NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10143 | 1pa4 | 5796 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 6 H LYS 6 -17.313 2.054 -7.667 2 HA LYS 6 HA LYS 6 -16.638 4.625 -8.321 3 1HB LYS 6 1HB LYS 6 -16.125 4.907 -5.947 4 2HB LYS 6 2HB LYS 6 -17.590 3.975 -6.179 5 1HG LYS 6 1HG LYS 6 -16.090 1.861 -5.991 6 2HG LYS 6 2HG LYS 6 -14.832 2.935 -5.413 7 1HD LYS 6 1HD LYS 6 -16.134 3.598 -3.489 8 2HD LYS 6 2HD LYS 6 -17.602 2.903 -4.148 9 1HE LYS 6 1HE LYS 6 -16.904 1.285 -2.563 10 2HE LYS 6 2HE LYS 6 -16.344 0.619 -4.084 11 1HZ LYS 6 1HZ LYS 6 -14.705 0.699 -2.218 12 2HZ LYS 6 2HZ LYS 6 -14.183 1.317 -3.637 13 3HZ LYS 6 3HZ LYS 6 -14.628 2.317 -2.426 14 H GLU 7 H GLU 7 -14.536 5.783 -7.519 15 HA GLU 7 HA GLU 7 -12.169 4.289 -7.590 16 1HB GLU 7 1HB GLU 7 -13.142 5.501 -10.161 17 2HB GLU 7 2HB GLU 7 -11.433 5.649 -9.803 18 1HG GLU 7 1HG GLU 7 -11.788 3.010 -9.187 19 2HG GLU 7 2HG GLU 7 -13.046 3.192 -10.393 20 H ARG 8 H ARG 8 -12.996 7.521 -9.029 21 HA ARG 8 HA ARG 8 -12.283 9.514 -8.560 22 1HB ARG 8 1HB ARG 8 -13.255 8.395 -5.977 23 2HB ARG 8 2HB ARG 8 -12.226 9.801 -5.790 24 1HG ARG 8 1HG ARG 8 -13.860 11.197 -6.527 25 2HG ARG 8 2HG ARG 8 -14.112 10.241 -7.974 26 1HD ARG 8 1HD ARG 8 -15.306 8.583 -6.176 27 2HD ARG 8 2HD ARG 8 -15.540 10.101 -5.332 28 HE ARG 8 HE ARG 8 -16.757 9.313 -7.899 29 1HH1 ARG 8 1HH1 ARG 8 -16.054 11.950 -5.677 30 2HH1 ARG 8 2HH1 ARG 8 -17.294 12.982 -6.308 31 1HH2 ARG 8 1HH2 ARG 8 -18.392 10.674 -8.732 32 2HH2 ARG 8 2HH2 ARG 8 -18.633 12.251 -8.057 33 H LEU 9 H LEU 9 -10.756 10.709 -6.480 34 HA LEU 9 HA LEU 9 -8.202 10.324 -7.239 35 1HB LEU 9 1HB LEU 9 -7.649 11.749 -5.585 36 2HB LEU 9 2HB LEU 9 -9.382 12.004 -5.602 37 HG LEU 9 HG LEU 9 -8.244 9.945 -3.742 38 1HD1 LEU 9 1HD1 LEU 9 -7.614 11.485 -2.093 39 2HD1 LEU 9 2HD1 LEU 9 -6.893 12.116 -3.593 40 3HD1 LEU 9 3HD1 LEU 9 -8.378 12.850 -2.943 41 1HD2 LEU 9 1HD2 LEU 9 -10.180 11.289 -2.392 42 2HD2 LEU 9 2HD2 LEU 9 -10.751 11.469 -4.068 43 3HD2 LEU 9 3HD2 LEU 9 -10.463 9.847 -3.396 44 H GLU 10 H GLU 10 -10.006 8.496 -4.712 45 HA GLU 10 HA GLU 10 -8.074 7.122 -3.529 46 1HB GLU 10 1HB GLU 10 -10.733 6.925 -3.495 47 2HB GLU 10 2HB GLU 10 -10.444 5.550 -4.542 48 1HG GLU 10 1HG GLU 10 -8.875 4.590 -2.835 49 2HG GLU 10 2HG GLU 10 -9.189 5.958 -1.786 50 H ASN 11 H ASN 11 -9.761 5.778 -6.467 51 HA ASN 11 HA ASN 11 -8.123 3.714 -6.922 52 1HB ASN 11 1HB ASN 11 -10.149 4.163 -8.268 53 2HB ASN 11 2HB ASN 11 -9.414 5.591 -8.969 54 1HD2 ASN 11 1HD2 ASN 11 -7.889 5.427 -10.559 55 2HD2 ASN 11 2HD2 ASN 11 -7.518 3.960 -11.402 56 H ASP 12 H ASP 12 -7.615 7.191 -7.615 57 HA ASP 12 HA ASP 12 -5.522 6.968 -9.382 58 1HB ASP 12 1HB ASP 12 -6.914 9.026 -8.205 59 2HB ASP 12 2HB ASP 12 -5.388 9.165 -7.354 60 H ILE 13 H ILE 13 -5.627 7.239 -5.760 61 HA ILE 13 HA ILE 13 -2.864 7.272 -5.364 62 HB ILE 13 HB ILE 13 -5.093 6.332 -3.555 63 1HG1 ILE 13 1HG1 ILE 13 -3.958 8.932 -2.963 64 2HG1 ILE 13 2HG1 ILE 13 -4.569 8.892 -4.605 65 1HG2 ILE 13 1HG2 ILE 13 -3.603 6.580 -1.720 66 2HG2 ILE 13 2HG2 ILE 13 -2.778 5.564 -2.927 67 3HG2 ILE 13 3HG2 ILE 13 -2.334 7.279 -2.755 68 1HD1 ILE 13 1HD1 ILE 13 -6.297 7.650 -2.483 69 2HD1 ILE 13 2HD1 ILE 13 -6.168 9.425 -2.506 70 3HD1 ILE 13 3HD1 ILE 13 -6.766 8.557 -3.941 71 H ILE 14 H ILE 14 -5.249 4.594 -5.666 72 HA ILE 14 HA ILE 14 -3.503 2.545 -4.935 73 HB ILE 14 HB ILE 14 -6.090 2.789 -6.370 74 1HG1 ILE 14 1HG1 ILE 14 -6.837 1.279 -4.621 75 2HG1 ILE 14 2HG1 ILE 14 -5.191 1.016 -4.081 76 1HG2 ILE 14 1HG2 ILE 14 -5.344 1.223 -7.868 77 2HG2 ILE 14 2HG2 ILE 14 -4.192 0.502 -6.720 78 3HG2 ILE 14 3HG2 ILE 14 -5.933 0.168 -6.561 79 1HD1 ILE 14 1HD1 ILE 14 -6.286 3.838 -4.209 80 2HD1 ILE 14 2HD1 ILE 14 -6.686 2.785 -2.831 81 3HD1 ILE 14 3HD1 ILE 14 -4.987 3.186 -3.181 82 H ARG 15 H ARG 15 -4.251 4.058 -8.131 83 HA ARG 15 HA ARG 15 -2.615 2.317 -9.552 84 1HB ARG 15 1HB ARG 15 -4.309 3.600 -10.726 85 2HB ARG 15 2HB ARG 15 -3.672 5.121 -10.131 86 1HG ARG 15 1HG ARG 15 -1.604 4.820 -11.453 87 2HG ARG 15 2HG ARG 15 -2.131 3.231 -11.972 88 1HD ARG 15 1HD ARG 15 -4.306 4.754 -12.727 89 2HD ARG 15 2HD ARG 15 -3.014 5.922 -12.918 90 HE ARG 15 HE ARG 15 -2.097 3.517 -14.096 91 1HH1 ARG 15 1HH1 ARG 15 -4.674 5.858 -14.610 92 2HH1 ARG 15 2HH1 ARG 15 -4.761 5.578 -16.317 93 1HH2 ARG 15 1HH2 ARG 15 -2.212 3.148 -16.349 94 2HH2 ARG 15 2HH2 ARG 15 -3.352 4.026 -17.313 95 H LEU 16 H LEU 16 -1.997 5.149 -7.559 96 HA LEU 16 HA LEU 16 0.403 5.995 -8.731 97 1HB LEU 16 1HB LEU 16 -1.172 6.525 -6.345 98 2HB LEU 16 2HB LEU 16 0.548 6.573 -6.012 99 HG LEU 16 HG LEU 16 0.459 8.067 -8.284 100 1HD1 LEU 16 1HD1 LEU 16 -2.251 8.196 -7.029 101 2HD1 LEU 16 2HD1 LEU 16 -1.533 9.691 -7.674 102 3HD1 LEU 16 3HD1 LEU 16 -1.772 8.286 -8.741 103 1HD2 LEU 16 1HD2 LEU 16 0.535 8.619 -5.383 104 2HD2 LEU 16 2HD2 LEU 16 1.640 9.120 -6.686 105 3HD2 LEU 16 3HD2 LEU 16 0.120 10.008 -6.416 106 H ILE 17 H ILE 17 -0.131 3.995 -5.737 107 HA ILE 17 HA ILE 17 2.500 3.312 -5.359 108 HB ILE 17 HB ILE 17 -0.137 2.261 -4.552 109 1HG1 ILE 17 1HG1 ILE 17 0.932 3.945 -3.212 110 2HG1 ILE 17 2HG1 ILE 17 0.904 2.441 -2.313 111 1HG2 ILE 17 1HG2 ILE 17 0.922 0.293 -3.419 112 2HG2 ILE 17 2HG2 ILE 17 0.805 0.162 -5.190 113 3HG2 ILE 17 3HG2 ILE 17 2.364 0.561 -4.428 114 1HD1 ILE 17 1HD1 ILE 17 3.315 2.174 -3.582 115 2HD1 ILE 17 2HD1 ILE 17 3.227 3.945 -3.425 116 3HD1 ILE 17 3HD1 ILE 17 3.124 2.916 -1.976 117 H ASN 18 H ASN 18 0.092 2.015 -7.647 118 HA ASN 18 HA ASN 18 1.458 -0.301 -8.287 119 1HB ASN 18 1HB ASN 18 -0.907 0.203 -8.960 120 2HB ASN 18 2HB ASN 18 -0.336 1.452 -10.048 121 1HD2 ASN 18 1HD2 ASN 18 -1.458 0.260 -11.682 122 2HD2 ASN 18 2HD2 ASN 18 -0.714 -1.093 -12.468 123 H ARG 19 H ARG 19 1.373 2.996 -9.836 124 HA ARG 19 HA ARG 19 3.003 2.549 -11.921 125 1HB ARG 19 1HB ARG 19 1.799 4.710 -11.306 126 2HB ARG 19 2HB ARG 19 3.077 5.048 -10.157 127 1HG ARG 19 1HG ARG 19 3.757 4.458 -13.056 128 2HG ARG 19 2HG ARG 19 3.225 6.061 -12.589 129 1HD ARG 19 1HD ARG 19 5.180 5.307 -10.650 130 2HD ARG 19 2HD ARG 19 5.836 4.814 -12.199 131 HE ARG 19 HE ARG 19 6.034 7.068 -12.822 132 1HH1 ARG 19 1HH1 ARG 19 3.956 6.811 -9.993 133 2HH1 ARG 19 2HH1 ARG 19 3.893 8.521 -9.725 134 1HH2 ARG 19 1HH2 ARG 19 5.951 9.325 -12.469 135 2HH2 ARG 19 2HH2 ARG 19 5.035 9.961 -11.143 136 H THR 20 H THR 20 3.831 2.807 -8.476 137 HA THR 20 HA THR 20 6.634 3.197 -8.905 138 HB THR 20 HB THR 20 4.701 3.201 -6.736 139 HG1 THR 20 HG1 THR 20 6.143 4.867 -6.542 140 1HG2 THR 20 1HG2 THR 20 6.400 2.319 -5.011 141 2HG2 THR 20 2HG2 THR 20 5.549 1.063 -5.942 142 3HG2 THR 20 3HG2 THR 20 7.221 1.506 -6.366 143 H VAL 21 H VAL 21 4.748 0.386 -7.587 144 HA VAL 21 HA VAL 21 6.685 -1.440 -7.428 145 HB VAL 21 HB VAL 21 3.926 -1.839 -8.602 146 1HG1 VAL 21 1HG1 VAL 21 5.617 -3.741 -8.876 147 2HG1 VAL 21 2HG1 VAL 21 5.566 -3.894 -7.104 148 3HG1 VAL 21 3HG1 VAL 21 4.084 -4.134 -8.061 149 1HG2 VAL 21 1HG2 VAL 21 3.534 -2.578 -6.122 150 2HG2 VAL 21 2HG2 VAL 21 4.962 -1.570 -5.790 151 3HG2 VAL 21 3HG2 VAL 21 3.519 -0.849 -6.543 152 H ILE 22 H ILE 22 5.385 -0.004 -10.401 153 HA ILE 22 HA ILE 22 6.509 -1.953 -12.134 154 HB ILE 22 HB ILE 22 5.479 0.848 -12.582 155 1HG1 ILE 22 1HG1 ILE 22 3.749 -0.647 -11.819 156 2HG1 ILE 22 2HG1 ILE 22 3.519 -0.320 -13.525 157 1HG2 ILE 22 1HG2 ILE 22 7.188 0.074 -14.279 158 2HG2 ILE 22 2HG2 ILE 22 6.043 -1.217 -14.717 159 3HG2 ILE 22 3HG2 ILE 22 5.581 0.490 -14.921 160 1HD1 ILE 22 1HD1 ILE 22 4.062 -2.871 -12.179 161 2HD1 ILE 22 2HD1 ILE 22 3.443 -2.569 -13.820 162 3HD1 ILE 22 3HD1 ILE 22 5.197 -2.573 -13.517 163 H HIS 23 H HIS 23 8.684 -2.324 -11.916 164 HA HIS 23 HA HIS 23 10.792 -1.877 -12.549 165 1HB HIS 23 1HB HIS 23 9.681 0.304 -13.638 166 2HB HIS 23 2HB HIS 23 10.554 1.090 -12.338 167 HD1 HIS 23 HD1 HIS 23 12.356 2.194 -13.775 168 HD2 HIS 23 HD2 HIS 23 12.104 -1.956 -14.335 169 HE1 HIS 23 HE1 HIS 23 14.384 1.537 -15.178 170 HE2 HIS 23 HE2 HIS 23 14.204 -1.030 -15.443 171 H GLU 24 H GLU 24 9.000 -0.972 -9.836 172 HA GLU 24 HA GLU 24 11.464 -0.557 -8.328 173 1HB GLU 24 1HB GLU 24 8.665 0.351 -7.533 174 2HB GLU 24 2HB GLU 24 10.160 0.722 -6.696 175 1HG GLU 24 1HG GLU 24 9.458 1.591 -9.541 176 2HG GLU 24 2HG GLU 24 9.417 2.622 -8.124 177 H ILE 25 H ILE 25 10.823 -1.137 -5.787 178 HA ILE 25 HA ILE 25 10.350 -2.730 -4.329 179 HB ILE 25 HB ILE 25 8.444 -3.976 -6.297 180 1HG1 ILE 25 1HG1 ILE 25 8.131 -1.480 -6.174 181 2HG1 ILE 25 2HG1 ILE 25 6.743 -2.441 -5.705 182 1HG2 ILE 25 1HG2 ILE 25 9.153 -4.915 -3.916 183 2HG2 ILE 25 2HG2 ILE 25 7.936 -3.739 -3.367 184 3HG2 ILE 25 3HG2 ILE 25 7.480 -5.020 -4.515 185 1HD1 ILE 25 1HD1 ILE 25 7.386 -0.448 -4.174 186 2HD1 ILE 25 2HD1 ILE 25 7.066 -2.010 -3.382 187 3HD1 ILE 25 3HD1 ILE 25 8.742 -1.466 -3.633 188 H TYR 26 H TYR 26 12.499 -3.507 -4.427 189 HA TYR 26 HA TYR 26 13.743 -4.978 -6.258 190 1HB TYR 26 1HB TYR 26 13.544 -4.877 -3.255 191 2HB TYR 26 2HB TYR 26 14.314 -6.329 -3.864 192 HD1 TYR 26 HD1 TYR 26 14.530 -2.620 -3.821 193 HD2 TYR 26 HD2 TYR 26 16.550 -6.287 -4.702 194 HE1 TYR 26 HE1 TYR 26 16.725 -1.360 -4.067 195 HE2 TYR 26 HE2 TYR 26 18.738 -5.015 -4.944 196 HH TYR 26 HH TYR 26 18.809 -1.480 -4.655 197 H ASN 27 H ASN 27 13.364 -6.804 -7.404 198 HA ASN 27 HA ASN 27 12.586 -8.738 -7.996 199 1HB ASN 27 1HB ASN 27 13.708 -9.763 -6.109 200 2HB ASN 27 2HB ASN 27 12.519 -9.156 -4.973 201 1HD2 ASN 27 1HD2 ASN 27 12.105 -11.196 -4.171 202 2HD2 ASN 27 2HD2 ASN 27 11.180 -12.387 -5.023 203 H GLU 28 H GLU 28 10.604 -8.052 -8.987 204 HA GLU 28 HA GLU 28 8.431 -7.017 -7.953 205 1HB GLU 28 1HB GLU 28 8.730 -7.609 -10.348 206 2HB GLU 28 2HB GLU 28 8.451 -9.300 -9.978 207 1HG GLU 28 1HG GLU 28 6.285 -7.712 -8.862 208 2HG GLU 28 2HG GLU 28 6.497 -7.286 -10.548 209 H THR 29 H THR 29 6.999 -7.465 -6.335 210 HA THR 29 HA THR 29 6.264 -10.233 -5.842 211 HB THR 29 HB THR 29 8.040 -8.562 -4.101 212 HG1 THR 29 HG1 THR 29 8.906 -10.547 -4.632 213 1HG2 THR 29 1HG2 THR 29 7.106 -10.095 -2.150 214 2HG2 THR 29 2HG2 THR 29 6.296 -8.547 -2.488 215 3HG2 THR 29 3HG2 THR 29 5.598 -10.067 -3.096 216 H VAL 30 H VAL 30 5.972 -7.010 -4.197 217 HA VAL 30 HA VAL 30 3.354 -7.385 -3.420 218 HB VAL 30 HB VAL 30 3.315 -5.008 -3.057 219 1HG1 VAL 30 1HG1 VAL 30 6.147 -5.976 -2.558 220 2HG1 VAL 30 2HG1 VAL 30 5.228 -4.771 -1.625 221 3HG1 VAL 