5.929 71 HE2 TYR 9 HE2 TYR 9 -1.618 -0.770 -3.264 72 HH TYR 9 HH TYR 9 -1.931 -0.359 -5.797 73 H GLU 10 H GLU 10 4.235 0.793 -2.252 74 HA GLU 10 HA GLU 10 3.532 -1.810 -3.033 75 HB2 GLU 10 HB2 GLU 10 4.998 -0.231 -4.314 76 HB3 GLU 10 HB1 GLU 10 6.274 -0.561 -3.152 77 HG2 GLU 10 HG2 GLU 10 6.202 -2.936 -3.780 78 HG3 GLU 10 HG1 GLU 10 4.963 -2.542 -4.975 79 H ALA 11 H ALA 11 5.870 -0.602 -0.676 80 HA ALA 11 HA ALA 11 6.896 -3.083 0.134 81 HB1 ALA 11 HB1 ALA 11 7.955 -0.927 0.655 82 HB2 ALA 11 HB2 ALA 11 7.711 -1.908 2.098 83 HB3 ALA 11 HB3 ALA 11 6.630 -0.556 1.756 84 H CYS 12 H CYS 12 4.069 -1.294 1.111 85 HA CYS 12 HA CYS 12 3.288 -2.810 3.359 86 HB2 CYS 12 HB2 CYS 12 2.352 -0.574 2.638 87 HB3 CYS 12 HB1 CYS 12 1.514 -1.400 1.340 88 H ARG 13 H ARG 13 2.718 -3.153 -0.085 89 HA ARG 13 HA ARG 13 0.948 -5.354 -0.054 90 HB2 ARG 13 HB2 ARG 13 2.886 -4.369 -2.159 91 HB3 ARG 13 HB1 ARG 13 1.684 -5.624 -2.420 92 HG2 ARG 13 HG2 ARG 13 -0.085 -4.127 -2.093 93 HG3 ARG 13 HG1 ARG 13 0.983 -2.844 -1.529 94 HD2 ARG 13 HD2 ARG 13 0.203 -2.485 -3.859 95 HD3 ARG 13 HD1 ARG 13 1.948 -2.624 -3.758 96 HE ARG 13 HE ARG 13 1.260 -5.117 -4.326 97 HH11 ARG 13 HH11 ARG 13 0.033 -2.101 -5.870 98 HH12 ARG 13 HH12 ARG 13 -0.045 -2.814 -7.390 99 HH21 ARG 13 HH21 ARG 13 1.124 -6.006 -6.457 100 HH22 ARG 13 HH22 ARG 13 0.573 -5.065 -7.758 101 H VAL 14 H VAL 14 4.439 -5.124 -0.594 102 HA VAL 14 HA VAL 14 4.929 -7.887 -0.776 103 HB VAL 14 HB VAL 14 6.881 -5.707 0.055 104 HG11 VAL 14 HG11 VAL 14 7.392 -8.467 -1.052 105 HG12 VAL 14 HG12 VAL 14 7.738 -7.924 0.589 106 HG13 VAL 14 3HG1 VAL 14 8.623 -7.236 -0.775 107 HG21 VAL 14 HG21 VAL 14 6.278 -6.835 -2.681 108 HG22 VAL 14 HG22 VAL 14 7.552 -5.674 -2.308 109 HG23 VAL 14 HG23 VAL 14 5.860 -5.222 -2.107 110 H ARG 15 H ARG 15 4.788 -5.716 1.972 111 HA ARG 15 HA ARG 15 5.891 -7.356 3.940 112 HB2 ARG 15 HB2 ARG 15 5.307 -4.981 4.288 113 HB3 ARG 15 HB1 ARG 15 3.604 -5.401 4.258 114 HG2 ARG 15 HG2 ARG 15 4.316 -5.108 6.545 115 HG3 ARG 15 HG1 ARG 15 3.942 -6.807 6.260 116 HD2 ARG 15 HD2 ARG 15 5.976 -6.594 7.575 117 HD3 ARG 15 HD1 ARG 15 6.348 -7.276 5.994 118 HE ARG 15 HE ARG 15 6.603 -4.444 6.048 119 HH11 ARG 15 HH11 ARG 15 8.337 -7.445 6.798 120 HH12 ARG 15 HH12 ARG 15 9.875 -6.719 6.740 121 HH21 ARG 15 HH21 ARG 15 8.755 -3.464 5.976 122 HH22 ARG 15 HH22 ARG 15 10.110 -4.432 6.265 123 H CYS 16 H CYS 16 2.509 -7.054 2.885 124 HA CYS 16 HA CYS 16 1.568 -9.116 4.563 125 HB2 CYS 16 HB2 CYS 16 0.444 -7.887 2.079 126 HB3 CYS 16 HB1 CYS 16 -0.365 -9.206 2.914 127 H GLN 17 H GLN 17 3.020 -9.159 1.419 128 HA GLN 17 HA GLN 17 2.299 -11.772 0.691 129 HB2 GLN 17 HB2 GLN 17 3.255 -10.060 -0.853 130 HB3 GLN 17 HB1 GLN 17 4.794 -10.198 -0.038 131 HG2 GLN 17 HG2 GLN 17 3.506 -12.544 -1.398 132 HG3 GLN 17 HG1 GLN 17 4.467 -11.381 -2.295 133 HE21 GLN 17 1HE2 GLN 17 6.398 -11.000 -0.136 134 HE22 GLN 17 2HE2 GLN 17 7.325 -12.440 -0.078 135 H VAL 18 H VAL 18 4.749 -10.499 2.815 136 HA VAL 18 HA VAL 18 5.910 -13.132 3.247 137 HB VAL 18 HB VAL 18 6.561 -10.516 4.636 138 HG11 VAL 18 HG11 VAL 18 7.215 -12.466 5.931 139 HG12 VAL 18 HG12 VAL 18 8.634 -11.630 5.304 140 HG13 VAL 18 3HG1 VAL 18 8.082 -13.120 4.541 141 HG21 VAL 18 HG21 VAL 18 8.536 -10.422 3.171 142 HG22 VAL 18 HG22 VAL 18 7.034 -10.351 2.249 143 HG23 VAL 18 HG23 VAL 18 7.957 -11.851 2.316 144 H ALA 19 H ALA 19 4.384 -10.608 5.243 145 HA ALA 19 HA ALA 19 4.324 -12.121 7.598 146 HB1 ALA 19 HB1 ALA 19 2.951 -10.355 8.514 147 HB2 ALA 19 HB2 ALA 19 2.646 -9.733 6.890 148 HB3 ALA 19 HB3 ALA 19 4.275 -9.683 7.561 149 H GLU 20 H GLU 20 1.738 -11.539 5.219 150 HA GLU 20 HA GLU 20 -0.078 -13.170 6.796 151 HB2 GLU 20 HB2 GLU 20 -0.493 -12.014 4.033 152 HB3 GLU 20 HB1 GLU 20 -1.727 -12.706 5.071 153 HG2 GLU 20 HG2 GLU 20 -0.199 -10.158 5.530 154 HG3 GLU 20 HG1 GLU 20 -1.882 -10.299 5.052 155 H HIS 21 H HIS 21 1.750 -13.279 3.844 156 HA HIS 21 HA HIS 21 2.478 -14.865 2.464 157 HB2 HIS 21 HB2 HIS 21 3.386 -15.903 4.525 158 HB3 HIS 21 HB1 HIS 21 1.892 -16.805 4.723 159 HD1 HIS 21 HD1 HIS 21 2.197 -19.191 3.987 160 HD2 HIS 21 HD2 HIS 21 4.499 -16.549 1.756 161 HE1 HIS 21 HE1 HIS 21 3.502 -20.607 2.354 162 H GLY 22 H GLY 22 1.183 -14.880 0.782 163 HA2 GLY 22 HA2 GLY 22 -0.219 -16.880 -0.158 164 HA3 GLY 22 HA1 GLY 22 -1.399 -16.161 0.941 165 H VAL 23 H VAL 23 -1.335 -16.361 -2.009 166 HA VAL 23 HA VAL 23 -0.758 -13.821 -3.126 167 HB VAL 23 HB VAL 23 -2.578 -16.004 -4.200 168 HG11 VAL 23 HG11 VAL 23 -2.239 -14.958 -6.397 169 HG12 VAL 23 HG12 VAL 23 -1.327 -13.657 -5.634 170 HG13 VAL 23 3HG1 VAL 23 -3.041 -13.859 -5.274 171 HG21 VAL 23 HG21 VAL 23 -0.290 -16.773 -3.852 172 HG22 VAL 23 HG22 VAL 23 0.321 -15.409 -4.785 173 HG23 VAL 23 HG23 VAL 23 -0.654 -16.646 -5.572 174 H GLU 24 H GLU 24 -3.731 -15.305 -1.964 175 HA GLU 24 HA GLU 24 -5.440 -13.164 -2.736 176 HB2 GLU 24 HB2 GLU 24 -5.927 -15.154 -0.488 177 HB3 GLU 24 HB1 GLU 24 -7.122 -14.114 -1.220 178 HG2 GLU 24 HG2 GLU 24 -7.459 -16.301 -2.060 179 HG3 GLU 24 HG1 GLU 24 -6.784 -15.332 -3.364 180 H ARG 25 H ARG 25 -3.640 -13.942 0.107 181 HA ARG 25 HA ARG 25 -4.568 -11.851 1.773 182 HB2 ARG 25 HB2 ARG 25 -1.947 -13.358 1.785 183 HB3 ARG 25 HB1 ARG 25 -2.471 -12.264 3.057 184 HG2 ARG 25 HG2 ARG 25 -3.911 -14.789 2.240 185 HG3 ARG 25 HG1 ARG 25 -2.849 -14.613 3.643 186 HD2 ARG 25 HD2 ARG 25 -4.312 -12.930 4.563 187 HD3 ARG 25 HD1 ARG 25 -5.361 -13.024 3.152 188 HE ARG 25 HE ARG 25 -5.224 -15.556 4.234 189 HH11 ARG 25 HH11 ARG 25 -6.292 -12.341 5.195 190 HH12 ARG 25 HH12 ARG 25 -7.547 -12.886 6.214 191 HH21 ARG 25 HH21 ARG 25 -6.954 -16.341 5.667 192 HH22 ARG 25 HH22 ARG 25 -7.921 -15.230 6.498 193 H GLN 26 H GLN 26 -1.780 -12.112 -0.368 194 HA GLN 26 HA GLN 26 -0.724 -9.549 0.045 195 HB2 GLN 26 HB2 GLN 26 0.538 -11.327 -1.007 196 HB3 GLN 26 HB1 GLN 26 -0.608 -11.395 -2.333 197 HG2 GLN 26 HG2 GLN 26 0.060 -9.123 -2.990 198 HG3 GLN 26 HG1 GLN 26 1.258 -9.123 -1.696 199 HE21 GLN 26 1HE2 GLN 26 2.943 -8.903 -3.199 200 HE22 GLN 26 2HE2 GLN 26 3.458 -10.230 -4.163 201 H ARG 27 H ARG 27 -3.004 -10.789 -2.370 202 HA ARG 27 HA ARG 27 -3.354 -8.416 -3.797 203 HB2 ARG 27 HB2 ARG 27 -4.086 -10.557 -4.690 204 HB3 ARG 27 HB1 ARG 27 -5.286 -10.703 -3.414 205 HG2 ARG 27 HG2 ARG 27 -6.449 -8.735 -4.280 206 HG3 ARG 27 HG1 ARG 27 -5.253 -8.601 -5.568 207 HD2 ARG 27 HD2 ARG 27 -5.901 -10.730 -6.454 208 HD3 ARG 27 HD1 ARG 27 -7.015 -11.001 -5.114 209 HE ARG 27 HE ARG 27 -7.705 -8.613 -6.337 210 HH11 ARG 27 HH11 ARG 27 -7.639 -12.040 -7.155 211 HH12 ARG 27 HH12 ARG 27 -8.963 -11.974 -8.220 212 HH21 ARG 27 HH21 ARG 27 -9.536 -8.486 -7.770 213 HH22 ARG 27 HH22 ARG 27 -10.093 -9.894 -8.561 214 H ARG 28 H ARG 28 -5.076 -9.665 -0.967 215 HA ARG 28 HA ARG 28 -7.027 -7.644 -0.829 216 HB2 ARG 28 HB2 ARG 28 -7.053 -9.717 0.551 217 HB3 ARG 28 HB1 ARG 28 -5.738 -9.051 1.514 218 HG2 ARG 28 HG2 ARG 28 -7.212 -7.116 2.066 219 HG3 ARG 28 HG1 ARG 28 -8.526 -7.954 1.242 220 HD2 ARG 28 HD2 ARG 28 -7.002 -8.910 3.650 221 HD3 ARG 28 HD1 ARG 28 -8.666 -8.327 3.623 222 HE ARG 28 HE ARG 28 -8.180 -10.548 1.894 223 HH11 ARG 28 HH11 ARG 28 -9.016 -9.629 5.227 224 HH12 ARG 28 HH12 ARG 28 -9.747 -11.129 5.552 225 HH21 ARG 28 HH21 ARG 28 -9.130 -12.580 2.411 226 HH22 ARG 28 HH22 ARG 28 -9.826 -12.824 3.953 227 H CYS 29 H CYS 29 -3.810 -7.900 0.677 228 HA CYS 29 HA CYS 29 -3.908 -5.368 1.828 229 HB2 CYS 29 HB2 CYS 29 -1.639 -7.190 1.140 230 HB3 CYS 29 HB1 CYS 29 -1.373 -5.603 1.857 231 H GLN 30 H GLN 30 -2.991 -6.408 -1.387 232 HA GLN 30 HA GLN 30 -1.896 -3.992 -2.279 233 HB2 GLN 30 HB2 GLN 30 -1.870 -5.987 -3.694 234 HB3 GLN 30 HB1 GLN 30 -3.626 -5.951 -3.800 235 HG2 GLN 30 HG2 GLN 30 -3.473 -3.756 -4.927 236 HG3 GLN 30 HG1 GLN 30 -1.720 -3.898 -4.897 237 HE21 GLN 30 1HE2 GLN 30 -1.779 -6.792 -5.467 238 HE22 GLN 30 2HE2 GLN 30 -2.196 -6.923 -7.115 239 H GLN 31 H GLN 31 -5.229 -4.997 -1.992 240 HA GLN 31 HA GLN 31 -6.301 -2.603 -3.104 241 HB2 GLN 31 HB2 GLN 31 -7.636 -4.525 -1.196 242 HB3 GLN 31 HB1 GLN 31 -8.436 -3.358 -2.230 243 HG2 GLN 31 HG2 GLN 31 -6.960 -5.840 -3.074 244 HG3 GLN 31 HG1 GLN 31 -8.693 -5.541 -3.162 245 HE21 GLN 31 1HE2 GLN 31 -5.656 -5.064 -4.635 246 HE22 GLN 31 2HE2 GLN 31 -6.219 -4.317 -6.088 247 H VAL 32 H VAL 32 -5.980 -3.820 0.205 248 HA VAL 32 HA VAL 32 -7.009 -1.598 1.539 249 HB VAL 32 HB VAL 32 -4.952 -3.585 2.561 250 HG11 VAL 32 HG11 VAL 32 -5.000 -1.581 3.953 251 HG12 VAL 32 HG12 VAL 32 -5.710 -2.952 4.805 252 HG13 VAL 32 3HG1 VAL 32 -6.752 -1.715 4.103 253 HG21 VAL 32 HG21 VAL 32 -6.877 -4.715 3.576 254 HG22 VAL 32 HG22 VAL 32 -7.012 -4.653 1.818 255 HG23 VAL 32 HG23 VAL 32 -7.957 -3.547 2.814 256 H CYS 33 H CYS 33 -3.586 -2.345 0.819 257 HA CYS 33 HA CYS 33 -2.660 0.035 2.034 258 HB2 CYS 33 HB2 CYS 33 -1.231 -1.705 0.006 259 HB3 CYS 33 HB1 CYS 33 -0.483 -0.499 1.046 260 H GLU 34 H GLU 34 -3.867 -0.697 -1.161 261 HA GLU 34 HA GLU 34 -2.801 1.662 -2.368 262 HB2 GLU 34 HB2 GLU 34 -3.600 -0.448 -3.592 263 HB3 GLU 34 HB1 GLU 34 -5.227 0.110 -3.270 264 HG2 GLU 34 HG2 GLU 34 -4.897 2.066 -4.593 265 HG3 GLU 34 HG1 GLU 34 -3.183 1.696 -4.787 266 H LYS 35 H LYS 35 -5.789 0.685 -0.837 267 HA LYS 35 HA LYS 35 -7.212 3.074 -1.169 268 HB2 LYS 35 HB2 LYS 35 -8.188 0.901 -0.410 269 HB3 LYS 35 HB1 LYS 35 -7.368 1.119 1.128 270 HG2 LYS 35 HG2 LYS 35 -8.695 3.103 1.586 271 HG3 LYS 35 HG1 LYS 35 -9.471 2.971 0.009 272 HD2 LYS 35 HD2 LYS 35 -10.970 2.073 1.650 273 HD3 LYS 35 HD1 LYS 35 -10.335 0.730 0.703 274 HE2 LYS 35 HE2 LYS 35 -10.324 0.061 2.966 275 HE3 LYS 35 HE1 LYS 35 -8.647 0.376 2.538 276 HZ1 LYS 35 HZ1 LYS 35 -10.477 2.041 4.137 277 HZ2 LYS 35 HZ2 LYS 35 -9.052 2.678 3.545 278 HZ3 LYS 35 HZ3 LYS 35 -9.017 1.376 4.629 279 H ARG 36 H ARG 36 -5.113 1.918 1.447 280 HA ARG 36 HA ARG 36 -5.112 4.104 3.156 281 HB2 ARG 36 HB2 ARG 36 -2.832 2.277 2.413 282 HB3 ARG 36 HB1 ARG 36 -2.694 3.501 3.657 283 HG2 ARG 36 HG2 ARG 36 -4.425 2.419 4.948 284 HG3 ARG 36 HG1 ARG 36 -4.649 1.216 3.671 285 HD2 ARG 36 HD2 ARG 36 -3.299 0.370 5.514 286 HD3 ARG 36 HD1 ARG 36 -2.380 0.424 4.012 287 HE ARG 36 HE ARG 36 -1.882 2.795 5.370 288 HH11 ARG 36 HH11 ARG 36 -1.319 -0.671 5.898 289 HH12 ARG 36 HH12 ARG 36 0.071 -0.454 6.836 290 HH21 ARG 36 HH21 ARG 36 0.071 3.084 6.692 291 HH22 ARG 36 HH22 ARG 36 0.866 1.699 7.296 292 H LEU 37 H LEU 37 -3.069 3.557 0.341 293 HA LEU 37 HA LEU 37 -1.619 5.959 0.598 294 HB2 LEU 37 HB2 LEU 37 -1.248 3.672 -0.758 295 HB3 LEU 37 HB1 LEU 37 -1.943 4.618 -2.043 296 HG LEU 37 HG LEU 37 0.527 4.579 -2.089 297 HD11 LEU 37 HD11 LEU 37 -0.617 6.439 -3.083 298 HD12 LEU 37 HD12 LEU 37 0.925 6.919 -2.387 299 HD13 LEU 37 HD13 LEU 37 -0.588 7.314 -1.546 300 HD21 LEU 37 HD21 LEU 37 1.817 5.737 -0.424 301 HD22 LEU 37 HD22 LEU 37 0.878 4.447 0.326 302 HD23 LEU 37 HD23 LEU 37 0.361 6.125 0.485 303 H ARG 38 H ARG 38 -4.457 5.023 -1.266 304 HA ARG 38 HA ARG 38 -4.692 7.465 -2.660 305 HB2 ARG 38 HB2 ARG 38 -5.673 5.305 -3.388 306 HB3 ARG 38 HB1 ARG 38 -6.815 5.405 -2.063 307 HG2 ARG 38 HG2 ARG 38 -7.886 7.301 -3.045 308 HG3 ARG 38 HG1 ARG 38 -6.633 7.429 -4.283 309 HD2 ARG 38 HD2 ARG 38 -8.513 5.096 -3.918 310 HD3 ARG 38 HD1 ARG 38 -8.643 6.337 -5.168 311 HE ARG 38 HE ARG 38 -6.272 5.533 -5.735 312 HH11 ARG 38 HH11 ARG 38 -8.950 3.420 -4.762 313 HH12 ARG 38 HH12 ARG 38 -8.347 2.055 -5.584 314 HH21 ARG 38 HH21 ARG 38 -5.467 3.639 -6.847 315 HH22 ARG 38 HH22 ARG 38 -6.285 2.156 -6.721 316 H GLU 39 H GLU 39 -6.060 6.287 0.382 317 HA GLU 39 HA GLU 39 -7.627 8.595 0.863 318 HB2 GLU 39 HB2 GLU 39 -6.540 6.518 2.771 319 HB3 GLU 39 HB1 GLU 39 -7.606 7.819 3.276 320 HG2 GLU 39 HG2 GLU 39 -9.327 6.977 1.730 321 HG3 GLU 39 HG1 GLU 39 -8.256 5.648 1.293 322 H ARG 40 H ARG 40 -4.316 7.796 1.375 323 HA ARG 40 HA ARG 40 -3.581 9.988 3.022 324 HB2 ARG 40 HB2 ARG 40 -2.136 8.038 2.783 325 HB3 ARG 40 HB1 ARG 40 -2.008 8.306 1.060 326 HG2 ARG 40 HG2 ARG 40 -0.706 10.329 1.464 327 HG3 ARG 40 HG1 ARG 40 -0.862 10.084 3.209 328 HD2 ARG 40 HD2 ARG 40 0.316 7.981 3.068 329 HD3 ARG 40 HD1 ARG 40 0.354 8.083 1.313 330 HE ARG 40 HE ARG 40 1.635 10.325 2.143 331 HH11 ARG 40 HH11 ARG 40 2.071 6.885 2.882 332 HH12 ARG 40 HH12 ARG 40 3.762 6.942 2.990 333 HH21 ARG 40 HH21 ARG 40 4.016 10.407 2.193 334 HH22 ARG 40 HH22 ARG 40 4.890 8.980 2.548 335 H GLU 41 H GLU 41 -3.754 9.488 -0.455 336 HA GLU 41 HA GLU 41 -2.904 12.068 -1.244 337 HB2 GLU 41 HB2 GLU 41 -4.790 10.155 -2.628 338 HB3 GLU 41 HB1 GLU 41 -4.011 11.540 -3.378 339 HG2 GLU 41 HG2 GLU 41 -1.835 10.515 -3.030 340 HG3 GLU 41 HG1 GLU 41 -2.609 9.136 -2.250 341 H GLY 42 H GLY 42 -5.936 10.709 -0.257 342 HA2 GLY 42 HA2 GLY 42 -7.595 12.943 -0.882 343 HA3 GLY 42 HA1 GLY 42 -7.998 11.628 0.211 344 H ARG 43 H ARG 43 -5.518 12.158 1.762 345 HA ARG 43 HA ARG 43 -6.601 14.161 3.534 346 HB2 ARG 43 HB2 ARG 43 -4.013 12.604 3.674 347 HB3 ARG 43 HB1 ARG 43 -4.550 13.728 4.908 348 HG2 ARG 43 HG2 ARG 43 -5.948 11.181 4.095 349 HG3 ARG 43 HG1 ARG 43 -4.991 11.431 5.556 350 HD2 ARG 43 HD2 ARG 43 -7.551 12.856 4.838 351 HD3 ARG 43 HD1 ARG 43 -7.372 11.582 6.037 352 HE ARG 43 HE ARG 43 -5.604 13.487 6.828 353 HH11 ARG 43 HH11 ARG 43 -9.068 13.506 6.149 354 HH12 ARG 43 HH12 ARG 43 -9.449 14.679 7.311 355 HH21 ARG 43 HH21 ARG 43 -6.113 15.202 8.408 356 HH22 ARG 43 HH22 ARG 43 -7.735 15.650 8.599 357 H ARG 44 H ARG 44 -4.228 13.979 1.079 358 HA ARG 44 HA ARG 44 -2.796 16.349 1.659 359 HB2 ARG 44 HB2 ARG 44 -3.327 15.011 -0.992 360 HB3 ARG 44 HB1 ARG 44 -2.204 16.336 -0.752 361 HG2 ARG 44 HG2 ARG 44 -0.853 14.914 0.706 362 HG3 ARG 44 HG1 ARG 44 -1.994 13.588 0.449 363 HD2 ARG 44 HD2 ARG 44 -1.554 13.644 -1.938 364 HD3 ARG 44 HD1 ARG 44 -0.464 15.007 -1.718 365 HE ARG 44 HE ARG 44 0.478 13.006 -0.102 366 HH11 ARG 44 HH11 ARG 44 -0.127 13.388 -3.585 367 HH12 ARG 44 HH12 ARG 44 1.185 12.414 -4.030 368 HH21 ARG 44 HH21 ARG 44 2.310 11.683 -0.784 369 HH22 ARG 44 HH22 ARG 44 2.557 11.476 -2.478 370 H GLU 45 H GLU 45 -3.062 18.409 0.779 371 HA GLU 45 HA GLU 45 -5.785 18.982 -0.099 372 HB2 GLU 45 HB2 GLU 45 -3.640 20.866 0.923 373 HB3 GLU 45 HB1 GLU 45 -5.306 21.277 0.563 374 HG2 GLU 45 HG2 GLU 45 -6.091 19.919 2.386 375 HG3 GLU 45 HG1 GLU 45 -4.447 19.372 2.722 376 H VAL 46 H VAL 46 -5.754 18.746 -2.258 377 HA VAL 46 HA VAL 46 -3.392 19.329 -3.746 378 HB VAL 46 HB VAL 46 -4.673 18.755 -5.790 379 HG11 VAL 46 HG11 VAL 46 -5.071 16.391 -5.240 380 HG12 VAL 46 HG12 VAL 46 -4.969 16.793 -3.526 381 HG13 VAL 46 3HG1 VAL 46 -3.560 16.999 -4.563 382 HG21 VAL 46 HG21 VAL 46 -6.998 18.296 -3.913 383 HG22 VAL 46 HG22 VAL 46 -6.969 17.907 -5.631 384 HG23 VAL 46 HG23 VAL 46 -6.888 19.588 -5.104 385 H ASP 47 H ASP 47 -2.843 21.018 -4.855 386 HA ASP 47 HA ASP 47 -4.676 23.293 -4.817 387 HB2 ASP 47 HB2 ASP 47 -2.919 23.636 -3.172 388 HB3 ASP 47 HB1 ASP 47 -1.684 23.279 -4.371 Start of MODEL 15 1 H2 PRO 1 HT1 PRO 1 9.146 14.041 5.789 2 H3 PRO 1 HT2 PRO 1 9.925 15.410 6.224 3 HA PRO 1 HA PRO 1 9.240 16.209 4.426 4 HB2 PRO 1 HB2 PRO 1 10.686 14.681 2.505 5 HB3 PRO 1 HB1 PRO 1 11.099 16.275 3.148 6 HG2 PRO 1 HG2 PRO 1 12.525 13.974 3.665 7 HG3 PRO 1 HG1 PRO 1 12.539 15.424 4.683 8 HD2 PRO 1 HD2 PRO 1 11.009 12.873 5.039 9 HD3 PRO 1 HD1 PRO 1 11.808 13.877 6.267 10 H ARG 2 H ARG 2 8.544 15.461 1.981 11 HA ARG 2 HA ARG 2 7.066 12.971 2.269 12 HB2 ARG 2 HB2 ARG 2 5.076 13.972 1.299 13 HB3 ARG 2 HB1 ARG 2 5.527 14.838 2.753 14 HG2 ARG 2 HG2 ARG 2 6.560 16.580 1.305 15 HG3 ARG 2 HG1 ARG 2 5.919 15.722 -0.097 16 HD2 ARG 2 HD2 ARG 2 4.364 16.993 2.155 17 HD3 ARG 2 HD1 ARG 2 4.403 17.492 0.466 18 HE ARG 2 HE ARG 2 3.501 14.831 0.649 19 HH11 ARG 2 HH11 ARG 2 2.381 18.139 1.241 20 HH12 ARG 2 HH12 ARG 2 0.729 17.751 1.153 21 HH21 ARG 2 HH21 ARG 2 1.245 14.293 0.551 22 HH22 ARG 2 HH22 ARG 2 0.070 15.502 0.762 23 H GLY 3 H GLY 3 6.206 12.275 0.068 24 HA2 GLY 3 HA2 GLY 3 7.260 13.234 -2.294 25 HA3 GLY 3 HA1 GLY 3 8.362 12.006 -1.663 26 H SER 4 H SER 4 7.900 10.561 -3.305 27 HA SER 4 HA SER 4 5.398 9.722 -4.125 28 HB2 SER 4 HB2 SER 4 7.944 8.111 -3.953 29 HB3 SER 4 HB1 SER 4 6.581 7.813 -5.037 30 HG SER 4 HG SER 4 7.092 10.205 -5.561 31 HA PRO 5 HA PRO 5 4.350 7.788 -0.190 32 HB2 PRO 5 HB2 PRO 5 1.740 7.595 -0.631 33 HB3 PRO 5 HB1 PRO 5 2.506 9.162 -0.306 34 HG2 PRO 5 HG2 PRO 5 1.631 7.953 -2.893 35 HG3 PRO 5 HG1 PRO 5 1.449 9.623 -2.329 36 HD2 PRO 5 HD2 PRO 5 3.403 8.785 -4.047 37 HD3 PRO 5 HD1 PRO 5 3.563 10.190 -2.972 38 H ARG 6 H ARG 6 4.266 6.551 -3.219 39 HA ARG 6 HA ARG 6 2.870 4.126 -2.961 40 HB2 ARG 6 HB2 ARG 6 4.134 3.350 -4.891 41 HB3 ARG 6 HB1 ARG 6 3.481 4.977 -5.132 42 HG2 ARG 6 HG2 ARG 6 5.700 5.883 -4.610 43 HG3 ARG 6 HG1 ARG 6 6.296 4.232 -4.439 44 HD2 ARG 6 HD2 ARG 6 5.683 3.800 -6.786 45 HD3 ARG 6 HD1 ARG 6 5.183 5.488 -6.940 46 HE ARG 6 HE ARG 6 7.817 5.255 -5.943 47 HH11 ARG 6 HH11 ARG 6 5.956 5.177 -8.961 48 HH12 ARG 6 HH12 ARG 6 7.303 5.521 -9.949 49 HH21 ARG 6 HH21 ARG 6 9.656 5.712 -7.338 50 HH22 ARG 6 HH22 ARG 6 9.419 5.818 -9.023 51 H THR 7 H THR 7 5.903 5.070 -1.793 52 HA THR 7 HA THR 7 7.149 2.591 -1.448 53 HB THR 7 HB THR 7 8.363 4.730 -1.126 54 HG1 THR 7 HG1 THR 7 9.103 3.983 1.234 55 HG21 THR 7 HG21 THR 7 6.834 4.936 1.481 56 HG22 THR 7 HG22 THR 7 6.653 6.003 0.089 57 HG23 THR 7 HG23 THR 7 8.168 5.984 0.993 58 H GLU 8 H GLU 8 4.609 4.128 0.450 59 HA GLU 8 HA GLU 8 4.637 2.288 2.637 60 HB2 GLU 8 HB2 GLU 8 3.568 4.455 2.907 61 HB3 GLU 8 HB1 GLU 8 2.521 4.150 1.529 62 HG2 GLU 8 HG2 GLU 8 1.394 2.384 2.751 63 HG3 GLU 8 HG1 GLU 8 2.447 2.646 4.140 64 H TYR 9 H TYR 9 2.883 2.646 -0.347 65 HA TYR 9 HA TYR 9 0.996 0.656 -0.143 66 HB2 TYR 9 HB2 TYR 9 0.695 2.455 -1.577 67 HB3 TYR 9 HB1 TYR 9 2.304 2.299 -2.243 68 HD1 TYR 9 HD1 TYR 9 2.763 0.667 -3.861 69 HD2 TYR 9 HD2 TYR 9 -1.117 1.292 -2.460 70 HE1 TYR 9 HE1 TYR 9 1.912 -0.453 -5.895 71 HE2 TYR 9 HE2 TYR 9 -2.069 0.206 -4.442 72 HH TYR 9 HH TYR 9 -1.149 -0.073 -6.873 73 H GLU 10 H GLU 10 4.154 0.725 -1.790 74 HA GLU 10 HA GLU 10 3.949 -1.893 -2.801 75 HB2 GLU 10 HB2 GLU 10 5.423 -0.037 -3.675 76 HB3 GLU 10 HB1 GLU 10 6.501 -0.362 -2.322 77 HG2 GLU 10 HG2 GLU 10 7.269 -1.454 -4.341 78 HG3 GLU 10 HG1 GLU 10 6.809 -2.651 -3.117 79 H ALA 11 H ALA 11 5.532 -0.527 0.053 80 HA ALA 11 HA ALA 11 6.778 -2.855 0.974 81 HB1 ALA 11 HB1 ALA 11 5.648 -0.589 2.616 82 HB2 ALA 11 HB2 ALA 11 7.250 -0.618 1.885 83 HB3 ALA 11 HB3 ALA 11 6.843 -1.766 3.163 84 H CYS 12 H CYS 12 3.558 -1.623 1.368 85 HA CYS 12 HA CYS 12 2.546 -3.381 3.285 86 HB2 CYS 12 HB2 CYS 12 1.424 -1.336 2.557 87 HB3 CYS 12 HB1 CYS 12 1.176 -2.025 0.965 88 H ARG 13 H ARG 13 2.842 -3.691 -0.237 89 HA ARG 13 HA ARG 13 1.355 -6.117 -0.348 90 HB2 ARG 13 HB2 ARG 13 3.211 -4.902 -2.405 91 HB3 ARG 13 HB1 ARG 13 2.188 -6.306 -2.680 92 HG2 ARG 13 HG2 ARG 13 0.229 -4.830 -2.078 93 HG3 ARG 13 HG1 ARG 13 1.347 -3.473 -2.171 94 HD2 ARG 13 HD2 ARG 13 0.794 -5.419 -4.410 95 HD3 ARG 13 HD1 ARG 13 0.036 -3.849 -4.238 96 HE ARG 13 HE ARG 13 2.921 -3.703 -4.351 97 HH11 ARG 13 HH11 ARG 13 0.018 -4.063 -6.336 98 HH12 ARG 13 HH12 ARG 13 0.658 -3.218 -7.665 99 HH21 ARG 13 HH21 ARG 13 3.814 -2.589 -6.193 100 HH22 ARG 13 HH22 ARG 13 2.841 -2.358 -7.575 101 H VAL 14 H VAL 14 4.754 -5.319 -0.181 102 HA VAL 14 HA VAL 14 5.689 -8.004 -0.434 103 HB VAL 14 HB VAL 14 7.030 -5.679 0.994 104 HG11 VAL 14 HG11 VAL 14 8.221 -8.190 -0.180 105 HG12 VAL 14 HG12 VAL 14 8.015 -7.848 1.535 106 HG13 VAL 14 3HG1 VAL 14 9.121 -6.869 0.571 107 HG21 VAL 14 HG21 VAL 14 8.241 -5.295 -1.107 108 HG22 VAL 14 HG22 VAL 14 6.502 -5.072 -1.304 109 HG23 VAL 14 HG23 VAL 14 7.275 -6.550 -1.879 110 H ARG 15 H ARG 15 4.982 -5.900 2.303 111 HA ARG 15 HA ARG 15 5.689 -7.425 4.472 112 HB2 ARG 15 HB2 ARG 15 4.818 -5.104 4.538 113 HB3 ARG 15 HB1 ARG 15 3.208 -5.733 4.233 114 HG2 ARG 15 HG2 ARG 15 3.485 -7.100 6.340 115 HG3 ARG 15 HG1 ARG 15 4.916 -6.118 6.668 116 HD2 ARG 15 HD2 ARG 15 3.111 -5.087 7.817 117 HD3 ARG 15 HD1 ARG 15 3.454 -4.105 6.396 118 HE ARG 15 HE ARG 15 1.357 -6.119 6.178 119 HH11 ARG 15 HH11 ARG 15 2.184 -2.699 6.485 120 HH12 ARG 15 HH12 ARG 15 0.665 -2.110 6.032 121 HH21 ARG 15 HH21 ARG 15 -0.766 -5.370 5.583 122 HH22 ARG 15 HH22 ARG 15 -1.103 -3.710 5.494 123 H CYS 16 H CYS 16 2.493 -7.326 2.920 124 HA CYS 16 HA CYS 16 1.562 -9.424 4.550 125 HB2 CYS 16 HB2 CYS 16 0.367 -8.143 2.118 126 HB3 CYS 16 HB1 CYS 16 -0.443 -9.402 3.053 127 H GLN 17 H GLN 17 3.201 -9.448 1.498 128 HA GLN 17 HA GLN 17 2.394 -12.094 0.883 129 HB2 GLN 17 HB2 GLN 17 3.328 -10.527 -0.807 130 HB3 GLN 17 HB1 GLN 17 4.884 -10.611 0.006 131 HG2 GLN 17 HG2 GLN 17 4.778 -12.009 -1.981 132 HG3 GLN 17 HG1 GLN 17 5.084 -12.945 -0.517 133 HE21 GLN 17 1HE2 GLN 17 2.761 -12.239 -3.020 134 HE22 GLN 17 2HE2 GLN 17 1.704 -13.546 -2.648 135 H VAL 18 H VAL 18 5.020 -10.665 2.698 136 HA VAL 18 HA VAL 18 6.310 -13.175 3.211 137 HB VAL 18 HB VAL 18 6.751 -10.467 4.504 138 HG11 VAL 18 HG11 VAL 18 7.601 -12.251 5.909 139 HG12 VAL 18 HG12 VAL 18 8.938 -11.366 5.174 140 HG13 VAL 18 3HG1 VAL 18 8.470 -12.944 4.540 141 HG21 VAL 18 HG21 VAL 18 8.680 -10.302 3.009 142 HG22 VAL 18 HG22 VAL 18 7.167 -10.422 2.111 143 HG23 VAL 18 HG23 VAL 18 8.222 -11.828 2.254 144 H ALA 19 H ALA 19 4.356 -10.937 5.158 145 HA ALA 19 HA ALA 19 4.510 -12.593 7.500 146 HB1 ALA 19 HB1 ALA 19 3.104 -10.932 8.557 147 HB2 ALA 19 HB2 ALA 19 2.757 -10.198 6.992 148 HB3 ALA 19 HB3 ALA 19 4.394 -10.144 7.646 149 H GLU 20 H GLU 20 1.802 -11.630 5.392 150 HA GLU 20 HA GLU 20 -0.028 -13.367 6.731 151 HB2 GLU 20 HB2 GLU 20 -0.322 -12.056 4.019 152 HB3 GLU 20 HB1 GLU 20 -1.608 -12.765 4.980 153 HG2 GLU 20 HG2 GLU 20 0.011 -10.352 5.762 154 HG3 GLU 20 HG1 GLU 20 -1.587 -10.296 5.043 155 H HIS 21 H HIS 21 1.817 -13.444 3.775 156 HA HIS 21 HA HIS 21 2.613 -15.073 2.460 157 HB2 HIS 21 HB2 HIS 21 3.163 -16.300 4.546 158 HB3 HIS 21 HB1 HIS 21 1.555 -17.002 4.550 159 HD1 HIS 21 HD1 HIS 21 4.959 -17.619 3.382 160 HD2 HIS 21 HD2 HIS 21 1.145 -18.833 2.307 161 HE1 HIS 21 HE1 HIS 21 5.258 -19.731 2.041 162 H GLY 22 H GLY 22 1.511 -14.901 0.630 163 HA2 GLY 22 HA2 GLY 22 0.091 -16.664 -0.584 164 HA3 GLY 22 HA1 GLY 22 -1.137 -16.082 0.536 165 H VAL 23 H VAL 23 -1.058 -15.992 -2.334 166 HA VAL 23 HA VAL 23 -0.488 -13.354 -3.207 167 HB VAL 23 HB VAL 23 -2.250 -15.448 -4.520 168 HG11 VAL 23 HG11 VAL 23 -2.625 -13.223 -5.434 169 HG12 VAL 23 HG12 VAL 23 -1.793 -14.244 -6.606 170 HG13 VAL 23 3HG1 VAL 23 -0.893 -13.026 -5.702 171 HG21 VAL 23 HG21 VAL 23 -0.267 -16.020 -5.859 172 HG22 VAL 23 HG22 VAL 23 -0.007 -16.320 -4.139 173 HG23 VAL 23 HG23 VAL 23 0.694 -14.893 -4.900 174 H GLU 24 H GLU 24 -3.428 -15.066 -2.178 175 HA GLU 24 HA GLU 24 -5.122 -12.863 -2.835 176 HB2 GLU 24 HB2 GLU 24 -5.719 -15.128 -0.927 177 HB3 GLU 24 HB1 GLU 24 -6.886 -14.025 -1.631 178 HG2 GLU 24 HG2 GLU 24 -6.277 -14.879 -3.868 179 HG3 GLU 24 HG1 GLU 24 -5.252 -16.082 -3.084 180 H ARG 25 H ARG 25 -3.399 -13.870 -0.006 181 HA ARG 25 HA ARG 25 -4.509 -11.935 1.765 182 HB2 ARG 25 HB2 ARG 25 -1.773 -13.229 1.845 183 HB3 ARG 25 HB1 ARG 25 -2.492 -12.291 3.142 184 HG2 ARG 25 HG2 ARG 25 -3.522 -14.915 2.076 185 HG3 ARG 25 HG1 ARG 25 -2.633 -14.675 3.576 186 HD2 ARG 25 HD2 ARG 25 -5.333 -13.498 2.918 187 HD3 ARG 25 HD1 ARG 25 -5.056 -14.902 3.941 188 HE ARG 25 HE ARG 25 -3.556 -12.830 5.000 189 HH11 ARG 25 HH11 ARG 25 -7.009 -13.528 4.489 190 HH12 ARG 25 HH12 ARG 25 -7.509 -12.647 5.843 191 HH21 ARG 25 HH21 ARG 25 -4.265 -11.595 6.815 192 HH22 ARG 25 HH22 ARG 25 -5.925 -11.499 7.191 193 H GLN 26 H GLN 26 -1.753 -11.946 -0.427 194 HA GLN 26 HA GLN 26 -0.748 -9.406 0.201 195 HB2 GLN 26 HB2 GLN 26 0.430 -11.166 -1.153 196 HB3 GLN 26 HB1 GLN 26 -0.649 -10.788 -2.487 197 HG2 GLN 26 HG2 GLN 26 0.204 -8.486 -2.504 198 HG3 GLN 26 HG1 GLN 26 1.313 -8.902 -1.203 199 HE21 GLN 26 1HE2 GLN 26 3.157 -8.552 -2.305 200 HE22 GLN 26 2HE2 GLN 26 3.686 -9.508 -3.645 201 H ARG 27 H ARG 27 -3.100 -10.489 -2.222 202 HA ARG 27 HA ARG 27 -3.601 -8.008 -3.419 203 HB2 ARG 27 HB2 ARG 27 -5.414 -10.394 -3.128 204 HB3 ARG 27 HB1 ARG 27 -5.766 -9.014 -4.152 205 HG2 ARG 27 HG2 ARG 27 -3.733 -9.490 -5.450 206 HG3 ARG 27 HG1 ARG 27 -3.442 -10.905 -4.436 207 HD2 ARG 27 HD2 ARG 27 -4.523 -11.579 -6.491 208 HD3 ARG 27 HD1 ARG 27 -5.617 -11.817 -5.128 209 HE ARG 27 HE ARG 27 -6.058 -9.288 -6.191 210 HH11 ARG 27 HH11 ARG 27 -6.600 -12.672 -7.018 211 HH12 ARG 27 HH12 ARG 27 -7.853 -12.379 -8.132 212 HH21 ARG 27 HH21 ARG 27 -7.794 -8.842 -7.688 213 HH22 ARG 27 HH22 ARG 27 -8.556 -10.119 -8.529 214 H ARG 28 H ARG 28 -4.958 -9.499 -0.585 215 HA ARG 28 HA ARG 28 -7.100 -7.748 -0.132 216 HB2 ARG 28 HB2 ARG 28 -6.715 -9.925 1.022 217 HB3 ARG 28 HB1 ARG 28 -5.418 -9.168 1.928 218 HG2 ARG 28 HG2 ARG 28 -7.012 -7.635 2.947 219 HG3 ARG 28 HG1 ARG 28 -8.325 -8.386 2.032 220 HD2 ARG 28 HD2 ARG 28 -7.665 -10.556 3.054 221 HD3 ARG 28 HD1 ARG 28 -6.573 -9.666 4.108 222 HE ARG 28 HE ARG 28 -8.683 -8.440 4.796 223 HH11 ARG 28 HH11 ARG 28 -8.692 -11.828 3.698 224 HH12 ARG 28 HH12 ARG 28 -9.973 -12.287 4.693 225 HH21 ARG 28 HH21 ARG 28 -10.516 -9.110 6.159 226 HH22 ARG 28 HH22 ARG 28 -11.037 -10.725 6.110 227 H CYS 29 H CYS 29 -3.771 -7.718 1.065 228 HA CYS 29 HA CYS 29 -4.006 -5.237 2.377 229 HB2 CYS 29 HB2 CYS 29 -1.636 -6.854 1.476 230 HB3 CYS 29 HB1 CYS 29 -1.487 -5.345 2.374 231 H GLN 30 H GLN 30 -3.052 -6.202 -0.858 232 HA GLN 30 HA GLN 30 -2.082 -3.772 -1.768 233 HB2 GLN 30 HB2 GLN 30 -1.834 -5.750 -3.123 234 HB3 GLN 30 HB1 GLN 30 -3.578 -5.946 -3.220 235 HG2 GLN 30 HG2 GLN 30 -3.787 -4.003 -4.600 236 HG3 GLN 30 HG1 GLN 30 -2.084 -3.608 -4.392 237 HE21 GLN 30 1HE2 GLN 30 -3.664 -4.155 -6.800 238 HE22 GLN 30 2HE2 GLN 30 -2.838 -5.430 -7.609 239 H GLN 31 H GLN 31 -5.391 -5.031 -1.822 240 HA GLN 31 HA GLN 31 -6.647 -2.859 -2.999 241 HB2 GLN 31 HB2 GLN 31 -7.744 -5.013 -2.575 242 HB3 GLN 31 HB1 GLN 31 -7.710 -4.693 -0.850 243 HG2 GLN 31 HG2 GLN 31 -9.925 -4.269 -1.727 244 HG3 GLN 31 HG1 GLN 31 -9.188 -2.762 -1.195 245 HE21 GLN 31 1HE2 GLN 31 -10.510 -1.540 -2.503 246 HE22 GLN 31 2HE2 GLN 31 -10.297 -1.459 -4.212 247 H VAL 32 H VAL 32 -6.061 -3.460 0.444 248 HA VAL 32 HA VAL 32 -7.285 -1.079 1.366 249 HB VAL 32 HB VAL 32 -5.171 -2.761 2.743 250 HG11 VAL 32 HG11 VAL 32 -7.100 -0.751 3.908 251 HG12 VAL 32 HG12 VAL 32 -5.355 -0.546 3.755 252 HG13 VAL 32 3HG1 VAL 32 -6.006 -1.783 4.831 253 HG21 VAL 32 HG21 VAL 32 -8.179 -2.860 2.893 254 HG22 VAL 32 HG22 VAL 32 -7.084 -3.755 3.942 255 HG23 VAL 32 HG23 VAL 32 -7.110 -4.087 2.208 256 H CYS 33 H CYS 33 -3.884 -1.863 0.695 257 HA CYS 33 HA CYS 33 -3.148 0.768 1.468 258 HB2 CYS 33 HB2 CYS 33 -1.506 -1.445 0.265 259 HB3 CYS 33 HB1 CYS 33 -0.847 0.111 0.778 260 H GLU 34 H GLU 34 -4.203 -0.579 -1.467 261 HA GLU 34 HA GLU 34 -3.171 1.491 -3.138 262 HB2 GLU 34 HB2 GLU 34 -3.949 -0.688 -4.032 263 HB3 GLU 34 HB1 GLU 34 -5.572 -0.317 -3.490 264 HG2 GLU 34 HG2 GLU 34 -5.648 1.583 -5.019 265 HG3 GLU 34 HG1 GLU 34 -4.018 1.196 -5.564 266 H LYS 35 H LYS 35 -5.965 0.943 -1.161 267 HA LYS 35 HA LYS 35 -7.464 3.216 -1.871 268 HB2 LYS 35 HB2 LYS 35 -8.234 1.194 -0.522 269 HB3 LYS 35 HB1 LYS 35 -7.321 1.839 0.820 270 HG2 LYS 35 HG2 LYS 35 -9.624 2.394 1.126 271 HG3 LYS 35 HG1 LYS 35 -8.729 3.869 0.767 272 HD2 LYS 35 HD2 LYS 35 -10.808 3.860 -0.456 273 HD3 LYS 35 HD1 LYS 35 -9.467 3.712 -1.586 274 HE2 LYS 35 HE2 LYS 35 -9.863 1.282 -1.714 275 HE3 LYS 35 HE1 LYS 35 -11.197 1.454 -0.571 276 HZ1 LYS 35 HZ1 LYS 35 -11.988 1.360 -2.874 277 HZ2 LYS 35 HZ2 LYS 35 -11.050 2.729 -3.243 278 HZ3 LYS 35 HZ3 LYS 35 -12.322 2.859 -2.183 279 H ARG 36 H ARG 36 -5.020 2.544 0.566 280 HA ARG 36 HA ARG 36 -4.835 5.093 1.741 281 HB2 ARG 36 HB2 ARG 36 -2.701 2.974 1.437 282 HB3 ARG 36 HB1 ARG 36 -2.560 4.387 2.472 283 HG2 ARG 36 HG2 ARG 36 -4.435 3.638 3.806 284 HG3 ARG 36 HG1 ARG 36 -4.671 2.266 2.726 285 HD2 ARG 36 HD2 ARG 36 -3.532 1.589 4.741 286 HD3 ARG 36 HD1 ARG 36 -2.482 1.405 3.342 287 HE ARG 36 HE ARG 36 -1.399 3.524 4.067 288 HH11 ARG 36 HH11 ARG 36 -3.140 1.569 6.483 289 HH12 ARG 36 HH12 ARG 36 -2.174 2.088 7.784 290 HH21 ARG 36 HH21 ARG 36 -0.079 4.169 5.870 291 HH22 ARG 36 HH22 ARG 36 -0.431 3.590 7.440 292 H LEU 37 H LEU 37 -3.064 3.640 -0.953 293 HA LEU 37 HA LEU 37 -1.413 5.797 -1.570 294 HB2 LEU 37 HB2 LEU 37 -1.112 3.546 -2.492 295 HB3 LEU 37 HB1 LEU 37 -2.593 3.713 -3.410 296 HG LEU 37 HG LEU 37 -1.588 5.496 -4.716 297 HD11 LEU 37 HD11 LEU 37 0.869 5.872 -4.578 298 HD12 LEU 37 HD12 LEU 37 0.905 4.850 -3.135 299 HD13 LEU 37 HD13 LEU 37 0.016 6.369 -3.118 300 HD21 LEU 37 HD21 LEU 37 -1.475 3.250 -5.563 301 HD22 LEU 37 HD22 LEU 37 0.010 2.955 -4.661 302 HD23 LEU 37 HD23 LEU 37 -0.000 4.120 -5.984 303 H ARG 38 H ARG 38 -4.669 4.998 -2.682 304 HA ARG 38 HA ARG 38 -5.016 7.093 -4.516 305 HB2 ARG 38 HB2 ARG 38 -6.499 5.124 -4.355 306 HB3 ARG 38 HB1 ARG 38 -7.085 5.701 -2.812 307 HG2 ARG 38 HG2 ARG 38 -8.732 6.161 -4.498 308 HG3 ARG 38 HG1 ARG 38 -8.040 7.682 -3.951 309 HD2 ARG 38 HD2 ARG 38 -7.030 6.280 -6.414 310 HD3 ARG 38 HD1 ARG 38 -8.427 7.337 -6.475 311 HE ARG 38 HE ARG 38 -6.919 9.117 -5.648 312 HH11 ARG 38 HH11 ARG 38 -5.463 6.324 -7.266 313 HH12 ARG 38 HH12 ARG 38 -4.199 7.224 -7.969 314 HH21 ARG 38 HH21 ARG 38 -5.182 10.371 -6.742 315 HH22 ARG 38 HH22 ARG 38 -4.059 9.521 -7.685 316 H GLU 39 H GLU 39 -5.544 6.924 -1.023 317 HA GLU 39 HA GLU 39 -6.594 9.556 -0.880 318 HB2 GLU 39 HB2 GLU 39 -5.400 7.798 1.264 319 HB3 GLU 39 HB1 GLU 39 -6.133 9.367 1.572 320 HG2 GLU 39 HG2 GLU 39 -7.514 6.966 0.403 321 HG3 GLU 39 HG1 GLU 39 -7.684 7.561 2.052 322 H ARG 40 H ARG 40 -3.396 8.197 -0.271 323 HA ARG 40 HA ARG 40 -2.229 10.607 0.451 324 HB2 ARG 40 HB2 ARG 40 -0.981 8.152 -0.736 325 HB3 ARG 40 HB1 ARG 40 -0.042 9.547 -0.234 326 HG2 ARG 40 HG2 ARG 40 -1.035 9.274 2.057 327 HG3 ARG 40 HG1 ARG 40 -1.717 7.739 1.499 328 HD2 ARG 40 HD2 ARG 40 0.497 6.929 0.959 329 HD3 ARG 40 HD1 ARG 40 1.201 8.474 1.423 330 HE ARG 40 HE ARG 40 0.169 6.377 3.123 331 HH11 ARG 40 HH11 ARG 40 1.528 9.708 3.009 332 HH12 ARG 40 HH12 ARG 40 2.223 9.588 4.556 333 HH21 ARG 40 HH21 ARG 40 1.209 6.308 5.215 334 HH22 ARG 40 HH22 ARG 40 2.052 7.681 5.822 335 H GLU 41 H GLU 41 -2.124 9.039 -2.774 336 HA GLU 41 HA GLU 41 -0.888 11.263 -4.048 337 HB2 GLU 41 HB2 GLU 41 -2.361 8.856 -5.101 338 HB3 GLU 41 HB1 GLU 41 -1.696 10.090 -6.160 339 HG2 GLU 41 HG2 GLU 41 -0.031 8.601 -4.156 340 HG3 GLU 41 HG1 GLU 41 -0.299 8.016 -5.796 341 H GLY 42 H GLY 42 -4.113 