30 3HG1 VAL 30 4.736 -6.481 -1.597 222 1HG2 VAL 30 1HG2 VAL 30 4.195 -3.620 -4.566 223 2HG2 VAL 30 2HG2 VAL 30 5.812 -4.071 -3.972 224 3HG2 VAL 30 3HG2 VAL 30 5.089 -4.951 -5.340 225 H LYS 31 H LYS 31 4.689 -6.892 -6.589 226 HA LYS 31 HA LYS 31 2.599 -5.527 -7.814 227 1HB LYS 31 1HB LYS 31 4.947 -6.076 -8.684 228 2HB LYS 31 2HB LYS 31 4.308 -7.645 -9.131 229 1HG LYS 31 1HG LYS 31 2.357 -5.970 -10.154 230 2HG LYS 31 2HG LYS 31 3.786 -4.972 -10.340 231 1HD LYS 31 1HD LYS 31 4.302 -6.157 -12.203 232 2HD LYS 31 2HD LYS 31 4.611 -7.546 -11.181 233 1HE LYS 31 1HE LYS 31 2.879 -8.584 -12.223 234 2HE LYS 31 2HE LYS 31 1.803 -7.488 -11.378 235 1HZ LYS 31 1HZ LYS 31 2.514 -7.519 -14.108 236 2HZ LYS 31 2HZ LYS 31 1.282 -6.740 -13.371 237 3HZ LYS 31 3HZ LYS 31 2.754 -6.038 -13.462 238 H THR 32 H THR 32 2.688 -8.645 -6.345 239 HA THR 32 HA THR 32 0.478 -9.628 -7.986 240 HB THR 32 HB THR 32 2.441 -11.107 -7.452 241 HG1 THR 32 HG1 THR 32 0.116 -11.832 -7.624 242 1HG2 THR 32 1HG2 THR 32 3.243 -11.309 -5.323 243 2HG2 THR 32 2HG2 THR 32 2.116 -10.027 -4.818 244 3HG2 THR 32 3HG2 THR 32 1.620 -11.734 -4.729 245 H GLY 33 H GLY 33 1.191 -8.184 -4.840 246 1HA GLY 33 1HA GLY 33 -0.766 -8.910 -3.186 247 2HA GLY 33 2HA GLY 33 -0.296 -7.236 -3.403 248 H HIS 34 H HIS 34 -1.569 -5.813 -4.720 249 HA HIS 34 HA HIS 34 -3.318 -5.147 -5.912 250 1HB HIS 34 1HB HIS 34 -3.213 -7.793 -6.685 251 2HB HIS 34 2HB HIS 34 -4.837 -7.663 -6.039 252 HD1 HIS 34 HD1 HIS 34 -2.649 -6.436 -8.846 253 HD2 HIS 34 HD2 HIS 34 -6.605 -6.013 -7.518 254 HE1 HIS 34 HE1 HIS 34 -3.930 -5.330 -10.756 255 HE2 HIS 34 HE2 HIS 34 -6.366 -5.147 -9.902 256 H VAL 35 H VAL 35 -3.845 -3.937 -4.009 257 HA VAL 35 HA VAL 35 -5.293 -5.048 -1.877 258 HB VAL 35 HB VAL 35 -5.354 -2.159 -2.721 259 1HG1 VAL 35 1HG1 VAL 35 -6.465 -2.065 -0.771 260 2HG1 VAL 35 2HG1 VAL 35 -5.946 -3.698 -0.290 261 3HG1 VAL 35 3HG1 VAL 35 -4.875 -2.304 -0.008 262 1HG2 VAL 35 1HG2 VAL 35 -3.190 -2.069 -1.242 263 2HG2 VAL 35 2HG2 VAL 35 -3.023 -3.775 -1.721 264 3HG2 VAL 35 3HG2 VAL 35 -3.075 -2.503 -2.965 265 H THR 36 H THR 36 -7.564 -4.581 -1.278 266 HA THR 36 HA THR 36 -9.279 -4.104 -3.613 267 HB THR 36 HB THR 36 -9.377 -6.466 -3.510 268 HG1 THR 36 HG1 THR 36 -11.523 -5.729 -3.180 269 1HG2 THR 36 1HG2 THR 36 -9.828 -7.433 -1.017 270 2HG2 THR 36 2HG2 THR 36 -8.180 -7.270 -1.669 271 3HG2 THR 36 3HG2 THR 36 -8.832 -6.025 -0.577 272 H HIS 37 H HIS 37 -8.244 -2.848 -0.836 273 HA HIS 37 HA HIS 37 -10.832 -1.646 -0.352 274 1HB HIS 37 1HB HIS 37 -10.124 -3.709 1.257 275 2HB HIS 37 2HB HIS 37 -9.353 -2.389 2.113 276 HD1 HIS 37 HD1 HIS 37 -11.432 -3.472 3.786 277 HD2 HIS 37 HD2 HIS 37 -12.419 -0.797 0.709 278 HE1 HIS 37 HE1 HIS 37 -13.718 -2.509 4.382 279 HE2 HIS 37 HE2 HIS 37 -14.247 -0.832 2.483 280 H VAL 38 H VAL 38 -7.479 -1.784 1.063 281 HA VAL 38 HA VAL 38 -6.181 -0.098 1.758 282 HB VAL 38 HB VAL 38 -5.445 -0.373 -0.475 283 1HG1 VAL 38 1HG1 VAL 38 -7.746 1.423 -1.314 284 2HG1 VAL 38 2HG1 VAL 38 -6.450 0.848 -2.390 285 3HG1 VAL 38 3HG1 VAL 38 -7.573 -0.317 -1.647 286 1HG2 VAL 38 1HG2 VAL 38 -5.688 2.424 0.541 287 2HG2 VAL 38 2HG2 VAL 38 -4.241 1.430 0.249 288 3HG2 VAL 38 3HG2 VAL 38 -5.084 2.197 -1.117 289 H LYS 39 H LYS 39 -7.374 0.872 3.444 290 HA LYS 39 HA LYS 39 -9.328 2.872 2.789 291 1HB LYS 39 1HB LYS 39 -8.803 1.190 4.972 292 2HB LYS 39 2HB LYS 39 -8.469 2.804 5.567 293 1HG LYS 39 1HG LYS 39 -11.037 1.897 4.182 294 2HG LYS 39 2HG LYS 39 -10.855 2.240 5.891 295 1HD LYS 39 1HD LYS 39 -10.433 4.280 3.655 296 2HD LYS 39 2HD LYS 39 -11.891 4.144 4.617 297 1HE LYS 39 1HE LYS 39 -9.123 4.664 5.802 298 2HE LYS 39 2HE LYS 39 -10.269 5.932 5.417 299 1HZ LYS 39 1HZ LYS 39 -11.580 5.356 7.129 300 2HZ LYS 39 2HZ LYS 39 -11.254 3.758 7.040 301 3HZ LYS 39 3HZ LYS 39 -10.188 4.770 7.751 302 H LEU 40 H LEU 40 -9.009 5.035 2.571 303 HA LEU 40 HA LEU 40 -6.270 5.958 2.860 304 1HB LEU 40 1HB LEU 40 -8.660 6.739 1.311 305 2HB LEU 40 2HB LEU 40 -7.663 8.066 1.873 306 HG LEU 40 HG LEU 40 -7.182 7.171 -0.450 307 1HD1 LEU 40 1HD1 LEU 40 -4.565 6.888 0.713 308 2HD1 LEU 40 2HD1 LEU 40 -5.256 8.243 -0.212 309 3HD1 LEU 40 3HD1 LEU 40 -5.470 8.170 1.554 310 1HD2 LEU 40 1HD2 LEU 40 -5.835 4.908 1.044 311 2HD2 LEU 40 2HD2 LEU 40 -7.384 4.764 0.179 312 3HD2 LEU 40 3HD2 LEU 40 -5.899 5.165 -0.716 313 H SER 41 H SER 41 -5.618 6.778 4.769 314 HA SER 41 HA SER 41 -7.634 7.704 6.589 315 1HB SER 41 1HB SER 41 -5.073 6.492 6.824 316 2HB SER 41 2HB SER 41 -4.890 8.098 7.501 317 HG SER 41 HG SER 41 -6.460 5.916 8.406 318 H ASP 42 H ASP 42 -8.354 9.792 6.347 319 HA ASP 42 HA ASP 42 -8.203 11.986 6.468 320 1HB ASP 42 1HB ASP 42 -5.607 11.392 7.147 321 2HB ASP 42 2HB ASP 42 -5.339 12.236 5.635 322 H ASP 43 H ASP 43 -5.558 11.052 4.130 323 HA ASP 43 HA ASP 43 -7.221 11.371 1.896 324 1HB ASP 43 1HB ASP 43 -6.477 13.803 2.827 325 2HB ASP 43 2HB ASP 43 -5.026 13.435 1.916 326 H LEU 44 H LEU 44 -3.816 11.864 3.104 327 HA LEU 44 HA LEU 44 -2.952 9.599 1.534 328 1HB LEU 44 1HB LEU 44 -1.408 12.124 1.134 329 2HB LEU 44 2HB LEU 44 -1.443 10.666 0.163 330 HG LEU 44 HG LEU 44 -3.851 12.474 0.352 331 1HD1 LEU 44 1HD1 LEU 44 -2.097 13.951 -0.333 332 2HD1 LEU 44 2HD1 LEU 44 -1.478 12.763 -1.506 333 3HD1 LEU 44 3HD1 LEU 44 -3.061 13.533 -1.769 334 1HD2 LEU 44 1HD2 LEU 44 -3.578 9.993 -0.731 335 2HD2 LEU 44 2HD2 LEU 44 -4.757 11.213 -1.270 336 3HD2 LEU 44 3HD2 LEU 44 -3.213 11.024 -2.136 337 H LEU 45 H LEU 45 -3.317 10.674 4.413 338 HA LEU 45 HA LEU 45 -0.642 10.941 5.376 339 1HB LEU 45 1HB LEU 45 -3.297 11.349 6.330 340 2HB LEU 45 2HB LEU 45 -2.486 10.264 7.441 341 HG LEU 45 HG LEU 45 -1.490 12.998 6.592 342 1HD1 LEU 45 1HD1 LEU 45 -2.932 13.753 8.110 343 2HD1 LEU 45 2HD1 LEU 45 -3.296 12.113 8.700 344 3HD1 LEU 45 3HD1 LEU 45 -1.888 12.996 9.337 345 1HD2 LEU 45 1HD2 LEU 45 0.313 12.738 8.127 346 2HD2 LEU 45 2HD2 LEU 45 -0.333 11.191 8.725 347 3HD2 LEU 45 3HD2 LEU 45 0.305 11.308 7.068 348 H HIS 46 H HIS 46 -3.220 8.410 5.817 349 HA HIS 46 HA HIS 46 -1.028 6.474 5.948 350 1HB HIS 46 1HB HIS 46 -3.371 6.838 7.794 351 2HB HIS 46 2HB HIS 46 -2.712 5.235 7.539 352 HD1 HIS 46 HD1 HIS 46 -1.186 4.656 9.418 353 HD2 HIS 46 HD2 HIS 46 -0.857 8.692 8.323 354 HE1 HIS 46 HE1 HIS 46 0.613 5.660 10.923 355 HE2 HIS 46 HE2 HIS 46 0.810 8.127 10.166 356 H VAL 47 H VAL 47 -1.450 4.418 4.987 357 HA VAL 47 HA VAL 47 -3.991 4.253 3.538 358 HB VAL 47 HB VAL 47 -1.342 3.505 2.313 359 1HG1 VAL 47 1HG1 VAL 47 -3.917 2.897 1.575 360 2HG1 VAL 47 2HG1 VAL 47 -3.592 4.359 0.614 361 3HG1 VAL 47 3HG1 VAL 47 -2.518 2.946 0.476 362 1HG2 VAL 47 1HG2 VAL 47 -2.811 6.129 1.895 363 2HG2 VAL 47 2HG2 VAL 47 -1.351 5.936 2.895 364 3HG2 VAL 47 3HG2 VAL 47 -1.279 5.617 1.145 365 H THR 48 H THR 48 -4.894 2.660 4.827 366 HA THR 48 HA THR 48 -3.289 0.424 5.676 367 HB THR 48 HB THR 48 -6.244 1.185 5.924 368 HG1 THR 48 HG1 THR 48 -5.435 1.730 8.048 369 1HG2 THR 48 1HG2 THR 48 -6.658 -0.820 6.944 370 2HG2 THR 48 2HG2 THR 48 -5.110 -1.397 6.282 371 3HG2 THR 48 3HG2 THR 48 -5.170 -0.684 7.912 372 H VAL 49 H VAL 49 -2.524 -0.429 3.666 373 HA VAL 49 HA VAL 49 -4.466 -1.341 1.764 374 HB VAL 49 HB VAL 49 -2.503 -2.240 0.609 375 1HG1 VAL 49 1HG1 VAL 49 -1.199 0.052 0.559 376 2HG1 VAL 49 2HG1 VAL 49 -2.865 -0.060 -0.058 377 3HG1 VAL 49 3HG1 VAL 49 -2.560 0.605 1.564 378 1HG2 VAL 49 1HG2 VAL 49 -1.328 -2.117 3.226 379 2HG2 VAL 49 2HG2 VAL 49 -0.673 -2.834 1.733 380 3HG2 VAL 49 3HG2 VAL 49 -0.364 -1.122 2.109 381 H TYR 50 H TYR 50 -5.746 -3.062 2.192 382 HA TYR 50 HA TYR 50 -5.133 -4.929 4.211 383 1HB TYR 50 1HB TYR 50 -7.063 -4.642 1.849 384 2HB TYR 50 2HB TYR 50 -7.086 -6.116 2.796 385 HD1 TYR 50 HD1 TYR 50 -6.659 -2.563 3.911 386 HD2 TYR 50 HD2 TYR 50 -9.095 -6.079 3.988 387 HE1 TYR 50 HE1 TYR 50 -8.210 -1.461 5.598 388 HE2 TYR 50 HE2 TYR 50 -10.637 -4.966 5.674 389 HH TYR 50 HH TYR 50 -9.861 -2.534 7.493 390 H LEU 51 H LEU 51 -4.426 -4.746 0.739 391 HA LEU 51 HA LEU 51 -3.262 -6.051 -0.606 392 1HB LEU 51 1HB LEU 51 -2.148 -6.595 2.044 393 2HB LEU 51 2HB LEU 51 -1.896 -7.905 0.908 394 HG LEU 51 HG LEU 51 -1.005 -5.028 0.618 395 1HD1 LEU 51 1HD1 LEU 51 0.515 -6.128 2.011 396 2HD1 LEU 51 2HD1 LEU 51 0.418 -7.644 1.083 397 3HD1 LEU 51 3HD1 LEU 51 1.253 -6.231 0.394 398 1HD2 LEU 51 1HD2 LEU 51 -1.391 -5.359 -1.582 399 2HD2 LEU 51 2HD2 LEU 51 0.153 -6.239 -1.491 400 3HD2 LEU 51 3HD2 LEU 51 -1.385 -7.133 -1.435 401 H ASP 52 H ASP 52 -3.703 -7.836 -1.886 402 HA ASP 52 HA ASP 52 -5.010 -10.071 -0.654 403 1HB ASP 52 1HB ASP 52 -6.968 -8.748 -1.118 404 2HB ASP 52 2HB ASP 52 -6.346 -8.230 -2.673 405 H CYS 53 H CYS 53 -2.785 -10.810 -1.484 406 HA CYS 53 HA CYS 53 -2.272 -10.753 -4.258 407 1HB CYS 53 1HB CYS 53 -0.363 -12.129 -3.762 408 2HB CYS 53 2HB CYS 53 -0.505 -10.910 -2.510 409 HG CYS 53 HG CYS 53 -0.210 -12.555 -0.817 410 H TYR 54 H TYR 54 -1.412 -13.705 -4.247 411 HA TYR 54 HA TYR 54 -3.398 -14.817 -5.685 412 1HB TYR 54 1HB TYR 54 -1.134 -15.663 -3.909 413 2HB TYR 54 2HB TYR 54 -2.325 -16.927 -4.141 414 HD1 TYR 54 HD1 TYR 54 -0.934 -14.329 -6.472 415 HD2 TYR 54 HD2 TYR 54 -1.495 -18.489 -5.643 416 HE1 TYR 54 HE1 TYR 54 0.122 -14.924 -8.706 417 HE2 TYR 54 HE2 TYR 54 -0.437 -19.070 -7.880 418 HH TYR 54 HH TYR 54 -0.257 -17.636 -10.212 419 H ASN 55 H ASN 55 -2.880 -15.608 -2.169 420 HA ASN 55 HA ASN 55 -5.629 -15.336 -1.640 421 1HB ASN 55 1HB ASN 55 -4.966 -17.807 -2.765 422 2HB ASN 55 2HB ASN 55 -4.854 -18.151 -1.051 423 1HD2 ASN 55 1HD2 ASN 55 -6.636 -19.444 -0.985 424 2HD2 ASN 55 2HD2 ASN 55 -8.263 -18.872 -1.148 425 H ARG 56 H ARG 56 -3.045 -14.370 -0.644 426 HA ARG 56 HA ARG 56 -2.238 -13.856 1.316 427 1HB ARG 56 1HB ARG 56 -4.624 -15.124 2.114 428 2HB ARG 56 2HB ARG 56 -3.392 -15.975 3.024 429 1HG ARG 56 1HG ARG 56 -3.461 -14.242 4.494 430 2HG ARG 56 2HG ARG 56 -2.593 -13.313 3.288 431 1HD ARG 56 1HD ARG 56 -4.393 -11.898 3.393 432 2HD ARG 56 2HD ARG 56 -5.167 -13.064 2.338 433 HE ARG 56 HE ARG 56 -5.631 -14.088 4.876 434 1HH1 ARG 56 1HH1 ARG 56 -6.235 -10.984 3.333 435 2HH1 ARG 56 2HH1 ARG 56 -7.629 -10.630 4.299 436 1HH2 ARG 56 1HH2 ARG 56 -7.470 -13.622 6.151 437 2HH2 ARG 56 2HH2 ARG 56 -8.336 -12.141 5.912 438 H GLU 57 H GLU 57 -1.932 -16.690 -0.377 439 HA GLU 57 HA GLU 57 -0.262 -18.093 1.462 440 1HB GLU 57 1HB GLU 57 -0.012 -19.727 -0.338 441 2HB GLU 57 2HB GLU 57 -1.699 -19.273 -0.202 442 1HG GLU 57 1HG GLU 57 -1.710 -18.609 -2.367 443 2HG GLU 57 2HG GLU 57 -0.479 -17.411 -2.018 444 H GLN 58 H GLN 58 0.091 -15.408 -0.624 445 HA GLN 58 HA GLN 58 2.969 -15.887 -0.716 446 1HB GLN 58 1HB GLN 58 1.534 -15.771 -2.947 447 2HB GLN 58 2HB GLN 58 1.588 -14.041 -2.671 448 1HG GLN 58 1HG GLN 58 3.594 -14.108 -3.756 449 2HG GLN 58 2HG GLN 58 4.235 -14.728 -2.248 450 1HE2 GLN 58 1HE2 GLN 58 2.774 -15.650 -5.329 451 2HE2 GLN 58 2HE2 GLN 58 3.519 -17.207 -5.483 452 H ILE 59 H ILE 59 0.477 -14.158 0.730 453 HA ILE 59 HA ILE 59 1.184 -11.536 0.709 454 HB ILE 59 HB ILE 59 -0.560 -13.140 2.093 455 1HG1 ILE 59 1HG1 ILE 59 -1.117 -10.791 3.206 456 2HG1 ILE 59 2HG1 ILE 59 0.052 -10.210 2.038 457 1HG2 ILE 59 1HG2 ILE 59 0.941 -13.640 3.881 458 2HG2 ILE 59 2HG2 ILE 59 1.395 -11.929 4.061 459 3HG2 ILE 59 3HG2 ILE 59 -0.249 -12.463 4.486 460 1HD1 ILE 59 1HD1 ILE 59 -1.531 -10.307 0.426 461 2HD1 ILE 59 2HD1 ILE 59 -1.639 -12.069 0.656 462 3HD1 ILE 59 3HD1 ILE 59 -2.692 -10.983 1.594 463 H ASP 60 H ASP 60 2.517 -14.122 2.880 464 HA ASP 60 HA ASP 60 4.146 -12.738 4.414 465 1HB ASP 60 1HB ASP 60 4.761 -15.298 2.874 466 2HB ASP 60 2HB ASP 60 5.814 -14.694 4.138 467 H ARG 61 H ARG 61 4.575 -13.465 0.919 468 HA ARG 61 HA ARG 61 7.200 -12.385 0.872 469 1HB ARG 61 1HB ARG 61 5.339 -13.011 -1.475 470 2HB ARG 61 2HB ARG 61 7.077 -12.806 -1.562 471 1HG ARG 61 1HG ARG 61 5.921 -14.906 0.292 472 2HG ARG 61 2HG ARG 61 6.029 -15.242 -1.424 473 1HD ARG 61 1HD ARG 61 8.543 -14.082 -0.549 474 2HD ARG 61 2HD ARG 61 8.124 -15.392 0.536 475 HE ARG 61 HE ARG 61 8.897 -15.641 -2.257 476 1HH1 ARG 61 1HH1 ARG 61 6.988 -17.142 0.289 477 2HH1 ARG 61 2HH1 ARG 61 7.059 -18.723 -0.415 478 1HH2 ARG 61 1HH2 ARG 61 8.991 -17.726 -3.186 479 2HH2 ARG 61 2HH2 ARG 61 8.206 -19.058 -2.405 480 H VAL 62 H VAL 62 3.881 -11.401 -0.182 481 HA VAL 62 HA VAL 62 4.672 -8.985 -1.377 482 HB VAL 62 HB VAL 62 2.017 -9.716 -0.127 483 1HG1 VAL 62 1HG1 VAL 62 1.783 -8.197 -2.536 484 2HG1 VAL 62 2HG1 VAL 62 1.301 -7.746 -0.883 485 3HG1 VAL 62 3HG1 VAL 62 2.940 -7.368 -1.468 486 1HG2 VAL 62 1HG2 VAL 62 1.448 -10.447 -2.496 487 2HG2 VAL 62 2HG2 VAL 62 3.196 -10.416 -2.828 488 3HG2 VAL 62 3HG2 VAL 62 2.545 -11.514 -1.588 489 H VAL 63 H VAL 63 2.958 -9.529 1.789 490 HA VAL 63 HA VAL 63 3.198 -6.991 2.749 491 HB VAL 63 HB VAL 63 3.235 -9.667 4.143 492 1HG1 VAL 63 1HG1 VAL 63 4.257 -7.792 5.522 493 2HG1 VAL 63 2HG1 VAL 63 2.660 -7.007 5.473 494 3HG1 VAL 63 3HG1 VAL 63 2.843 -8.606 6.234 495 1HG2 VAL 63 1HG2 VAL 63 0.859 -8.173 4.608 496 2HG2 VAL 63 2HG2 VAL 63 1.200 -8.103 2.862 497 3HG2 VAL 63 3HG2 VAL 63 1.056 -9.678 3.678 498 H GLY 64 H GLY 64 5.585 -9.698 2.951 499 1HA GLY 64 1HA GLY 64 7.478 -8.401 4.541 500 2HA GLY 64 2HA GLY 64 7.784 -9.703 3.409 501 H ALA 65 H ALA 65 6.689 -8.131 1.067 502 HA ALA 65 HA ALA 65 9.146 -6.812 0.422 503 1HB ALA 65 1HB ALA 65 6.512 -7.239 -1.039 504 2HB ALA 65 2HB ALA 65 7.917 -6.416 -1.758 505 3HB ALA 65 3HB ALA 65 8.039 -8.123 -1.271 506 H PHE 66 H PHE 66 5.731 -5.876 1.123 507 HA PHE 66 HA PHE 66 5.937 -3.199 0.505 508 1HB PHE 66 1HB PHE 66 4.350 -5.011 2.333 509 2HB PHE 66 2HB PHE 66 4.228 -3.298 2.682 510 HD1 PHE 66 HD1 PHE 66 3.716 -5.821 0.018 511 HD2 PHE 66 HD2 PHE 66 2.855 -1.894 1.378 512 HE1 PHE 66 HE1 PHE 66 1.981 -5.579 -1.780 513 HE2 PHE 66 HE2 PHE 66 1.121 -1.652 -0.420 514 HZ PHE 66 HZ PHE 66 0.704 -3.497 -1.978 515 H ASN 67 H ASN 67 7.268 -5.022 3.221 516 HA ASN 67 HA ASN 67 7.452 -2.996 5.066 517 1HB ASN 67 1HB ASN 67 8.465 -5.670 4.716 518 2HB ASN 67 2HB ASN 67 9.836 -4.668 5.146 519 1HD2 ASN 67 1HD2 ASN 67 7.843 -6.698 6.459 520 2HD2 ASN 67 2HD2 ASN 67 7.534 -6.017 8.021 521 H GLN 68 H GLN 68 9.938 -4.243 2.698 522 HA GLN 68 HA GLN 68 11.644 -2.040 3.216 523 1HB GLN 68 1HB GLN 68 13.097 -3.052 1.517 524 2HB GLN 68 2HB GLN 68 12.508 -4.288 2.610 525 1HG GLN 68 1HG GLN 68 10.776 -4.965 0.982 526 2HG GLN 68 2HG GLN 68 11.228 -3.654 -0.090 527 1HE2 GLN 68 1HE2 GLN 68 13.588 -3.587 -0.701 528 2HE2 GLN 68 2HE2 GLN 68 14.353 -5.083 -1.121 529 H ALA 69 H ALA 69 8.997 -2.762 1.019 530 HA ALA 69 HA ALA 69 9.754 -0.774 -0.911 531 1HB ALA 69 1HB ALA 69 7.542 -2.749 -0.493 532 2HB ALA 69 2HB ALA 69 7.202 -1.336 -1.521 533 3HB ALA 69 3HB ALA 69 8.538 -2.437 -1.935 534 H LYS 70 H LYS 70 8.736 -0.593 2.254 535 HA LYS 70 HA LYS 70 6.633 1.253 2.115 536 1HB LYS 70 1HB LYS 70 7.298 -0.136 4.096 537 2HB LYS 70 2HB LYS 70 8.685 0.911 4.320 538 1HG LYS 70 1HG LYS 70 6.911 2.868 4.272 539 2HG LYS 70 2HG LYS 70 5.742 1.601 4.584 540 1HD LYS 70 1HD LYS 70 7.588 0.939 6.472 541 2HD LYS 70 2HD LYS 70 7.923 2.655 6.358 542 1HE LYS 70 1HE LYS 70 5.437 3.098 6.687 543 2HE LYS 70 2HE LYS 70 5.212 1.382 6.958 544 1HZ LYS 70 1HZ LYS 70 7.086 3.011 8.522 545 2HZ LYS 70 2HZ LYS 70 5.547 2.722 8.983 546 3HZ LYS 70 3HZ LYS 70 6.603 1.484 8.840 547 H GLY 71 H GLY 71 9.909 1.495 1.162 548 1HA GLY 71 1HA GLY 71 10.286 4.272 1.833 549 2HA GLY 71 2HA GLY 71 11.319 3.253 0.851 550 H VAL 72 H VAL 72 10.016 2.440 -1.306 551 HA VAL 72 HA VAL 72 9.775 4.695 -2.894 552 HB VAL 72 HB VAL 72 8.785 3.097 -4.536 553 1HG1 VAL 72 1HG1 VAL 72 11.364 2.620 -3.084 554 2HG1 VAL 72 2HG1 VAL 72 10.859 1.462 -4.339 555 3HG1 VAL 72 3HG1 VAL 72 11.075 3.181 -4.749 556 1HG2 VAL 72 1HG2 VAL 72 7.514 1.560 -3.338 557 2HG2 VAL 72 2HG2 VAL 72 8.974 0.622 -3.736 558 3HG2 VAL 72 3HG2 VAL 72 8.777 1.314 -2.108 559 H PHE 73 H PHE 73 7.235 2.624 -1.353 560 HA PHE 73 HA PHE 73 5.030 3.842 -2.419 561 1HB PHE 73 1HB PHE 73 5.616 2.782 0.411 562 2HB PHE 73 2HB PHE 73 3.994 3.057 -0.193 563 HD1 PHE 73 HD1 PHE 73 5.268 2.028 -3.069 564 HD2 PHE 73 HD2 PHE 73 4.688 0.449 0.827 565 HE1 PHE 73 HE1 PHE 73 5.227 -0.296 -4.017 566 HE2 PHE 73 HE2 PHE 73 4.647 -1.875 -0.121 567 HZ PHE 73 HZ PHE 73 4.917 -2.219 -2.531 568 H SER 74 H SER 74 6.636 4.641 0.751 569 HA SER 74 HA SER 74 5.021 6.751 1.365 570 1HB SER 74 1HB SER 74 7.881 6.043 2.047 571 2HB SER 74 2HB SER 74 7.224 7.571 2.597 572 HG SER 74 HG SER 74 6.611 4.938 3.418 573 H ARG 75 H ARG 75 7.713 6.499 -0.934 574 HA ARG 75 HA ARG 75 8.243 9.221 -1.128 575 1HB ARG 75 1HB ARG 75 9.259 6.842 -2.235 576 2HB ARG 75 2HB ARG 75 8.628 7.691 -3.632 577 1HG ARG 75 1HG ARG 75 10.205 9.364 -3.503 578 2HG ARG 75 2HG ARG 75 10.161 9.417 -1.752 579 1HD ARG 75 1HD ARG 75 12.236 8.438 -1.927 580 2HD ARG 75 2HD ARG 75 11.310 6.959 -2.088 581 HE ARG 75 HE ARG 75 11.731 8.361 -4.633 582 1HH1 ARG 75 1HH1 ARG 75 13.038 5.997 -2.378 583 2HH1 ARG 75 2HH1 ARG 75 14.018 5.212 -3.571 584 1HH2 ARG 75 1HH2 ARG 75 13.024 7.326 -6.207 585 2HH2 ARG 75 2HH2 ARG 75 14.010 5.973 -5.763 586 H VAL 76 H VAL 76 5.841 7.043 -2.626 587 HA VAL 76 HA VAL 76 5.079 8.533 -4.803 588 HB VAL 76 HB VAL 76 3.433 6.831 -2.922 589 1HG1 VAL 76 1HG1 VAL 76 1.619 7.235 -4.157 590 2HG1 VAL 76 2HG1 VAL 76 2.530 8.505 -5.008 591 3HG1 VAL 76 3HG1 VAL 76 2.497 6.847 -5.656 592 1HG2 VAL 76 1HG2 VAL 76 3.775 5.250 -5.027 593 2HG2 VAL 76 2HG2 VAL 76 5.232 6.249 -5.245 594 3HG2 VAL 76 3HG2 VAL 76 4.989 5.346 -3.729 595 H LEU 77 H LEU 77 3.475 8.570 -1.535 596 HA LEU 77 HA LEU 77 1.939 10.826 -2.098 597 1HB LEU 77 1HB LEU 77 2.788 10.232 0.692 598 2HB LEU 77 2HB LEU 77 1.214 10.675 0.062 599 HG LEU 77 HG LEU 77 1.539 8.230 -1.100 600 1HD1 LEU 77 1HD1 LEU 77 2.941 6.856 -0.051 601 2HD1 LEU 77 2HD1 LEU 77 3.642 8.305 0.710 602 3HD1 LEU 77 3HD1 LEU 77 2.379 7.378 1.555 603 1HD2 LEU 77 1HD2 LEU 77 -0.040 9.412 0.961 604 2HD2 LEU 77 2HD2 LEU 77 -0.425 8.032 -0.095 605 3HD2 LEU 77 3HD2 LEU 77 0.395 7.760 1.462 606 H ALA 78 H ALA 78 5.327 10.426 -1.279 607 HA ALA 78 HA ALA 78 5.749 12.980 -0.169 608 1HB ALA 78 1HB ALA 78 7.205 10.792 -0.197 609 2HB ALA 78 2HB ALA 78 7.834 11.452 -1.726 610 3HB ALA 78 3HB ALA 78 8.007 12.381 -0.218 611 H HIS 79 H HIS 79 5.636 11.674 -3.503 612 HA HIS 79 HA HIS 79 6.840 13.702 -4.860 613 1HB HIS 79 1HB HIS 79 6.089 11.626 -5.884 614 2HB HIS 79 2HB HIS 79 4.411 12.062 -5.630 615 HD1 HIS 79 HD1 HIS 79 7.223 14.212 -7.111 616 HD2 HIS 79 HD2 HIS 79 3.514 12.561 -8.166 617 HE1 HIS 79 HE1 HIS 79 6.680 15.103 -9.440 618 HE2 HIS 79 HE2 HIS 79 4.417 14.011 -10.057 619 H ASN 80 H ASN 80 3.899 13.779 -2.981 620 HA ASN 80 HA ASN 80 3.117 16.252 -4.277 621 1HB ASN 80 1HB ASN 80 1.726 14.354 -2.333 622 2HB ASN 80 2HB ASN 80 1.087 15.957 -2.636 623 1HD2 ASN 80 1HD2 ASN 80 1.431 12.755 -3.757 624 2HD2 ASN 80 2HD2 ASN 80 0.599 12.892 -5.270 625 H LEU 81 H LEU 81 2.774 15.066 -0.859 626 HA LEU 81 HA LEU 81 3.491 17.647 0.145 627 1HB LEU 81 1HB LEU 81 2.190 15.247 1.085 628 2HB LEU 81 2HB LEU 81 3.396 15.778 2.240 629 HG LEU 81 HG LEU 81 2.006 18.113 1.506 630 1HD1 LEU 81 1HD1 LEU 81 -0.114 16.210 2.383 631 2HD1 LEU 81 2HD1 LEU 81 -0.234 17.716 1.443 632 3HD1 LEU 81 3HD1 LEU 81 0.338 16.223 0.662 633 1HD2 LEU 81 1HD2 LEU 81 0.998 17.115 3.975 634 2HD2 LEU 81 2HD2 LEU 81 2.706 16.634 3.840 635 3HD2 LEU 81 3HD2 LEU 81 2.251 18.348 3.695 636 H TYR 82 H TYR 82 4.947 16.888 2.497 637 HA TYR 82 HA TYR 82 7.236 15.385 1.873 638 1HB TYR 82 1HB TYR 82 8.790 17.337 1.587 639 2HB TYR 82 2HB TYR 82 7.563 17.376 0.337 640 HD1 TYR 82 HD1 TYR 82 9.211 19.267 2.826 641 HD2 TYR 82 HD2 TYR 82 5.417 18.826 0.897 642 HE1 TYR 82 HE1 TYR 82 8.580 21.633 3.509 643 HE2 TYR 82 HE2 TYR 82 4.800 21.194 1.587 644 HH TYR 82 HH TYR 82 5.524 22.749 3.526 645 H LEU 83 H LEU 83 6.159 14.808 4.035 646 HA LEU 83 HA LEU 83 7.751 15.933 6.098 647 1HB LEU 83 1HB LEU 83 5.944 17.650 5.818 648 2HB LEU 83 2HB LEU 83 4.780 16.431 6.295 649 HG LEU 83 HG LEU 83 7.089 17.371 8.019 650 1HD1 LEU 83 1HD1 LEU 83 5.757 19.245 7.996 651 2HD1 LEU 83 2HD1 LEU 83 4.256 18.316 7.764 652 3HD1 LEU 83 3HD1 LEU 83 5.051 18.339 9.356 653 1HD2 LEU 83 1HD2 LEU 83 6.691 15.483 9.137 654 2HD2 LEU 83 2HD2 LEU 83 5.170 16.246 9.658 655 3HD2 LEU 83 3HD2 LEU 83 5.185 15.166 8.243 656 H ALA 84 H ALA 84 7.856 14.536 7.894 657 HA ALA 84 HA ALA 84 7.322 11.879 7.415 658 1HB ALA 84 1HB ALA 84 8.748 11.898 9.156 659 2HB ALA 84 2HB ALA 84 8.304 13.569 9.580 660 3HB ALA 84 3HB ALA 84 7.345 12.207 10.207 661 H LYS 85 H LYS 85 5.627 13.880 9.935 662 HA LYS 85 HA LYS 85 3.403 12.061 9.831 663 1HB LYS 85 1HB LYS 85 3.829 14.595 11.442 664 2HB LYS 85 2HB LYS 85 2.523 13.449 11.664 665 1HG