10.577 -3.132 342 HA2 GLY 42 HA2 GLY 42 -5.390 12.185 -5.088 343 HA3 GLY 42 HA1 GLY 42 -6.106 11.562 -3.609 344 H ARG 43 H ARG 43 -4.142 12.733 -1.866 345 HA ARG 43 HA ARG 43 -5.209 15.467 -1.887 346 HB2 ARG 43 HB2 ARG 43 -3.515 14.251 0.295 347 HB3 ARG 43 HB1 ARG 43 -4.626 15.608 0.416 348 HG2 ARG 43 HG2 ARG 43 -5.330 12.702 0.081 349 HG3 ARG 43 HG1 ARG 43 -5.544 13.686 1.522 350 HD2 ARG 43 HD2 ARG 43 -7.262 14.963 0.487 351 HD3 ARG 43 HD1 ARG 43 -6.899 14.272 -1.100 352 HE ARG 43 HE ARG 43 -7.577 12.318 0.860 353 HH11 ARG 43 HH11 ARG 43 -9.038 14.635 -1.392 354 HH12 ARG 43 HH12 ARG 43 -10.411 13.655 -1.685 355 HH21 ARG 43 HH21 ARG 43 -9.474 10.982 0.398 356 HH22 ARG 43 HH22 ARG 43 -10.655 11.592 -0.669 357 H ARG 44 H ARG 44 -2.307 13.693 -2.338 358 HA ARG 44 HA ARG 44 -0.512 15.922 -2.076 359 HB2 ARG 44 HB2 ARG 44 0.293 13.740 -1.507 360 HB3 ARG 44 HB1 ARG 44 -0.127 13.111 -3.096 361 HG2 ARG 44 HG2 ARG 44 1.524 14.678 -4.057 362 HG3 ARG 44 HG1 ARG 44 2.011 15.098 -2.410 363 HD2 ARG 44 HD2 ARG 44 2.647 12.811 -1.995 364 HD3 ARG 44 HD1 ARG 44 2.063 12.333 -3.590 365 HE ARG 44 HE ARG 44 4.286 14.188 -3.134 366 HH11 ARG 44 HH11 ARG 44 2.763 11.549 -5.030 367 HH12 ARG 44 HH12 ARG 44 4.065 11.448 -6.109 368 HH21 ARG 44 HH21 ARG 44 6.063 13.972 -4.655 369 HH22 ARG 44 HH22 ARG 44 5.943 12.819 -5.906 370 H GLU 45 H GLU 45 -0.038 17.300 -3.606 371 HA GLU 45 HA GLU 45 0.054 18.416 -5.552 372 HB2 GLU 45 HB2 GLU 45 0.527 15.648 -6.689 373 HB3 GLU 45 HB1 GLU 45 0.810 17.149 -7.553 374 HG2 GLU 45 HG2 GLU 45 2.256 16.208 -5.081 375 HG3 GLU 45 HG1 GLU 45 2.893 16.260 -6.722 376 H VAL 46 H VAL 46 -2.478 18.006 -4.716 377 HA VAL 46 HA VAL 46 -4.007 17.134 -7.014 378 HB VAL 46 HB VAL 46 -4.800 16.494 -4.752 379 HG11 VAL 46 HG11 VAL 46 -5.206 19.433 -4.280 380 HG12 VAL 46 HG12 VAL 46 -4.078 18.364 -3.442 381 HG13 VAL 46 3HG1 VAL 46 -5.815 18.141 -3.245 382 HG21 VAL 46 HG21 VAL 46 -7.165 17.159 -4.989 383 HG22 VAL 46 HG22 VAL 46 -6.453 16.632 -6.513 384 HG23 VAL 46 HG23 VAL 46 -6.688 18.352 -6.198 385 H ASP 47 H ASP 47 -5.163 18.500 -8.324 386 HA ASP 47 HA ASP 47 -4.499 21.341 -8.014 387 HB2 ASP 47 HB2 ASP 47 -4.983 19.750 -10.545 388 HB3 ASP 47 HB1 ASP 47 -4.827 21.498 -10.483 Start of MODEL 16 1 H2 PRO 1 HT1 PRO 1 16.554 10.454 5.830 2 H3 PRO 1 HT2 PRO 1 16.164 11.569 6.937 3 HA PRO 1 HA PRO 1 14.844 12.661 5.647 4 HB2 PRO 1 HB2 PRO 1 15.662 11.586 3.062 5 HB3 PRO 1 HB1 PRO 1 15.415 13.268 3.544 6 HG2 PRO 1 HG2 PRO 1 17.903 11.803 3.385 7 HG3 PRO 1 HG1 PRO 1 17.656 13.514 3.755 8 HD2 PRO 1 HD2 PRO 1 18.565 11.630 5.581 9 HD3 PRO 1 HD1 PRO 1 17.784 13.152 6.031 10 H ARG 2 H ARG 2 13.023 11.778 4.243 11 HA ARG 2 HA ARG 2 12.761 8.886 4.755 12 HB2 ARG 2 HB2 ARG 2 10.357 9.202 4.846 13 HB3 ARG 2 HB1 ARG 2 11.123 10.287 5.993 14 HG2 ARG 2 HG2 ARG 2 10.728 12.176 4.614 15 HG3 ARG 2 HG1 ARG 2 10.291 11.161 3.245 16 HD2 ARG 2 HD2 ARG 2 8.741 11.358 5.824 17 HD3 ARG 2 HD1 ARG 2 8.315 12.166 4.315 18 HE ARG 2 HE ARG 2 8.645 9.311 4.138 19 HH11 ARG 2 HH11 ARG 2 6.354 11.971 4.300 20 HH12 ARG 2 HH12 ARG 2 4.972 10.982 4.142 21 HH21 ARG 2 HH21 ARG 2 6.853 7.994 3.762 22 HH22 ARG 2 HH22 ARG 2 5.259 8.582 3.768 23 H GLY 3 H GLY 3 11.181 7.862 3.164 24 HA2 GLY 3 HA2 GLY 3 11.936 8.672 0.490 25 HA3 GLY 3 HA1 GLY 3 11.095 7.192 0.943 26 H SER 4 H SER 4 9.923 8.162 -1.087 27 HA SER 4 HA SER 4 7.954 10.167 -0.519 28 HB2 SER 4 HB2 SER 4 8.041 8.128 -2.757 29 HB3 SER 4 HB1 SER 4 7.205 9.676 -2.760 30 HG SER 4 HG SER 4 9.530 10.452 -2.287 31 HA PRO 5 HA PRO 5 4.702 7.697 1.352 32 HB2 PRO 5 HB2 PRO 5 2.607 8.131 -0.472 33 HB3 PRO 5 HB1 PRO 5 2.969 9.116 0.948 34 HG2 PRO 5 HG2 PRO 5 3.731 9.551 -1.904 35 HG3 PRO 5 HG1 PRO 5 3.264 10.734 -0.674 36 HD2 PRO 5 HD2 PRO 5 5.805 10.461 -1.383 37 HD3 PRO 5 HD1 PRO 5 5.369 10.709 0.321 38 H ARG 6 H ARG 6 5.367 7.286 -2.039 39 HA ARG 6 HA ARG 6 4.077 4.906 -2.600 40 HB2 ARG 6 HB2 ARG 6 5.160 6.110 -4.380 41 HB3 ARG 6 HB1 ARG 6 6.723 5.950 -3.605 42 HG2 ARG 6 HG2 ARG 6 6.849 3.643 -4.112 43 HG3 ARG 6 HG1 ARG 6 5.152 3.581 -4.578 44 HD2 ARG 6 HD2 ARG 6 7.240 5.210 -6.018 45 HD3 ARG 6 HD1 ARG 6 6.751 3.582 -6.489 46 HE ARG 6 HE ARG 6 4.483 5.199 -6.246 47 HH11 ARG 6 HH11 ARG 6 7.272 4.872 -8.406 48 HH12 ARG 6 HH12 ARG 6 6.420 5.313 -9.805 49 HH21 ARG 6 HH21 ARG 6 3.298 5.791 -8.173 50 HH22 ARG 6 HH22 ARG 6 4.109 5.896 -9.664 51 H THR 7 H THR 7 7.189 5.400 -0.932 52 HA THR 7 HA THR 7 7.894 2.686 -0.929 53 HB THR 7 HB THR 7 9.511 4.635 -0.468 54 HG1 THR 7 HG1 THR 7 9.572 2.560 1.481 55 HG21 THR 7 HG21 THR 7 8.209 5.788 1.274 56 HG22 THR 7 HG22 THR 7 9.801 5.321 1.877 57 HG23 THR 7 HG23 THR 7 8.378 4.382 2.326 58 H GLU 8 H GLU 8 5.687 4.508 1.014 59 HA GLU 8 HA GLU 8 5.692 2.812 3.285 60 HB2 GLU 8 HB2 GLU 8 3.549 4.716 2.327 61 HB3 GLU 8 HB1 GLU 8 3.599 3.950 3.904 62 HG2 GLU 8 HG2 GLU 8 5.752 5.128 4.334 63 HG3 GLU 8 HG1 GLU 8 5.528 5.980 2.808 64 H TYR 9 H TYR 9 3.424 3.124 0.534 65 HA TYR 9 HA TYR 9 1.920 0.895 1.517 66 HB2 TYR 9 HB2 TYR 9 0.326 1.443 -0.027 67 HB3 TYR 9 HB1 TYR 9 1.223 2.949 -0.077 68 HD1 TYR 9 HD1 TYR 9 2.830 3.336 -1.973 69 HD2 TYR 9 HD2 TYR 9 0.181 0.035 -1.852 70 HE1 TYR 9 HE1 TYR 9 3.155 2.993 -4.383 71 HE2 TYR 9 HE2 TYR 9 0.477 -0.338 -4.193 72 HH TYR 9 HH TYR 9 2.964 1.148 -5.960 73 H GLU 10 H GLU 10 4.536 1.295 -0.750 74 HA GLU 10 HA GLU 10 4.335 -1.241 -1.972 75 HB2 GLU 10 HB2 GLU 10 5.648 0.710 -2.833 76 HB3 GLU 10 HB1 GLU 10 6.798 0.468 -1.534 77 HG2 GLU 10 HG2 GLU 10 7.646 -0.430 -3.595 78 HG3 GLU 10 HG1 GLU 10 7.343 -1.743 -2.455 79 H ALA 11 H ALA 11 5.921 -0.038 0.949 80 HA ALA 11 HA ALA 11 7.251 -2.430 1.645 81 HB1 ALA 11 HB1 ALA 11 7.448 -1.472 3.873 82 HB2 ALA 11 HB2 ALA 11 6.243 -0.249 3.469 83 HB3 ALA 11 HB3 ALA 11 7.805 -0.251 2.650 84 H CYS 12 H CYS 12 4.009 -1.274 2.099 85 HA CYS 12 HA CYS 12 3.079 -3.191 3.929 86 HB2 CYS 12 HB2 CYS 12 1.694 -1.293 3.465 87 HB3 CYS 12 HB1 CYS 12 1.669 -1.656 1.745 88 H ARG 13 H ARG 13 3.236 -3.215 0.389 89 HA ARG 13 HA ARG 13 2.080 -5.718 -0.078 90 HB2 ARG 13 HB2 ARG 13 4.270 -4.286 -1.577 91 HB3 ARG 13 HB1 ARG 13 3.461 -5.727 -2.162 92 HG2 ARG 13 HG2 ARG 13 1.346 -4.518 -2.247 93 HG3 ARG 13 HG1 ARG 13 2.145 -3.075 -1.612 94 HD2 ARG 13 HD2 ARG 13 3.553 -2.923 -3.525 95 HD3 ARG 13 HD1 ARG 13 3.003 -4.486 -4.112 96 HE ARG 13 HE ARG 13 0.746 -3.030 -3.998 97 HH11 ARG 13 HH11 ARG 13 3.920 -2.207 -5.383 98 HH12 ARG 13 HH12 ARG 13 3.279 -1.551 -6.806 99 HH21 ARG 13 HH21 ARG 13 -0.106 -2.175 -5.950 100 HH22 ARG 13 HH22 ARG 13 0.917 -1.498 -7.158 101 H VAL 14 H VAL 14 5.457 -4.803 0.430 102 HA VAL 14 HA VAL 14 6.629 -7.337 0.338 103 HB VAL 14 HB VAL 14 7.505 -5.055 2.141 104 HG11 VAL 14 HG11 VAL 14 9.097 -7.295 0.909 105 HG12 VAL 14 HG12 VAL 14 8.602 -7.181 2.593 106 HG13 VAL 14 3HG1 VAL 14 9.740 -6.004 1.929 107 HG21 VAL 14 HG21 VAL 14 8.943 -4.321 0.300 108 HG22 VAL 14 HG22 VAL 14 7.241 -4.250 -0.153 109 HG23 VAL 14 HG23 VAL 14 8.257 -5.569 -0.734 110 H ARG 15 H ARG 15 5.207 -5.560 3.031 111 HA ARG 15 HA ARG 15 5.770 -7.357 5.117 112 HB2 ARG 15 HB2 ARG 15 4.866 -5.070 5.490 113 HB3 ARG 15 HB1 ARG 15 3.336 -5.588 4.814 114 HG2 ARG 15 HG2 ARG 15 3.051 -7.189 6.634 115 HG3 ARG 15 HG1 ARG 15 4.596 -6.687 7.319 116 HD2 ARG 15 HD2 ARG 15 2.817 -5.575 8.503 117 HD3 ARG 15 HD1 ARG 15 3.701 -4.394 7.546 118 HE ARG 15 HE ARG 15 1.209 -5.558 6.523 119 HH11 ARG 15 HH11 ARG 15 3.058 -2.684 7.502 120 HH12 ARG 15 HH12 ARG 15 1.824 -1.600 7.083 121 HH21 ARG 15 HH21 ARG 15 -0.510 -3.993 5.994 122 HH22 ARG 15 HH22 ARG 15 -0.224 -2.344 6.271 123 H CYS 16 H CYS 16 2.943 -7.055 3.044 124 HA CYS 16 HA CYS 16 1.613 -9.212 4.194 125 HB2 CYS 16 HB2 CYS 16 1.191 -7.816 1.580 126 HB3 CYS 16 HB1 CYS 16 0.126 -9.082 2.196 127 H GLN 17 H GLN 17 3.861 -9.168 1.459 128 HA GLN 17 HA GLN 17 3.096 -11.837 0.809 129 HB2 GLN 17 HB2 GLN 17 4.886 -11.843 -0.817 130 HB3 GLN 17 HB1 GLN 17 3.985 -10.344 -0.917 131 HG2 GLN 17 HG2 GLN 17 5.804 -9.307 0.469 132 HG3 GLN 17 HG1 GLN 17 6.722 -10.791 0.209 133 HE21 GLN 17 1HE2 GLN 17 7.358 -11.330 -1.926 134 HE22 GLN 17 2HE2 GLN 17 7.402 -10.118 -3.153 135 H VAL 18 H VAL 18 5.232 -10.483 3.088 136 HA VAL 18 HA VAL 18 6.537 -13.050 3.481 137 HB VAL 18 HB VAL 18 6.944 -10.422 4.941 138 HG11 VAL 18 HG11 VAL 18 7.492 -12.290 6.399 139 HG12 VAL 18 HG12 VAL 18 8.975 -11.493 5.860 140 HG13 VAL 18 3HG1 VAL 18 8.471 -13.017 5.127 141 HG21 VAL 18 HG21 VAL 18 7.689 -10.350 2.622 142 HG22 VAL 18 HG22 VAL 18 8.632 -11.822 2.869 143 HG23 VAL 18 HG23 VAL 18 9.067 -10.343 3.724 144 H ALA 19 H ALA 19 4.650 -10.760 5.474 145 HA ALA 19 HA ALA 19 4.421 -12.579 7.646 146 HB1 ALA 19 HB1 ALA 19 2.851 -10.059 7.133 147 HB2 ALA 19 HB2 ALA 19 4.413 -10.143 7.945 148 HB3 ALA 19 HB3 ALA 19 2.999 -10.909 8.672 149 H GLU 20 H GLU 20 2.106 -11.481 5.177 150 HA GLU 20 HA GLU 20 0.054 -13.222 6.237 151 HB2 GLU 20 HB2 GLU 20 0.075 -11.706 3.606 152 HB3 GLU 20 HB1 GLU 20 -1.310 -12.457 4.382 153 HG2 GLU 20 HG2 GLU 20 0.235 -10.118 5.467 154 HG3 GLU 20 HG1 GLU 20 -1.300 -10.013 4.616 155 H HIS 21 H HIS 21 1.909 -12.902 3.297 156 HA HIS 21 HA HIS 21 2.623 -14.254 1.684 157 HB2 HIS 21 HB2 HIS 21 3.924 -15.142 3.616 158 HB3 HIS 21 HB1 HIS 21 2.694 -16.362 3.866 159 HD1 HIS 21 HD1 HIS 21 5.873 -15.824 2.194 160 HD2 HIS 21 HD2 HIS 21 2.501 -18.159 1.508 161 HE1 HIS 21 HE1 HIS 21 6.603 -17.660 0.659 162 H GLY 22 H GLY 22 0.955 -14.301 0.297 163 HA2 GLY 22 HA2 GLY 22 -0.214 -16.601 -0.488 164 HA3 GLY 22 HA1 GLY 22 -1.355 -15.925 0.677 165 H VAL 23 H VAL 23 -1.649 -16.300 -2.193 166 HA VAL 23 HA VAL 23 -1.355 -13.822 -3.532 167 HB VAL 23 HB VAL 23 -3.218 -16.130 -4.178 168 HG11 VAL 23 HG11 VAL 23 -2.251 -13.885 -5.951 169 HG12 VAL 23 HG12 VAL 23 -3.885 -14.062 -5.315 170 HG13 VAL 23 3HG1 VAL 23 -3.254 -15.244 -6.462 171 HG21 VAL 23 HG21 VAL 23 -1.474 -16.824 -5.757 172 HG22 VAL 23 HG22 VAL 23 -0.884 -16.821 -4.096 173 HG23 VAL 23 HG23 VAL 23 -0.445 -15.511 -5.191 174 H GLU 24 H GLU 24 -4.151 -15.456 -2.189 175 HA GLU 24 HA GLU 24 -6.131 -13.533 -2.501 176 HB2 GLU 24 HB2 GLU 24 -5.856 -15.213 -0.003 177 HB3 GLU 24 HB1 GLU 24 -7.334 -14.605 -0.713 178 HG2 GLU 24 HG2 GLU 24 -7.369 -16.869 -1.205 179 HG3 GLU 24 HG1 GLU 24 -6.762 -16.153 -2.693 180 H ARG 25 H ARG 25 -3.717 -13.914 -0.073 181 HA ARG 25 HA ARG 25 -4.678 -11.908 1.680 182 HB2 ARG 25 HB2 ARG 25 -1.957 -13.218 1.588 183 HB3 ARG 25 HB1 ARG 25 -2.636 -12.292 2.931 184 HG2 ARG 25 HG2 ARG 25 -4.417 -13.909 3.198 185 HG3 ARG 25 HG1 ARG 25 -3.825 -14.825 1.821 186 HD2 ARG 25 HD2 ARG 25 -1.725 -15.249 3.070 187 HD3 ARG 25 HD1 ARG 25 -2.423 -14.412 4.459 188 HE ARG 25 HE ARG 25 -4.249 -16.324 3.715 189 HH11 ARG 25 HH11 ARG 25 -0.911 -16.350 4.925 190 HH12 ARG 25 HH12 ARG 25 -1.053 -17.883 5.642 191 HH21 ARG 25 HH21 ARG 25 -4.414 -18.425 4.712 192 HH22 ARG 25 HH22 ARG 25 -3.089 -19.090 5.541 193 H GLN 26 H GLN 26 -2.264 -11.937 -0.916 194 HA GLN 26 HA GLN 26 -1.532 -9.238 -0.410 195 HB2 GLN 26 HB2 GLN 26 -1.018 -11.077 -2.718 196 HB3 GLN 26 HB1 GLN 26 -0.571 -9.380 -2.797 197 HG2 GLN 26 HG2 GLN 26 0.800 -9.703 -0.753 198 HG3 GLN 26 HG1 GLN 26 0.420 -11.423 -0.822 199 HE21 GLN 26 1HE2 GLN 26 2.103 -8.805 -2.371 200 HE22 GLN 26 2HE2 GLN 26 3.146 -9.783 -3.329 201 H ARG 27 H ARG 27 -3.941 -10.801 -2.393 202 HA ARG 27 HA ARG 27 -4.816 -8.536 -3.828 203 HB2 ARG 27 HB2 ARG 27 -6.402 -10.898 -2.794 204 HB3 ARG 27 HB1 ARG 27 -7.038 -9.700 -3.908 205 HG2 ARG 27 HG2 ARG 27 -5.395 -10.352 -5.575 206 HG3 ARG 27 HG1 ARG 27 -4.700 -11.517 -4.446 207 HD2 ARG 27 HD2 ARG 27 -6.211 -12.589 -6.065 208 HD3 ARG 27 HD1 ARG 27 -6.784 -12.762 -4.408 209 HE ARG 27 HE ARG 27 -8.000 -10.507 -5.370 210 HH11 ARG 27 HH11 ARG 27 -7.983 -13.929 -6.282 211 HH12 ARG 27 HH12 ARG 27 -9.556 -13.904 -6.932 212 HH21 ARG 27 HH21 ARG 27 -10.135 -10.477 -6.239 213 HH22 ARG 27 HH22 ARG 27 -10.830 -11.875 -6.921 214 H ARG 28 H ARG 28 -5.677 -9.804 -0.689 215 HA ARG 28 HA ARG 28 -7.548 -7.916 0.168 216 HB2 ARG 28 HB2 ARG 28 -7.119 -9.994 1.374 217 HB3 ARG 28 HB1 ARG 28 -5.481 -9.479 1.727 218 HG2 ARG 28 HG2 ARG 28 -6.412 -7.621 3.079 219 HG3 ARG 28 HG1 ARG 28 -8.024 -8.276 2.793 220 HD2 ARG 28 HD2 ARG 28 -7.438 -10.336 3.893 221 HD3 ARG 28 HD1 ARG 28 -5.764 -9.809 4.069 222 HE ARG 28 HE ARG 28 -7.712 -8.073 5.273 223 HH11 ARG 28 HH11 ARG 28 -5.626 -10.908 5.834 224 HH12 ARG 28 HH12 ARG 28 -5.559 -10.661 7.515 225 HH21 ARG 28 HH21 ARG 28 -7.594 -7.798 7.607 226 HH22 ARG 28 HH22 ARG 28 -6.670 -8.903 8.530 227 H CYS 29 H CYS 29 -4.012 -7.981 0.676 228 HA CYS 29 HA CYS 29 -3.914 -5.506 1.950 229 HB2 CYS 29 HB2 CYS 29 -1.808 -7.157 0.590 230 HB3 CYS 29 HB1 CYS 29 -1.447 -5.642 1.420 231 H GLN 30 H GLN 30 -3.806 -6.324 -1.444 232 HA GLN 30 HA GLN 30 -2.968 -3.849 -2.454 233 HB2 GLN 30 HB2 GLN 30 -3.110 -5.804 -3.875 234 HB3 GLN 30 HB1 GLN 30 -4.841 -5.912 -3.608 235 HG2 GLN 30 HG2 GLN 30 -5.210 -3.870 -4.814 236 HG3 GLN 30 HG1 GLN 30 -3.474 -3.622 -4.992 237 HE21 GLN 30 1HE2 GLN 30 -2.356 -4.870 -6.389 238 HE22 GLN 30 2HE2 GLN 30 -3.091 -5.807 -7.631 239 H GLN 31 H GLN 31 -6.159 -5.066 -1.608 240 HA GLN 31 HA GLN 31 -7.676 -2.831 -2.424 241 HB2 GLN 31 HB2 GLN 31 -8.673 -5.004 -1.909 242 HB3 GLN 31 HB1 GLN 31 -8.187 -4.841 -0.234 243 HG2 GLN 31 HG2 GLN 31 -9.667 -2.865 -0.042 244 HG3 GLN 31 HG1 GLN 31 -10.215 -3.163 -1.693 245 HE21 GLN 31 1HE2 GLN 31 -11.680 -3.216 0.862 246 HE22 GLN 31 2HE2 GLN 31 -12.377 -4.795 0.926 247 H VAL 32 H VAL 32 -5.903 -3.589 0.457 248 HA VAL 32 HA VAL 32 -6.962 -1.355 1.920 249 HB VAL 32 HB VAL 32 -4.632 -3.162 2.623 250 HG11 VAL 32 HG11 VAL 32 -4.548 -1.053 3.840 251 HG12 VAL 32 HG12 VAL 32 -4.977 -2.377 4.924 252 HG13 VAL 32 3HG1 VAL 32 -6.224 -1.269 4.350 253 HG21 VAL 32 HG21 VAL 32 -7.525 -3.298 3.467 254 HG22 VAL 32 HG22 VAL 32 -6.227 -4.311 4.097 255 HG23 VAL 32 HG23 VAL 32 -6.695 -4.429 2.401 256 H CYS 33 H CYS 33 -3.675 -2.206 0.805 257 HA CYS 33 HA CYS 33 -2.818 0.357 1.588 258 HB2 CYS 33 HB2 CYS 33 -1.296 -1.948 0.443 259 HB3 CYS 33 HB1 CYS 33 -0.542 -0.417 0.875 260 H GLU 34 H GLU 34 -3.223 -1.011 -1.720 261 HA GLU 34 HA GLU 34 -2.219 1.332 -2.878 262 HB2 GLU 34 HB2 GLU 34 -4.039 -0.790 -3.910 263 HB3 GLU 34 HB1 GLU 34 -3.907 0.710 -4.819 264 HG2 GLU 34 HG2 GLU 34 -2.356 -0.574 -5.860 265 HG3 GLU 34 HG1 GLU 34 -1.365 0.225 -4.658 266 H LYS 35 H LYS 35 -5.364 0.561 -1.635 267 HA LYS 35 HA LYS 35 -6.569 2.945 -2.610 268 HB2 LYS 35 HB2 LYS 35 -7.906 0.962 -2.011 269 HB3 LYS 35 HB1 LYS 35 -7.421 1.162 -0.338 270 HG2 LYS 35 HG2 LYS 35 -8.670 3.183 -0.128 271 HG3 LYS 35 HG1 LYS 35 -8.984 3.232 -1.864 272 HD2 LYS 35 HD2 LYS 35 -10.946 2.442 -0.627 273 HD3 LYS 35 HD1 LYS 35 -10.314 1.189 -1.693 274 HE2 LYS 35 HE2 LYS 35 -10.912 0.225 0.433 275 HE3 LYS 35 HE1 LYS 35 -9.167 0.165 0.241 276 HZ1 LYS 35 HZ1 LYS 35 -9.722 0.868 2.444 277 HZ2 LYS 35 HZ2 LYS 35 -10.713 2.086 1.885 278 HZ3 LYS 35 HZ3 LYS 35 -9.050 2.202 1.668 279 H ARG 36 H ARG 36 -4.984 2.037 0.420 280 HA ARG 36 HA ARG 36 -5.379 4.445 1.763 281 HB2 ARG 36 HB2 ARG 36 -3.084 2.504 1.903 282 HB3 ARG 36 HB1 ARG 36 -3.127 3.953 2.887 283 HG2 ARG 36 HG2 ARG 36 -5.226 3.178 3.903 284 HG3 ARG 36 HG1 ARG 36 -5.131 1.704 2.934 285 HD2 ARG 36 HD2 ARG 