LYS 85 1HG LYS 85 5.468 12.668 11.844 666 2HG LYS 85 2HG LYS 85 4.523 13.157 13.236 667 1HD LYS 85 1HD LYS 85 2.886 11.236 12.024 668 2HD LYS 85 2HD LYS 85 4.495 10.598 11.751 669 1HE LYS 85 1HE LYS 85 4.940 10.337 14.035 670 2HE LYS 85 2HE LYS 85 3.877 11.647 14.507 671 1HZ LYS 85 1HZ LYS 85 2.246 10.211 14.760 672 2HZ LYS 85 2HZ LYS 85 2.411 9.611 13.251 673 3HZ LYS 85 3HZ LYS 85 3.284 8.982 14.479 674 H ALA 86 H ALA 86 3.049 12.489 7.451 675 HA ALA 86 HA ALA 86 0.933 14.400 7.211 676 1HB ALA 86 1HB ALA 86 2.972 15.814 6.884 677 2HB ALA 86 2HB ALA 86 3.437 14.769 5.520 678 3HB ALA 86 3HB ALA 86 1.941 15.729 5.436 679 H VAL 87 H VAL 87 3.286 12.167 5.623 680 HA VAL 87 HA VAL 87 1.010 10.892 4.324 681 HB VAL 87 HB VAL 87 1.784 11.096 2.187 682 1HG1 VAL 87 1HG1 VAL 87 1.274 13.369 3.327 683 2HG1 VAL 87 2HG1 VAL 87 3.026 13.655 3.192 684 3HG1 VAL 87 3HG1 VAL 87 2.055 13.372 1.728 685 1HG2 VAL 87 1HG2 VAL 87 4.111 11.647 1.550 686 2HG2 VAL 87 2HG2 VAL 87 4.552 11.717 3.274 687 3HG2 VAL 87 3HG2 VAL 87 4.012 10.180 2.555 688 H GLN 88 H GLN 88 1.498 8.660 3.652 689 HA GLN 88 HA GLN 88 3.734 7.309 3.773 690 1HB GLN 88 1HB GLN 88 3.076 8.179 6.522 691 2HB GLN 88 2HB GLN 88 3.336 6.451 6.393 692 1HG GLN 88 1HG GLN 88 5.567 6.689 5.696 693 2HG GLN 88 2HG GLN 88 5.299 8.279 5.010 694 1HE2 GLN 88 1HE2 GLN 88 4.943 6.633 8.154 695 2HE2 GLN 88 2HE2 GLN 88 5.672 7.865 9.130 696 H ILE 89 H ILE 89 3.355 5.045 3.558 697 HA ILE 89 HA ILE 89 0.513 4.368 3.617 698 HB ILE 89 HB ILE 89 2.883 3.380 2.068 699 1HG1 ILE 89 1HG1 ILE 89 0.115 4.174 1.135 700 2HG1 ILE 89 2HG1 ILE 89 1.427 5.321 1.315 701 1HG2 ILE 89 1HG2 ILE 89 1.752 1.386 2.979 702 2HG2 ILE 89 2HG2 ILE 89 0.219 1.948 2.270 703 3HG2 ILE 89 3HG2 ILE 89 1.585 1.521 1.212 704 1HD1 ILE 89 1HD1 ILE 89 2.025 2.813 -0.228 705 2HD1 ILE 89 2HD1 ILE 89 0.972 4.022 -1.002 706 3HD1 ILE 89 3HD1 ILE 89 2.615 4.473 -0.486 707 H HIS 90 H HIS 90 -0.234 2.423 4.618 708 HA HIS 90 HA HIS 90 1.717 1.257 6.464 709 1HB HIS 90 1HB HIS 90 0.062 2.926 7.489 710 2HB HIS 90 2HB HIS 90 -1.183 1.737 7.166 711 HD1 HIS 90 HD1 HIS 90 0.076 2.777 10.031 712 HD2 HIS 90 HD2 HIS 90 0.587 -0.945 8.164 713 HE1 HIS 90 HE1 HIS 90 0.694 1.129 11.879 714 HE2 HIS 90 HE2 HIS 90 0.941 -1.150 10.679 715 H PHE 91 H PHE 91 1.838 -0.947 6.395 716 HA PHE 91 HA PHE 91 0.189 -2.282 4.474 717 1HB PHE 91 1HB PHE 91 1.827 -4.002 4.774 718 2HB PHE 91 2HB PHE 91 2.742 -2.562 5.173 719 HD1 PHE 91 HD1 PHE 91 0.668 -5.205 6.787 720 HD2 PHE 91 HD2 PHE 91 3.879 -2.460 7.192 721 HE1 PHE 91 HE1 PHE 91 1.212 -6.174 9.038 722 HE2 PHE 91 HE2 PHE 91 4.423 -3.429 9.443 723 HZ PHE 91 HZ PHE 91 3.083 -5.274 10.339 724 H VAL 92 H VAL 92 -1.504 -3.698 4.831 725 HA VAL 92 HA VAL 92 -2.034 -4.477 7.592 726 HB VAL 92 HB VAL 92 -3.795 -2.835 5.803 727 1HG1 VAL 92 1HG1 VAL 92 -5.309 -4.568 6.178 728 2HG1 VAL 92 2HG1 VAL 92 -4.672 -4.912 7.804 729 3HG1 VAL 92 3HG1 VAL 92 -5.648 -3.450 7.521 730 1HG2 VAL 92 1HG2 VAL 92 -2.404 -2.473 8.296 731 2HG2 VAL 92 2HG2 VAL 92 -3.327 -1.289 7.339 732 3HG2 VAL 92 3HG2 VAL 92 -4.154 -2.284 8.562 733 H LYS 93 H LYS 93 -3.401 -6.392 7.750 734 HA LYS 93 HA LYS 93 -3.529 -7.845 5.199 735 1HB LYS 93 1HB LYS 93 -3.086 -9.195 7.857 736 2HB LYS 93 2HB LYS 93 -2.811 -9.822 6.245 737 1HG LYS 93 1HG LYS 93 -1.104 -7.768 6.076 738 2HG LYS 93 2HG LYS 93 -1.144 -7.857 7.826 739 1HD LYS 93 1HD LYS 93 -0.872 -10.538 6.701 740 2HD LYS 93 2HD LYS 93 0.368 -9.489 6.045 741 1HE LYS 93 1HE LYS 93 1.523 -9.816 7.975 742 2HE LYS 93 2HE LYS 93 0.332 -8.804 8.768 743 1HZ LYS 93 1HZ LYS 93 -0.686 -10.581 9.645 744 2HZ LYS 93 2HZ LYS 93 -0.416 -11.557 8.364 745 3HZ LYS 93 3HZ LYS 93 0.772 -11.292 9.453 746 H ASP 94 H ASP 94 -4.902 -7.463 8.528 747 HA ASP 94 HA ASP 94 -7.503 -7.512 7.460 748 1HB ASP 94 1HB ASP 94 -6.649 -10.026 7.689 749 2HB ASP 94 2HB ASP 94 -6.962 -9.778 9.396 750 H LYS 95 H LYS 95 -6.820 -5.435 8.773 751 HA LYS 95 HA LYS 95 -6.985 -4.159 10.566 752 1HB LYS 95 1HB LYS 95 -9.185 -5.970 10.671 753 2HB LYS 95 2HB LYS 95 -8.628 -5.729 12.315 754 1HG LYS 95 1HG LYS 95 -9.659 -3.712 12.337 755 2HG LYS 95 2HG LYS 95 -8.539 -3.152 11.111 756 1HD LYS 95 1HD LYS 95 -10.036 -4.008 9.319 757 2HD LYS 95 2HD LYS 95 -11.140 -4.644 10.522 758 1HE LYS 95 1HE LYS 95 -10.760 -1.924 11.248 759 2HE LYS 95 2HE LYS 95 -10.900 -1.908 9.501 760 1HZ LYS 95 1HZ LYS 95 -12.884 -3.424 9.915 761 2HZ LYS 95 2HZ LYS 95 -12.829 -2.888 11.457 762 3HZ LYS 95 3HZ LYS 95 -13.058 -1.832 10.233 763 H ALA 96 H ALA 96 -4.862 -6.281 10.349 764 HA ALA 96 HA ALA 96 -3.036 -6.645 11.603 765 1HB ALA 96 1HB ALA 96 -4.248 -4.728 13.126 766 2HB ALA 96 2HB ALA 96 -4.272 -6.107 14.251 767 3HB ALA 96 3HB ALA 96 -2.728 -5.540 13.571 768 H ILE 97 H ILE 97 -6.199 -7.570 13.101 769 HA ILE 97 HA ILE 97 -5.471 -10.331 12.865 770 HB ILE 97 HB ILE 97 -6.118 -10.504 15.448 771 1HG1 ILE 97 1HG1 ILE 97 -4.434 -7.993 15.409 772 2HG1 ILE 97 2HG1 ILE 97 -6.180 -7.948 15.557 773 1HG2 ILE 97 1HG2 ILE 97 -3.882 -10.962 13.877 774 2HG2 ILE 97 2HG2 ILE 97 -3.265 -9.948 15.203 775 3HG2 ILE 97 3HG2 ILE 97 -4.114 -11.469 15.568 776 1HD1 ILE 97 1HD1 ILE 97 -5.956 -9.564 17.534 777 2HD1 ILE 97 2HD1 ILE 97 -4.201 -9.283 17.449 778 3HD1 ILE 97 3HD1 ILE 97 -5.303 -7.930 17.801 779 H ASP 98 H ASP 98 -7.688 -7.820 14.209 780 HA ASP 98 HA ASP 98 -9.830 -7.544 13.820 781 1HB ASP 98 1HB ASP 98 -9.374 -9.017 11.679 782 2HB ASP 98 2HB ASP 98 -10.113 -10.311 12.600 783 H ASN 99 H ASN 99 -8.460 -9.034 16.074 784 HA ASN 99 HA ASN 99 -10.832 -9.950 17.329 785 1HB ASN 99 1HB ASN 99 -9.553 -11.941 15.963 786 2HB ASN 99 2HB ASN 99 -8.620 -11.995 17.444 787 1HD2 ASN 99 1HD2 ASN 99 -10.183 -14.096 16.604 788 2HD2 ASN 99 2HD2 ASN 99 -11.516 -14.335 17.683 789 H ALA 100 H ALA 100 -9.157 -11.569 19.307 790 HA ALA 100 HA ALA 100 -7.650 -9.325 20.465 791 1HB ALA 100 1HB ALA 100 -8.790 -11.547 22.136 792 2HB ALA 100 2HB ALA 100 -8.519 -9.837 22.549 793 3HB ALA 100 3HB ALA 100 -9.895 -10.296 21.517 794 H MET 101 H MET 101 -7.946 -12.944 20.736 795 HA MET 101 HA MET 101 -5.399 -13.423 19.787 796 1HB MET 101 1HB MET 101 -4.209 -13.963 21.917 797 2HB MET 101 2HB MET 101 -4.674 -12.274 21.892 798 1HG MET 101 1HG MET 101 -6.073 -12.519 23.684 799 2HG MET 101 2HG MET 101 -6.802 -13.971 23.026 800 1HE MET 101 1HE MET 101 -3.731 -12.410 24.210 801 2HE MET 101 2HE MET 101 -3.466 -13.200 25.783 802 3HE MET 101 3HE MET 101 -2.618 -13.794 24.335 Start of MODEL 2 1 H LYS 6 H LYS 6 -14.687 1.792 -9.103 2 HA LYS 6 HA LYS 6 -16.755 3.714 -8.735 3 1HB LYS 6 1HB LYS 6 -17.334 0.983 -8.023 4 2HB LYS 6 2HB LYS 6 -17.246 1.952 -6.566 5 1HG LYS 6 1HG LYS 6 -19.106 3.197 -7.114 6 2HG LYS 6 2HG LYS 6 -18.699 3.255 -8.817 7 1HD LYS 6 1HD LYS 6 -19.317 0.511 -8.101 8 2HD LYS 6 2HD LYS 6 -20.604 1.548 -7.518 9 1HE LYS 6 1HE LYS 6 -20.495 2.647 -9.912 10 2HE LYS 6 2HE LYS 6 -19.616 1.201 -10.369 11 1HZ LYS 6 1HZ LYS 6 -21.949 0.618 -8.865 12 2HZ LYS 6 2HZ LYS 6 -22.293 1.434 -10.237 13 3HZ LYS 6 3HZ LYS 6 -21.471 0.025 -10.309 14 H GLU 7 H GLU 7 -14.188 4.300 -8.755 15 HA GLU 7 HA GLU 7 -13.716 5.079 -6.100 16 1HB GLU 7 1HB GLU 7 -12.114 2.776 -7.223 17 2HB GLU 7 2HB GLU 7 -11.327 3.916 -6.150 18 1HG GLU 7 1HG GLU 7 -13.601 3.476 -4.711 19 2HG GLU 7 2HG GLU 7 -13.511 1.944 -5.559 20 H ARG 8 H ARG 8 -13.572 7.180 -6.944 21 HA ARG 8 HA ARG 8 -12.211 7.792 -9.260 22 1HB ARG 8 1HB ARG 8 -12.150 10.176 -8.100 23 2HB ARG 8 2HB ARG 8 -13.692 9.475 -8.549 24 1HG ARG 8 1HG ARG 8 -12.847 8.579 -5.878 25 2HG ARG 8 2HG ARG 8 -12.916 10.328 -5.971 26 1HD ARG 8 1HD ARG 8 -15.166 10.161 -5.685 27 2HD ARG 8 2HD ARG 8 -15.254 9.512 -7.310 28 HE ARG 8 HE ARG 8 -14.540 7.479 -5.337 29 1HH1 ARG 8 1HH1 ARG 8 -17.226 9.200 -6.823 30 2HH1 ARG 8 2HH1 ARG 8 -18.380 7.954 -6.481 31 1HH2 ARG 8 1HH2 ARG 8 -16.062 5.836 -4.886 32 2HH2 ARG 8 2HH2 ARG 8 -17.713 6.028 -5.372 33 H LEU 9 H LEU 9 -11.083 9.728 -6.556 34 HA LEU 9 HA LEU 9 -8.454 9.672 -7.208 35 1HB LEU 9 1HB LEU 9 -8.133 10.904 -5.353 36 2HB LEU 9 2HB LEU 9 -9.879 11.012 -5.448 37 HG LEU 9 HG LEU 9 -8.617 8.841 -3.796 38 1HD1 LEU 9 1HD1 LEU 9 -8.227 10.190 -1.950 39 2HD1 LEU 9 2HD1 LEU 9 -7.618 11.182 -3.297 40 3HD1 LEU 9 3HD1 LEU 9 -9.213 11.529 -2.586 41 1HD2 LEU 9 1HD2 LEU 9 -10.649 8.737 -2.693 42 2HD2 LEU 9 2HD2 LEU 9 -11.102 10.398 -3.142 43 3HD2 LEU 9 3HD2 LEU 9 -11.140 9.104 -4.364 44 H GLU 10 H GLU 10 -10.198 7.449 -4.951 45 HA GLU 10 HA GLU 10 -8.235 6.064 -3.879 46 1HB GLU 10 1HB GLU 10 -10.966 5.432 -4.780 47 2HB GLU 10 2HB GLU 10 -9.945 4.009 -4.726 48 1HG GLU 10 1HG GLU 10 -10.976 4.266 -2.539 49 2HG GLU 10 2HG GLU 10 -9.268 4.624 -2.371 50 H ASN 11 H ASN 11 -9.682 4.960 -7.036 51 HA ASN 11 HA ASN 11 -7.882 3.092 -7.654 52 1HB ASN 11 1HB ASN 11 -9.465 5.056 -9.329 53 2HB ASN 11 2HB ASN 11 -8.298 4.038 -10.149 54 1HD2 ASN 11 1HD2 ASN 11 -11.255 4.133 -10.192 55 2HD2 ASN 11 2HD2 ASN 11 -11.809 2.532 -9.833 56 H ASP 12 H ASP 12 -7.613 6.665 -8.004 57 HA ASP 12 HA ASP 12 -5.408 6.787 -9.607 58 1HB ASP 12 1HB ASP 12 -6.996 8.602 -8.325 59 2HB ASP 12 2HB ASP 12 -5.572 8.713 -7.311 60 H ILE 13 H ILE 13 -5.687 6.706 -5.978 61 HA ILE 13 HA ILE 13 -2.950 6.809 -5.457 62 HB ILE 13 HB ILE 13 -5.207 5.620 -3.839 63 1HG1 ILE 13 1HG1 ILE 13 -4.253 8.184 -2.933 64 2HG1 ILE 13 2HG1 ILE 13 -4.705 8.298 -4.622 65 1HG2 ILE 13 1HG2 ILE 13 -2.497 6.574 -2.882 66 2HG2 ILE 13 2HG2 ILE 13 -3.791 5.829 -1.914 67 3HG2 ILE 13 3HG2 ILE 13 -2.934 4.868 -3.143 68 1HD1 ILE 13 1HD1 ILE 13 -6.588 8.698 -2.923 69 2HD1 ILE 13 2HD1 ILE 13 -6.936 7.502 -4.194 70 3HD1 ILE 13 3HD1 ILE 13 -6.499 6.959 -2.556 71 H ILE 14 H ILE 14 -5.155 4.134 -6.314 72 HA ILE 14 HA ILE 14 -3.419 2.053 -5.598 73 HB ILE 14 HB ILE 14 -5.864 2.387 -7.244 74 1HG1 ILE 14 1HG1 ILE 14 -6.791 0.837 -5.726 75 2HG1 ILE 14 2HG1 ILE 14 -5.221 0.250 -5.214 76 1HG2 ILE 14 1HG2 ILE 14 -4.013 0.007 -7.497 77 2HG2 ILE 14 2HG2 ILE 14 -5.734 -0.015 -7.948 78 3HG2 ILE 14 3HG2 ILE 14 -4.607 1.075 -8.791 79 1HD1 ILE 14 1HD1 ILE 14 -6.529 1.946 -3.679 80 2HD1 ILE 14 2HD1 ILE 14 -4.775 2.153 -3.900 81 3HD1 ILE 14 3HD1 ILE 14 -5.914 3.170 -4.815 82 H ARG 15 H ARG 15 -3.903 3.908 -8.660 83 HA ARG 15 HA ARG 15 -2.046 2.379 -10.075 84 1HB ARG 15 1HB ARG 15 -3.754 3.733 -11.223 85 2HB ARG 15 2HB ARG 15 -3.119 5.208 -10.521 86 