36 -4.289 1.328 5.191 286 HD3 ARG 36 HD1 ARG 36 -3.008 1.143 3.995 287 HE ARG 36 HE ARG 36 -3.030 3.784 4.926 288 HH11 ARG 36 HH11 ARG 36 -2.275 0.562 6.188 289 HH12 ARG 36 HH12 ARG 36 -1.049 1.114 7.233 290 HH21 ARG 36 HH21 ARG 36 -1.311 4.507 6.385 291 HH22 ARG 36 HH22 ARG 36 -0.491 3.362 7.341 292 H LEU 37 H LEU 37 -2.811 3.504 -0.457 293 HA LEU 37 HA LEU 37 -1.416 5.942 -0.382 294 HB2 LEU 37 HB2 LEU 37 -0.602 3.704 -1.237 295 HB3 LEU 37 HB1 LEU 37 -1.563 3.965 -2.667 296 HG LEU 37 HG LEU 37 0.901 4.363 -2.926 297 HD11 LEU 37 HD11 LEU 37 -0.868 6.704 -3.518 298 HD12 LEU 37 HD12 LEU 37 -0.573 5.291 -4.548 299 HD13 LEU 37 HD13 LEU 37 0.735 6.421 -4.195 300 HD21 LEU 37 HD21 LEU 37 0.362 6.788 -1.224 301 HD22 LEU 37 HD22 LEU 37 1.859 6.435 -2.089 302 HD23 LEU 37 HD23 LEU 37 1.335 5.388 -0.773 303 H ARG 38 H ARG 38 -4.106 4.808 -2.309 304 HA ARG 38 HA ARG 38 -4.273 6.883 -4.189 305 HB2 ARG 38 HB2 ARG 38 -5.533 4.706 -4.227 306 HB3 ARG 38 HB1 ARG 38 -6.574 5.355 -2.971 307 HG2 ARG 38 HG2 ARG 38 -7.147 7.220 -4.553 308 HG3 ARG 38 HG1 ARG 38 -6.282 6.318 -5.798 309 HD2 ARG 38 HD2 ARG 38 -8.609 5.805 -5.974 310 HD3 ARG 38 HD1 ARG 38 -7.777 4.380 -5.339 311 HE ARG 38 HE ARG 38 -8.771 6.064 -3.268 312 HH11 ARG 38 HH11 ARG 38 -9.768 3.517 -5.506 313 HH12 ARG 38 HH12 ARG 38 -11.177 3.129 -4.662 314 HH21 ARG 38 HH21 ARG 38 -10.604 5.601 -2.147 315 HH22 ARG 38 HH22 ARG 38 -11.704 4.378 -2.648 316 H GLU 39 H GLU 39 -5.633 6.541 -0.928 317 HA GLU 39 HA GLU 39 -6.964 9.091 -1.039 318 HB2 GLU 39 HB2 GLU 39 -6.399 7.383 1.388 319 HB3 GLU 39 HB1 GLU 39 -7.567 8.688 1.278 320 HG2 GLU 39 HG2 GLU 39 -7.686 6.000 -0.071 321 HG3 GLU 39 HG1 GLU 39 -8.748 6.620 1.189 322 H ARG 40 H ARG 40 -4.001 7.804 0.156 323 HA ARG 40 HA ARG 40 -2.932 9.678 1.846 324 HB2 ARG 40 HB2 ARG 40 -2.014 7.455 1.076 325 HB3 ARG 40 HB1 ARG 40 -1.484 8.250 -0.387 326 HG2 ARG 40 HG2 ARG 40 0.367 7.944 1.101 327 HG3 ARG 40 HG1 ARG 40 -0.011 9.665 0.979 328 HD2 ARG 40 HD2 ARG 40 -1.011 9.710 3.069 329 HD3 ARG 40 HD1 ARG 40 -1.135 7.950 3.164 330 HE ARG 40 HE ARG 40 1.517 8.357 3.079 331 HH11 ARG 40 HH11 ARG 40 -0.983 9.903 5.030 332 HH12 ARG 40 HH12 ARG 40 -0.000 10.022 6.421 333 HH21 ARG 40 HH21 ARG 40 2.807 8.424 4.959 334 HH22 ARG 40 HH22 ARG 40 2.212 9.153 6.395 335 H GLU 41 H GLU 41 -2.579 9.567 -1.695 336 HA GLU 41 HA GLU 41 -1.589 12.278 -1.756 337 HB2 GLU 41 HB2 GLU 41 -1.434 11.924 -4.213 338 HB3 GLU 41 HB1 GLU 41 -0.551 10.738 -3.268 339 HG2 GLU 41 HG2 GLU 41 -2.260 9.092 -3.644 340 HG3 GLU 41 HG1 GLU 41 -3.277 10.287 -4.447 341 H GLY 42 H GLY 42 -4.587 10.615 -2.401 342 HA2 GLY 42 HA2 GLY 42 -5.839 12.580 -4.004 343 HA3 GLY 42 HA1 GLY 42 -6.656 11.318 -3.101 344 H ARG 43 H ARG 43 -5.749 12.140 -0.535 345 HA ARG 43 HA ARG 43 -7.505 14.434 -0.080 346 HB2 ARG 43 HB2 ARG 43 -6.074 12.550 1.801 347 HB3 ARG 43 HB1 ARG 43 -7.126 13.854 2.318 348 HG2 ARG 43 HG2 ARG 43 -9.045 12.773 1.398 349 HG3 ARG 43 HG1 ARG 43 -8.037 11.587 0.564 350 HD2 ARG 43 HD2 ARG 43 -9.106 10.697 2.616 351 HD3 ARG 43 HD1 ARG 43 -7.349 10.614 2.646 352 HE ARG 43 HE ARG 43 -8.995 12.555 4.148 353 HH11 ARG 43 HH11 ARG 43 -6.017 10.631 3.835 354 HH12 ARG 43 HH12 ARG 43 -5.343 11.248 5.276 355 HH21 ARG 43 HH21 ARG 43 -8.042 13.320 6.129 356 HH22 ARG 43 HH22 ARG 43 -6.456 12.831 6.561 357 H ARG 44 H ARG 44 -4.269 13.721 -0.521 358 HA ARG 44 HA ARG 44 -2.302 14.578 -0.131 359 HB2 ARG 44 HB2 ARG 44 -3.150 16.468 -1.457 360 HB3 ARG 44 HB1 ARG 44 -3.747 17.237 0.012 361 HG2 ARG 44 HG2 ARG 44 -1.478 17.355 0.875 362 HG3 ARG 44 HG1 ARG 44 -0.887 16.589 -0.594 363 HD2 ARG 44 HD2 ARG 44 -1.642 18.499 -1.908 364 HD3 ARG 44 HD1 ARG 44 -2.305 19.254 -0.454 365 HE ARG 44 HE ARG 44 0.404 18.621 -0.075 366 HH11 ARG 44 HH11 ARG 44 -1.560 20.990 -1.845 367 HH12 ARG 44 HH12 ARG 44 -0.401 22.221 -1.745 368 HH21 ARG 44 HH21 ARG 44 2.005 20.320 0.039 369 HH22 ARG 44 HH22 ARG 44 1.649 21.838 -0.639 370 H GLU 45 H GLU 45 -2.101 13.446 1.729 371 HA GLU 45 HA GLU 45 -1.847 15.162 4.098 372 HB2 GLU 45 HB2 GLU 45 -3.866 13.658 4.182 373 HB3 GLU 45 HB1 GLU 45 -2.796 12.281 4.028 374 HG2 GLU 45 HG2 GLU 45 -1.845 12.706 6.185 375 HG3 GLU 45 HG1 GLU 45 -2.721 14.232 6.322 376 H VAL 46 H VAL 46 -0.095 14.460 2.013 377 HA VAL 46 HA VAL 46 1.753 12.479 3.071 378 HB VAL 46 HB VAL 46 2.978 12.785 0.928 379 HG11 VAL 46 HG11 VAL 46 0.046 12.159 0.695 380 HG12 VAL 46 HG12 VAL 46 1.358 11.047 1.116 381 HG13 VAL 46 3HG1 VAL 46 1.271 11.740 -0.504 382 HG21 VAL 46 HG21 VAL 46 1.906 14.038 -0.903 383 HG22 VAL 46 HG22 VAL 46 2.366 15.094 0.432 384 HG23 VAL 46 HG23 VAL 46 0.680 14.619 0.223 385 H ASP 47 H ASP 47 3.902 12.945 3.437 386 HA ASP 47 HA ASP 47 4.620 15.773 3.702 387 HB2 ASP 47 HB2 ASP 47 5.423 13.467 5.511 388 HB3 ASP 47 HB1 ASP 47 6.122 15.075 5.580 Start of MODEL 17 1 H2 PRO 1 HT1 PRO 1 5.619 17.156 3.097 2 H3 PRO 1 HT2 PRO 1 6.829 18.021 3.712 3 HA PRO 1 HA PRO 1 8.059 16.356 4.022 4 HB2 PRO 1 HB2 PRO 1 6.425 14.146 4.619 5 HB3 PRO 1 HB1 PRO 1 7.418 15.067 5.755 6 HG2 PRO 1 HG2 PRO 1 4.518 15.285 5.200 7 HG3 PRO 1 HG1 PRO 1 5.410 15.651 6.680 8 HD2 PRO 1 HD2 PRO 1 4.441 17.611 5.077 9 HD3 PRO 1 HD1 PRO 1 5.957 17.802 5.977 10 H ARG 2 H ARG 2 8.666 14.636 2.586 11 HA ARG 2 HA ARG 2 6.713 13.959 0.595 12 HB2 ARG 2 HB2 ARG 2 8.404 14.499 -1.242 13 HB3 ARG 2 HB1 ARG 2 7.570 15.846 -0.501 14 HG2 ARG 2 HG2 ARG 2 9.840 16.483 -0.855 15 HG3 ARG 2 HG1 ARG 2 9.625 16.252 0.875 16 HD2 ARG 2 HD2 ARG 2 11.748 15.321 0.071 17 HD3 ARG 2 HD1 ARG 2 10.692 14.067 0.722 18 HE ARG 2 HE ARG 2 10.295 14.342 -2.052 19 HH11 ARG 2 HH11 ARG 2 12.725 13.101 0.188 20 HH12 ARG 2 HH12 ARG 2 13.265 11.883 -0.856 21 HH21 ARG 2 HH21 ARG 2 10.972 12.671 -3.449 22 HH22 ARG 2 HH22 ARG 2 12.207 11.597 -2.998 23 H GLY 3 H GLY 3 7.717 12.399 -1.050 24 HA2 GLY 3 HA2 GLY 3 9.851 10.798 -0.682 25 HA3 GLY 3 HA1 GLY 3 8.630 10.152 0.425 26 H SER 4 H SER 4 9.326 8.519 -1.651 27 HA SER 4 HA SER 4 7.521 9.069 -3.805 28 HB2 SER 4 HB2 SER 4 8.439 6.810 -4.631 29 HB3 SER 4 HB1 SER 4 9.553 8.169 -4.569 30 HG SER 4 HG SER 4 10.706 7.101 -3.184 31 HA PRO 5 HA PRO 5 4.092 7.081 -1.704 32 HB2 PRO 5 HB2 PRO 5 3.040 7.023 -4.481 33 HB3 PRO 5 HB1 PRO 5 2.287 7.651 -3.014 34 HG2 PRO 5 HG2 PRO 5 3.257 9.310 -4.845 35 HG3 PRO 5 HG1 PRO 5 3.425 9.626 -3.107 36 HD2 PRO 5 HD2 PRO 5 5.486 8.684 -5.043 37 HD3 PRO 5 HD1 PRO 5 5.627 9.783 -3.659 38 H ARG 6 H ARG 6 5.183 6.067 -4.847 39 HA ARG 6 HA ARG 6 4.118 3.511 -4.936 40 HB2 ARG 6 HB2 ARG 6 5.794 2.908 -6.602 41 HB3 ARG 6 HB1 ARG 6 5.095 4.483 -6.925 42 HG2 ARG 6 HG2 ARG 6 7.109 5.548 -6.029 43 HG3 ARG 6 HG1 ARG 6 7.791 3.959 -5.687 44 HD2 ARG 6 HD2 ARG 6 8.717 4.804 -7.764 45 HD3 ARG 6 HD1 ARG 6 7.690 3.425 -8.088 46 HE ARG 6 HE ARG 6 5.951 5.045 -8.736 47 HH11 ARG 6 HH11 ARG 6 9.347 6.111 -8.830 48 HH12 ARG 6 HH12 ARG 6 9.109 7.177 -10.131 49 HH21 ARG 6 HH21 ARG 6 5.658 6.543 -10.534 50 HH22 ARG 6 HH22 ARG 6 6.996 7.451 -11.089 51 H THR 7 H THR 7 7.175 4.447 -3.372 52 HA THR 7 HA THR 7 7.931 1.721 -2.999 53 HB THR 7 HB THR 7 9.725 2.700 -1.532 54 HG1 THR 7 HG1 THR 7 9.419 5.244 -2.373 55 HG21 THR 7 HG21 THR 7 9.434 3.944 -4.273 56 HG22 THR 7 HG22 THR 7 10.060 2.330 -3.955 57 HG23 THR 7 HG23 THR 7 10.943 3.745 -3.381 58 H GLU 8 H GLU 8 6.385 4.186 -1.057 59 HA GLU 8 HA GLU 8 6.345 2.809 1.419 60 HB2 GLU 8 HB2 GLU 8 4.341 4.789 0.307 61 HB3 GLU 8 HB1 GLU 8 4.491 4.327 1.993 62 HG2 GLU 8 HG2 GLU 8 6.603 5.746 0.389 63 HG3 GLU 8 HG1 GLU 8 5.475 6.521 1.496 64 H TYR 9 H TYR 9 4.097 3.008 -1.304 65 HA TYR 9 HA TYR 9 2.047 1.414 -0.342 66 HB2 TYR 9 HB2 TYR 9 1.547 2.833 -2.084 67 HB3 TYR 9 HB1 TYR 9 3.018 2.467 -2.962 68 HD1 TYR 9 HD1 TYR 9 -0.388 1.354 -2.214 69 HD2 TYR 9 HD2 TYR 9 3.120 0.734 -4.432 70 HE1 TYR 9 HE1 TYR 9 -1.638 -0.175 -3.689 71 HE2 TYR 9 HE2 TYR 9 1.929 -0.823 -5.960 72 HH TYR 9 HH TYR 9 -1.433 -1.071 -6.034 73 H GLU 10 H GLU 10 4.825 0.729 -2.426 74 HA GLU 10 HA GLU 10 4.443 -1.965 -2.906 75 HB2 GLU 10 HB2 GLU 10 6.101 -0.569 -4.034 76 HB3 GLU 10 HB1 GLU 10 7.008 -0.421 -2.543 77 HG2 GLU 10 HG2 GLU 10 7.350 -2.890 -2.602 78 HG3 GLU 10 HG1 GLU 10 6.594 -2.883 -4.200 79 H ALA 11 H ALA 11 6.157 -0.355 -0.249 80 HA ALA 11 HA ALA 11 7.166 -2.626 1.028 81 HB1 ALA 11 HB1 ALA 11 6.386 0.003 2.284 82 HB2 ALA 11 HB2 ALA 11 7.929 -0.348 1.509 83 HB3 ALA 11 HB3 ALA 11 7.469 -1.203 2.981 84 H CYS 12 H CYS 12 4.064 -1.031 1.333 85 HA CYS 12 HA CYS 12 3.165 -2.505 3.574 86 HB2 CYS 12 HB2 CYS 12 2.141 -0.358 2.820 87 HB3 CYS 12 HB1 CYS 12 1.546 -1.180 1.388 88 H ARG 13 H ARG 13 2.985 -3.020 0.082 89 HA ARG 13 HA ARG 13 1.372 -5.353 0.225 90 HB2 ARG 13 HB2 ARG 13 3.238 -4.369 -1.943 91 HB3 ARG 13 HB1 ARG 13 2.209 -5.783 -2.109 92 HG2 ARG 13 HG2 ARG 13 0.229 -4.392 -1.840 93 HG3 ARG 13 HG1 ARG 13 1.250 -2.970 -1.626 94 HD2 ARG 13 HD2 ARG 13 0.377 -3.095 -3.904 95 HD3 ARG 13 HD1 ARG 13 2.129 -3.246 -3.884 96 HE ARG 13 HE ARG 13 1.386 -5.812 -3.902 97 HH11 ARG 13 HH11 ARG 13 0.140 -3.110 -5.928 98 HH12 ARG 13 HH12 ARG 13 -0.076 -4.111 -7.272 99 HH21 ARG 13 HH21 ARG 13 1.023 -7.109 -5.793 100 HH22 ARG 13 HH22 ARG 13 0.420 -6.410 -7.218 101 H VAL 14 H VAL 14 4.855 -4.800 -0.045 102 HA VAL 14 HA VAL 14 5.703 -7.456 -0.097 103 HB VAL 14 HB VAL 14 7.157 -5.067 1.103 104 HG11 VAL 14 HG11 VAL 14 9.208 -6.359 0.754 105 HG12 VAL 14 HG12 VAL 14 8.241 -7.730 0.205 106 HG13 VAL 14 3HG1 VAL 14 8.113 -7.176 1.872 107 HG21 VAL 14 HG21 VAL 14 8.323 -4.964 -1.048 108 HG22 VAL 14 HG22 VAL 14 6.584 -4.745 -1.246 109 HG23 VAL 14 HG23 VAL 14 7.330 -6.292 -1.648 110 H ARG 15 H ARG 15 4.928 -5.376 2.615 111 HA ARG 15 HA ARG 15 5.656 -6.939 4.798 112 HB2 ARG 15 HB2 ARG 15 4.694 -4.645 4.953 113 HB3 ARG 15 HB1 ARG 15 3.136 -5.286 4.465 114 HG2 ARG 15 HG2 ARG 15 3.271 -6.762 6.532 115 HG3 ARG 15 HG1 ARG 15 4.617 -5.744 7.029 116 HD2 ARG 15 HD2 ARG 15 1.860 -4.730 6.355 117 HD3 ARG 15 HD1 ARG 15 2.440 -5.017 7.988 118 HE ARG 15 HE ARG 15 4.254 -3.322 7.253 119 HH11 ARG 15 HH11 ARG 15 0.822 -3.135 6.330 120 HH12 ARG 15 HH12 ARG 15 0.817 -1.427 6.275 121 HH21 ARG 15 HH21 ARG 15 4.172 -0.988 7.181 122 HH22 ARG 15 HH22 ARG 15 2.711 -0.206 6.750 123 H CYS 16 H CYS 16 2.575 -6.884 3.047 124 HA CYS 16 HA CYS 16 1.523 -9.137 4.379 125 HB2 CYS 16 HB2 CYS 16 0.694 -7.785 1.830 126 HB3 CYS 16 HB1 CYS 16 -0.174 -9.148 2.527 127 H GLN 17 H GLN 17 3.523 -8.850 1.543 128 HA GLN 17 HA GLN 17 2.998 -11.436 0.527 129 HB2 GLN 17 HB2 GLN 17 5.424 -9.675 0.184 130 HB3 GLN 17 HB1 GLN 17 5.152 -11.167 -0.700 131 HG2 GLN 17 HG2 GLN 17 3.127 -10.222 -1.678 132 HG3 GLN 17 HG1 GLN 17 3.407 -8.721 -0.795 133 HE21 GLN 17 1HE2 GLN 17 4.436 -10.737 -3.384 134 HE22 GLN 17 2HE2 GLN 17 5.456 -9.581 -4.168 135 H VAL 18 H VAL 18 5.002 -10.321 3.104 136 HA VAL 18 HA VAL 18 6.234 -12.966 3.285 137 HB VAL 18 HB VAL 18 6.876 -10.468 4.874 138 HG11 VAL 18 HG11 VAL 18 8.347 -13.098 4.676 139 HG12 VAL 18 HG12 VAL 18 7.474 -12.495 6.085 140 HG13 VAL 18 3HG1 VAL 18 8.926 -11.666 5.527 141 HG21 VAL 18 HG21 VAL 18 8.893 -10.343 3.479 142 HG22 VAL 18 HG22 VAL 18 7.416 -10.178 2.528 143 HG23 VAL 18 HG23 VAL 18 8.301 -11.702 2.526 144 H ALA 19 H ALA 19 4.412 -10.661 5.302 145 HA ALA 19 HA ALA 19 4.190 -12.416 7.509 146 HB1 ALA 19 HB1 ALA 19 2.601 -10.820 8.392 147 HB2 ALA 19 HB2 ALA 19 2.486 -10.041 6.812 148 HB3 ALA 19 HB3 ALA 19 4.001 -9.984 7.714 149 H GLU 20 H GLU 20 1.767 -11.427 5.095 150 HA GLU 20 HA GLU 20 -0.047 -13.476 6.001 151 HB2 GLU 20 HB2 GLU 20 -0.195 -11.817 3.465 152 HB3 GLU 20 HB1 GLU 20 -1.500 -12.740 4.185 153 HG2 GLU 20 HG2 GLU 20 -0.206 -10.281 5.351 154 HG3 GLU 20 HG1 GLU 20 -1.778 -10.354 4.567 155 H HIS 21 H HIS 21 1.772 -12.784 3.078 156 HA HIS 21 HA HIS 21 2.854 -13.950 1.550 157 HB2 HIS 21 HB2 HIS 21 3.932 -15.213 3.332 158 HB3 HIS 21 HB1 HIS 21 2.575 -16.324 3.407 159 HD1 HIS 21 HD1 HIS 21 2.679 -18.346 1.851 160 HD2 HIS 21 HD2 HIS 21 5.526 -15.456 0.957 161 HE1 HIS 21 HE1 HIS 21 4.179 -19.363 0.108 162 H GLY 22 H GLY 22 -0.022 -15.611 2.635 163 HA2 GLY 22 HA2 GLY 22 -0.587 -17.082 0.339 164 HA3 GLY 22 HA1 GLY 22 -1.789 -16.469 1.464 165 H VAL 23 H VAL 23 -1.413 -16.657 -1.573 166 HA VAL 23 HA VAL 23 -1.191 -14.178 -2.771 167 HB VAL 23 HB VAL 23 -2.815 -16.571 -3.677 168 HG11 VAL 23 HG11 VAL 23 -3.515 -14.543 -4.868 169 HG12 VAL 23 HG12 VAL 23 -2.642 -15.648 -5.932 170 HG13 VAL 23 3HG1 VAL 23 -1.831 -14.219 -5.286 171 HG21 VAL 23 HG21 VAL 23 -0.026 -15.678 -4.356 172 HG22 VAL 23 HG22 VAL 23 -0.872 -17.069 -5.039 173 HG23 VAL 23 HG23 VAL 23 -0.453 -17.043 -3.323 174 H GLU 24 H GLU 24 -4.092 -15.728 -1.492 175 HA GLU 24 HA GLU 24 -5.983 -13.886 -2.404 176 HB2 GLU 24 HB2 GLU 24 -6.007 -15.503 0.148 177 HB3 GLU 24 HB1 GLU 24 -7.384 -14.612 -0.470 178 HG2 GLU 24 HG2 GLU 24 -7.381 -16.008 -2.473 179 HG3 GLU 24 HG1 GLU 24 -5.992 -16.895 -1.844 180 H ARG 25 H ARG 25 -4.227 -13.921 0.662 181 HA ARG 25 HA ARG 25 -5.327 -11.435 1.483 182 HB2 ARG 25 HB2 ARG 25 -3.135 -13.150 2.604 183 HB3 ARG 25 HB1 ARG 25 -3.556 -11.594 3.309 184 HG2 ARG 25 HG2 ARG 25 -5.817 -12.349 3.713 185 HG3 ARG 25 HG1 ARG 25 -5.477 -13.887 2.935 186 HD2 ARG 25 HD2 ARG 25 -4.045 -12.861 5.377 187 HD3 ARG 25 HD1 ARG 25 -5.442 -13.933 5.432 188 HE ARG 25 HE ARG 25 -3.839 -15.339 3.896 189 HH11 ARG 25 HH11 ARG 25 -2.818 -13.450 6.708 190 HH12 ARG 25 HH12 ARG 25 -1.810 -14.679 7.347 191 HH21 ARG 25 HH21 ARG 25 -2.401 -17.008 4.772 192 HH22 ARG 25 HH22 ARG 25 -1.545 -16.696 6.207 193 H GLN 26 H GLN 26 -2.500 -12.353 -0.264 194 HA GLN 26 HA GLN 26 -1.087 -9.920 -0.132 195 HB2 GLN 26 HB2 GLN 26 -0.117 -11.949 -1.108 196 HB3 GLN 26 HB1 GLN 26 -1.300 -11.886 -2.410 197 HG2 GLN 26 HG2 GLN 26 -0.360 -9.691 -3.080 198 HG3 GLN 26 HG1 GLN 26 0.896 -9.907 -1.869 199 HE21 GLN 26 1HE2 GLN 26 -0.430 -12.468 -3.859 200 HE22 GLN 26 2HE2 GLN 26 1.020 -12.748 -4.744 201 H ARG 27 H ARG 27 -3.479 -11.112 -2.470 202 HA ARG 27 HA ARG 27 -3.656 -8.747 -3.992 203 HB2 ARG 27 HB2 ARG 27 -4.468 -10.916 -4.819 204 HB3 ARG 27 HB1 ARG 27 -5.734 -10.914 -3.598 205 HG2 ARG 27 HG2 ARG 27 -6.722 -8.932 -4.611 206 HG3 ARG 27 HG1 ARG 27 -5.451 -8.909 -5.829 207 HD2 ARG 27 HD2 ARG 27 -6.186 -11.126 -6.597 208 HD3 ARG 27 HD1 ARG 27 -7.483 -11.090 -5.402 209 HE ARG 27 HE ARG 27 -7.655 -8.772 -6.919 210 HH11 ARG 27 HH11 ARG 27 -8.157 -12.246 -7.361 211 HH12 ARG 27 HH12 ARG 27 -9.238 -12.057 -8.654 212 HH21 ARG 27 HH21 ARG 27 -9.110 -8.534 -8.672 213 HH22 ARG 27 HH22 ARG 27 -9.800 -9.907 -9.409 214 H ARG 28 H ARG 28 -5.290 -9.857 -1.137 215 HA ARG 28 HA ARG 28 -7.275 -7.897 -0.899 216 HB2 ARG 28 HB2 ARG 28 -7.023 -9.972 0.489 217 HB3 ARG 28 HB1 ARG 28 -5.683 -9.192 1.307 218 HG2 ARG 28 HG2 ARG 28 -7.205 -7.415 2.061 219 HG3 ARG 28 HG1 ARG 28 -8.534 -8.290 1.291 220 HD2 ARG 28 HD2 ARG 28 -8.017 -10.237 2.696 221 HD3 ARG 28 HD1 ARG 28 -6.795 -9.274 3.525 222 HE ARG 28 HE ARG 28 -9.435 -8.139 3.456 223 HH11 ARG 28 HH11 ARG 28 -7.081 -10.035 5.312 224 HH12 ARG 28 HH12 ARG 28 -7.939 -9.929 6.761 225 HH21 ARG 28 HH21 ARG 28 -10.594 -7.972 5.470 226 HH22 ARG 28 HH22 ARG 28 -9.991 -8.746 6.852 227 H CYS 29 H CYS 29 -3.974 -8.069 0.437 228 HA CYS 29 HA CYS 29 -3.963 -5.536 1.548 229 HB2 CYS 29 HB2 CYS 29 -1.766 -7.390 0.745 230 HB3 CYS 29 HB1 CYS 29 -1.446 -5.807 1.443 231 H GLN 30 H GLN 30 -3.408 -6.544 -1.729 232 HA GLN 30 HA GLN 30 -1.996 -4.331 -2.664 233 HB2 GLN 30 HB2 GLN 30 -2.448 -6.259 -4.109 234 HB3 GLN 30 HB1 GLN 30 -4.167 -5.896 -4.088 235 HG2 GLN 30 HG2 GLN 30 -3.697 -3.747 -5.216 236 HG3 GLN 30 HG1 GLN 30 -1.997 -4.190 -5.298 237 HE21 GLN 30 1HE2 GLN 30 -2.620 -7.026 -5.885 238 HE22 GLN 30 2HE2 GLN 30 -3.152 -7.027 -7.518 239 H GLN 31 H GLN 31 -5.484 -4.794 -2.276 240 HA GLN 31 HA GLN 31 -5.988 -2.101 -3.103 241 HB2 GLN 31 HB2 GLN 31 -7.597 -3.869 -3.623 242 HB3 GLN 31 HB1 GLN 31 -7.883 -4.121 -1.909 243 HG2 GLN 31 HG2 GLN 31 -9.665 -2.796 -3.003 244 HG3 GLN 31 HG1 GLN 31 -8.871 -1.934 -1.689 245 HE21 GLN 31 1HE2 GLN 31 -7.415 -2.340 -4.865 246 HE22 GLN 31 2HE2 GLN 31 -7.474 -0.667 -5.269 247 H VAL 32 H VAL 32 -5.868 -3.816 -0.029 248 HA VAL 32 HA VAL 32 -6.816 -1.722 1.591 249 HB VAL 32 HB VAL 32 -4.737 -3.825 2.319 250 HG11 VAL 32 HG11 VAL 32 -5.345 -3.387 4.659 251 HG12 VAL 32 HG12 VAL 32 -6.390 -2.068 4.136 252 HG13 VAL 32 3HG1 VAL 32 -4.651 -1.962 3.886 253 HG21 VAL 32 HG21 VAL 32 -7.724 -3.785 2.763 254 HG22 VAL 32 HG22 VAL 32 -6.618 -5.019 3.359 255 HG23 VAL 32 HG23 VAL 32 -6.854 -4.813 1.625 256 H CYS 33 H CYS 33 -3.497 -2.517 0.635 257 HA CYS 33 HA CYS 33 -2.368 -0.265 1.905 258 HB2 CYS 33 HB2 CYS 33 -1.262 -2.036 -0.269 259 HB3 CYS 33 HB1 CYS 33 -0.335 -0.837 0.631 260 H GLU 34 H GLU 34 -3.752 -0.803 -1.277 261 HA GLU 34 HA GLU 34 -2.706 1.545 -2.453 262 HB2 GLU 34 HB2 GLU 34 -3.715 -0.342 -3.763 263 HB3 GLU 34 HB1 GLU 34 -5.280 0.104 -3.114 264 HG2 GLU 34 HG2 GLU 34 -5.151 2.264 -4.199 265 HG3 GLU 34 HG1 GLU 34 -3.553 1.868 -4.821 266 H LYS 35 H LYS 35 -5.714 0.771 -0.780 267 HA LYS 35 HA LYS 35 -6.832 3.336 -0.963 268 HB2 LYS 35 HB2 LYS 35 -8.136 1.338 -0.382 269 HB3 LYS 35 HB1 LYS 35 -7.284 1.221 1.149 270 HG2 LYS 35 HG2 LYS 35 -8.237 3.309 1.898 271 HG3 LYS 35 HG1 LYS 35 -8.994 3.559 0.332 272 HD2 LYS 35 HD2 LYS 35 -9.601 1.239 2.166 273 HD3 LYS 35 HD1 LYS 35 -10.563 2.712 2.069 274 HE2 LYS 35 HE2 LYS 35 -10.076 0.730 -0.163 275 HE3 LYS 35 HE1 LYS 35 -11.574 0.968 0.727 276 HZ1 LYS 35 HZ1 LYS 35 -11.670 3.255 -0.180 277 HZ2 LYS 35 HZ2 LYS 35 -11.689 2.089 -1.370 278 HZ3 LYS 35 HZ3 LYS 35 -10.285 2.944 -1.087 279 H ARG 36 H ARG 36 -4.774 1.846 1.474 280 HA ARG 36 HA ARG 36 -4.652 4.005 3.279 281 HB2 ARG 36 HB2 ARG 36 -2.545 1.945 2.601 282 HB3 ARG 36 HB1 ARG 36 -2.389 3.103 3.906 283 HG2 ARG 36 HG2 ARG 36 -4.521 0.983 3.693 284 HG3 ARG 36 HG1 ARG 36 -3.073 0.889 4.692 285 HD2 ARG 36 HD2 ARG 36 -5.306 2.901 4.953 286 HD3 ARG 36 HD1 ARG 36 -4.981 1.548 6.033 287 HE ARG 36 HE ARG 36 -2.697 3.170 5.863 288 HH11 ARG 36 HH11 ARG 36 -5.941 3.227 7.241 289 HH12 ARG 36 HH12 ARG 36 -5.543 4.308 8.495 290 HH21 ARG 36 HH21 ARG 36 -2.143 4.652 7.551 291 HH22 ARG 36 HH22 ARG 36 -3.317 5.130 8.695 292 H LEU 37 H LEU 37 -2.893 3.343 0.324 293 HA LEU 37 HA LEU 37 -1.092 5.510 0.546 294 HB2 LEU 37 HB2 LEU 37 -0.814 3.408 -0.854 295 HB3 LEU 37 HB1 LEU 37 -1.995 4.057 -1.957 296 HG LEU 37 HG LEU 37 0.364 4.249 -2.745 297 HD11 LEU 37 HD11 LEU 37 -1.272 5.721 -3.675 298 HD12 LEU 37 HD12 LEU 37 0.287 6.531 -3.516 299 HD13 LEU 37 HD13 LEU 37 -1.013 6.880 -2.370 300 HD21 LEU 37 HD21 LEU 37 1.844 5.893 -1.747 301 HD22 LEU 37 HD22 LEU 37 1.417 4.640 -0.580 302 HD23 LEU 37 HD23 LEU 37 0.652 6.228 -0.491 303 H ARG 38 H ARG 38 -4.218 5.035 -1.056 304 HA ARG 38 HA ARG 38 -4.400 7.534 -2.329 305 HB2 ARG 38 HB2 ARG 38 -6.644 5.831 -1.267 306 HB3 ARG 38 HB1 ARG 38 -6.836 7.177 -2.378 307 HG2 ARG 38 HG2 ARG 38 -5.423 4.575 -2.896 308 HG3 ARG 38 HG1 ARG 38 -6.957 5.115 -3.578 309 HD2 ARG 38 HD2 ARG 38 -5.777 6.964 -4.705 310 HD3 ARG 38 HD1 ARG 38 -4.251 6.367 -4.051 311 HE ARG 38 HE ARG 38 -5.797 4.461 -5.503 312 HH11 ARG 38 HH11 ARG 38 -3.168 6.885 -5.718 313 HH12 ARG 38 HH12 ARG 38 -2.557 6.261 -7.177 314 HH21 ARG 38 HH21 ARG 38 -4.881 3.618 -7.529 315 HH22 ARG 38 HH22 ARG 38 -3.529 4.395 -8.210 316 H GLU 39 H GLU 39 -5.275 6.549 0.904 317 HA GLU 39 HA GLU 39 -6.427 9.044 1.618 318 HB2 GLU 39 HB2 GLU 39 -5.231 6.910 3.357 319 HB3 GLU 39 HB1 GLU 39 -6.238 8.233 3.933 320 HG2 GLU 39 HG2 GLU 39 -7.077 5.984 2.104 321 HG3 GLU 39 HG1 GLU 39 -7.546 6.213 3.788 322 H ARG 40 H ARG 40 -3.231 7.705 1.752 323 HA ARG 40 HA ARG 40 -2.071 9.779 3.284 324 HB2 ARG 40 HB2 ARG 40 -0.995 7.612 3.135 325 HB3 ARG 40 HB1 ARG 40 -0.829 7.784 1.395 326 HG2 ARG 40 HG2 ARG 40 0.691 9.608 1.672 327 HG3 ARG 40 HG1 ARG 40 0.501 9.555 3.426 328 HD2 ARG 40 HD2 ARG 40 1.470 7.333 3.479 329 HD3 ARG 40 HD1 ARG 40 1.588 7.319 1.719 330 HE ARG 40 HE ARG 40 2.955 9.481 2.267 331 HH11 ARG 40 HH11 ARG 40 3.100 6.383 3.972 332 HH12 ARG 40 HH12 ARG 40 4.787 6.408 4.194 333 HH21 ARG 40 HH21 ARG 40 5.286 9.574 2.645 334 HH22 ARG 40 HH22 ARG 40 6.050 8.331 3.481 335 H GLU 41 H GLU 41 -2.174 9.149 -0.230 336 HA GLU 41 HA GLU 41 -0.795 11.528 -0.872 337 HB2 GLU 41 HB2 GLU 41 -1.575 11.185 -3.208 338 HB3 GLU 41 HB1 GLU 41 -0.828 9.751 -2.527 339 HG2 GLU 41 HG2 GLU 41 -2.889 8.699 -2.239 340 HG3 GLU 41 HG1 GLU 41 -3.798 10.169 -2.584 341 H GLY 42 H GLY 42 -4.216 10.772 -0.462 342 HA2 GLY 42 HA2 GLY 42 -5.198 13.226 -1.485 343 HA3 GLY 42 HA1 GLY 42 -6.061 12.134 -0.407 344 H ARG 43 H ARG 43 -3.983 12.256 1.594 345 HA ARG 43 HA ARG 43 -4.864 14.511 3.079 346 HB2 ARG 43 HB2 ARG 43 -4.238 12.390 4.125 347 HB3 ARG 43 HB1 ARG 43 -2.595 12.571 3.554 348 HG2 ARG 43 HG2 ARG 43 -2.353 14.566 4.997 349 HG3 ARG 43 HG1 ARG 43 -3.990 14.289 5.601 350 HD2 ARG 43 HD2 ARG 43 -1.699 12.335 5.797 351 HD3 ARG 43 HD1 ARG 43 -2.270 13.364 7.109 352 HE ARG 43 HE ARG 43 -4.496 12.084 6.526 353 HH11 ARG 43 HH11 ARG 43 -1.241 10.690 6.758 354 HH12 ARG 43 HH12 ARG 43 -1.775 9.197 7.336 355 HH21 ARG 43 HH21 ARG 43 -5.224 10.058 7.303 356 HH22 ARG 43 HH22 ARG 43 -4.121 8.806 7.651 357 H ARG 44 H ARG 44 -2.158 13.881 1.003 358 HA ARG 44 HA ARG 44 -0.781 16.313 1.849 359 HB2 ARG 44 HB2 ARG 44 0.583 14.288 1.487 360 HB3 ARG 44 HB1 ARG 44 0.027 14.211 -0.178 361 HG2 ARG 44 HG2 ARG 44 1.131 16.298 -0.675 362 HG3 ARG 44 HG1 ARG 44 1.631 16.463 1.005 363 HD2 ARG 44 HD2 ARG 44 2.974 14.434 0.805 364 HD3 ARG 44 HD1 ARG 44 2.467 14.241 -0.869 365 HE ARG 44 HE ARG 44 3.737 16.731 -0.112 366 HH11 ARG 44 HH11 ARG 44 4.150 13.586 -1.704 367 HH12 ARG 44 HH12 ARG 44 5.541 14.053 -2.566 368 HH21 ARG 44 HH21 ARG 44 5.626 17.363 -1.289 369 HH22 ARG 44 HH22 ARG 44 6.367 16.259 -2.350 370 H GLU 45 H GLU 45 -1.926 14.852 -1.167 371 HA GLU 45 HA GLU 45 -2.017 17.458 -2.431 372 HB2 GLU 45 HB2 GLU 45 -0.831 15.724 -3.669 373 HB3 GLU 45 HB1 GLU 45 -2.198 14.636 -3.523 374 HG2 GLU 45 HG2 GLU 45 -3.521 16.058 -4.976 375 HG3 GLU 45 HG1 GLU 45 -2.205 17.227 -5.063 376 H VAL 46 H VAL 46 -3.864 18.395 -1.867 377 HA VAL 46 HA VAL 46 -6.290 16.859 -1.574 378 HB VAL 46 HB VAL 46 -7.374 18.987 -0.953 379 HG11 VAL 46 HG11 VAL 46 -6.269 17.723 0.787 380 HG12 VAL 46 HG12 VAL 46 -6.089 19.452 1.091 381 HG13 VAL 46 3HG1 VAL 46 -4.742 18.526 0.431 382 HG21 VAL 46 HG21 VAL 46 -6.090 21.053 -0.760 383 HG22 VAL 46 HG22 VAL 46 -6.115 20.496 -2.436 384 HG23 VAL 46 HG23 VAL 46 -4.676 20.255 -1.444 385 H ASP 47 H ASP 47 -8.225 17.302 -2.787 386 HA ASP 47 HA ASP 47 -7.662 18.322 -5.476 387 HB2 ASP 47 HB2 ASP 47 -7.840 15.847 -5.461 388 HB3 ASP 47 HB1 ASP 47 -9.448 15.993 -4.754 Start of MODEL 18 1 H2 PRO 1 HT1 PRO 1 5.065 13.993 2.903 2 H3 PRO 1 HT2 PRO 1 3.965 14.851 3.743 3 HA PRO 1 HA PRO 1 3.698 13.349 5.184 4 HB2 PRO 1 HB2 PRO 1 4.187 10.880 3.911 5 HB3 PRO 1 HB1 PRO 1 2.621 11.500 4.451 6 HG2 PRO 1 HG2 PRO 1 3.837 11.533 1.752 7 HG3 PRO 1 HG1 PRO 1 2.129 11.571 2.210 8 HD2 PRO 1 HD2 PRO 1 3.393 13.749 1.252 9 HD3 PRO 1 HD1 PRO 1 2.117 13.869 2.468 10 H ARG 2 H ARG 2 5.197 11.468 6.037 11 HA ARG 2 HA ARG 2 7.859 12.446 5.908 12 HB2 ARG 2 HB2 ARG 2 6.936 11.503 7.958 13 HB3 ARG 2 HB1 ARG 2 6.698 9.956 7.171 14 HG2 ARG 2 HG2 ARG 2 9.131 9.741 6.903 15 HG3 ARG 2 HG1 ARG 2 9.338 11.272 7.754 16 HD2 ARG 2 HD2 ARG 2 8.298 10.348 9.735 17 HD3 ARG 2 HD1 ARG 2 7.981 8.833 8.890 18 HE ARG 2 HE ARG 2 10.724 9.583 8.883 19 HH11 ARG 2 HH11 ARG 2 8.248 8.106 10.899 20 HH12 ARG 2 HH12 ARG 2 9.306 7.081 11.745 21 HH21 ARG 2 HH21 ARG 2 12.222 8.163 10.035 22 HH22 ARG 2 HH22 ARG 2 11.637 7.099 11.218 23 H GLY 3 H GLY 3 9.292 11.990 4.411 24 HA2 GLY 3 HA2 GLY 3 10.604 10.699 3.026 25 HA3 GLY 3 HA1 GLY 3 9.519 9.339 3.300 26 H SER 4 H SER 4 7.402 9.477 2.321 27 HA SER 4 HA SER 4 6.734 11.176 0.205 28 HB2 SER 4 HB2 SER 4 7.133 9.569 -1.662 29 HB3 SER 4 HB1 SER 4 8.643 10.137 -0.951 30 HG SER 4 HG SER 4 8.910 8.208 0.064 31 HA PRO 5 HA PRO 5 3.003 8.649 0.885 32 HB2 PRO 5 HB2 PRO 5 2.572 8.623 -2.060 33 HB3 PRO 5 HB1 PRO 5 1.487 9.188 -0.786 34 HG2 PRO 5 HG2 PRO 5 2.707 10.955 -2.344 35 HG3 PRO 5 HG1 PRO 5 2.561 11.229 -0.595 36 HD2 PRO 5 HD2 PRO 5 4.933 10.265 -2.143 37 HD3 PRO 5 HD1 PRO 5 4.849 11.490 -0.859 38 H ARG 6 H ARG 6 5.107 7.950 -1.755 39 HA ARG 6 HA ARG 6 4.423 5.341 -2.434 40 HB2 ARG 6 HB2 ARG 6 5.905 6.677 -3.814 41 HB3 ARG 6 HB1 ARG 6 7.137 6.650 -2.565 42 HG2 ARG 6 HG2 ARG 6 7.730 5.117 -4.325 43 HG3 ARG 6 HG1 ARG 6 7.350 4.208 -2.867 44 HD2 ARG 6 HD2 ARG 6 5.119 3.717 -3.758 45 HD3 ARG 6 HD1 ARG 6 5.496 4.635 -5.216 46 HE ARG 6 HE ARG 6 7.354 2.497 -4.645 47 HH11 ARG 6 HH11 ARG 6 4.260 3.236 -6.249 48 HH12 ARG 6 HH12 ARG 6 4.417 1.990 -7.388 49 HH21 ARG 6 HH21 ARG 6 7.527 0.823 -6.171 50 HH22 ARG 6 HH22 ARG 6 6.318 0.571 -7.354 51 H THR 7 H THR 7 6.698 6.407 0.098 52 HA THR 7 HA THR 7 7.837 3.920 0.568 53 HB THR 7 HB THR 7 8.847 5.971 1.488 54 HG1 THR 7 HG1 THR 7 9.734 4.889 3.014 55 HG21 THR 7 HG21 THR 7 8.002 6.972 3.565 56 HG22 THR 7 HG22 THR 7 6.600 5.901 3.505 57 HG23 THR 7 HG23 THR 7 6.830 7.125 2.256 58 H GLU 8 H GLU 8 4.814 5.182 1.822 59 HA GLU 8 HA GLU 8 4.421 3.191 3.810 60 HB2 GLU 8 HB2 GLU 8 3.226 5.350 3.798 61 HB3 GLU 8 HB1 GLU 8 2.400 4.878 2.321 62 HG2 GLU 8 HG2 GLU 8 1.449 2.933 3.583 63 HG3 GLU 8 HG1 GLU 8 2.126 3.638 5.044 64 H TYR 9 H TYR 9 3.133 3.671 0.527 65 HA TYR 9 HA TYR 9 1.530 1.432 0.431 66 HB2 TYR 9 HB2 TYR 9 1.024 3.189 -0.951 67 HB3 TYR 9 HB1 TYR 9 2.685 3.407 -1.462 68 HD1 TYR 9 HD1 TYR 9 3.459 2.453 -3.298 69 HD2 TYR 9 HD2 TYR 9 -0.259 1.230 -1.820 70 HE1 TYR 9 HE1 TYR 9 3.085 1.217 -5.407 71 HE2 TYR 9 HE2 TYR 9 -0.717 -0.030 -3.892 72 HH TYR 9 HH TYR 9 -0.032 -0.006 -6.172 73 H GLU 10 H GLU 10 4.767 2.026 -0.869 74 HA GLU 10 HA GLU 10 5.089 -0.424 -2.159 75 HB2 GLU 10 HB2 GLU 10 6.433 1.651 -2.487 76 HB3 GLU 10 HB1 GLU 10 7.222 1.332 -0.955 77 HG2 GLU 10 HG2 GLU 10 8.171 -0.700 -1.832 78 HG3 GLU 10 HG1 GLU 10 7.304 -0.469 -3.353 79 H ALA 11 H ALA 11 6.100 0.600 1.117 80 HA ALA 11 HA ALA 11 7.280 -1.863 1.829 81 HB1 ALA 11 HB1 ALA 11 6.089 0.248 3.628 82 HB2 ALA 11 HB2 ALA 11 7.757 0.206 3.051 83 HB3 ALA 11 HB3 ALA 11 7.168 -1.052 4.134 84 H CYS 12 H CYS 12 4.038 -0.572 2.158 85 HA CYS 12 HA CYS 12 2.872 -2.507 3.760 86 HB2 CYS 12 HB2 CYS 12 1.825 -0.356 3.107 87 HB3 CYS 12 HB1 CYS 12 1.629 -0.963 1.475 88 H ARG 13 H ARG 13 3.390 -2.486 0.238 89 HA ARG 13 HA ARG 13 1.908 -4.835 -0.299 90 HB2 ARG 13 HB2 ARG 13 4.242 -3.739 -1.888 91 HB3 ARG 13 HB1 ARG 13 3.107 -4.953 -2.450 92 HG2 ARG 13 HG2 ARG 13 1.299 -3.222 -2.171 93 HG3 ARG 13 HG1 ARG 13 2.586 -2.047 -1.906 94 HD2 ARG 13 HD2 ARG 13 2.158 -3.734 -4.373 95 HD3 ARG 13 HD1 ARG 13 1.884 -2.004 -4.227 96 HE ARG 13 HE ARG 13 4.599 -2.776 -3.656 97 HH11 ARG 13 HH11 ARG 13 2.351 -1.875 -6.244 98 HH12 ARG 13 HH12 ARG 13 3.580 -1.542 -7.376 99 HH21 ARG 13 HH21 ARG 13 6.269 -2.290 -5.227 100 HH22 ARG 13 HH22 ARG 13 5.841 -1.779 -6.797 101 H VAL 14 H VAL 14 5.341 -4.284 0.274 102 HA VAL 14 HA VAL 14 6.126 -7.014 0.031 103 HB VAL 14 HB VAL 14 7.500 -4.798 1.592 104 HG11 VAL 14 HG11 VAL 14 9.551 -6.104 1.279 105 HG12 VAL 14 HG12 VAL 14 8.620 -7.375 0.489 106 HG13 VAL 14 3HG1 VAL 14 8.340 -7.008 2.190 107 HG21 VAL 14 HG21 VAL 14 7.889 -5.654 -1.276 108 HG22 VAL 14 HG22 VAL 14 8.867 -4.462 -0.418 109 HG23 VAL 14 HG23 VAL 14 7.161 -4.144 -0.727 110 H ARG 15 H ARG 15 5.127 -5.034 2.760 111 HA ARG 15 HA ARG 15 5.739 -6.697 4.891 112 HB2 ARG 15 HB2 ARG 15 4.885 -4.373 5.077 113 HB3 ARG 15 HB1 ARG 15 3.290 -4.950 4.621 114 HG2 ARG 15 HG2 ARG 15 3.259 -6.378 6.619 115 HG3 ARG 15 HG1 ARG 15 4.821 -5.722 7.096 116 HD2 ARG 15 HD2 ARG 15 3.769 -3.445 7.051 117 HD3 ARG 15 HD1 ARG 15 2.215 -4.245 6.815 118 HE ARG 15 HE ARG 15 3.923 -4.856 9.103 119 HH11 ARG 15 HH11 ARG 15 0.759 -3.768 7.862 120 HH12 ARG 15 HH12 ARG 15 0.027 -3.763 9.403 121 HH21 ARG 15 HH21 ARG 15 2.854 -4.809 11.226 122 HH22 ARG 15 HH22 ARG 15 1.226 -4.322 11.307 123 H CYS 16 H CYS 16 2.623 -6.521 3.155 124 HA CYS 16 HA CYS 16 1.673 -8.838 4.495 125 HB2 CYS 16 HB2 CYS 16 0.594 -7.182 2.279 126 HB3 CYS 16 HB1 CYS 16 -0.127 -8.748 2.629 127 H GLN 17 H GLN 17 3.556 -8.411 1.673 128 HA GLN 17 HA GLN 17 2.903 -10.847 0.417 129 HB2 GLN 17 HB2 GLN 17 4.116 -8.984 -0.688 130 HB3 GLN 17 HB1 GLN 17 5.493 -9.284 0.357 131 HG2 GLN 17 HG2 GLN 17 5.814 -11.440 -0.616 132 HG3 GLN 17 HG1 GLN 17 4.373 -11.240 -1.624 133 HE21 GLN 17 1HE2 GLN 17 7.651 -10.374 -1.117 134 HE22 GLN 17 2HE2 GLN 17 7.911 -9.585 -2.631 135 H VAL 18 H VAL 18 5.207 -9.912 2.888 136 HA VAL 18 HA VAL 18 6.295 -12.573 3.141 137 HB VAL 18 HB VAL 18 6.713 -10.149 4.917 138 HG11 VAL 18 HG11 VAL 18 8.345 -12.672 4.652 139 HG12 VAL 18 HG12 VAL 18 7.322 -12.240 6.020 140 HG13 VAL 18 3HG1 VAL 18 8.756 -11.280 5.655 141 HG21 VAL 18 HG21 VAL 18 8.797 -9.815 3.689 142 HG22 VAL 18 HG22 VAL 18 7.396 -9.688 2.625 143 HG23 VAL 18 HG23 VAL 18 8.382 -11.153 2.623 144 H ALA 19 H ALA 19 4.026 -10.511 4.875 145 HA ALA 19 HA ALA 19 3.774 -12.277 7.099 146 HB1 ALA 19 HB1 ALA 19 1.921 -10.048 6.304 147 HB2 ALA 19 HB2 ALA 19 3.384 -9.855 7.269 148 HB3 ALA 19 HB3 ALA 19 2.040 -10.817 7.887 149 H GLU 20 H GLU 20 1.497 -11.527 4.448 150 HA GLU 20 HA GLU 20 -0.374 -13.479 5.392 151 HB2 GLU 20 HB2 GLU 20 -0.312 -12.031 2.741 152 HB3 GLU 20 HB1 GLU 20 -1.672 -12.920 3.405 153 HG2 GLU 20 HG2 GLU 20 -0.465 -10.406 4.538 154 HG3 GLU 20 HG1 GLU 20 -1.983 -10.529 3.654 155 H HIS 21 H HIS 21 1.789 -13.222 2.613 156 HA HIS 21 HA HIS 21 2.895 -14.716 1.351 157 HB2 HIS 21 HB2 HIS 21 3.447 -15.897 3.474 158 HB3 HIS 21 HB1 HIS 21 1.967 -16.823 3.329 159 HD1 HIS 21 HD1 HIS 21 5.527 -16.878 2.368 160 HD2 HIS 21 HD2 HIS 21 2.008 -18.716 1.138 161 HE1 HIS 21 HE1 HIS 21 6.218 -18.894 1.035 162 H GLY 22 H GLY 22 -0.250 -16.057 2.287 163 HA2 GLY 22 HA2 GLY 22 -0.660 -17.430 -0.178 164 HA3 GLY 22 HA1 GLY 22 -1.901 -17.062 1.014 165 H VAL 23 H VAL 23 -1.530 -16.758 -2.025 166 HA VAL 23 HA VAL 23 -1.326 -14.077 -2.705 167 HB VAL 23 HB VAL 23 -2.732 -16.287 -4.230 168 HG11 VAL 23 HG11 VAL 23 -1.747 -13.608 -5.216 169 HG12 VAL 23 HG12 VAL 23 -3.431 -14.064 -5.002 170 HG13 VAL 23 3HG1 VAL 23 -2.443 -14.892 -6.209 171 HG21 VAL 23 HG21 VAL 23 -0.376 -16.722 -3.752 172 HG22 VAL 23 HG22 VAL 23 0.057 -15.166 -4.453 173 HG23 VAL 23 HG23 VAL 23 -0.636 -16.429 -5.472 174 H GLU 24 H GLU 24 -4.211 -15.907 -1.880 175 HA GLU 24 HA GLU 24 -6.102 -13.988 -2.650 176 HB2 GLU 24 HB2 GLU 24 -6.194 -16.183 -0.606 177 HB3 GLU 24 HB1 GLU 24 -7.533 -15.065 -0.764 178 HG2 GLU 24 HG2 GLU 24 -7.869 -17.176 -1.993 179 HG3 GLU 24 HG1 GLU 24 -7.931 -15.757 -3.027 180 H ARG 25 H ARG 25 -4.599 -14.419 0.538 181 HA ARG 25 HA ARG 25 -5.876 -12.090 1.571 182 HB2 ARG 25 HB2 ARG 25 -3.679 -13.830 2.626 183 HB3 ARG 25 HB1 ARG 25 -4.225 -12.405 3.488 184 HG2 ARG 25 HG2 ARG 25 -6.503 -13.362 3.524 185 HG3 ARG 25 HG1 ARG 25 -5.864 -14.826 2.778 186 HD2 ARG 25 HD2 ARG 25 -4.943 -13.657 5.393 187 HD3 ARG 25 HD1 ARG 25 -6.079 -14.989 5.229 188 HE ARG 25 HE ARG 25 -4.194 -16.164 4.053 189 HH11 ARG 25 HH11 ARG 25 -3.357 -13.537 6.255 190 HH12 ARG 25 HH12 ARG 25 -2.100 -14.374 7.027 191 HH21 ARG 25 HH21 ARG 25 -2.378 -17.320 5.085 192 HH22 ARG 25 HH22 ARG 25 -1.519 -16.543 6.337 193 H GLN 26 H GLN 26 -2.802 -12.729 0.072 194 HA GLN 26 HA GLN 26 -1.606 -10.258 0.731 195 HB2 GLN 26 HB2 GLN 26 -0.338 -12.226 -0.041 196 HB3 GLN 26 HB1 GLN 26 -1.102 -12.093 -1.616 197 HG2 GLN 26 HG2 GLN 26 -0.061 -9.934 -1.949 198 HG3 GLN 26 HG1 GLN 26 0.701 -10.051 -0.362 199 HE21 GLN 26 1HE2 GLN 26 1.855 -9.804 -2.986 200 HE22 GLN 26 2HE2 GLN 26 2.911 -11.161 -3.201 201 H ARG 27 H ARG 27 -3.557 -11.375 -1.993 202 HA ARG 27 HA ARG 27 -3.493 -9.062 -3.559 203 HB2 ARG 27 HB2 ARG 27 -4.342 -11.309 -4.278 204 HB3 ARG 27 HB1 ARG 27 -5.766 -11.052 -3.290 205 HG2 ARG 27 HG2 ARG 27 -6.355 -10.589 -5.549 206 HG3 ARG 27 HG1 ARG 27 -6.274 -9.044 -4.703 207 HD2 ARG 27 HD2 ARG 27 -5.225 -8.845 -6.869 208 HD3 ARG 27 HD1 ARG 27 -3.988 -8.705 -5.619 209 HE ARG 27 HE ARG 27 -4.329 -11.371 -6.626 210 HH11 ARG 27 HH11 ARG 27 -2.670 -8.313 -7.256 211 HH12 ARG 27 HH12 ARG 27 -1.441 -9.001 -8.196 212 HH21 ARG 27 HH21 ARG 27 -2.689 -12.321 -7.939 213 HH22 ARG 27 HH22 ARG 27 -1.431 -11.351 -8.573 214 H ARG 28 H ARG 28 -5.458 -9.990 -0.807 215 HA ARG 28 HA ARG 28 -7.272 -7.799 -0.878 216 HB2 ARG 28 HB2 ARG 28 -6.325 -9.462 1.460 217 HB3 ARG 28 HB1 ARG 28 -7.579 -8.248 1.585 218 HG2 ARG 28 HG2 ARG 28 -8.916 -9.535 -0.053 219 HG3 ARG 28 HG1 ARG 28 -7.659 -10.777 -0.036 220 HD2 ARG 28 HD2 ARG 28 -9.505 -11.356 1.463 221 HD3 ARG 28 HD1 ARG 28 -8.003 -11.114 2.356 222 HE ARG 28 HE ARG 28 -9.449 -8.703 2.264 223 HH11 ARG 28 HH11 ARG 28 -9.588 -11.873 3.887 224 HH12 ARG 28 HH12 ARG 28 -10.462 -11.289 5.218 225 HH21 ARG 28 HH21 ARG 28 -10.641 -7.926 4.107 226 HH22 ARG 28 HH22 ARG 28 -11.062 -8.982 5.360 227 H CYS 29 H CYS 29 -4.285 -8.356 0.923 228 HA CYS 29 HA CYS 29 -4.115 -5.971 2.290 229 HB2 CYS 29 HB2 CYS 29 -2.157 -7.981 1.413 230 HB3 CYS 29 HB1 CYS 29 -1.533 -6.415 1.903 231 H GLN 30 H GLN 30 -2.758 -6.670 -0.940 232 HA GLN 30 HA GLN 30 -1.512 -4.182 -1.146 233 HB2 GLN 30 HB2 GLN 30 -1.264 -4.627 -3.543 234 HB3 GLN 30 HB1 GLN 30 -0.853 -6.023 -2.571 235 HG2 GLN 30 HG2 GLN 30 -3.084 -6.970 -3.083 236 HG3 GLN 30 HG1 GLN 30 -3.368 -5.603 -4.161 237 HE21 GLN 30 1HE2 GLN 30 -2.175 -5.438 -6.070 238 HE22 GLN 30 2HE2 GLN 30 -1.282 -6.747 -6.712 239 H GLN 31 H GLN 31 -4.803 -5.074 -1.741 240 HA GLN 31 HA GLN 31 -5.508 -2.710 -3.155 241 HB2 GLN 31 HB2 GLN 31 -7.209 -4.649 -1.591 242 HB3 GLN 31 HB1 GLN 31 -7.833 -3.363 -2.619 243 HG2 GLN 31 HG2 GLN 31 -6.800 -4.357 -4.549 244 HG3 GLN 31 HG1 GLN 31 -6.085 -5.620 -3.545 245 HE21 GLN 31 1HE2 GLN 31 -7.069 -7.181 -4.666 246 HE22 GLN 31 2HE2 GLN 31 -8.748 -7.566 -4.553 247 H VAL 32 H VAL 32 -5.533 -3.708 0.211 248 HA VAL 32 HA VAL 32 -6.725 -1.370 1.276 249 HB VAL 32 HB VAL 32 -4.688 -3.168 2.637 250 HG11 VAL 32 HG11 VAL 32 -5.046 -1.099 3.840 251 HG12 VAL 32 HG12 VAL 32 -5.775 -2.439 4.729 252 HG13 VAL 32 3HG1 VAL 32 -6.790 -1.344 3.794 253 HG21 VAL 32 HG21 VAL 32 -6.610 -4.408 3.553 254 HG22 VAL 32 HG22 VAL 32 -6.525 -4.519 1.795 255 HG23 VAL 32 HG23 VAL 32 -7.694 -3.440 2.554 256 H CYS 33 H CYS 33 -3.423 -2.341 0.614 257 HA CYS 33 HA CYS 33 -2.060 -0.144 1.636 258 HB2 CYS 33 HB2 CYS 33 -1.318 -1.792 -0.791 259 HB3 CYS 33 HB1 CYS 33 -0.227 -0.738 0.096 260 H GLU 34 H GLU 34 -3.405 -0.597 -1.660 261 HA GLU 34 HA GLU 34 -2.519 2.008 -2.415 262 HB2 GLU 34 HB2 GLU 34 -3.718 1.649 -4.531 263 HB3 GLU 34 HB1 GLU 34 -2.645 0.326 -4.139 264 HG2 GLU 34 HG2 GLU 34 -4.531 -0.972 -3.358 265 HG3 GLU 34 HG1 GLU 34 -5.620 0.352 -3.776 266 H LYS 35 H LYS 35 -5.437 0.698 -1.085 267 HA LYS 35 HA LYS 35 -7.151 2.866 -1.533 268 HB2 LYS 35 HB2 LYS 35 -8.011 0.764 -0.648 269 HB3 LYS 35 HB1 LYS 35 -6.997 0.908 0.773 270 HG2 LYS 35 HG2 LYS 35 -9.296 1.422 1.336 271 HG3 LYS 35 HG1 LYS 35 -8.290 2.854 1.509 272 HD2 LYS 35 HD2 LYS 35 -10.390 3.468 0.479 273 HD3 LYS 35 HD1 LYS 35 -9.098 3.639 -0.704 274 HE2 LYS 35 HE2 LYS 35 -9.721 1.526 -1.727 275 HE3 LYS 35 HE1 LYS 35 -10.944 1.259 -0.488 276 HZ1 LYS 35 HZ1 LYS 35 -12.113 3.202 -1.264 277 HZ2 LYS 35 HZ2 LYS 35 -11.922 2.123 -2.534 278 HZ3 LYS 35 HZ3 LYS 35 -10.954 3.499 -2.444 279 H ARG 36 H ARG 36 -5.029 2.130 1.228 280 HA ARG 36 HA ARG 36 -5.455 4.593 2.564 281 HB2 ARG 36 HB2 ARG 36 -2.992 2.868 2.704 282 HB3 ARG 36 HB1 ARG 36 -3.451 4.105 3.851 283 HG2 ARG 36 HG2 ARG 36 -5.455 2.722 4.398 284 HG3 ARG 36 HG1 ARG 36 -4.759 1.449 3.385 285 HD2 ARG 36 HD2 ARG 36 -3.569 2.693 5.846 286 HD3 ARG 36 HD1 ARG 36 -4.093 1.020 5.651 287 HE ARG 36 HE ARG 36 -2.151 1.484 3.732 288 HH11 ARG 36 HH11 ARG 36 -2.228 1.592 7.269 289 HH12 ARG 36 HH12 ARG 36 -0.605 1.112 7.452 290 HH21 ARG 36 HH21 ARG 36 0.076 0.923 3.982 291 HH22 ARG 36 HH22 ARG 36 0.756 0.700 5.521 292 H LEU 37 H LEU 37 -3.294 3.584 0.049 293 HA LEU 37 HA LEU 37 -1.533 5.778 0.146 294 HB2 LEU 37 HB2 LEU 37 -1.030 3.616 -0.981 295 HB3 LEU 37 HB1 LEU 37 -2.245 3.985 -2.172 296 HG LEU 37 HG LEU 37 0.213 4.251 -2.848 297 HD11 LEU 37 HD11 LEU 37 -0.213 6.202 -4.231 298 HD12 LEU 37 HD12 LEU 37 -1.670 6.541 -3.290 299 HD13 LEU 37 HD13 LEU 37 -1.559 5.061 -4.243 300 HD21 LEU 37 HD21 LEU 37 1.253 6.394 -2.334 301 HD22 LEU 37 HD22 LEU 37 0.980 5.451 -0.869 302 HD23 LEU 37 HD23 LEU 37 -0.089 6.796 -1.266 303 H ARG 38 H ARG 38 -4.524 5.182 -1.665 304 HA ARG 38 HA ARG 38 -4.426 7.617 -3.093 305 HB2 ARG 38 HB2 ARG 38 -5.891 5.719 -3.761 306 HB3 ARG 38 HB1 ARG 38 -6.873 5.994 -2.332 307 HG2 ARG 38 HG2 ARG 38 -7.583 8.135 -3.156 308 HG3 ARG 38 HG1 ARG 38 -6.469 8.027 -4.514 309 HD2 ARG 38 HD2 ARG 38 -7.698 6.122 -5.394 310 HD3 ARG 38 HD1 ARG 38 -8.793 6.171 -4.010 311 HE ARG 38 HE ARG 38 -9.157 8.588 -4.908 312 HH11 ARG 38 HH11 ARG 38 -8.908 5.628 -6.872 313 HH12 ARG 38 HH12 ARG 38 -9.932 6.207 -8.088 314 HH21 ARG 38 HH21 ARG 38 -10.556 9.349 -6.608 315 HH22 ARG 38 HH22 ARG 38 -10.896 8.353 -7.933 316 H GLU 39 H GLU 39 -5.698 6.718 0.041 317 HA GLU 39 HA GLU 39 -6.882 9.186 0.723 318 HB2 GLU 39 HB2 GLU 39 -5.499 7.219 2.562 319 HB3 GLU 39 HB1 GLU 39 -6.622 8.468 3.059 320 HG2 GLU 39 HG2 GLU 39 -8.384 7.321 1.739 321 HG3 GLU 39 HG1 GLU 39 -7.229 6.028 1.416 322 H ARG 40 H ARG 40 -3.671 7.848 1.285 323 HA ARG 40 HA ARG 40 -2.428 9.918 2.627 324 HB2 ARG 40 HB2 ARG 40 -1.464 7.670 2.329 325 HB3 ARG 40 HB1 ARG 40 -1.234 7.994 0.621 326 HG2 ARG 40 HG2 ARG 40 0.860 8.185 1.810 327 HG3 ARG 40 HG1 ARG 40 0.372 9.761 1.185 328 HD2 ARG 40 HD2 ARG 40 1.223 9.961 3.450 329 HD3 ARG 40 HD1 ARG 40 -0.492 10.363 3.395 330 HE ARG 40 HE ARG 40 0.023 7.619 4.054 331 HH11 ARG 40 HH11 ARG 40 -0.332 10.871 5.396 332 HH12 ARG 40 HH12 ARG 40 -0.605 10.317 6.982 333 HH21 ARG 40 HH21 ARG 40 -0.317 6.887 6.145 334 HH22 ARG 40 HH22 ARG 40 -0.589 7.979 7.447 335 H GLU 41 H GLU 41 -2.693 9.378 -0.863 336 HA GLU 41 HA GLU 41 -1.194 11.610 -1.661 337 HB2 GLU 41 HB2 GLU 41 -3.462 10.284 -3.122 338 HB3 GLU 41 HB1 GLU 41 -2.327 11.426 -3.823 339 HG2 GLU 41 HG2 GLU 41 -0.515 9.775 -3.150 340 HG3 GLU 41 HG1 GLU 41 -1.835 8.633 -2.882 341 H GLY 42 H GLY 42 -4.607 11.247 -0.924 342 HA2 GLY 42 HA2 GLY 42 -5.327 13.880 -1.763 343 HA3 GLY 42 HA1 GLY 42 -6.308 12.804 -0.778 344 H ARG 43 H ARG 43 -3.833 12.637 0.991 345 HA ARG 43 HA ARG 43 -4.501 14.898 2.670 346 HB2 ARG 43 HB2 ARG 43 -2.453 12.713 3.111 347 HB3 ARG 43 HB1 ARG 43 -2.987 13.881 4.312 348 HG2 ARG 43 HG2 ARG 43 -5.229 12.954 4.247 349 HG3 ARG 43 HG1 ARG 43 -4.734 11.820 2.993 350 HD2 ARG 43 HD2 ARG 43 -3.039 10.923 4.631 351 HD3 ARG 43 HD1 ARG 43 -3.818 11.946 5.843 352 HE ARG 43 HE ARG 43 -5.756 10.415 4.566 353 HH11 ARG 43 HH11 ARG 43 -3.173 10.087 6.969 354 HH12 ARG 43 HH12 ARG 43 -3.785 8.669 7.680 355 HH21 ARG 43 HH21 ARG 43 -6.629 8.440 5.541 356 HH22 ARG 43 HH22 ARG 43 -5.801 7.697 6.831 357 H ARG 44 H ARG 44 -1.996 13.855 0.518 358 HA ARG 44 HA ARG 44 -0.175 15.965 1.256 359 HB2 ARG 44 HB2 ARG 44 0.625 13.815 0.225 360 HB3 ARG 44 HB1 ARG 44 -0.180 14.276 -1.270 361 HG2 ARG 44 HG2 ARG 44 1.246 16.272 -1.406 362 HG3 ARG 44 HG1 ARG 44 2.076 15.769 0.062 363 HD2 ARG 44 HD2 ARG 44 2.691 13.644 -1.155 364 HD3 ARG 44 HD1 ARG 44 2.064 14.396 -2.624 365 HE ARG 44 HE ARG 44 3.845 16.167 -1.435 366 HH11 ARG 44 HH11 ARG 44 3.961 13.128 -3.264 367 HH12 ARG 44 HH12 ARG 44 5.607 13.265 -3.629 368 HH21 ARG 44 HH21 ARG 44 6.098 16.338 -1.983 369 HH22 ARG 44 HH22 ARG 44 6.845 15.125 -2.916 370 H GLU 45 H GLU 45 -2.356 15.235 -1.398 371 HA GLU 45 HA GLU 45 -2.238 18.005 -2.305 372 HB2 GLU 45 HB2 GLU 45 -1.662 15.989 -3.800 373 HB3 GLU 45 HB1 GLU 45 -3.374 15.613 -3.743 374 HG2 GLU 45 HG2 GLU 45 -2.870 16.790 -5.762 375 HG3 GLU 45 HG1 GLU 45 -3.853 17.814 -4.711 376 H VAL 46 H VAL 46 -3.813 18.886 -0.922 377 HA VAL 46 HA VAL 46 -6.290 17.399 -0.596 378 HB VAL 46 HB VAL 46 -5.145 18.257 1.440 379 HG11 VAL 46 HG11 VAL 46 -5.924 20.989 0.463 380 HG12 VAL 46 HG12 VAL 46 -4.290 20.358 0.618 381 HG13 VAL 46 3HG1 VAL 46 -5.274 20.611 2.060 382 HG21 VAL 46 HG21 VAL 46 -7.508 17.738 1.548 383 HG22 VAL 46 HG22 VAL 46 -7.911 19.362 0.988 384 HG23 VAL 46 HG23 VAL 46 -7.147 19.137 2.562 385 H ASP 47 H ASP 47 -5.121 20.308 -2.098 386 HA ASP 47 HA ASP 47 -7.876 21.014 -2.734 387 HB2 ASP 47 HB2 ASP 47 -7.128 23.278 -3.276 388 HB3 ASP 47 HB1 ASP 47 -6.601 22.848 -1.659 Start of MODEL 19 1 H2 PRO 1 HT1 PRO 1 8.970 14.442 -9.576 2 H3 PRO 1 HT2 PRO 1 9.443 13.737 -10.966 3 HA PRO 1 HA PRO 1 8.575 11.878 -10.489 4 HB2 PRO 1 HB2 PRO 1 8.624 11.602 -7.682 5 HB3 PRO 1 HB1 PRO 1 9.637 10.746 -8.854 6 HG2 PRO 1 HG2 PRO 1 10.249 13.152 -7.242 7 HG3 PRO 1 HG1 PRO 1 11.341 11.909 -7.872 8 HD2 PRO 1 HD2 PRO 1 11.230 14.372 -8.952 9 HD3 PRO 1 HD1 PRO 1 11.509 12.935 -9.956 10 H ARG 2 H ARG 2 6.666 11.167 -8.884 11 HA ARG 2 HA ARG 2 4.974 13.533 -8.698 12 HB2 ARG 2 HB2 ARG 2 3.075 11.984 -8.614 13 HB3 ARG 2 HB1 ARG 2 4.080 11.660 -10.009 14 HG2 ARG 2 HG2 ARG 2 5.109 9.774 -8.786 15 HG3 ARG 2 HG1 ARG 2 3.989 10.074 -7.457 16 HD2 ARG 2 HD2 ARG 2 3.189 9.435 -10.291 17 HD3 ARG 2 HD1 ARG 2 3.246 8.262 -8.973 18 HE ARG 2 HE ARG 2 1.611 9.943 -7.910 19 HH11 ARG 2 HH11 ARG 2 1.689 8.983 -11.317 20 HH12 ARG 2 HH12 ARG 2 0.024 9.216 -11.560 21 HH21 ARG 2 HH21 ARG 2 -0.688 10.218 -8.238 22 HH22 ARG 2 HH22 ARG 2 -1.358 9.941 -9.776 23 H GLY 3 H GLY 3 3.271 13.222 -6.766 24 HA2 GLY 3 HA2 GLY 3 4.867 13.552 -4.426 25 HA3 GLY 3 HA1 GLY 3 3.121 13.678 -4.537 26 H SER 4 H SER 4 3.186 10.883 -5.767 27 HA SER 4 HA SER 4 2.435 9.397 -3.602 28 HB2 SER 4 HB2 SER 4 3.702 8.328 -6.127 29 HB3 SER 4 HB1 SER 4 2.603 7.477 -5.039 30 HG SER 4 HG SER 4 1.167 9.418 -5.535 31 HA PRO 5 HA PRO 5 6.305 8.923 -1.414 32 HB2 PRO 5 HB2 PRO 5 5.362 7.161 0.452 33 HB3 PRO 5 HB1 PRO 5 5.099 8.907 0.515 34 HG2 PRO 5 HG2 PRO 5 3.280 6.741 -0.421 35 HG3 PRO 5 HG1 PRO 5 2.906 8.187 0.533 36 HD2 PRO 5 HD2 PRO 5 2.375 8.006 -2.091 37 HD3 PRO 5 HD1 PRO 5 2.828 9.542 -1.332 38 H ARG 6 H ARG 6 4.591 6.262 -2.804 39 HA ARG 6 HA ARG 6 5.045 4.178 -3.418 40 HB2 ARG 6 HB2 ARG 6 6.890 5.055 -4.729 41 HB3 ARG 6 HB1 ARG 6 7.948 5.028 -3.322 42 HG2 ARG 6 HG2 ARG 6 7.805 2.610 -3.216 43 HG3 ARG 6 HG1 ARG 6 6.680 2.591 -4.558 44 HD2 ARG 6 HD2 ARG 6 8.398 3.426 -6.045 45 HD3 ARG 6 HD1 ARG 6 9.534 3.558 -4.696 46 HE ARG 6 HE ARG 6 9.038 1.058 -4.453 47 HH11 ARG 6 HH11 ARG 6 9.388 2.705 -7.582 48 HH12 ARG 6 HH12 ARG 6 9.829 1.276 -8.405 49 HH21 ARG 6 HH21 ARG 6 9.624 -0.789 -5.545 50 HH22 ARG 6 HH22 ARG 6 10.021 -0.781 -7.216 51 H THR 7 H THR 7 7.452 4.885 -0.917 52 HA THR 7 HA THR 7 7.798 2.332 0.014 53 HB THR 7 HB THR 7 9.288 4.075 0.742 54 HG1 THR 7 HG1 THR 7 8.054 3.333 3.154 55 HG21 THR 7 HG21 THR 7 7.751 5.964 0.876 56 HG22 THR 7 HG22 THR 7 8.637 5.804 2.393 57 HG23 THR 7 HG23 THR 7 6.964 5.252 2.283 58 H GLU 8 H GLU 8 5.266 4.575 1.010 59 HA GLU 8 HA GLU 8 4.086 3.157 3.094 60 HB2 GLU 8 HB2 GLU 8 2.908 4.937 0.981 61 HB3 GLU 8 HB1 GLU 8 1.958 4.276 2.299 62 HG2 GLU 8 HG2 GLU 8 4.385 6.017 2.618 63 HG3 GLU 8 HG1 GLU 8 2.710 6.573 2.712 64 H TYR 9 H TYR 9 3.449 2.979 -0.366 65 HA TYR 9 HA TYR 9 1.325 1.140 -0.183 66 HB2 TYR 9 HB2 TYR 9 1.288 2.760 -1.864 67 HB3 TYR 9 HB1 TYR 9 2.966 2.497 -2.288 68 HD1 TYR 9 HD1 TYR 9 -0.459 1.387 -2.717 69 HD2 TYR 9 HD2 TYR 9 3.581 0.760 -3.657 70 HE1 TYR 9 HE1 TYR 9 -1.157 -0.059 -4.592 71 HE2 TYR 9 HE2 TYR 9 2.973 -0.690 -5.537 72 HH TYR 9 HH TYR 9 -0.168 -0.787 -6.741 73 H GLU 10 H GLU 10 4.652 1.079 -1.321 74 HA GLU 10 HA GLU 10 4.823 -1.562 -2.089 75 HB2 GLU 10 HB2 GLU 10 6.367 0.123 -2.805 76 HB3 GLU 10 HB1 GLU 10 6.917 0.374 -1.162 77 HG2 GLU 10 HG2 GLU 10 7.977 -1.747 -1.117 78 HG3 GLU 10 HG1 GLU 10 7.237 -2.200 -2.655 79 H ALA 11 H ALA 11 5.892 -0.113 1.042 80 HA ALA 11 HA ALA 11 6.794 -2.538 2.133 81 HB1 ALA 11 HB1 ALA 11 7.422 -0.342 3.057 82 HB2 ALA 11 HB2 ALA 11 6.760 -1.408 4.296 83 HB3 ALA 11 HB3 ALA 11 5.766 -0.116 3.621 84 H CYS 12 H CYS 12 3.660 -0.964 2.194 85 HA CYS 12 HA CYS 12 2.294 -2.642 3.927 86 HB2 CYS 12 HB2 CYS 12 1.347 -0.577 3.136 87 HB3 CYS 12 HB1 CYS 12 1.438 -1.109 1.469 88 H ARG 13 H ARG 13 2.789 -2.964 0.409 89 HA ARG 13 HA ARG 13 1.377 -5.394 0.081 90 HB2 ARG 13 HB2 ARG 13 3.555 -4.133 -1.592 91 HB3 ARG 13 HB1 ARG 13 2.708 -5.599 -2.055 92 HG2 ARG 13 HG2 ARG 13 0.606 -4.377 -2.134 93 HG3 ARG 13 HG1 ARG 13 1.430 -2.907 -1.611 94 HD2 ARG 13 HD2 ARG 13 1.070 -2.914 -4.037 95 HD3 ARG 13 HD1 ARG 13 2.782 -2.921 -3.640 96 HE ARG 13 HE ARG 13 2.239 -5.538 -3.965 97 HH11 ARG 13 HH11 ARG 13 1.438 -2.769 -6.121 98 HH12 ARG 13 HH12 ARG 13 1.711 -3.674 -7.513 99 HH21 ARG 13 HH21 ARG 13 2.534 -6.706 -5.955 100 HH22 ARG 13 HH22 ARG 13 2.337 -5.919 -7.448 101 H VAL 14 H VAL 14 4.810 -4.675 0.467 102 HA VAL 14 HA VAL 14 5.791 -7.288 0.341 103 HB VAL 14 HB VAL 14 6.910 -4.897 1.846 104 HG11 VAL 14 HG11 VAL 14 8.282 -7.475 1.078 105 HG12 VAL 14 HG12 VAL 14 7.867 -6.972 2.717 106 HG13 VAL 14 3HG1 VAL 14 9.062 -6.062 1.791 107 HG21 VAL 14 HG21 VAL 14 7.533 -6.029 -0.875 108 HG22 VAL 14 HG22 VAL 14 8.395 -4.702 -0.103 109 HG23 VAL 14 HG23 VAL 14 6.696 -4.513 -0.538 110 H ARG 15 H ARG 15 4.632 -5.416 3.095 111 HA ARG 15 HA ARG 15 5.235 -7.102 5.178 112 HB2 ARG 15 HB2 ARG 15 4.306 -4.863 5.499 113 HB3 ARG 15 HB1 ARG 15 2.793 -5.369 4.789 114 HG2 ARG 15 HG2 ARG 15 2.781 -5.149 7.280 115 HG3 ARG 15 HG1 ARG 15 2.244 -6.709 6.665 116 HD2 ARG 15 HD2 ARG 15 3.748 -6.805 8.656 117 HD3 ARG 15 HD1 ARG 15 4.303 -7.749 7.275 118 HE ARG 15 HE ARG 15 5.436 -5.156 7.287 119 HH11 ARG 15 HH11 ARG 15 5.650 -8.218 9.026 120 HH12 ARG 15 HH12 ARG 