1HG ARG 15 1HG ARG 15 -0.998 4.939 -11.756 87 2HG ARG 15 2HG ARG 15 -1.519 3.384 -12.376 88 1HD ARG 15 1HD ARG 15 -2.611 4.385 -14.097 89 2HD ARG 15 2HD ARG 15 -3.572 5.337 -12.983 90 HE ARG 15 HE ARG 15 -1.042 6.567 -13.026 91 1HH1 ARG 15 1HH1 ARG 15 -3.578 5.848 -15.357 92 2HH1 ARG 15 2HH1 ARG 15 -3.207 7.202 -16.371 93 1HH2 ARG 15 1HH2 ARG 15 -0.553 8.355 -14.363 94 2HH2 ARG 15 2HH2 ARG 15 -1.475 8.638 -15.802 95 H LEU 16 H LEU 16 -1.787 4.967 -7.729 96 HA LEU 16 HA LEU 16 0.660 6.066 -8.578 97 1HB LEU 16 1HB LEU 16 -1.115 6.208 -6.235 98 2HB LEU 16 2HB LEU 16 0.578 6.492 -5.883 99 HG LEU 16 HG LEU 16 -0.661 8.571 -6.302 100 1HD1 LEU 16 1HD1 LEU 16 1.561 7.809 -8.189 101 2HD1 LEU 16 2HD1 LEU 16 0.870 9.449 -8.171 102 3HD1 LEU 16 3HD1 LEU 16 1.629 8.786 -6.703 103 1HD2 LEU 16 1HD2 LEU 16 -1.451 7.140 -8.776 104 2HD2 LEU 16 2HD2 LEU 16 -2.337 8.335 -7.798 105 3HD2 LEU 16 3HD2 LEU 16 -1.086 8.874 -8.943 106 H ILE 17 H ILE 17 -0.121 3.660 -5.966 107 HA ILE 17 HA ILE 17 2.515 3.100 -5.327 108 HB ILE 17 HB ILE 17 -0.128 1.825 -4.934 109 1HG1 ILE 17 1HG1 ILE 17 0.657 3.483 -3.360 110 2HG1 ILE 17 2HG1 ILE 17 0.584 1.917 -2.579 111 1HG2 ILE 17 1HG2 ILE 17 2.475 0.312 -4.748 112 2HG2 ILE 17 2HG2 ILE 17 1.058 -0.111 -3.757 113 3HG2 ILE 17 3HG2 ILE 17 0.951 -0.169 -5.533 114 1HD1 ILE 17 1HD1 ILE 17 3.195 2.123 -3.735 115 2HD1 ILE 17 2HD1 ILE 17 2.865 3.661 -2.902 116 3HD1 ILE 17 3HD1 ILE 17 2.762 2.125 -2.008 117 H ASN 18 H ASN 18 0.432 1.960 -7.984 118 HA ASN 18 HA ASN 18 2.013 -0.214 -8.686 119 1HB ASN 18 1HB ASN 18 -0.402 0.516 -9.474 120 2HB ASN 18 2HB ASN 18 0.439 1.459 -10.689 121 1HD2 ASN 18 1HD2 ASN 18 -0.088 -1.761 -9.386 122 2HD2 ASN 18 2HD2 ASN 18 0.345 -2.666 -10.798 123 H ARG 19 H ARG 19 1.907 3.266 -9.677 124 HA ARG 19 HA ARG 19 3.642 3.171 -11.761 125 1HB ARG 19 1HB ARG 19 2.888 5.265 -9.722 126 2HB ARG 19 2HB ARG 19 4.260 5.611 -10.756 127 1HG ARG 19 1HG ARG 19 1.987 4.510 -12.278 128 2HG ARG 19 2HG ARG 19 1.549 5.970 -11.413 129 1HD ARG 19 1HD ARG 19 4.163 6.363 -12.608 130 2HD ARG 19 2HD ARG 19 3.078 5.745 -13.838 131 HE ARG 19 HE ARG 19 1.780 7.715 -13.688 132 1HH1 ARG 19 1HH1 ARG 19 4.160 7.617 -11.097 133 2HH1 ARG 19 2HH1 ARG 19 3.910 9.266 -10.632 134 1HH2 ARG 19 1HH2 ARG 19 1.450 9.892 -13.074 135 2HH2 ARG 19 2HH2 ARG 19 2.358 10.569 -11.764 136 H THR 20 H THR 20 4.270 3.200 -8.232 137 HA THR 20 HA THR 20 7.102 3.577 -8.548 138 HB THR 20 HB THR 20 5.150 3.836 -6.504 139 HG1 THR 20 HG1 THR 20 8.087 3.745 -6.518 140 1HG2 THR 20 1HG2 THR 20 5.464 1.522 -5.744 141 2HG2 THR 20 2HG2 THR 20 7.230 1.669 -5.907 142 3HG2 THR 20 3HG2 THR 20 6.374 2.588 -4.646 143 H VAL 21 H VAL 21 4.852 0.824 -8.095 144 HA VAL 21 HA VAL 21 6.913 -1.060 -7.661 145 HB VAL 21 HB VAL 21 4.053 -1.350 -8.599 146 1HG1 VAL 21 1HG1 VAL 21 4.253 -3.701 -7.843 147 2HG1 VAL 21 2HG1 VAL 21 5.328 -3.331 -9.212 148 3HG1 VAL 21 3HG1 VAL 21 5.992 -3.446 -7.564 149 1HG2 VAL 21 1HG2 VAL 21 3.393 -1.191 -6.458 150 2HG2 VAL 21 2HG2 VAL 21 4.742 -2.195 -5.873 151 3HG2 VAL 21 3HG2 VAL 21 4.985 -0.455 -6.157 152 H ILE 22 H ILE 22 6.118 0.814 -10.363 153 HA ILE 22 HA ILE 22 6.164 -0.865 -12.500 154 HB ILE 22 HB ILE 22 7.246 1.895 -12.041 155 1HG1 ILE 22 1HG1 ILE 22 4.820 1.599 -12.053 156 2HG1 ILE 22 2HG1 ILE 22 5.353 2.553 -13.423 157 1HG2 ILE 22 1HG2 ILE 22 8.622 1.643 -13.785 158 2HG2 ILE 22 2HG2 ILE 22 7.864 0.113 -14.289 159 3HG2 ILE 22 3HG2 ILE 22 7.143 1.666 -14.775 160 1HD1 ILE 22 1HD1 ILE 22 3.968 -0.027 -13.391 161 2HD1 ILE 22 2HD1 ILE 22 4.201 1.111 -14.740 162 3HD1 ILE 22 3HD1 ILE 22 5.453 -0.099 -14.369 163 H HIS 23 H HIS 23 9.098 0.658 -10.980 164 HA HIS 23 HA HIS 23 10.514 -1.811 -11.418 165 1HB HIS 23 1HB HIS 23 10.693 -0.484 -13.562 166 2HB HIS 23 2HB HIS 23 11.561 0.743 -12.662 167 HD1 HIS 23 HD1 HIS 23 13.486 0.058 -14.500 168 HD2 HIS 23 HD2 HIS 23 12.653 -2.727 -11.476 169 HE1 HIS 23 HE1 HIS 23 15.470 -1.546 -14.439 170 HE2 HIS 23 HE2 HIS 23 14.925 -3.201 -12.526 171 H GLU 24 H GLU 24 9.497 -0.144 -9.155 172 HA GLU 24 HA GLU 24 12.102 0.425 -7.971 173 1HB GLU 24 1HB GLU 24 9.926 2.212 -8.340 174 2HB GLU 24 2HB GLU 24 9.915 1.817 -6.633 175 1HG GLU 24 1HG GLU 24 12.276 2.907 -8.232 176 2HG GLU 24 2HG GLU 24 11.367 3.759 -7.000 177 H ILE 25 H ILE 25 10.724 -2.149 -8.045 178 HA ILE 25 HA ILE 25 10.488 -2.526 -5.176 179 HB ILE 25 HB ILE 25 8.327 -3.265 -7.147 180 1HG1 ILE 25 1HG1 ILE 25 8.329 -0.931 -6.252 181 2HG1 ILE 25 2HG1 ILE 25 6.894 -1.859 -5.866 182 1HG2 ILE 25 1HG2 ILE 25 8.067 -5.115 -5.917 183 2HG2 ILE 25 2HG2 ILE 25 9.112 -4.513 -4.608 184 3HG2 ILE 25 3HG2 ILE 25 7.402 -4.022 -4.680 185 1HD1 ILE 25 1HD1 ILE 25 7.550 -0.724 -3.841 186 2HD1 ILE 25 2HD1 ILE 25 7.984 -2.436 -3.622 187 3HD1 ILE 25 3HD1 ILE 25 9.242 -1.243 -4.024 188 H TYR 26 H TYR 26 12.407 -3.681 -5.109 189 HA TYR 26 HA TYR 26 13.570 -5.286 -6.853 190 1HB TYR 26 1HB TYR 26 13.820 -4.761 -4.208 191 2HB TYR 26 2HB TYR 26 13.006 -6.302 -4.025 192 HD1 TYR 26 HD1 TYR 26 14.474 -7.994 -3.449 193 HD2 TYR 26 HD2 TYR 26 15.749 -5.041 -6.269 194 HE1 TYR 26 HE1 TYR 26 16.700 -9.194 -3.710 195 HE2 TYR 26 HE2 TYR 26 17.971 -6.251 -6.521 196 HH TYR 26 HH TYR 26 18.809 -8.932 -4.433 197 H ASN 27 H ASN 27 12.314 -6.429 -8.352 198 HA ASN 27 HA ASN 27 11.499 -8.344 -9.071 199 1HB ASN 27 1HB ASN 27 12.207 -9.173 -6.529 200 2HB ASN 27 2HB ASN 27 10.470 -9.392 -6.459 201 1HD2 ASN 27 1HD2 ASN 27 10.974 -11.644 -6.262 202 2HD2 ASN 27 2HD2 ASN 27 11.274 -12.615 -7.665 203 H GLU 28 H GLU 28 9.410 -8.475 -9.978 204 HA GLU 28 HA GLU 28 7.469 -6.698 -9.030 205 1HB GLU 28 1HB GLU 28 7.693 -8.706 -11.244 206 2HB GLU 28 2HB GLU 28 6.071 -8.225 -10.788 207 1HG GLU 28 1HG GLU 28 6.584 -5.864 -11.174 208 2HG GLU 28 2HG GLU 28 8.286 -6.215 -11.398 209 H THR 29 H THR 29 7.688 -7.818 -6.729 210 HA THR 29 HA THR 29 6.026 -10.194 -6.513 211 HB THR 29 HB THR 29 7.941 -8.622 -4.784 212 HG1 THR 29 HG1 THR 29 8.868 -10.663 -4.922 213 1HG2 THR 29 1HG2 THR 29 5.595 -10.290 -3.820 214 2HG2 THR 29 2HG2 THR 29 7.153 -10.398 -2.966 215 3HG2 THR 29 3HG2 THR 29 6.307 -8.836 -3.081 216 H VAL 30 H VAL 30 6.057 -7.160 -4.545 217 HA VAL 30 HA VAL 30 3.440 -7.362 -3.757 218 HB VAL 30 HB VAL 30 3.642 -5.122 -3.044 219 1HG1 VAL 30 1HG1 VAL 30 5.741 -7.005 -2.650 220 2HG1 VAL 30 2HG1 VAL 30 6.481 -5.389 -2.750 221 3HG1 VAL 30 3HG1 VAL 30 5.197 -5.708 -1.560 222 1HG2 VAL 30 1HG2 VAL 30 4.192 -3.890 -4.970 223 2HG2 VAL 30 2HG2 VAL 30 5.604 -3.692 -3.904 224 3HG2 VAL 30 3HG2 VAL 30 5.671 -4.836 -5.265 225 H LYS 31 H LYS 31 4.756 -6.565 -6.893 226 HA LYS 31 HA LYS 31 2.710 -4.954 -7.874 227 1HB LYS 31 1HB LYS 31 5.021 -5.491 -8.860 228 2HB LYS 31 2HB LYS 31 4.289 -6.943 -9.511 229 1HG LYS 31 1HG LYS 31 2.516 -4.733 -10.073 230 2HG LYS 31 2HG LYS 31 4.136 -4.252 -10.538 231 1HD LYS 31 1HD LYS 31 4.122 -6.779 -11.568 232 2HD LYS 31 2HD LYS 31 2.406 -6.436 -11.652 233 1HE LYS 31 1HE LYS 31 2.979 -4.246 -12.837 234 2HE LYS 31 2HE LYS 31 4.650 -4.771 -12.884 235 1HZ LYS 31 1HZ LYS 31 4.089 -5.812 -14.730 236 2HZ LYS 31 2HZ LYS 31 3.244 -6.885 -13.834 237 3HZ LYS 31 3HZ LYS 31 2.487 -5.598 -14.496 238 H THR 32 H THR 32 2.682 -8.237 -6.830 239 HA THR 32 HA THR 32 0.414 -8.909 -8.545 240 HB THR 32 HB THR 32 2.338 -10.512 -8.200 241 HG1 THR 32 HG1 THR 32 0.340 -11.509 -8.620 242 1HG2 THR 32 1HG2 THR 32 1.405 -11.455 -5.595 243 2HG2 THR 32 2HG2 THR 32 3.067 -11.075 -6.108 244 3HG2 THR 32 3HG2 THR 32 2.021 -9.790 -5.457 245 H GLY 33 H GLY 33 1.242 -8.066 -5.186 246 1HA GLY 33 1HA GLY 33 -1.119 -8.889 -3.945 247 2HA GLY 33 2HA GLY 33 -0.058 -7.598 -3.415 248 H HIS 34 H HIS 34 -2.950 -7.573 -3.194 249 HA HIS 34 HA HIS 34 -3.407 -5.071 -4.501 250 1HB HIS 34 1HB HIS 34 -4.363 -7.494 -5.720 251 2HB HIS 34 2HB HIS 34 -5.736 -6.568 -5.148 252 HD1 HIS 34 HD1 HIS 34 -6.211 -6.312 -7.813 253 HD2 HIS 34 HD2 HIS 34 -2.884 -4.256 -6.297 254 HE1 HIS 34 HE1 HIS 34 -5.588 -4.567 -9.568 255 HE2 HIS 34 HE2 HIS 34 -3.572 -3.300 -8.557 256 H VAL 35 H VAL 35 -4.163 -3.854 -2.849 257 HA VAL 35 HA VAL 35 -5.165 -4.996 -0.495 258 HB VAL 35 HB VAL 35 -5.434 -2.167 -1.528 259 1HG1 VAL 35 1HG1 VAL 35 -6.323 -1.619 0.446 260 2HG1 VAL 35 2HG1 VAL 35 -6.483 -3.359 0.784 261 3HG1 VAL 35 3HG1 VAL 35 -5.038 -2.475 1.332 262 1HG2 VAL 35 1HG2 VAL 35 -3.073 -3.388 -1.364 263 2HG2 VAL 35 2HG2 VAL 35 -3.291 -1.692 -0.871 264 3HG2 VAL 35 3HG2 VAL 35 -3.260 -2.980 0.358 265 H THR 36 H THR 36 -6.873 -2.962 -2.985 266 HA THR 36 HA THR 36 -8.987 -2.956 -3.673 267 HB THR 36 HB THR 36 -9.825 -5.051 -4.227 268 HG1 THR 36 HG1 THR 36 -9.058 -5.603 -1.452 269 1HG2 THR 36 1HG2 THR 36 -7.487 -6.369 -2.856 270 2HG2 THR 36 2HG2 THR 36 -8.109 -6.612 -4.506 271 3HG2 THR 36 3HG2 THR 36 -7.116 -5.183 -4.131 272 H HIS 37 H HIS 37 -8.062 -2.643 -0.623 273 HA HIS 37 HA HIS 37 -10.639 -1.746 0.176 274 1HB HIS 37 1HB HIS 37 -10.392 -4.348 0.677 275 2HB HIS 37 2HB HIS 37 -9.504 -3.765 2.071 276 HD1 HIS 37 HD1 HIS 37 -10.970 -3.614 4.074 277 HD2 HIS 37 HD2 HIS 37 -13.045 -2.694 0.546 278 HE1 HIS 37 HE1 HIS 37 -13.365 -3.079 4.772 279 HE2 HIS 37 HE2 HIS 37 -14.578 -2.469 2.569 280 H VAL 38 H VAL 38 -8.267 -0.388 -0.376 281 HA VAL 38 HA VAL 38 -6.725 -0.049 1.993 282 HB VAL 38 HB VAL 38 -5.976 0.271 -0.388 283 1HG1 VAL 38 1HG1 VAL 38 -8.148 1.791 -0.757 284 2HG1 VAL 38 2HG1 VAL 38 -6.998 3.075 -0.316 285 3HG1 VAL 38 3HG1 VAL 38 -6.656 2.013 -1.702 286 1HG2 VAL 38 1HG2 VAL 38 -4.484 2.141 0.144 287 2HG2 VAL 38 2HG2 VAL 38 -5.528 2.601 1.510 288 3HG2 VAL 38 3HG2 VAL 38 -4.657 1.048 1.539 289 H LYS 39 H LYS 39 -7.228 1.125 3.768 290 HA LYS 39 HA LYS 39 -9.618 2.750 3.661 291 1HB LYS 39 1HB LYS 39 -9.610 1.389 5.543 292 2HB LYS 39 2HB LYS 39 -7.893 1.592 5.828 293 1HG LYS 39 1HG LYS 39 -9.030 2.895 7.513 294 2HG LYS 39 2HG LYS 39 -8.339 4.038 6.379 295 1HD LYS 39 1HD LYS 39 -11.113 3.104 5.747 296 2HD LYS 39 2HD LYS 39 -10.956 4.094 7.184 297 1HE LYS 39 1HE LYS 39 -9.442 5.602 5.527 298 2HE LYS 39 2HE LYS 39 -10.430 4.821 4.308 299 1HZ LYS 39 1HZ LYS 39 -12.190 5.553 6.230 300 2HZ LYS 39 2HZ LYS 39 -11.156 6.816 6.172 301 3HZ LYS 39 3HZ LYS 39 -11.934 6.334 4.819 302 H LEU 40 H LEU 40 -9.231 4.660 2.584 303 HA LEU 40 HA LEU 40 -6.800 6.110 3.230 304 1HB LEU 40 1HB LEU 40 -7.853 5.720 0.886 305 2HB LEU 40 2HB LEU 40 -8.939 7.020 1.335 