15 7.328 -8.135 9.293 121 HH21 ARG 15 HH21 ARG 15 7.722 -4.990 7.663 122 HH22 ARG 15 HH22 ARG 15 8.561 -6.220 8.495 123 H CYS 16 H CYS 16 2.240 -7.116 3.255 124 HA CYS 16 HA CYS 16 1.500 -9.563 4.522 125 HB2 CYS 16 HB2 CYS 16 0.236 -8.050 2.272 126 HB3 CYS 16 HB1 CYS 16 -0.368 -9.618 2.810 127 H GLN 17 H GLN 17 3.248 -8.830 1.647 128 HA GLN 17 HA GLN 17 2.879 -11.323 0.379 129 HB2 GLN 17 HB2 GLN 17 3.677 -9.254 -0.738 130 HB3 GLN 17 HB1 GLN 17 5.184 -9.386 0.149 131 HG2 GLN 17 HG2 GLN 17 5.716 -11.433 -0.976 132 HG3 GLN 17 HG1 GLN 17 4.160 -11.422 -1.806 133 HE21 GLN 17 1HE2 GLN 17 6.800 -11.452 -2.911 134 HE22 GLN 17 2HE2 GLN 17 6.957 -10.058 -3.911 135 H VAL 18 H VAL 18 5.065 -10.199 2.851 136 HA VAL 18 HA VAL 18 6.512 -12.730 2.812 137 HB VAL 18 HB VAL 18 7.030 -10.242 4.473 138 HG11 VAL 18 HG11 VAL 18 7.847 -12.243 5.611 139 HG12 VAL 18 HG12 VAL 18 9.193 -11.272 5.018 140 HG13 VAL 18 3HG1 VAL 18 8.713 -12.733 4.155 141 HG21 VAL 18 HG21 VAL 18 8.960 -9.917 2.985 142 HG22 VAL 18 HG22 VAL 18 7.438 -9.878 2.097 143 HG23 VAL 18 HG23 VAL 18 8.457 -11.315 2.034 144 H ALA 19 H ALA 19 4.605 -10.793 5.168 145 HA ALA 19 HA ALA 19 4.913 -12.793 7.179 146 HB1 ALA 19 HB1 ALA 19 3.518 -11.389 8.575 147 HB2 ALA 19 HB2 ALA 19 3.057 -10.423 7.174 148 HB3 ALA 19 HB3 ALA 19 4.726 -10.410 7.740 149 H GLU 20 H GLU 20 2.238 -11.854 5.067 150 HA GLU 20 HA GLU 20 0.493 -13.853 6.242 151 HB2 GLU 20 HB2 GLU 20 0.144 -12.130 3.774 152 HB3 GLU 20 HB1 GLU 20 -1.094 -13.110 4.541 153 HG2 GLU 20 HG2 GLU 20 0.271 -10.873 5.992 154 HG3 GLU 20 HG1 GLU 20 -1.122 -10.592 4.955 155 H HIS 21 H HIS 21 1.839 -13.128 3.068 156 HA HIS 21 HA HIS 21 2.454 -14.268 1.284 157 HB2 HIS 21 HB2 HIS 21 4.193 -15.122 2.833 158 HB3 HIS 21 HB1 HIS 21 3.159 -16.484 3.230 159 HD1 HIS 21 HD1 HIS 21 3.857 -18.546 2.008 160 HD2 HIS 21 HD2 HIS 21 4.639 -15.106 -0.179 161 HE1 HIS 21 HE1 HIS 21 5.017 -19.313 -0.105 162 H GLY 22 H GLY 22 0.651 -14.430 0.156 163 HA2 GLY 22 HA2 GLY 22 -0.340 -16.853 -0.649 164 HA3 GLY 22 HA1 GLY 22 -1.428 -16.285 0.622 165 H VAL 23 H VAL 23 -2.063 -16.555 -2.195 166 HA VAL 23 HA VAL 23 -1.836 -14.088 -3.544 167 HB VAL 23 HB VAL 23 -3.936 -16.229 -3.990 168 HG11 VAL 23 HG11 VAL 23 -4.118 -15.343 -6.260 169 HG12 VAL 23 HG12 VAL 23 -2.996 -14.047 -5.848 170 HG13 VAL 23 3HG1 VAL 23 -4.566 -14.141 -5.051 171 HG21 VAL 23 HG21 VAL 23 -1.246 -15.871 -5.304 172 HG22 VAL 23 HG22 VAL 23 -2.454 -17.074 -5.748 173 HG23 VAL 23 HG23 VAL 23 -1.684 -17.141 -4.164 174 H GLU 24 H GLU 24 -4.556 -15.465 -1.723 175 HA GLU 24 HA GLU 24 -6.270 -13.270 -2.080 176 HB2 GLU 24 HB2 GLU 24 -7.576 -14.153 -0.180 177 HB3 GLU 24 HB1 GLU 24 -7.167 -15.423 -1.323 178 HG2 GLU 24 HG2 GLU 24 -5.474 -16.256 0.166 179 HG3 GLU 24 HG1 GLU 24 -5.709 -14.893 1.256 180 H ARG 25 H ARG 25 -3.945 -14.038 0.378 181 HA ARG 25 HA ARG 25 -4.500 -11.905 2.142 182 HB2 ARG 25 HB2 ARG 25 -1.977 -13.503 1.721 183 HB3 ARG 25 HB1 ARG 25 -2.223 -12.361 3.031 184 HG2 ARG 25 HG2 ARG 25 -3.941 -14.800 2.576 185 HG3 ARG 25 HG1 ARG 25 -2.553 -14.756 3.660 186 HD2 ARG 25 HD2 ARG 25 -3.625 -12.991 4.967 187 HD3 ARG 25 HD1 ARG 25 -5.013 -13.013 3.881 188 HE ARG 25 HE ARG 25 -5.273 -15.390 4.617 189 HH11 ARG 25 HH11 ARG 25 -3.704 -13.035 6.816 190 HH12 ARG 25 HH12 ARG 25 -4.247 -13.843 8.212 191 HH21 ARG 25 HH21 ARG 25 -6.021 -16.390 6.565 192 HH22 ARG 25 HH22 ARG 25 -5.576 -15.752 8.089 193 H GLN 26 H GLN 26 -2.157 -12.273 -0.489 194 HA GLN 26 HA GLN 26 -0.877 -9.807 -0.197 195 HB2 GLN 26 HB2 GLN 26 0.032 -11.644 -1.556 196 HB3 GLN 26 HB1 GLN 26 -1.276 -11.438 -2.710 197 HG2 GLN 26 HG2 GLN 26 -0.474 -9.167 -3.191 198 HG3 GLN 26 HG1 GLN 26 0.856 -9.411 -2.065 199 HE21 GLN 26 1HE2 GLN 26 2.485 -10.803 -2.624 200 HE22 GLN 26 2HE2 GLN 26 2.792 -11.312 -4.238 201 H ARG 27 H ARG 27 -3.518 -10.784 -2.365 202 HA ARG 27 HA ARG 27 -3.774 -8.201 -3.495 203 HB2 ARG 27 HB2 ARG 27 -5.716 -10.502 -3.517 204 HB3 ARG 27 HB1 ARG 27 -5.910 -9.030 -4.456 205 HG2 ARG 27 HG2 ARG 27 -3.761 -9.529 -5.590 206 HG3 ARG 27 HG1 ARG 27 -3.705 -11.062 -4.716 207 HD2 ARG 27 HD2 ARG 27 -4.613 -11.382 -6.948 208 HD3 ARG 27 HD1 ARG 27 -5.843 -11.708 -5.725 209 HE ARG 27 HE ARG 27 -5.858 -9.012 -6.694 210 HH11 ARG 27 HH11 ARG 27 -7.054 -12.268 -7.361 211 HH12 ARG 27 HH12 ARG 27 -8.402 -11.744 -8.260 212 HH21 ARG 27 HH21 ARG 27 -7.721 -8.300 -7.950 213 HH22 ARG 27 HH22 ARG 27 -8.768 -9.458 -8.626 214 H ARG 28 H ARG 28 -5.289 -9.710 -0.746 215 HA ARG 28 HA ARG 28 -7.362 -7.828 -0.380 216 HB2 ARG 28 HB2 ARG 28 -7.162 -10.076 0.699 217 HB3 ARG 28 HB1 ARG 28 -5.883 -9.426 1.701 218 HG2 ARG 28 HG2 ARG 28 -7.421 -7.929 2.780 219 HG3 ARG 28 HG1 ARG 28 -8.719 -8.421 1.684 220 HD2 ARG 28 HD2 ARG 28 -7.268 -10.186 3.653 221 HD3 ARG 28 HD1 ARG 28 -8.934 -9.616 3.791 222 HE ARG 28 HE ARG 28 -9.081 -10.839 1.485 223 HH11 ARG 28 HH11 ARG 28 -7.534 -11.977 4.475 224 HH12 ARG 28 HH12 ARG 28 -7.697 -13.627 4.096 225 HH21 ARG 28 HH21 ARG 28 -9.268 -13.104 0.960 226 HH22 ARG 28 HH22 ARG 28 -8.637 -14.287 2.027 227 H CYS 29 H CYS 29 -4.120 -8.113 1.075 228 HA CYS 29 HA CYS 29 -4.234 -5.681 2.447 229 HB2 CYS 29 HB2 CYS 29 -1.892 -7.299 1.483 230 HB3 CYS 29 HB1 CYS 29 -1.766 -5.902 2.543 231 H GLN 30 H GLN 30 -2.957 -6.571 -0.759 232 HA GLN 30 HA GLN 30 -1.787 -4.147 -1.436 233 HB2 GLN 30 HB2 GLN 30 -1.521 -6.231 -2.742 234 HB3 GLN 30 HB1 GLN 30 -3.188 -6.088 -3.281 235 HG2 GLN 30 HG2 GLN 30 -2.641 -3.983 -4.401 236 HG3 GLN 30 HG1 GLN 30 -0.968 -4.148 -3.878 237 HE21 GLN 30 1HE2 GLN 30 -2.105 -3.992 -6.542 238 HE22 GLN 30 2HE2 GLN 30 -1.567 -5.399 -7.371 239 H GLN 31 H GLN 31 -5.117 -5.204 -1.689 240 HA GLN 31 HA GLN 31 -6.156 -3.036 -3.106 241 HB2 GLN 31 HB2 GLN 31 -7.353 -5.138 -2.712 242 HB3 GLN 31 HB1 GLN 31 -7.446 -4.769 -1.003 243 HG2 GLN 31 HG2 GLN 31 -8.888 -2.889 -1.449 244 HG3 GLN 31 HG1 GLN 31 -8.724 -3.154 -3.186 245 HE21 GLN 31 1HE2 GLN 31 -10.900 -3.444 -3.424 246 HE22 GLN 31 2HE2 GLN 31 -11.715 -4.874 -2.895 247 H VAL 32 H VAL 32 -5.732 -3.574 0.349 248 HA VAL 32 HA VAL 32 -6.751 -1.058 1.161 249 HB VAL 32 HB VAL 32 -4.761 -2.841 2.604 250 HG11 VAL 32 HG11 VAL 32 -6.514 -0.629 3.681 251 HG12 VAL 32 HG12 VAL 32 -4.760 -0.573 3.515 252 HG13 VAL 32 3HG1 VAL 32 -5.504 -1.699 4.652 253 HG21 VAL 32 HG21 VAL 32 -6.712 -3.654 3.850 254 HG22 VAL 32 HG22 VAL 32 -6.821 -4.022 2.128 255 HG23 VAL 32 HG23 VAL 32 -7.764 -2.695 2.808 256 H CYS 33 H CYS 33 -3.468 -2.217 0.460 257 HA CYS 33 HA CYS 33 -1.984 0.074 1.075 258 HB2 CYS 33 HB2 CYS 33 -1.454 -1.752 -1.279 259 HB3 CYS 33 HB1 CYS 33 -0.279 -0.768 -0.421 260 H GLU 34 H GLU 34 -3.589 -0.868 -1.925 261 HA GLU 34 HA GLU 34 -2.909 1.252 -3.574 262 HB2 GLU 34 HB2 GLU 34 -3.942 -0.851 -4.301 263 HB3 GLU 34 HB1 GLU 34 -5.413 -0.434 -3.448 264 HG2 GLU 34 HG2 GLU 34 -5.720 -0.082 -5.795 265 HG3 GLU 34 HG1 GLU 34 -5.709 1.470 -4.967 266 H LYS 35 H LYS 35 -5.706 0.798 -1.423 267 HA LYS 35 HA LYS 35 -6.967 3.255 -1.968 268 HB2 LYS 35 HB2 LYS 35 -8.047 1.342 -0.768 269 HB3 LYS 35 HB1 LYS 35 -7.051 1.721 0.633 270 HG2 LYS 35 HG2 LYS 35 -8.078 4.025 0.604 271 HG3 LYS 35 HG1 LYS 35 -9.210 3.419 -0.599 272 HD2 LYS 35 HD2 LYS 35 -10.229 3.331 1.598 273 HD3 LYS 35 HD1 LYS 35 -9.936 1.687 1.022 274 HE2 LYS 35 HE2 LYS 35 -8.016 1.456 2.416 275 HE3 LYS 35 HE1 LYS 35 -8.037 3.173 2.816 276 HZ1 LYS 35 HZ1 LYS 35 -10.114 1.195 3.602 277 HZ2 LYS 35 HZ2 LYS 35 -10.077 2.824 4.034 278 HZ3 LYS 35 HZ3 LYS 35 -8.889 1.785 4.598 279 H ARG 36 H ARG 36 -4.762 2.312 0.648 280 HA ARG 36 HA ARG 36 -4.572 4.714 2.051 281 HB2 ARG 36 HB2 ARG 36 -2.682 2.455 1.614 282 HB3 ARG 36 HB1 ARG 36 -2.192 3.830 2.592 283 HG2 ARG 36 HG2 ARG 36 -4.701 2.325 3.204 284 HG3 ARG 36 HG1 ARG 36 -3.136 1.665 3.679 285 HD2 ARG 36 HD2 ARG 36 -4.106 2.930 5.506 286 HD3 ARG 36 HD1 ARG 36 -2.652 3.722 4.914 287 HE ARG 36 HE ARG 36 -5.153 4.646 3.815 288 HH11 ARG 36 HH11 ARG 36 -2.510 5.234 6.143 289 HH12 ARG 36 HH12 ARG 36 -3.076 6.766 6.618 290 HH21 ARG 36 HH21 ARG 36 -5.948 6.776 4.547 291 HH22 ARG 36 HH22 ARG 36 -5.020 7.681 5.655 292 H LEU 37 H LEU 37 -2.766 3.631 -0.775 293 HA LEU 37 HA LEU 37 -1.012 5.853 -0.793 294 HB2 LEU 37 HB2 LEU 37 -0.692 3.552 -1.877 295 HB3 LEU 37 HB1 LEU 37 -1.731 4.119 -3.156 296 HG LEU 37 HG LEU 37 0.710 4.177 -3.693 297 HD11 LEU 37 HD11 LEU 37 -0.603 6.880 -3.717 298 HD12 LEU 37 HD12 LEU 37 -0.823 5.601 -4.911 299 HD13 LEU 37 HD13 LEU 37 0.757 6.365 -4.724 300 HD21 LEU 37 HD21 LEU 37 0.806 6.386 -1.646 301 HD22 LEU 37 HD22 LEU 37 2.120 5.902 -2.713 302 HD23 LEU 37 HD23 LEU 37 1.537 4.794 -1.479 303 H ARG 38 H ARG 38 -4.071 5.113 -2.372 304 HA ARG 38 HA ARG 38 -4.168 7.501 -3.899 305 HB2 ARG 38 HB2 ARG 38 -6.406 5.719 -2.953 306 HB3 ARG 38 HB1 ARG 38 -6.602 7.051 -4.082 307 HG2 ARG 38 HG2 ARG 38 -4.976 4.548 -4.520 308 HG3 ARG 38 HG1 ARG 38 -6.519 4.953 -5.273 309 HD2 ARG 38 HD2 ARG 38 -3.894 6.398 -5.642 310 HD3 ARG 38 HD1 ARG 38 -4.712 5.375 -6.817 311 HE ARG 38 HE ARG 38 -6.508 7.334 -6.141 312 HH11 ARG 38 HH11 ARG 38 -3.310 7.205 -7.662 313 HH12 ARG 38 HH12 ARG 38 -3.533 8.620 -8.581 314 HH21 ARG 38 HH21 ARG 38 -6.779 9.313 -7.373 315 HH22 ARG 38 HH22 ARG 38 -5.520 9.841 -8.401 316 H GLU 39 H GLU 39 -5.129 6.694 -0.656 317 HA GLU 39 HA GLU 39 -6.439 9.109 -0.054 318 HB2 GLU 39 HB2 GLU 39 -4.871 7.268 1.753 319 HB3 GLU 39 HB1 GLU 39 -5.893 8.581 2.316 320 HG2 GLU 39 HG2 GLU 39 -7.844 7.485 1.345 321 HG3 GLU 39 HG1 GLU 39 -6.815 6.175 0.761 322 H ARG 40 H ARG 40 -3.065 8.175 -0.068 323 HA ARG 40 HA ARG 40 -2.052 10.601 1.040 324 HB2 ARG 40 HB2 ARG 40 -0.662 8.684 -0.848 325 HB3 ARG 40 HB1 ARG 40 0.123 9.944 0.080 326 HG2 ARG 40 HG2 ARG 40 -1.246 7.502 1.185 327 HG3 ARG 40 HG1 ARG 40 0.489 7.767 1.073 328 HD2 ARG 40 HD2 ARG 40 0.197 9.748 2.579 329 HD3 ARG 40 HD1 ARG 40 -1.488 9.265 2.788 330 HE ARG 40 HE ARG 40 0.183 7.082 3.302 331 HH11 ARG 40 HH11 ARG 40 -0.966 10.060 4.861 332 HH12 ARG 40 HH12 ARG 40 -0.470 9.572 6.412 333 HH21 ARG 40 HH21 ARG 40 0.920 6.481 5.425 334 HH22 ARG 40 HH22 ARG 40 0.599 7.508 6.749 335 H GLU 41 H GLU 41 -2.966 9.577 -2.141 336 HA GLU 41 HA GLU 41 -1.915 11.774 -3.605 337 HB2 GLU 41 HB2 GLU 41 -4.174 9.865 -4.186 338 HB3 GLU 41 HB1 GLU 41 -3.611 11.077 -5.327 339 HG2 GLU 41 HG2 GLU 41 -1.914 8.885 -4.171 340 HG3 GLU 41 HG1 GLU 41 -2.694 8.841 -5.757 341 H GLY 42 H GLY 42 -5.014 11.130 -2.104 342 HA2 GLY 42 HA2 GLY 42 -6.174 13.571 -3.032 343 HA3 GLY 42 HA1 GLY 42 -6.882 12.454 -1.881 344 H ARG 43 H ARG 43 -5.171 12.440 0.208 345 HA ARG 43 HA ARG 43 -5.866 14.884 1.461 346 HB2 ARG 43 HB2 ARG 43 -3.939 12.790 2.506 347 HB3 ARG 43 HB1 ARG 43 -4.716 14.049 3.450 348 HG2 ARG 43 HG2 ARG 43 -6.912 12.999 2.964 349 HG3 ARG 43 HG1 ARG 43 -6.067 11.701 2.120 350 HD2 ARG 43 HD2 ARG 43 -4.781 11.325 4.285 351 HD3 ARG 43 HD1 ARG 43 -5.945 12.402 5.052 352 HE ARG 43 HE ARG 43 -7.024 10.139 3.581 353 HH11 ARG 43 HH11 ARG 43 -6.480 11.597 6.778 354 HH12 ARG 43 HH12 ARG 43 -7.127 10.286 7.639 355 HH21 ARG 43 HH21 ARG 43 -7.887 8.272 4.820 356 HH22 ARG 43 HH22 ARG 43 -7.962 8.384 6.506 357 H ARG 44 H ARG 44 -2.859 13.701 0.075 358 HA ARG 44 HA ARG 44 -1.563 16.162 0.950 359 HB2 ARG 44 HB2 ARG 44 -0.359 13.668 -0.251 360 HB3 ARG 44 HB1 ARG 44 0.542 15.090 0.248 361 HG2 ARG 44 HG2 ARG 44 -0.138 14.732 2.545 362 HG3 ARG 44 HG1 ARG 44 -1.077 13.318 2.060 363 HD2 ARG 44 HD2 ARG 44 0.958 12.241 1.254 364 HD3 ARG 44 HD1 ARG 44 1.901 13.652 1.728 365 HE ARG 44 HE ARG 44 0.545 12.828 3.971 366 HH11 ARG 44 HH11 ARG 44 2.996 11.522 1.813 367 HH12 ARG 44 HH12 ARG 44 3.724 10.487 2.942 368 HH21 ARG 44 HH21 ARG 44 1.529 11.419 5.607 369 HH22 ARG 44 HH22 ARG 44 2.839 10.423 5.187 370 H GLU 45 H GLU 45 -1.885 17.729 -0.403 371 HA GLU 45 HA GLU 45 -2.049 17.275 -3.250 372 HB2 GLU 45 HB2 GLU 45 -2.087 19.841 -1.640 373 HB3 GLU 45 HB1 GLU 45 -2.438 19.719 -3.353 374 HG2 GLU 45 HG2 GLU 45 -4.396 18.355 -2.874 375 HG3 GLU 45 HG1 GLU 45 -4.034 18.432 -1.151 376 H VAL 46 H VAL 46 -0.112 16.753 -4.072 377 HA VAL 46 HA VAL 46 2.131 18.492 -3.353 378 HB VAL 46 HB VAL 46 2.436 15.556 -4.040 379 HG11 VAL 46 HG11 VAL 46 4.400 16.871 -4.572 380 HG12 VAL 46 HG12 VAL 46 4.731 15.825 -3.191 381 HG13 VAL 46 3HG1 VAL 46 4.423 17.541 -2.941 382 HG21 VAL 46 HG21 VAL 46 2.949 15.168 -1.660 383 HG22 VAL 46 HG22 VAL 46 1.295 15.734 -1.896 384 HG23 VAL 46 HG23 VAL 46 2.531 16.845 -1.309 385 H ASP 47 H ASP 47 1.169 19.625 -5.175 386 HA ASP 47 HA ASP 47 2.671 18.948 -7.548 387 HB2 ASP 47 HB2 ASP 47 -0.306 19.453 -7.533 388 HB3 ASP 47 HB1 ASP 47 0.668 19.875 -8.930 Start of MODEL 20 1 H2 PRO 1 HT1 PRO 1 14.727 8.025 1.169 2 H3 PRO 1 HT2 PRO 1 16.172 7.442 0.717 3 HA PRO 1 HA PRO 1 15.868 5.605 1.657 4 HB2 PRO 1 HB2 PRO 1 14.302 6.005 3.946 5 HB3 PRO 1 HB1 PRO 1 16.040 5.705 3.897 6 HG2 PRO 1 HG2 PRO 1 14.592 8.286 4.130 7 HG3 PRO 1 HG1 PRO 1 16.191 7.835 4.748 8 HD2 PRO 1 HD2 PRO 1 15.895 9.445 2.607 9 HD3 PRO 1 HD1 PRO 1 17.236 8.291 2.726 10 H ARG 2 H ARG 2 13.810 4.265 2.339 11 HA ARG 2 HA ARG 2 11.797 5.123 0.464 12 HB2 ARG 2 HB2 ARG 2 12.150 2.505 1.905 13 HB3 ARG 2 HB1 ARG 2 10.905 2.854 0.714 14 HG2 ARG 2 HG2 ARG 2 12.597 3.228 -0.973 15 HG3 ARG 2 HG1 ARG 2 13.863 2.872 0.208 16 HD2 ARG 2 HD2 ARG 2 13.377 0.931 -1.166 17 HD3 ARG 2 HD1 ARG 2 12.929 0.655 0.518 18 HE ARG 2 HE ARG 2 10.803 1.637 -1.153 19 HH11 ARG 2 HH11 ARG 2 12.328 -1.209 0.304 20 HH12 ARG 2 HH12 ARG 2 11.064 -2.267 -0.114 21 HH21 ARG 2 HH21 ARG 2 9.061 0.178 -1.715 22 HH22 ARG 2 HH22 ARG 2 9.180 -1.477 -1.290 23 H GLY 3 H GLY 3 10.700 6.594 1.409 24 HA2 GLY 3 HA2 GLY 3 8.782 5.731 3.467 25 HA3 GLY 3 HA1 GLY 3 9.709 7.199 3.790 26 H SER 4 H SER 4 9.139 6.624 0.568 27 HA SER 4 HA SER 4 7.453 8.934 0.374 28 HB2 SER 4 HB2 SER 4 8.611 7.168 -1.789 29 HB3 SER 4 HB1 SER 4 8.044 8.836 -1.942 30 HG SER 4 HG SER 4 9.712 9.501 -0.632 31 HA PRO 5 HA PRO 5 3.538 7.019 0.231 32 HB2 PRO 5 HB2 PRO 5 2.555 8.056 -2.196 33 HB3 PRO 5 HB1 PRO 5 2.383 8.769 -0.590 34 HG2 PRO 5 HG2 PRO 5 4.371 9.365 -2.732 35 HG3 PRO 5 HG1 PRO 5 3.607 10.466 -1.573 36 HD2 PRO 5 HD2 PRO 5 6.129 9.697 -1.261 37 HD3 PRO 5 HD1 PRO 5 5.059 9.848 0.145 38 H ARG 6 H ARG 6 4.950 6.902 -3.059 39 HA ARG 6 HA ARG 6 3.221 4.716 -3.756 40 HB2 ARG 6 HB2 ARG 6 5.585 5.767 -5.339 41 HB3 ARG 6 HB1 ARG 6 4.285 4.753 -5.934 42 HG2 ARG 6 HG2 ARG 6 3.963 7.580 -4.933 43 HG3 ARG 6 HG1 ARG 6 3.986 7.079 -6.624 44 HD2 ARG 6 HD2 ARG 6 1.950 5.853 -6.358 45 HD3 ARG 6 HD1 ARG 6 1.994 6.042 -4.611 46 HE ARG 6 HE ARG 6 1.955 8.561 -5.758 47 HH11 ARG 6 HH11 ARG 6 -0.177 5.743 -5.808 48 HH12 ARG 6 HH12 ARG 6 -1.613 6.620 -5.583 49 HH21 ARG 6 HH21 ARG 6 -0.068 9.810 -5.414 50 HH22 ARG 6 HH22 ARG 6 -1.535 8.961 -5.260 51 H THR 7 H THR 7 6.537 5.006 -2.724 52 HA THR 7 HA THR 7 7.053 2.266 -3.348 53 HB THR 7 HB THR 7 8.904 3.965 -3.331 54 HG1 THR 7 HG1 THR 7 9.850 2.108 -3.217 55 HG21 THR 7 HG21 THR 7 9.938 4.624 -1.214 56 HG22 THR 7 HG22 THR 7 8.677 3.769 -0.328 57 HG23 THR 7 HG23 THR 7 8.265 5.187 -1.286 58 H GLU 8 H GLU 8 5.956 4.010 -0.517 59 HA GLU 8 HA GLU 8 6.147 1.966 1.430 60 HB2 GLU 8 HB2 GLU 8 5.686 4.333 1.969 61 HB3 GLU 8 HB1 GLU 8 4.166 4.212 1.093 62 HG2 GLU 8 HG2 GLU 8 3.818 4.167 3.515 63 HG3 GLU 8 HG1 GLU 8 3.283 2.679 2.743 64 H TYR 9 H TYR 9 3.625 2.978 -0.774 65 HA TYR 9 HA TYR 9 1.630 1.202 -0.124 66 HB2 TYR 9 HB2 TYR 9 0.867 2.893 -1.407 67 HB3 TYR 9 HB1 TYR 9 2.345 3.014 -2.343 68 HD1 TYR 9 HD1 TYR 9 -0.907 1.381 -2.052 69 HD2 TYR 9 HD2 TYR 9 2.597 1.857 -4.320 70 HE1 TYR 9 HE1 TYR 9 -2.032 0.281 -3.968 71 HE2 TYR 9 HE2 TYR 9 1.535 0.763 -6.273 72 HH TYR 9 HH TYR 9 -0.247 -0.742 -6.730 73 H GLU 10 H GLU 10 4.328 0.831 -2.369 74 HA GLU 10 HA GLU 10 3.443 -1.694 -3.372 75 HB2 GLU 10 HB2 GLU 10 4.975 -0.064 -4.563 76 HB3 GLU 10 HB1 GLU 10 6.245 -0.565 -3.454 77 HG2 GLU 10 HG2 GLU 10 6.500 -1.750 -5.511 78 HG3 GLU 10 HG1 GLU 10 5.972 -2.886 -4.266 79 H ALA 11 H ALA 11 5.808 -0.623 -0.967 80 HA ALA 11 HA ALA 11 6.860 -3.142 -0.284 81 HB1 ALA 11 HB1 ALA 11 7.707 -2.046 1.715 82 HB2 ALA 11 HB2 ALA 11 6.644 -0.668 1.418 83 HB3 ALA 11 HB3 ALA 11 7.952 -1.032 0.293 84 H CYS 12 H CYS 12 4.035 -1.432 0.721 85 HA CYS 12 HA CYS 12 3.322 -2.829 3.024 86 HB2 CYS 12 HB2 CYS 12 2.278 -0.713 2.037 87 HB3 CYS 12 HB1 CYS 12 1.397 -1.761 0.940 88 H ARG 13 H ARG 13 2.968 -3.617 -0.374 89 HA ARG 13 HA ARG 13 1.252 -5.884 0.013 90 HB2 ARG 13 HB2 ARG 13 2.968 -5.093 -2.332 91 HB3 ARG 13 HB1 ARG 13 1.715 -6.326 -2.354 92 HG2 ARG 13 HG2 ARG 13 0.017 -4.668 -1.966 93 HG3 ARG 13 HG1 ARG 13 1.244 -3.411 -1.783 94 HD2 ARG 13 HD2 ARG 13 0.260 -3.333 -3.999 95 HD3 ARG 13 HD1 ARG 13 1.961 -3.782 -4.083 96 HE ARG 13 HE ARG 13 0.078 -5.980 -4.031 97 HH11 ARG 13 HH11 ARG 13 2.290 -4.011 -5.957 98 HH12 ARG 13 HH12 ARG 13 2.070 -4.893 -7.390 99 HH21 ARG 13 HH21 ARG 13 -0.210 -7.223 -5.981 100 HH22 ARG 13 HH22 ARG 13 0.637 -6.782 -7.390 101 H VAL 14 H VAL 14 4.679 -5.317 -0.543 102 HA VAL 14 HA VAL 14 5.541 -8.005 -0.674 103 HB VAL 14 HB VAL 14 7.096 -5.580 0.308 104 HG11 VAL 14 HG11 VAL 14 8.106 -8.221 -0.752 105 HG12 VAL 14 HG12 VAL 14 8.207 -7.665 0.918 106 HG13 VAL 14 3HG1 VAL 14 9.109 -6.827 -0.346 107 HG21 VAL 14 HG21 VAL 14 7.946 -5.442 -2.002 108 HG22 VAL 14 HG22 VAL 14 6.200 -5.210 -1.920 109 HG23 VAL 14 HG23 VAL 14 6.859 -6.752 -2.463 110 H ARG 15 H ARG 15 5.158 -5.773 1.974 111 HA ARG 15 HA ARG 15 6.090 -7.221 4.146 112 HB2 ARG 15 HB2 ARG 15 5.328 -4.865 4.150 113 HB3 ARG 15 HB1 ARG 15 3.677 -5.419 3.974 114 HG2 ARG 15 HG2 ARG 15 3.835 -6.513 6.172 115 HG3 ARG 15 HG1 ARG 15 5.478 -5.879 6.343 116 HD2 ARG 15 HD2 ARG 15 2.956 -4.262 6.010 117 HD3 ARG 15 HD1 ARG 15 3.906 -4.424 7.488 118 HE ARG 15 HE ARG 15 5.758 -3.389 6.092 119 HH11 ARG 15 HH11 ARG 15 2.336 -2.535 5.708 120 HH12 ARG 15 HH12 ARG 15 2.651 -1.006 5.051 121 HH21 ARG 15 HH21 ARG 15 6.177 -1.343 5.149 122 HH22 ARG 15 HH22 ARG 15 4.914 -0.280 4.711 123 H CYS 16 H CYS 16 2.859 -7.177 2.670 124 HA CYS 16 HA CYS 16 1.799 -9.148 4.362 125 HB2 CYS 16 HB2 CYS 16 0.895 -8.112 1.700 126 HB3 CYS 16 HB1 CYS 16 -0.025 -9.267 2.660 127 H GLN 17 H GLN 17 3.675 -9.423 1.442 128 HA GLN 17 HA GLN 17 2.986 -12.068 0.747 129 HB2 GLN 17 HB2 GLN 17 5.608 -10.598 0.412 130 HB3 GLN 17 HB1 GLN 17 5.249 -12.149 -0.324 131 HG2 GLN 17 HG2 GLN 17 3.519 -11.178 -1.651 132 HG3 GLN 17 HG1 GLN 17 3.697 -9.623 -0.832 133 HE21 GLN 17 1HE2 GLN 17 3.951 -10.267 -3.676 134 HE22 GLN 17 2HE2 GLN 17 5.539 -9.779 -4.115 135 H VAL 18 H VAL 18 5.396 -10.746 2.943 136 HA VAL 18 HA VAL 18 6.154 -13.428 3.715 137 HB VAL 18 HB VAL 18 7.944 -11.783 3.436 138 HG11 VAL 18 HG11 VAL 18 6.840 -9.755 4.097 139 HG12 VAL 18 HG12 VAL 18 8.317 -9.971 5.038 140 HG13 VAL 18 3HG1 VAL 18 6.749 -10.315 5.767 141 HG21 VAL 18 HG21 VAL 18 9.183 -12.186 5.528 142 HG22 VAL 18 HG22 VAL 18 8.368 -13.636 4.943 143 HG23 VAL 18 HG23 VAL 18 7.687 -12.725 6.291 144 H ALA 19 H ALA 19 4.331 -10.769 5.156 145 HA ALA 19 HA ALA 19 4.208 -12.098 7.713 146 HB1 ALA 19 HB1 ALA 19 2.873 -10.218 8.455 147 HB2 ALA 19 HB2 ALA 19 2.706 -9.656 6.790 148 HB3 ALA 19 HB3 ALA 19 4.287 -9.647 7.568 149 H GLU 20 H GLU 20 1.653 -11.140 5.393 150 HA GLU 20 HA GLU 20 -0.422 -12.620 6.662 151 HB2 GLU 20 HB2 GLU 20 -0.166 -11.644 3.806 152 HB3 GLU 20 HB1 GLU 20 -1.627 -12.325 4.494 153 HG2 GLU 20 HG2 GLU 20 -0.309 -9.882 5.617 154 HG3 GLU 20 HG1 GLU 20 -1.473 -9.805 4.299 155 H HIS 21 H HIS 21 1.585 -13.152 3.852 156 HA HIS 21 HA HIS 21 2.155 -14.874 2.582 157 HB2 HIS 21 HB2 HIS 21 3.006 -15.823 4.749 158 HB3 HIS 21 HB1 HIS 21 1.471 -16.663 4.940 159 HD1 HIS 21 HD1 HIS 21 1.510 -19.049 4.060 160 HD2 HIS 21 HD2 HIS 21 4.322 -16.614 2.211 161 HE1 HIS 21 HE1 HIS 21 2.850 -20.545 2.554 162 H GLY 22 H GLY 22 0.822 -14.902 0.977 163 HA2 GLY 22 HA2 GLY 22 -0.852 -16.821 0.298 164 HA3 GLY 22 HA1 GLY 22 -1.900 -15.772 1.257 165 H VAL 23 H VAL 23 -1.517 -16.405 -1.720 166 HA VAL 23 HA VAL 23 -0.572 -14.058 -2.959 167 HB VAL 23 HB VAL 23 -2.536 -16.064 -4.086 168 HG11 VAL 23 HG11 VAL 23 -2.415 -14.029 -5.403 169 HG12 VAL 23 HG12 VAL 23 -1.637 -15.360 -6.264 170 HG13 VAL 23 3HG1 VAL 23 -0.657 -14.140 -5.452 171 HG21 VAL 23 HG21 VAL 23 -0.575 -17.193 -5.027 172 HG22 VAL 23 HG22 VAL 23 -0.536 -17.181 -3.264 173 HG23 VAL 23 HG23 VAL 23 0.477 -16.063 -4.176 174 H GLU 24 H GLU 24 -3.874 -15.169 -2.296 175 HA GLU 24 HA GLU 24 -5.059 -12.785 -3.285 176 HB2 GLU 24 HB2 GLU 24 -6.268 -14.845 -1.422 177 HB3 GLU 24 HB1 GLU 24 -7.158 -13.559 -2.211 178 HG2 GLU 24 HG2 GLU 24 -7.610 -15.515 -3.440 179 HG3 GLU 24 HG1 GLU 24 -6.458 -14.604 -4.408 180 H ARG 25 H ARG 25 -3.689 -13.707 -0.324 181 HA ARG 25 HA ARG 25 -4.918 -11.659 1.267 182 HB2 ARG 25 HB2 ARG 25 -2.435 -13.304 1.796 183 HB3 ARG 25 HB1 ARG 25 -3.200 -12.233 2.966 184 HG2 ARG 25 HG2 ARG 25 -5.224 -13.572 2.904 185 HG3 ARG 25 HG1 ARG 25 -4.500 -14.625 1.690 186 HD2 ARG 25 HD2 ARG 25 -2.779 -15.289 3.291 187 HD3 ARG 25 HD1 ARG 25 -3.483 -14.212 4.497 188 HE ARG 25 HE ARG 25 -5.560 -15.752 3.837 189 HH11 ARG 25 HH11 ARG 25 -2.229 -16.677 4.690 190 HH12 ARG 25 HH12 ARG 25 -2.704 -18.100 5.494 191 HH21 ARG 25 HH21 ARG 25 -6.166 -17.741 4.902 192 HH22 ARG 25 HH22 ARG 25 -4.968 -18.722 5.609 193 H GLN 26 H GLN 26 -1.935 -11.990 -0.528 194 HA GLN 26 HA GLN 26 -0.863 -9.455 0.114 195 HB2 GLN 26 HB2 GLN 26 0.513 -11.245 -0.852 196 HB3 GLN 26 HB1 GLN 26 -0.465 -11.254 -2.298 197 HG2 GLN 26 HG2 GLN 26 1.107 -8.808 -1.526 198 HG3 GLN 26 HG1 GLN 26 1.885 -10.159 -2.331 199 HE21 GLN 26 1HE2 GLN 26 1.282 -10.655 -4.451 200 HE22 GLN 26 2HE2 GLN 26 0.494 -9.517 -5.465 201 H ARG 27 H ARG 27 -2.975 -10.634 -2.430 202 HA ARG 27 HA ARG 27 -3.263 -8.158 -3.763 203 HB2 ARG 27 HB2 ARG 27 -5.114 -10.539 -3.700 204 HB3 ARG 27 HB1 ARG 27 -5.252 -9.201 -4.831 205 HG2 ARG 27 HG2 ARG 27 -2.978 -9.745 -5.668 206 HG3 ARG 27 HG1 ARG 27 -2.966 -11.144 -4.603 207 HD2 ARG 27 HD2 ARG 27 -3.575 -11.804 -6.844 208 HD3 ARG 27 HD1 ARG 27 -4.942 -12.023 -5.755 209 HE ARG 27 HE ARG 27 -5.381 -9.566 -6.750 210 HH11 ARG 27 HH11 ARG 27 -4.621 -12.624 -8.403 211 HH12 ARG 27 HH12 ARG 27 -5.585 -12.281 -9.751 212 HH21 ARG 27 HH21 ARG 27 -6.666 -9.105 -8.621 213 HH22 ARG 27 HH22 ARG 27 -6.731 -10.212 -9.905 214 H ARG 28 H ARG 28 -4.969 -9.649 -1.106 215 HA ARG 28 HA ARG 28 -6.983 -7.755 -0.742 216 HB2 ARG 28 HB2 ARG 28 -6.934 -9.868 0.503 217 HB3 ARG 28 HB1 ARG 28 -5.461 -9.377 1.317 218 HG2 ARG 28 HG2 ARG 28 -6.610 -7.688 2.539 219 HG3 ARG 28 HG1 ARG 28 -8.087 -7.919 1.614 220 HD2 ARG 28 HD2 ARG 28 -8.334 -9.013 3.735 221 HD3 ARG 28 HD1 ARG 28 -8.192 -10.248 2.488 222 HE ARG 28 HE ARG 28 -5.751 -9.504 3.841 223 HH11 ARG 28 HH11 ARG 28 -8.398 -11.843 3.582 224 HH12 ARG 28 HH12 ARG 28 -7.694 -12.998 4.593 225 HH21 ARG 28 HH21 ARG 28 -4.769 -11.104 5.318 226 HH22 ARG 28 HH22 ARG 28 -5.615 -12.534 5.670 227 H CYS 29 H CYS 29 -3.640 -7.865 0.480 228 HA CYS 29 HA CYS 29 -3.750 -5.378 1.736 229 HB2 CYS 29 HB2 CYS 29 -1.458 -7.012 0.719 230 HB3 CYS 29 HB1 CYS 29 -1.245 -5.463 1.528 231 H GLN 30 H GLN 30 -3.080 -6.286 -1.595 232 HA GLN 30 HA GLN 30 -2.099 -3.795 -2.419 233 HB2 GLN 30 HB2 GLN 30 -2.181 -5.918 -3.849 234 HB3 GLN 30 HB1 GLN 30 -3.890 -5.610 -4.090 235 HG2 GLN 30 HG2 GLN 30 -1.715 -3.680 -4.928 236 HG3 GLN 30 HG1 GLN 30 -2.365 -4.922 -5.983 237 HE21 GLN 30 1HE2 GLN 30 -2.366 -1.945 -6.179 238 HE22 GLN 30 2HE2 GLN 30 -4.015 -1.504 -6.326 239 H GLN 31 H GLN 31 -5.405 -5.047 -2.330 240 HA GLN 31 HA GLN 31 -6.791 -2.740 -3.061 241 HB2 GLN 31 HB2 GLN 31 -7.847 -4.949 -2.828 242 HB3 GLN 31 HB1 GLN 31 -7.607 -4.879 -1.090 243 HG2 GLN 31 HG2 GLN 31 -9.070 -2.845 -1.050 244 HG3 GLN 31 HG1 GLN 31 -9.405 -3.136 -2.753 245 HE21 GLN 31 1HE2 GLN 31 -9.035 -5.698 -0.401 246 HE22 GLN 31 2HE2 GLN 31 -10.675 -6.201 -0.405 247 H VAL 32 H VAL 32 -6.018 -3.913 0.200 248 HA VAL 32 HA VAL 32 -7.126 -1.757 1.605 249 HB VAL 32 HB VAL 32 -5.004 -3.736 2.495 250 HG11 VAL 32 HG11 VAL 32 -4.889 -1.731 3.891 251 HG12 VAL 32 HG12 VAL 32 -5.575 -3.084 4.796 252 HG13 VAL 32 3HG1 VAL 32 -6.628 -1.819 4.163 253 HG21 VAL 32 HG21 VAL 32 -6.872 -4.815 3.666 254 HG22 VAL 32 HG22 VAL 32 -7.150 -4.748 1.925 255 HG23 VAL 32 HG23 VAL 32 -7.980 -3.618 2.994 256 H CYS 33 H CYS 33 -3.675 -2.328 0.791 257 HA CYS 33 HA CYS 33 -2.834 0.056 2.052 258 HB2 CYS 33 HB2 CYS 33 -1.382 -1.533 -0.087 259 HB3 CYS 33 HB1 CYS 33 -0.655 -0.363 1.014 260 H GLU 34 H GLU 34 -4.024 -0.673 -1.147 261 HA GLU 34 HA GLU 34 -3.239 1.722 -2.417 262 HB2 GLU 34 HB2 GLU 34 -4.088 -0.330 -3.570 263 HB3 GLU 34 HB1 GLU 34 -5.674 0.008 -2.916 264 HG2 GLU 34 HG2 GLU 34 -5.731 2.104 -4.177 265 HG3 GLU 34 HG1 GLU 34 -4.150 1.714 -4.860 266 H LYS 35 H LYS 35 -6.107 0.728 -0.589 267 HA LYS 35 HA LYS 35 -7.525 3.166 -0.847 268 HB2 LYS 35 HB2 LYS 35 -7.715 1.049 1.295 269 HB3 LYS 35 HB1 LYS 35 -8.833 2.392 1.107 270 HG2 LYS 35 HG2 LYS 35 -9.432 1.518 -1.135 271 HG3 LYS 35 HG1 LYS 35 -8.355 0.153 -0.836 272 HD2 LYS 35 HD2 LYS 35 -10.643 -0.481 -0.375 273 HD3 LYS 35 HD1 LYS 35 -9.699 -0.472 1.115 274 HE2 LYS 35 HE2 LYS 35 -10.619 1.724 1.687 275 HE3 LYS 35 HE1 LYS 35 -11.546 1.737 0.187 276 HZ1 LYS 35 HZ1 LYS 35 -12.731 -0.231 1.003 277 HZ2 LYS 35 HZ2 LYS 35 -12.916 1.100 2.018 278 HZ3 LYS 35 HZ3 LYS 35 -11.874 -0.134 2.467 279 H ARG 36 H ARG 36 -5.376 1.879 1.614 280 HA ARG 36 HA ARG 36 -5.543 3.998 3.419 281 HB2 ARG 36 HB2 ARG 36 -3.238 2.135 2.883 282 HB3 ARG 36 HB1 ARG 36 -3.305 3.253 4.233 283 HG2 ARG 36 HG2 ARG 36 -5.334 2.097 5.045 284 HG3 ARG 36 HG1 ARG 36 -5.161 0.937 3.725 285 HD2 ARG 36 HD2 ARG 36 -4.219 0.089 5.817 286 HD3 ARG 36 HD1 ARG 36 -2.980 0.286 4.570 287 HE ARG 36 HE ARG 36 -3.104 2.635 6.051 288 HH11 ARG 36 HH11 ARG 36 -2.130 -0.732 6.640 289 HH12 ARG 36 HH12 ARG 36 -1.002 -0.325 7.830 290 HH21 ARG 36 HH21 ARG 36 -1.542 3.180 7.614 291 HH22 ARG 36 HH22 ARG 36 -0.627 1.960 8.392 292 H LEU 37 H LEU 37 -3.348 3.465 0.717 293 HA LEU 37 HA LEU 37 -1.855 5.820 1.079 294 HB2 LEU 37 HB2 LEU 37 -1.257 3.729 -0.265 295 HB3 LEU 37 HB1 LEU 37 -2.319 4.325 -1.511 296 HG LEU 37 HG LEU 37 0.122 4.690 -1.938 297 HD11 LEU 37 HD11 LEU 37 -0.039 6.982 -2.699 298 HD12 LEU 37 HD12 LEU 37 -1.542 7.177 -1.781 299 HD13 LEU 37 HD13 LEU 37 -1.452 6.016 -3.112 300 HD21 LEU 37 HD21 LEU 37 0.784 5.133 0.349 301 HD22 LEU 37 HD22 LEU 37 -0.100 6.668 0.321 302 HD23 LEU 37 HD23 LEU 37 1.290 6.421 -0.738 303 H ARG 38 H ARG 38 -4.721 5.011 -0.802 304 HA ARG 38 HA ARG 38 -5.074 7.401 -2.180 305 HB2 ARG 38 HB2 ARG 38 -6.307 5.340 -2.674 306 HB3 ARG 38 HB1 ARG 38 -7.144 5.474 -1.142 307 HG2 ARG 38 HG2 ARG 38 -8.272 7.469 -1.882 308 HG3 ARG 38 HG1 ARG 38 -7.358 7.463 -3.391 309 HD2 ARG 38 HD2 ARG 38 -9.243 5.305 -2.464 310 HD3 ARG 38 HD1 ARG 38 -9.611 6.521 -3.682 311 HE ARG 38 HE ARG 38 -7.741 5.553 -4.975 312 HH11 ARG 38 HH11 ARG 38 -9.441 3.495 -2.598 313 HH12 ARG 38 HH12 ARG 38 -9.106 2.042 -3.421 314 HH21 ARG 38 HH21 ARG 38 -7.290 3.509 -6.098 315 HH22 ARG 38 HH22 ARG 38 -7.824 2.052 -5.434 316 H GLU 39 H GLU 39 -6.213 6.442 1.014 317 HA GLU 39 HA GLU 39 -7.453 8.957 1.405 318 HB2 GLU 39 HB2 GLU 39 -6.747 6.829 3.425 319 HB3 GLU 39 HB1 GLU 39 -7.729 8.248 3.764 320 HG2 GLU 39 HG2 GLU 39 -9.317 7.480 1.993 321 HG3 GLU 39 HG1 GLU 39 -8.380 5.993 1.884 322 H ARG 40 H ARG 40 -4.298 7.660 2.136 323 HA ARG 40 HA ARG 40 -3.414 9.750 3.801 324 HB2 ARG 40 HB2 ARG 40 -2.152 7.612 3.507 325 HB3 ARG 40 HB1 ARG 40 -1.745 8.104 1.873 326 HG2 ARG 40 HG2 ARG 40 -0.512 10.035 2.768 327 HG3 ARG 40 HG1 ARG 40 -0.900 9.509 4.403 328 HD2 ARG 40 HD2 ARG 40 0.701 7.929 2.382 329 HD3 ARG 40 HD1 ARG 40 1.379 8.861 3.712 330 HE ARG 40 HE ARG 40 -0.517 6.930 4.601 331 HH11 ARG 40 HH11 ARG 40 2.903 7.344 3.674 332 HH12 ARG 40 HH12 ARG 40 3.451 5.967 4.466 333 HH21 ARG 40 HH21 ARG 40 0.254 5.001 5.724 334 HH22 ARG 40 HH22 ARG 40 1.888 4.588 5.687 335 H GLU 41 H GLU 41 -3.328 9.380 0.262 336 HA GLU 41 HA GLU 41 -2.133 11.962 -0.030 337 HB2 GLU 41 HB2 GLU 41 -2.363 11.700 -2.432 338 HB3 GLU 41 HB1 GLU 41 -1.733 10.217 -1.750 339 HG2 GLU 41 HG2 GLU 41 -3.733 9.061 -2.124 340 HG3 GLU 41 HG1 GLU 41 -4.658 10.545 -2.326 341 H GLY 42 H GLY 42 -5.380 10.673 -0.163 342 HA2 GLY 42 HA2 GLY 42 -6.595 12.905 -1.398 343 HA3 GLY 42 HA1 GLY 42 -7.408 11.593 -0.571 344 H ARG 43 H ARG 43 -6.150 12.069 2.003 345 HA ARG 43 HA ARG 43 -7.944 14.129 2.866 346 HB2 ARG 43 HB2 ARG 43 -5.836 12.626 4.416 347 HB3 ARG 43 HB1 ARG 43 -7.045 13.683 5.133 348 HG2 ARG 43 HG2 ARG 43 -8.821 12.233 4.393 349 HG3 ARG 43 HG1 ARG 43 -7.667 11.217 3.527 350 HD2 ARG 43 HD2 ARG 43 -6.555 10.744 5.693 351 HD3 ARG 43 HD1 ARG 43 -7.847 11.638 6.499 352 HE ARG 43 HE ARG 43 -9.030 9.743 4.880 353 HH11 ARG 43 HH11 ARG 43 -6.963 9.808 7.726 354 HH12 ARG 43 HH12 ARG 43 -7.511 8.323 8.344 355 HH21 ARG 43 HH21 ARG 43 -9.761 7.650 5.692 356 HH22 ARG 43 HH22 ARG 43 -9.154 7.064 7.163 357 H ARG 44 H ARG 44 -4.743 14.070 1.867 358 HA ARG 44 HA ARG 44 -4.092 16.633 3.094 359 HB2 ARG 44 HB2 ARG 44 -2.447 14.806 1.327 360 HB3 ARG 44 HB1 ARG 44 -1.865 16.294 2.062 361 HG2 ARG 44 HG2 ARG 44 -2.210 15.343 4.283 362 HG3 ARG 44 HG1 ARG 44 -2.819 13.859 3.553 363 HD2 ARG 44 HD2 ARG 44 -0.665 13.485 2.481 364 HD3 ARG 44 HD1 ARG 44 -0.057 14.997 3.157 365 HE ARG 44 HE ARG 44 -0.840 13.674 5.334 366 HH11 ARG 44 HH11 ARG 44 1.250 12.716 2.641 367 HH12 ARG 44 HH12 ARG 44 2.209 11.645 3.548 368 HH21 ARG 44 HH21 ARG 44 0.522 12.209 6.612 369 HH22 ARG 44 HH22 ARG 44 1.805 11.371 5.878 370 H GLU 45 H GLU 45 -4.552 15.155 -0.075 371 HA GLU 45 HA GLU 45 -4.753 17.810 -1.315 372 HB2 GLU 45 HB2 GLU 45 -2.947 16.335 -2.157 373 HB3 GLU 45 HB1 GLU 45 -4.138 15.099 -2.510 374 HG2 GLU 45 HG2 GLU 45 -5.160 16.632 -4.157 375 HG3 GLU 45 HG1 GLU 45 -3.861 17.782 -3.836 376 H VAL 46 H VAL 46 -6.920 18.223 -1.070 377 HA VAL 46 HA VAL 46 -8.765 16.167 -2.019 378 HB VAL 46 HB VAL 46 -8.841 16.247 0.435 379 HG11 VAL 46 HG11 VAL 46 -8.086 18.478 0.870 380 HG12 VAL 46 HG12 VAL 46 -9.673 18.257 1.618 381 HG13 VAL 46 3HG1 VAL 46 -9.524 19.154 0.110 382 HG21 VAL 46 HG21 VAL 46 -11.311 17.456 -0.816 383 HG22 VAL 46 HG22 VAL 46 -11.254 16.645 0.748 384 HG23 VAL 46 HG23 VAL 46 -10.930 15.737 -0.727 385 H ASP 47 H ASP 47 -10.308 16.847 -3.385 386 HA ASP 47 HA ASP 47 -10.665 19.726 -3.678 387 HB2 ASP 47 HB2 ASP 47 -9.484 18.785 -5.664 388 HB3 ASP 47 HB1 ASP 47 -10.830 17.672 -5.901
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