306 HG LEU 40 HG LEU 40 -7.161 7.944 0.037 307 1HD1 LEU 40 1HD1 LEU 40 -7.970 9.061 2.266 308 2HD1 LEU 40 2HD1 LEU 40 -6.300 8.744 2.794 309 3HD1 LEU 40 3HD1 LEU 40 -6.603 9.745 1.354 310 1HD2 LEU 40 1HD2 LEU 40 -5.401 6.441 0.079 311 2HD2 LEU 40 2HD2 LEU 40 -4.761 7.806 1.025 312 3HD2 LEU 40 3HD2 LEU 40 -5.373 6.355 1.856 313 H SER 41 H SER 41 -6.698 7.812 4.619 314 HA SER 41 HA SER 41 -9.108 9.241 5.205 315 1HB SER 41 1HB SER 41 -8.804 7.140 6.805 316 2HB SER 41 2HB SER 41 -7.613 8.153 7.597 317 HG SER 41 HG SER 41 -10.024 9.482 7.063 318 H ASP 42 H ASP 42 -8.655 11.330 6.209 319 HA ASP 42 HA ASP 42 -7.403 12.985 6.952 320 1HB ASP 42 1HB ASP 42 -5.709 10.992 7.620 321 2HB ASP 42 2HB ASP 42 -4.772 11.663 6.300 322 H ASP 43 H ASP 43 -7.936 11.852 4.042 323 HA ASP 43 HA ASP 43 -7.913 12.991 2.129 324 1HB ASP 43 1HB ASP 43 -6.745 14.930 3.529 325 2HB ASP 43 2HB ASP 43 -5.279 14.348 2.766 326 H LEU 44 H LEU 44 -4.974 11.706 3.705 327 HA LEU 44 HA LEU 44 -4.470 9.712 1.959 328 1HB LEU 44 1HB LEU 44 -2.484 10.708 0.675 329 2HB LEU 44 2HB LEU 44 -4.111 10.965 0.078 330 HG LEU 44 HG LEU 44 -3.831 13.200 1.577 331 1HD1 LEU 44 1HD1 LEU 44 -1.291 13.725 0.528 332 2HD1 LEU 44 2HD1 LEU 44 -1.739 13.533 2.240 333 3HD1 LEU 44 3HD1 LEU 44 -1.154 12.132 1.311 334 1HD2 LEU 44 1HD2 LEU 44 -2.716 13.091 -1.224 335 2HD2 LEU 44 2HD2 LEU 44 -4.447 12.860 -0.882 336 3HD2 LEU 44 3HD2 LEU 44 -3.648 14.387 -0.437 337 H LEU 45 H LEU 45 -3.250 12.292 4.067 338 HA LEU 45 HA LEU 45 -0.798 11.578 4.761 339 1HB LEU 45 1HB LEU 45 -2.401 13.298 5.774 340 2HB LEU 45 2HB LEU 45 -2.897 12.024 6.872 341 HG LEU 45 HG LEU 45 -1.304 12.910 8.191 342 1HD1 LEU 45 1HD1 LEU 45 0.932 11.862 7.914 343 2HD1 LEU 45 2HD1 LEU 45 -0.418 10.712 7.767 344 3HD1 LEU 45 3HD1 LEU 45 0.426 11.285 6.309 345 1HD2 LEU 45 1HD2 LEU 45 0.866 13.863 6.711 346 2HD2 LEU 45 2HD2 LEU 45 -0.571 14.302 5.757 347 3HD2 LEU 45 3HD2 LEU 45 -0.438 14.819 7.456 348 H HIS 46 H HIS 46 -3.773 9.722 5.503 349 HA HIS 46 HA HIS 46 -2.010 7.595 6.485 350 1HB HIS 46 1HB HIS 46 -4.756 8.442 7.413 351 2HB HIS 46 2HB HIS 46 -4.122 6.843 7.746 352 HD1 HIS 46 HD1 HIS 46 -2.851 6.630 9.887 353 HD2 HIS 46 HD2 HIS 46 -2.863 10.569 8.446 354 HE1 HIS 46 HE1 HIS 46 -1.667 8.040 11.653 355 HE2 HIS 46 HE2 HIS 46 -1.657 10.441 10.687 356 H VAL 47 H VAL 47 -2.013 5.745 5.297 357 HA VAL 47 HA VAL 47 -4.376 5.197 3.668 358 HB VAL 47 HB VAL 47 -1.519 5.224 2.675 359 1HG1 VAL 47 1HG1 VAL 47 -3.746 3.669 1.815 360 2HG1 VAL 47 2HG1 VAL 47 -3.452 4.919 0.582 361 3HG1 VAL 47 3HG1 VAL 47 -2.140 3.816 1.063 362 1HG2 VAL 47 1HG2 VAL 47 -1.951 7.395 2.301 363 2HG2 VAL 47 2HG2 VAL 47 -3.023 6.824 1.000 364 3HG2 VAL 47 3HG2 VAL 47 -3.693 7.196 2.607 365 H THR 48 H THR 48 -5.059 3.438 4.859 366 HA THR 48 HA THR 48 -3.095 1.485 5.721 367 HB THR 48 HB THR 48 -6.018 2.104 6.191 368 HG1 THR 48 HG1 THR 48 -3.662 1.277 7.738 369 1HG2 THR 48 1HG2 THR 48 -5.753 -0.442 5.694 370 2HG2 THR 48 2HG2 THR 48 -4.699 -0.484 7.128 371 3HG2 THR 48 3HG2 THR 48 -6.406 -0.003 7.291 372 H VAL 49 H VAL 49 -2.310 0.025 4.344 373 HA VAL 49 HA VAL 49 -4.135 -0.919 2.248 374 HB VAL 49 HB VAL 49 -2.166 -1.470 0.983 375 1HG1 VAL 49 1HG1 VAL 49 -1.138 0.842 0.775 376 2HG1 VAL 49 2HG1 VAL 49 -2.910 0.762 0.632 377 3HG1 VAL 49 3HG1 VAL 49 -2.165 1.328 2.146 378 1HG2 VAL 49 1HG2 VAL 49 0.095 -0.585 1.980 379 2HG2 VAL 49 2HG2 VAL 49 -0.729 -0.815 3.541 380 3HG2 VAL 49 3HG2 VAL 49 -0.515 -2.194 2.437 381 H TYR 50 H TYR 50 -5.228 -2.614 3.216 382 HA TYR 50 HA TYR 50 -3.994 -4.383 5.033 383 1HB TYR 50 1HB TYR 50 -6.468 -4.389 3.206 384 2HB TYR 50 2HB TYR 50 -6.162 -5.710 4.316 385 HD1 TYR 50 HD1 TYR 50 -6.653 -2.005 4.218 386 HD2 TYR 50 HD2 TYR 50 -6.902 -5.588 6.544 387 HE1 TYR 50 HE1 TYR 50 -7.827 -0.726 6.076 388 HE2 TYR 50 HE2 TYR 50 -8.075 -4.297 8.393 389 HH TYR 50 HH TYR 50 -9.466 -1.371 7.945 390 H LEU 51 H LEU 51 -4.229 -4.253 1.494 391 HA LEU 51 HA LEU 51 -3.283 -5.483 -0.078 392 1HB LEU 51 1HB LEU 51 -1.660 -6.103 2.281 393 2HB LEU 51 2HB LEU 51 -1.637 -7.366 1.066 394 HG LEU 51 HG LEU 51 -0.979 -4.455 0.534 395 1HD1 LEU 51 1HD1 LEU 51 1.157 -6.487 0.365 396 2HD1 LEU 51 2HD1 LEU 51 1.193 -4.819 0.987 397 3HD1 LEU 51 3HD1 LEU 51 0.562 -6.137 2.005 398 1HD2 LEU 51 1HD2 LEU 51 -1.556 -5.169 -1.547 399 2HD2 LEU 51 2HD2 LEU 51 0.133 -5.731 -1.520 400 3HD2 LEU 51 3HD2 LEU 51 -1.191 -6.874 -1.193 401 H ASP 52 H ASP 52 -3.898 -7.291 -1.279 402 HA ASP 52 HA ASP 52 -5.077 -9.472 0.193 403 1HB ASP 52 1HB ASP 52 -6.694 -7.451 -0.864 404 2HB ASP 52 2HB ASP 52 -6.700 -8.644 -2.148 405 H CYS 53 H CYS 53 -2.750 -9.941 -0.918 406 HA CYS 53 HA CYS 53 -2.579 -10.175 -3.676 407 1HB CYS 53 1HB CYS 53 -1.111 -11.970 -1.734 408 2HB CYS 53 2HB CYS 53 -0.585 -11.413 -3.311 409 HG CYS 53 HG CYS 53 -0.757 -9.942 -0.404 410 H TYR 54 H TYR 54 -1.756 -12.969 -3.981 411 HA TYR 54 HA TYR 54 -3.886 -14.188 -4.980 412 1HB TYR 54 1HB TYR 54 -1.348 -14.963 -3.576 413 2HB TYR 54 2HB TYR 54 -2.523 -16.261 -3.637 414 HD1 TYR 54 HD1 TYR 54 -1.891 -13.633 -6.218 415 HD2 TYR 54 HD2 TYR 54 -1.566 -17.768 -5.170 416 HE1 TYR 54 HE1 TYR 54 -1.165 -14.184 -8.591 417 HE2 TYR 54 HE2 TYR 54 -0.840 -18.306 -7.547 418 HH TYR 54 HH TYR 54 -1.390 -16.732 -9.996 419 H ASN 55 H ASN 55 -2.777 -15.085 -1.634 420 HA ASN 55 HA ASN 55 -5.382 -14.803 -0.609 421 1HB ASN 55 1HB ASN 55 -5.661 -16.972 -1.855 422 2HB ASN 55 2HB ASN 55 -4.305 -17.649 -0.977 423 1HD2 ASN 55 1HD2 ASN 55 -6.705 -18.888 -0.919 424 2HD2 ASN 55 2HD2 ASN 55 -7.446 -18.772 0.643 425 H ARG 56 H ARG 56 -2.164 -16.457 -0.441 426 HA ARG 56 HA ARG 56 -1.447 -15.166 1.884 427 1HB ARG 56 1HB ARG 56 -1.417 -17.158 3.463 428 2HB ARG 56 2HB ARG 56 -3.027 -16.573 3.092 429 1HG ARG 56 1HG ARG 56 -2.761 -18.389 1.078 430 2HG ARG 56 2HG ARG 56 -1.690 -19.127 2.253 431 1HD ARG 56 1HD ARG 56 -3.990 -18.348 3.736 432 2HD ARG 56 2HD ARG 56 -4.616 -19.017 2.243 433 HE ARG 56 HE ARG 56 -3.794 -21.138 2.852 434 1HH1 ARG 56 1HH1 ARG 56 -2.450 -18.679 4.980 435 2HH1 ARG 56 2HH1 ARG 56 -1.775 -19.826 6.089 436 1HH2 ARG 56 1HH2 ARG 56 -2.903 -22.651 4.314 437 2HH2 ARG 56 2HH2 ARG 56 -2.034 -22.100 5.707 438 H GLU 57 H GLU 57 -1.221 -18.049 -0.232 439 HA GLU 57 HA GLU 57 1.355 -18.790 0.477 440 1HB GLU 57 1HB GLU 57 1.327 -20.124 -1.567 441 2HB GLU 57 2HB GLU 57 -0.250 -20.209 -0.807 442 1HG GLU 57 1HG GLU 57 -1.177 -19.486 -2.744 443 2HG GLU 57 2HG GLU 57 -0.383 -17.941 -2.510 444 H GLN 58 H GLN 58 0.187 -15.995 -1.150 445 HA GLN 58 HA GLN 58 2.803 -15.605 -2.378 446 1HB GLN 58 1HB GLN 58 0.592 -15.535 -3.776 447 2HB GLN 58 2HB GLN 58 0.325 -13.975 -3.023 448 1HG GLN 58 1HG GLN 58 1.816 -12.976 -4.410 449 2HG GLN 58 2HG GLN 58 3.072 -14.113 -3.963 450 1HE2 GLN 58 1HE2 GLN 58 3.928 -15.026 -5.655 451 2HE2 GLN 58 2HE2 GLN 58 3.113 -15.599 -7.072 452 H ILE 59 H ILE 59 0.285 -14.248 -0.222 453 HA ILE 59 HA ILE 59 1.109 -11.718 0.167 454 HB ILE 59 HB ILE 59 -0.585 -13.488 1.408 455 1HG1 ILE 59 1HG1 ILE 59 -0.810 -11.234 2.949 456 2HG1 ILE 59 2HG1 ILE 59 0.049 -10.607 1.556 457 1HG2 ILE 59 1HG2 ILE 59 0.998 -14.296 2.990 458 2HG2 ILE 59 2HG2 ILE 59 1.553 -12.650 3.378 459 3HG2 ILE 59 3HG2 ILE 59 -0.081 -13.173 3.853 460 1HD1 ILE 59 1HD1 ILE 59 -2.671 -11.933 1.661 461 2HD1 ILE 59 2HD1 ILE 59 -2.202 -10.394 0.898 462 3HD1 ILE 59 3HD1 ILE 59 -1.735 -11.939 0.146 463 H ASP 60 H ASP 60 2.483 -14.635 1.840 464 HA ASP 60 HA ASP 60 4.273 -13.524 3.422 465 1HB ASP 60 1HB ASP 60 4.989 -15.792 1.509 466 2HB ASP 60 2HB ASP 60 5.691 -15.506 3.089 467 H ARG 61 H ARG 61 4.467 -13.860 -0.161 468 HA ARG 61 HA ARG 61 7.117 -12.866 -0.262 469 1HB ARG 61 1HB ARG 61 5.108 -13.037 -2.558 470 2HB ARG 61 2HB ARG 61 6.856 -13.020 -2.689 471 1HG ARG 61 1HG ARG 61 5.331 -15.211 -1.210 472 2HG ARG 61 2HG ARG 61 5.743 -15.322 -2.910 473 1HD ARG 61 1HD ARG 61 7.757 -16.168 -2.282 474 2HD ARG 61 2HD ARG 61 8.170 -14.575 -1.679 475 HE ARG 61 HE ARG 61 7.911 -15.374 0.500 476 1HH1 ARG 61 1HH1 ARG 61 6.185 -17.510 -1.700 477 2HH1 ARG 61 2HH1 ARG 61 5.784 -18.662 -0.471 478 1HH2 ARG 61 1HH2 ARG 61 7.381 -16.893 2.123 479 2HH2 ARG 61 2HH2 ARG 61 6.468 -18.308 1.719 480 H VAL 62 H VAL 62 3.795 -11.619 -1.002 481 HA VAL 62 HA VAL 62 4.647 -9.094 -1.890 482 HB VAL 62 HB VAL 62 2.007 -9.810 -0.612 483 1HG1 VAL 62 1HG1 VAL 62 1.378 -7.763 -1.227 484 2HG1 VAL 62 2HG1 VAL 62 3.023 -7.438 -1.822 485 3HG1 VAL 62 3HG1 VAL 62 1.800 -8.124 -2.918 486 1HG2 VAL 62 1HG2 VAL 62 1.750 -11.373 -2.192 487 2HG2 VAL 62 2HG2 VAL 62 1.709 -10.045 -3.377 488 3HG2 VAL 62 3HG2 VAL 62 3.243 -10.879 -3.027 489 H VAL 63 H VAL 63 2.961 -9.936 1.223 490 HA VAL 63 HA VAL 63 3.412 -7.572 2.496 491 HB VAL 63 HB VAL 63 3.359 -10.373 3.635 492 1HG1 VAL 63 1HG1 VAL 63 3.111 -9.528 5.755 493 2HG1 VAL 63 2HG1 VAL 63 4.191 -8.293 5.064 494 3HG1 VAL 63 3HG1 VAL 63 2.442 -7.980 5.183 495 1HG2 VAL 63 1HG2 VAL 63 1.080 -10.326 3.559 496 2HG2 VAL 63 2HG2 VAL 63 0.996 -8.557 3.735 497 3HG2 VAL 63 3HG2 VAL 63 1.407 -9.276 2.159 498 H GLY 64 H GLY 64 5.612 -10.399 2.148 499 1HA GLY 64 1HA GLY 64 7.611 -9.568 3.912 500 2HA GLY 64 2HA GLY 64 7.815 -10.622 2.527 501 H ALA 65 H ALA 65 6.919 -8.709 0.481 502 HA ALA 65 HA ALA 65 9.395 -7.304 0.187 503 1HB ALA 65 1HB ALA 65 8.685 -8.062 -1.860 504 2HB ALA 65 2HB ALA 65 6.962 -7.912 -1.441 505 3HB ALA 65 3HB ALA 65 7.897 -6.466 -1.893 506 H PHE 66 H PHE 66 5.948 -6.505 0.872 507 HA PHE 66 HA PHE 66 6.131 -3.765 0.652 508 1HB PHE 66 1HB PHE 66 4.503 -5.850 2.095 509 2HB PHE 66 2HB PHE 66 4.370 -4.235 2.761 510 HD1 PHE 66 HD1 PHE 66 3.781 -6.291 -0.235 511 HD2 PHE 66 HD2 PHE 66 3.178 -2.514 1.602 512 HE1 PHE 66 HE1 PHE 66 2.093 -5.703 -1.997 513 HE2 PHE 66 HE2 PHE 66 1.490 -1.926 -0.160 514 HZ PHE 66 HZ PHE 66 0.968 -3.528 -1.939 515 H ASN 67 H ASN 67 7.427 -5.942 3.105 516 HA ASN 67 HA ASN 67 7.609 -3.951 5.104 517 1HB ASN 67 1HB ASN 67 8.684 -6.760 4.711 518 2HB ASN 67 2HB ASN 67 9.382 -5.773 5.980 519 1HD2 ASN 67 1HD2 ASN 67 7.447 -8.176 5.706 520 2HD2 ASN 67 2HD2 ASN 67 6.177 -7.833 6.833 521 H GLN 68 H GLN 68 8.664 -2.886 2.708 522 HA GLN 68 HA GLN 68 11.092 -1.937 3.490 523 1HB GLN 68 1HB GLN 68 12.665 -3.066 1.901 524 2HB GLN 68 2HB GLN 68 12.064 -4.144 3.146 525 1HG GLN 68 1HG GLN 68 10.597 -5.271 1.649 526 2HG GLN 68 2HG GLN 68 10.616 -3.960 0.487 527 1HE2 GLN 68 1HE2 GLN 68 11.026 -6.434 -0.415 528 2HE2 GLN 68 2HE2 GLN 68 12.671 -6.701 -0.885 529 H ALA 69 H ALA 69 8.753 -2.777 0.983 530 HA ALA 69 HA ALA 69 9.768 -0.928 -0.944 531 1HB ALA 69 1HB ALA 69 7.455 -1.425 -1.973 532 2HB ALA 69 2HB ALA 69 8.576 -2.796 -1.790 533 3HB ALA 69 3HB ALA 69 7.242 -2.576 -0.632 534 H LYS 70 H LYS 70 7.726 -0.806 1.913 535 HA LYS 70 HA LYS 70 6.023 1.234 1.418 536 1HB LYS 70 1HB LYS 70 6.100 -0.012 3.511 537 2HB LYS 70 2HB LYS 70 7.641 0.709 3.928 538 1HG LYS 70 1HG LYS 70 6.495 3.002 3.774 539 2HG LYS 70 2HG LYS 70 4.970 2.152 3.622 540 1HD LYS 70 1HD LYS 70 4.882 2.092 5.889 541 2HD LYS 70 2HD LYS 70 6.181 0.918 5.838 542 1HE LYS 70 1HE LYS 70 7.790 2.973 5.717 543 2HE LYS 70 2HE LYS 70 6.404 3.932 6.197 544 1HZ LYS 70 1HZ LYS 70 7.986 2.189 7.760 545 2HZ LYS 70 2HZ LYS 70 6.939 3.345 8.242 546 3HZ LYS 70 3HZ LYS 70 6.398 1.840 7.914 547 H GLY 71 H GLY 71 9.533 1.327 1.474 548 1HA GLY 71 1HA GLY 71 9.975 4.022 2.048 549 2HA GLY 71 2HA GLY 71 11.002 2.980 1.083 550 H VAL 72 H VAL 72 9.441 2.336 -1.131 551 HA VAL 72 HA VAL 72 9.544 4.799 -2.563 552 HB VAL 72 HB VAL 72 8.782 3.340 -4.448 553 1HG1 VAL 72 1HG1 VAL 72 11.161 2.277 -2.887 554 2HG1 VAL 72 2HG1 VAL 72 10.884 2.137 -4.640 555 3HG1 VAL 72 3HG1 VAL 72 11.174 3.734 -3.909 556 1HG2 VAL 72 1HG2 VAL 72 9.134 1.013 -2.548 557 2HG2 VAL 72 2HG2 VAL 72 7.541 1.742 -2.866 558 3HG2 VAL 72 3HG2 VAL 72 8.470 1.016 -4.200 559 H PHE 73 H PHE 73 6.997 2.638 -1.239 560 HA PHE 73 HA PHE 73 4.817 3.748 -2.495 561 1HB PHE 73 1HB PHE 73 5.199 2.741 0.390 562 2HB PHE 73 2HB PHE 73 3.642 2.873 -0.403 563 HD1 PHE 73 HD1 PHE 73 5.334 1.912 -3.084 564 HD2 PHE 73 HD2 PHE 73 4.404 0.346 0.748 565 HE1 PHE 73 HE1 PHE 73 5.589 -0.421 -3.976 566 HE2 PHE 73 HE2 PHE 73 4.659 -1.987 -0.143 567 HZ PHE 73 HZ PHE 73 5.249 -2.342 -2.494 568 H SER 74 H SER 74 6.126 4.584 0.800 569 HA SER 74 HA SER 74 4.382 6.705 1.153 570 1HB SER 74 1HB SER 74 5.837 7.332 3.028 571 2HB SER 74 2HB SER 74 5.630 5.592 2.989 572 HG SER 74 HG SER 74 7.774 6.076 1.464 573 H ARG 75 H ARG 75 7.464 6.375 -0.566 574 HA ARG 75 HA ARG 75 8.094 9.092 -0.600 575 1HB ARG 75 1HB ARG 75 9.889 7.621 -1.115 576 2HB ARG 75 2HB ARG 75 8.923 6.667 -2.223 577 1HG ARG 75 1HG ARG 75 10.500 8.040 -3.506 578 2HG ARG 75 2HG ARG 75 8.866 8.586 -3.828 579 1HD ARG 75 1HD ARG 75 9.251 10.647 -2.910 580 2HD ARG 75 2HD ARG 75 10.054 9.970 -1.507 581 HE ARG 75 HE ARG 75 11.341 10.999 -3.892 582 1HH1 ARG 75 1HH1 ARG 75 11.672 8.580 -1.358 583 2HH1 ARG 75 2HH1 ARG 75 13.398 8.499 -1.485 584 1HH2 ARG 75 1HH2 ARG 75 13.617 10.893 -4.059 585 2HH2 ARG 75 2HH2 ARG 75 14.512 9.824 -3.031 586 H VAL 76 H VAL 76 5.750 7.135 -2.291 587 HA VAL 76 HA VAL 76 5.604 8.637 -4.679 588 HB VAL 76 HB VAL 76 3.600 6.851 -3.286 589 1HG1 VAL 76 1HG1 VAL 76 3.204 8.581 -5.480 590 2HG1 VAL 76 2HG1 VAL 76 3.352 6.945 -6.165 591 3HG1 VAL 76 3HG1 VAL 76 2.132 7.279 -4.912 592 1HG2 VAL 76 1HG2 VAL 76 5.028 5.216 -3.827 593 2HG2 VAL 76 2HG2 VAL 76 4.620 5.543 -5.528 594 3HG2 VAL 76 3HG2 VAL 76 6.042 6.318 -4.789 595 H LEU 77 H LEU 77 3.390 8.516 -1.792 596 HA LEU 77 HA LEU 77 1.953 10.784 -2.578 597 1HB LEU 77 1HB LEU 77 2.135 10.149 0.302 598 2HB LEU 77 2HB LEU 77 0.735 10.439 -0.711 599 HG LEU 77 HG LEU 77 1.515 8.059 -1.723 600 1HD1 LEU 77 1HD1 LEU 77 3.349 8.184 0.193 601 2HD1 LEU 77 2HD1 LEU 77 2.016 7.519 1.168 602 3HD1 LEU 77 3HD1 LEU 77 2.578 6.650 -0.281 603 1HD2 LEU 77 1HD2 LEU 77 -0.136 8.198 0.801 604 2HD2 LEU 77 2HD2 LEU 77 -0.712 8.827 -0.762 605 3HD2 LEU 77 3HD2 LEU 77 -0.313 7.101 -0.590 606 H ALA 78 H ALA 78 5.105 10.362 -1.122 607 HA ALA 78 HA ALA 78 5.245 12.838 0.215 608 1HB ALA 78 1HB ALA 78 7.136 11.852 0.915 609 2HB ALA 78 2HB ALA 78 6.874 10.535 -0.253 610 3HB ALA 78 3HB ALA 78 7.817 11.969 -0.726 611 H HIS 79 H HIS 79 6.439 11.728 -3.034 612 HA HIS 79 HA HIS 79 7.576 13.984 -3.920 613 1HB HIS 79 1HB HIS 79 6.609 11.598 -5.039 614 2HB HIS 79 2HB HIS 79 5.873 12.869 -5.994 615 HD1 HIS 79 HD1 HIS 79 9.101 11.142 -5.377 616 HD2 HIS 79 HD2 HIS 79 7.771 14.604 -7.336 617 HE1 HIS 79 HE1 HIS 79 11.018 11.891 -6.885 618 HE2 HIS 79 HE2 HIS 79 10.122 13.990 -8.103 619 H ASN 80 H ASN 80 4.146 13.444 -3.263 620 HA ASN 80 HA ASN 80 3.285 15.673 -4.770 621 1HB ASN 80 1HB ASN 80 2.094 13.518 -3.254 622 2HB ASN 80 2HB ASN 80 1.440 15.018 -2.628 623 1HD2 ASN 80 1HD2 ASN 80 1.621 12.833 -5.284 624 2HD2 ASN 80 2HD2 ASN 80 0.459 13.580 -6.328 625 H LEU 81 H LEU 81 3.621 14.894 -1.222 626 HA LEU 81 HA LEU 81 3.821 17.785 -0.730 627 1HB LEU 81 1HB LEU 81 1.967 15.903 0.287 628 2HB LEU 81 2HB LEU 81 3.046 16.314 1.606 629 HG LEU 81 HG LEU 81 1.108 17.751 1.649 630 1HD1 LEU 81 1HD1 LEU 81 3.493 18.620 2.140 631 2HD1 LEU 81 2HD1 LEU 81 3.305 19.535 0.625 632 3HD1 LEU 81 3HD1 LEU 81 2.167 19.795 1.969 633 1HD2 LEU 81 1HD2 LEU 81 1.845 18.857 -1.062 634 2HD2 LEU 81 2HD2 LEU 81 0.679 17.528 -0.853 635 3HD2 LEU 81 3HD2 LEU 81 0.360 19.116 -0.115 636 H TYR 82 H TYR 82 4.640 14.566 0.756 637 HA TYR 82 HA TYR 82 6.467 13.860 1.794 638 1HB TYR 82 1HB TYR 82 7.694 14.082 -0.249 639 2HB TYR 82 2HB TYR 82 7.392 15.805 -0.347 640 HD1 TYR 82 HD1 TYR 82 9.126 13.482 2.053 641 HD2 TYR 82 HD2 TYR 82 9.280 17.128 -0.180 642 HE1 TYR 82 HE1 TYR 82 11.454 13.949 2.961 643 HE2 TYR 82 HE2 TYR 82 11.608 17.582 0.735 644 HH TYR 82 HH TYR 82 12.803 16.635 3.162 645 H LEU 83 H LEU 83 6.637 14.288 3.939 646 HA LEU 83 HA LEU 83 8.112 16.560 4.784 647 1HB LEU 83 1HB LEU 83 5.895 17.581 4.328 648 2HB LEU 83 2HB LEU 83 5.180 16.502 5.509 649 HG LEU 83 HG LEU 83 7.470 18.133 6.468 650 1HD1 LEU 83 1HD1 LEU 83 5.788 19.515 4.893 651 2HD1 LEU 83 2HD1 LEU 83 4.888 19.596 6.427 652 3HD1 LEU 83 3HD1 LEU 83 6.560 20.200 6.344 653 1HD2 LEU 83 1HD2 LEU 83 6.625 17.109 8.278 654 2HD2 LEU 83 2HD2 LEU 83 5.435 18.431 8.251 655 3HD2 LEU 83 3HD2 LEU 83 5.032 16.856 7.527 656 H ALA 84 H ALA 84 8.200 16.569 7.297 657 HA ALA 84 HA ALA 84 9.208 14.297 8.238 658 1HB ALA 84 1HB ALA 84 8.890 16.650 9.317 659 2HB ALA 84 2HB ALA 84 7.405 15.956 10.012 660 3HB ALA 84 3HB ALA 84 8.987 15.230 10.385 661 H LYS 85 H LYS 85 5.712 15.107 8.021 662 HA LYS 85 HA LYS 85 5.088 12.314 8.077 663 1HB LYS 85 1HB LYS 85 3.501 12.528 10.010 664 2HB LYS 85 2HB LYS 85 5.200 12.545 10.437 665 1HG LYS 85 1HG LYS 85 4.761 14.467 11.571 666 2HG LYS 85 2HG LYS 85 4.675 15.251 10.007 667 1HD LYS 85 1HD LYS 85 2.501 15.736 10.426 668 2HD LYS 85 2HD LYS 85 2.141 14.024 10.327 669 1HE LYS 85 1HE LYS 85 1.597 14.050 12.529 670 2HE LYS 85 2HE LYS 85 3.273 14.392 12.910 671 1HZ LYS 85 1HZ LYS 85 2.563 16.339 13.615 672 2HZ LYS 85 2HZ LYS 85 2.221 16.765 12.076 673 3HZ LYS 85 3HZ LYS 85 1.057 16.117 13.021 674 H ALA 86 H ALA 86 4.807 13.724 5.901 675 HA ALA 86 HA ALA 86 2.232 15.070 5.918 676 1HB ALA 86 1HB ALA 86 3.479 16.322 4.501 677 2HB ALA 86 2HB ALA 86 4.667 15.020 4.251 678 3HB ALA 86 3HB ALA 86 3.154 15.036 3.313 679 H VAL 87 H VAL 87 3.820 12.048 4.884 680 HA VAL 87 HA VAL 87 1.232 10.864 4.503 681 HB VAL 87 HB VAL 87 1.668 10.111 2.224 682 1HG1 VAL 87 1HG1 VAL 87 0.356 12.190 2.678 683 2HG1 VAL 87 2HG1 VAL 87 1.838 13.136 2.400 684 3HG1 VAL 87 3HG1 VAL 87 1.139 12.169 1.079 685 1HG2 VAL 87 1HG2 VAL 87 3.869 10.069 1.678 686 2HG2 VAL 87 2HG2 VAL 87 3.526 11.707 1.071 687 3HG2 VAL 87 3HG2 VAL 87 4.258 11.488 2.679 688 H GLN 88 H GLN 88 1.609 8.427 3.837 689 HA GLN 88 HA GLN 88 3.923 7.136 4.002 690 1HB GLN 88 1HB GLN 88 3.371 8.330 6.592 691 2HB GLN 88 2HB GLN 88 3.351 6.585 6.744 692 1HG GLN 88 1HG GLN 88 5.577 6.524 5.499 693 2HG GLN 88 2HG GLN 88 5.604 8.275 5.563 694 1HE2 GLN 88 1HE2 GLN 88 7.334 8.526 6.856 695 2HE2 GLN 88 2HE2 GLN 88 7.417 8.046 8.518 696 H ILE 89 H ILE 89 3.153 5.294 3.069 697 HA ILE 89 HA ILE 89 0.482 4.434 3.574 698 HB ILE 89 HB ILE 89 2.764 3.360 1.928 699 1HG1 ILE 89 1HG1 ILE 89 0.120 4.614 1.132 700 2HG1 ILE 89 2HG1 ILE 89 1.654 5.459 1.185 701 1HG2 ILE 89 1HG2 ILE 89 1.790 1.374 1.801 702 2HG2 ILE 89 2HG2 ILE 89 0.500 1.907 2.906 703 3HG2 ILE 89 3HG2 ILE 89 0.324 2.145 1.151 704 1HD1 ILE 89 1HD1 ILE 89 0.712 4.226 -1.051 705 2HD1 ILE 89 2HD1 ILE 89 2.448 4.439 -0.722 706 3HD1 ILE 89 3HD1 ILE 89 1.655 2.890 -0.347 707 H HIS 90 H HIS 90 -0.217 3.141 5.185 708 HA HIS 90 HA HIS 90 1.837 1.748 6.712 709 1HB HIS 90 1HB HIS 90 0.149 3.405 7.735 710 2HB HIS 90 2HB HIS 90 -1.046 2.142 7.516 711 HD1 HIS 90 HD1 HIS 90 0.274 3.360 10.279 712 HD2 HIS 90 HD2 HIS 90 0.912 -0.401 8.536 713 HE1 HIS 90 HE1 HIS 90 1.059 1.825 12.159 714 HE2 HIS 90 HE2 HIS 90 1.382 -0.485 11.038 715 H PHE 91 H PHE 91 2.012 -0.454 6.692 716 HA PHE 91 HA PHE 91 0.326 -1.875 4.863 717 1HB PHE 91 1HB PHE 91 2.013 -3.559 5.153 718 2HB PHE 91 2HB PHE 91 2.907 -2.078 5.435 719 HD1 PHE 91 HD1 PHE 91 1.044 -4.741 7.250 720 HD2 PHE 91 HD2 PHE 91 4.109 -1.812 7.409 721 HE1 PHE 91 HE1 PHE 91 1.739 -5.591 9.507 722 HE2 PHE 91 HE2 PHE 91 4.805 -2.661 9.666 723 HZ PHE 91 HZ PHE 91 3.612 -4.541 10.688 724 H VAL 92 H VAL 92 -1.256 -3.406 5.324 725 HA VAL 92 HA VAL 92 -1.688 -4.055 8.137 726 HB VAL 92 HB VAL 92 -3.585 -2.653 6.281 727 1HG1 VAL 92 1HG1 VAL 92 -4.400 -4.344 8.671 728 2HG1 VAL 92 2HG1 VAL 92 -5.468 -3.281 7.723 729 3HG1 VAL 92 3HG1 VAL 92 -4.738 -4.715 6.963 730 1HG2 VAL 92 1HG2 VAL 92 -2.860 -1.025 7.675 731 2HG2 VAL 92 2HG2 VAL 92 -4.063 -1.719 8.788 732 3HG2 VAL 92 3HG2 VAL 92 -2.349 -2.177 8.932 733 H LYS 93 H LYS 93 -3.306 -5.918 8.330 734 HA LYS 93 HA LYS 93 -3.582 -7.489 5.923 735 1HB LYS 93 1HB LYS 93 -2.526 -9.478 7.278 736 2HB LYS 93 2HB LYS 93 -1.522 -8.403 6.326 737 1HG LYS 93 1HG LYS 93 -0.493 -7.520 8.173 738 2HG LYS 93 2HG LYS 93 -1.992 -7.403 9.074 739 1HD LYS 93 1HD LYS 93 -0.984 -9.072 10.319 740 2HD LYS 93 2HD LYS 93 -1.763 -10.086 9.120 741 1HE LYS 93 1HE LYS 93 0.437 -10.906 9.059 742 2HE LYS 93 2HE LYS 93 0.463 -9.756 7.738 743 1HZ LYS 93 1HZ LYS 93 1.640 -8.261 8.980 744 2HZ LYS 93 2HZ LYS 93 1.164 -8.864 10.421 745 3HZ LYS 93 3HZ LYS 93 2.269 -9.666 9.526 746 H ASP 94 H ASP 94 -3.892 -7.275 9.519 747 HA ASP 94 HA ASP 94 -6.657 -7.750 9.302 748 1HB ASP 94 1HB ASP 94 -5.636 -10.099 9.122 749 2HB ASP 94 2HB ASP 94 -5.023 -9.883 10.750 750 H LYS 95 H LYS 95 -5.585 -5.553 10.350 751 HA LYS 95 HA LYS 95 -4.951 -5.957 13.152 752 1HB LYS 95 1HB LYS 95 -3.967 -4.238 11.281 753 2HB LYS 95 2HB LYS 95 -5.164 -3.216 12.051 754 1HG LYS 95 1HG LYS 95 -3.815 -2.934 13.850 755 2HG LYS 95 2HG LYS 95 -3.782 -4.663 14.131 756 1HD LYS 95 1HD LYS 95 -1.737 -4.937 13.097 757 2HD LYS 95 2HD LYS 95 -2.080 -3.743 11.861 758 1HE LYS 95 1HE LYS 95 -1.919 -2.415 14.445 759 2HE LYS 95 2HE LYS 95 -0.495 -3.411 14.223 760 1HZ LYS 95 1HZ LYS 95 0.214 -2.115 12.579 761 2HZ LYS 95 2HZ LYS 95 -1.260 -1.922 11.904 762 3HZ LYS 95 3HZ LYS 95 -0.816 -0.994 13.172 763 H ALA 96 H ALA 96 -7.701 -6.392 11.718 764 HA ALA 96 HA ALA 96 -9.338 -4.382 12.961 765 1HB ALA 96 1HB ALA 96 -9.608 -5.906 10.741 766 2HB ALA 96 2HB ALA 96 -10.503 -6.916 11.901 767 3HB ALA 96 3HB ALA 96 -10.995 -5.227 11.627 768 H ILE 97 H ILE 97 -8.505 -7.864 13.447 769 HA ILE 97 HA ILE 97 -10.134 -7.937 15.833 770 HB ILE 97 HB ILE 97 -9.798 -9.783 14.048 771 1HG1 ILE 97 1HG1 ILE 97 -9.526 -10.811 16.851 772 2HG1 ILE 97 2HG1 ILE 97 -10.897 -9.793 16.454 773 1HG2 ILE 97 1HG2 ILE 97 -7.719 -11.016 15.680 774 2HG2 ILE 97 2HG2 ILE 97 -7.870 -10.890 13.911 775 3HG2 ILE 97 3HG2 ILE 97 -7.153 -9.552 14.840 776 1HD1 ILE 97 1HD1 ILE 97 -10.470 -11.794 14.362 777 2HD1 ILE 97 2HD1 ILE 97 -10.652 -12.560 15.958 778 3HD1 ILE 97 3HD1 ILE 97 -11.924 -11.479 15.340 779 H ASP 98 H ASP 98 -8.378 -5.899 16.182 780 HA ASP 98 HA ASP 98 -5.961 -6.835 17.319 781 1HB ASP 98 1HB ASP 98 -6.804 -4.435 16.317 782 2HB ASP 98 2HB ASP 98 -7.039 -4.126 18.026 783 H ASN 99 H ASN 99 -8.089 -8.222 18.542 784 HA ASN 99 HA ASN 99 -8.004 -7.065 21.205 785 1HB ASN 99 1HB ASN 99 -10.298 -6.820 19.912 786 2HB ASN 99 2HB ASN 99 -10.466 -8.543 20.186 787 1HD2 ASN 99 1HD2 ASN 99 -12.105 -8.528 21.602 788 2HD2 ASN 99 2HD2 ASN 99 -12.054 -7.841 23.191 789 H ALA 100 H ALA 100 -8.677 -9.895 19.045 790 HA ALA 100 HA ALA 100 -7.281 -11.605 20.934 791 1HB ALA 100 1HB ALA 100 -9.578 -13.053 20.028 792 2HB ALA 100 2HB ALA 100 -9.136 -12.613 21.695 793 3HB ALA 100 3HB ALA 100 -10.142 -11.514 20.721 794 H MET 101 H MET 101 -6.793 -13.777 19.892 795 HA MET 101 HA MET 101 -7.239 -14.231 17.221 796 1HB MET 101 1HB MET 101 -5.630 -12.084 17.288 797 2HB MET 101 2HB MET 101 -4.379 -13.268 17.612 798 1HG MET 101 1HG MET 101 -4.840 -14.446 15.522 799 2HG MET 101 2HG MET 101 -6.290 -13.503 15.242 800 1HE MET 101 1HE MET 101 -2.085 -12.851 14.274 801 2HE MET 101 2HE MET 101 -2.199 -12.123 15.895 802 3HE MET 101 3HE MET 101 -2.732 -13.801 15.632 Start of MODEL 3 1 H LYS 6 H LYS 6 -14.260 4.309 -10.920 2 HA LYS 6 HA LYS 6 -11.710 3.233 -11.541 3 1HB LYS 6 1HB LYS 6 -12.088 5.213 -13.199 4 2HB LYS 6 2HB LYS 6 -11.809 6.231 -11.801 5 1HG LYS 6 1HG LYS 6 -9.635 5.003 -11.389 6 2HG LYS 6 2HG LYS 6 -9.908 4.084 -12.856 7 1HD LYS 6 1HD LYS 6 -8.600 5.799 -13.723 8 2HD LYS 6 2HD LYS 6 -10.187 6.506 -13.954 9 1HE LYS 6 1HE LYS 6 -9.069 7.030 -11.259 10 2HE LYS 6 2HE LYS 6 -8.076 7.678 -12.550 11 1HZ LYS 6 1HZ LYS 6 -10.685 8.248 -13.199 12 2HZ LYS 6 2HZ LYS 6 -10.532 8.617 -11.616 13 3HZ LYS 6 3HZ LYS 6 -9.533 9.299 -12.713 14 H GLU 7 H GLU 7 -13.668 3.254 -9.371 15 HA GLU 7 HA GLU 7 -13.948 3.940 -7.270 16 1HB GLU 7 1HB GLU 7 -11.639 2.306 -7.680 17 2HB GLU 7 2HB GLU 7 -11.228 3.430 -6.399 18 1HG GLU 7 1HG GLU 7 -12.398 2.115 -4.969 19 2HG GLU 7 2HG GLU 7 -13.863 2.631 -5.781 20 H ARG 8 H ARG 8 -13.467 6.269 -8.806 21 HA ARG 8 HA ARG 8 -12.601 8.280 -8.789 22 1HB ARG 8 1HB ARG 8 -12.831 8.282 -5.766 23 2HB ARG 8 2HB ARG 8 -13.299 9.536 -6.898 24 1HG ARG 8 1HG ARG 8 -15.196 8.170 -7.697 25 2HG ARG 8 2HG ARG 8 -14.693 6.825 -6.691 26 1HD ARG 8 1HD ARG 8 -14.920 8.486 -4.681 27 2HD ARG 8 2HD ARG 8 -15.797 9.517 -5.794 28 HE ARG 8 HE ARG 8 -16.782 7.080 -4.572 29 1HH1 ARG 8 1HH1 ARG 8 -17.003 9.030 -7.493 30 2HH1 ARG 8 2HH1 ARG 8 -18.587 8.463 -7.905 31 1HH2 ARG 8 1HH2 ARG 8 -18.872 6.332 -5.115 32 2HH2 ARG 8 2HH2 ARG 8 -19.657 6.917 -6.543 33 H LEU 9 H LEU 9 -11.302 9.522 -6.267 34 HA LEU 9 HA LEU 9 -8.671 9.284 -7.010 35 1HB LEU 9 1HB LEU 9 -8.241 10.710 -5.318 36 2HB LEU 9 2HB LEU 9 -9.976 10.929 -5.439 37 HG LEU 9 HG LEU 9 -8.861 8.911 -3.509 38 1HD1 LEU 9 1HD1 LEU 9 -7.778 11.310 -3.355 39 2HD1 LEU 9 2HD1 LEU 9 -9.326 11.715 -2.575 40 3HD1 LEU 9 3HD1 LEU 9 -8.294 10.434 -1.895 41 1HD2 LEU 9 1HD2 LEU 9 -10.902 9.029 -2.460 42 2HD2 LEU 9 2HD2 LEU 9 -11.229 10.684 -3.030 43 3HD2 LEU 9 3HD2 LEU 9 -11.374 9.310 -4.153 44 H GLU 10 H GLU 10 -10.566 7.383 -4.611 45 HA GLU 10 HA GLU 10 -8.718 6.062 -3.285 46 1HB GLU 10 1HB GLU 10 -11.393 5.702 -3.720 47 2HB GLU 10 2HB GLU 10 -10.769 4.267 -4.509 48 1HG GLU 10 1HG GLU 10 -10.990 3.484 -2.319 49 2HG GLU 10 2HG GLU 10 -9.318 4.008 -2.301 50 H ASN 11 H ASN 11 -9.930 4.878 -6.512 51 HA ASN 11 HA ASN 11 -8.113 2.866 -6.777 52 1HB ASN 11 1HB ASN 11 -10.181 3.623 -8.265 53 2HB ASN 11 2HB ASN 11 -8.988 4.534 -9.168 54 1HD2 ASN 11 1HD2 ASN 11 -9.909 1.335 -8.025 55 2HD2 ASN 11 2HD2 ASN 11 -9.091 0.405 -9.235 56 H ASP 12 H ASP 12 -8.015 6.252 -8.138 57 HA ASP 12 HA ASP 12 -5.785 6.307 -9.489 58 1HB ASP 12 1HB ASP 12 -7.360 8.212 -8.242 59 2HB ASP 12 2HB ASP 12 -5.831 8.455 -7.420 60 H ILE 13 H ILE 13 -5.994 6.496 -5.863 61 HA ILE 13 HA ILE 13 -3.235 6.684 -5.424 62 HB ILE 13 HB ILE 13 -5.469 5.678 -3.657 63 1HG1 ILE 13 1HG1 ILE 13 -4.367 8.299 -3.049 64 2HG1 ILE 13 2HG1 ILE 13 -4.985 8.243 -4.688 65 1HG2 ILE 13 1HG2 ILE 13 -3.826 6.395 -1.823 66 2HG2 ILE 13 2HG2 ILE 13 -3.524 4.850 -2.654 67 3HG2 ILE 13 3HG2 ILE 13 -2.573 6.292 -3.083 68 1HD1 ILE 13 1HD1 ILE 13 -7.097 7.111 -3.683 69 2HD1 ILE 13 2HD1 ILE 13 -6.473 7.651 -2.106 70 3HD1 ILE 13 3HD1 ILE 13 -6.869 8.847 -3.363 71 H ILE 14 H ILE 14 -5.500 3.850 -5.389 72 HA ILE 14 HA ILE 14 -3.686 1.915 -4.728 73 HB ILE 14 HB ILE 14 -6.236 2.019 -6.241 74 1HG1 ILE 14 1HG1 ILE 14 -6.819 0.297 -4.488 75 2HG1 ILE 14 2HG1 ILE 14 -5.227 0.540 -3.797 76 1HG2 ILE 14 1HG2 ILE 14 -6.140 -0.439 -6.643 77 2HG2 ILE 14 2HG2 ILE 14 -5.029 0.508 -7.662 78 3HG2 ILE 14 3HG2 ILE 14 -4.402 -0.391 -6.260 79 1HD1 ILE 14 1HD1 ILE 14 -5.771 3.037 -3.654 80 2HD1 ILE 14 2HD1 ILE 14 -7.441 2.612 -4.100 81 3HD1 ILE 14 3HD1 ILE 14 -6.736 1.985 -2.590 82 H ARG 15 H ARG 15 -4.619 2.913 -8.100 83 HA ARG 15 HA ARG 15 -2.695 1.359 -9.300 84 1HB ARG 15 1HB ARG 15 -4.580 2.327 -10.552 85 2HB ARG 15 2HB ARG 15 -4.028 3.955 -10.215 86 1HG ARG 15 1HG ARG 15 -1.977 3.580 -11.544 87 2HG ARG 15 2HG ARG 15 -2.413 1.902 -11.799 88 1HD ARG 15 1HD ARG 15 -3.510 2.554 -13.680 89 2HD ARG 15 2HD ARG 15 -4.696 3.330 -12.649 90 HE ARG 15 HE ARG 15 -3.763 5.419 -13.169 91 1HH1 ARG 15 1HH1 ARG 15 -1.526 2.873 -14.114 92 2HH1 ARG 15 2HH1 ARG 15 -0.454 3.949 -14.948 93 1HH2 ARG 15 1HH2 ARG 15 -2.350 6.839 -14.269 94 2HH2 ARG 15 2HH2 ARG 15 -0.926 6.219 -15.037 95 H LEU 16 H LEU 16 -2.385 4.214 -7.392 96 HA LEU 16 HA LEU 16 -0.201 5.428 -8.687 97 1HB LEU 16 1HB LEU 16 -1.886 6.177 -6.764 98 2HB LEU 16 2HB LEU 16 -0.568 5.639 -5.742 99 HG LEU 16 HG LEU 16 0.959 7.177 -7.044 100 1HD1 LEU 16 1HD1 LEU 16 -1.000 7.305 -8.890 101 2HD1 LEU 16 2HD1 LEU 16 -1.362 8.778 -7.960 102 3HD1 LEU 16 3HD1 LEU 16 0.249 8.557 -8.684 103 1HD2 LEU 16 1HD2 LEU 16 0.670 8.355 -5.185 104 2HD2 LEU 16 2HD2 LEU 16 -0.644 9.232 -6.006 105 3HD2 LEU 16 3HD2 LEU 16 -1.012 7.795 -5.022 106 H ILE 17 H ILE 17 -0.243 3.516 -5.592 107 HA ILE 17 HA ILE 17 2.478 3.176 -5.444 108 HB ILE 17 HB ILE 17 0.082 1.829 -4.334 109 1HG1 ILE 17 1HG1 ILE 17 0.934 3.788 -3.228 110 2HG1 ILE 17 2HG1 ILE 17 1.218 2.392 -2.208 111 1HG2 ILE 17 1HG2 ILE 17 1.259 -0.155 -4.806 112 2HG2 ILE 17 2HG2 ILE 17 2.826 0.569 -4.371 113 3HG2 ILE 17 3HG2 ILE 17 1.625 0.220 -3.105 114 1HD1 ILE 17 1HD1 ILE 17 3.151 4.243 -3.352 115 2HD1 ILE 17 2HD1 ILE 17 3.404 2.974 -2.130 116 3HD1 ILE 17 3HD1 ILE 17 3.519 2.578 -3.862 117 H ASN 18 H ASN 18 0.062 1.522 -7.455 118 HA ASN 18 HA ASN 18 1.602 -0.697 -8.069 119 1HB ASN 18 1HB ASN 18 -0.538 0.770 -9.699 120 2HB ASN 18 2HB ASN 18 0.094 -0.807 -10.131 121 1HD2 ASN 18 1HD2 ASN 18 -2.058 -1.574 -9.946 122 2HD2 ASN 18 2HD2 ASN 18 -2.747 -1.983 -8.410 123 H ARG 19 H ARG 19 1.036 2.461 -9.799 124 HA ARG 19 HA ARG 19 2.525 2.064 -11.985 125 1HB ARG 19 1HB ARG 19 1.560 4.359 -10.458 126 2HB ARG 19 2HB ARG 19 3.132 4.729 -11.137 127 1HG ARG 19 1HG ARG 19 0.869 3.530 -12.794 128 2HG ARG 19 2HG ARG 19 1.103 5.259 -12.627 129 1HD ARG 19 1HD ARG 19 3.492 3.605 -13.439 130 2HD ARG 19 2HD ARG 19 2.236 3.854 -14.635 131 HE ARG 19 HE ARG 19 2.787 6.384 -13.458 132 1HH1 ARG 19 1HH1 ARG 19 4.408 3.989 -15.463 133 2HH1 ARG 19 2HH1 ARG 19 5.427 5.149 -16.248 134 1HH2 ARG 19 1HH2 ARG 19 4.132 7.914 -14.492 135 2HH2 ARG 19 2HH2 ARG 19 5.269 7.397 -15.692 136 H THR 20 H THR 20 3.633 2.755 -8.654 137 HA THR 20 HA THR 20 6.360 3.204 -9.440 138 HB THR 20 HB THR 20 4.669 3.629 -7.161 139 HG1 THR 20 HG1 THR 20 7.559 3.914 -7.588 140 1HG2 THR 20 1HG2 THR 20 7.143 1.905 -6.624 141 2HG2 THR 20 2HG2 THR 20 6.356 2.916 -5.388 142 3HG2 THR 20 3HG2 THR 20 5.473 1.554 -6.119 143 H VAL 21 H VAL 21 4.657 0.566 -7.618 144 HA VAL 21 HA VAL 21 6.633 -1.151 -7.201 145 HB VAL 21 HB VAL 21 3.885 -1.725 -8.319 146 1HG1 VAL 21 1HG1 VAL 21 6.093 -3.539 -7.776 147 2HG1 VAL 21 2HG1 VAL 21 4.685 -3.899 -6.748 148 3HG1 VAL 21 3HG1 VAL 21 4.508 -3.862 -8.519 149 1HG2 VAL 21 1HG2 VAL 21 4.463 -2.295 -5.491 150 2HG2 VAL 21 2HG2 VAL 21 4.593 -0.573 -5.923 151 3HG2 VAL 21 3HG2 VAL 21 3.080 -1.458 -6.236 152 H ILE 22 H ILE 22 5.463 -0.093 -10.357 153 HA ILE 22 HA ILE 22 6.219 -2.103 -12.008 154 HB ILE 22 HB ILE 22 6.511 0.880 -12.358 155 1HG1 ILE 22 1HG1 ILE 22 4.230 0.054 -11.854 156 2HG1 ILE 22 2HG1 ILE 22 4.369 0.780 -13.444 157 1HG2 ILE 22 1HG2 ILE 22 7.876 -0.735 -13.915 158 2HG2 ILE 22 2HG2 ILE 22 6.287 -1.013 -14.668 159 3HG2 ILE 22 3HG2 ILE 22 6.962 0.633 -14.596 160 1HD1 ILE 22 1HD1 ILE 22 3.383 -1.799 -12.839 161 2HD1 ILE 22 2HD1 ILE 22 3.735 -1.145 -14.457 162 3HD1 ILE 22 3HD1 ILE 22 4.976 -2.075 -13.583 163 H HIS 23 H HIS 23 8.456 0.654 -12.157 164 HA HIS 23 HA HIS 23 10.629 -1.270 -11.963 165 1HB HIS 23 1HB HIS 23 10.107 0.716 -13.781 166 2HB HIS 23 2HB HIS 23 11.233 1.521 -12.707 167 HD1 HIS 23 HD1 HIS 23 13.688 0.612 -12.611 168 HD2 HIS 23 HD2 HIS 23 11.194 -1.395 -15.322 169 HE1 HIS 23 HE1 HIS 23 15.222 -0.792 -14.088 170 HE2 HIS 23 HE2 HIS 23 13.629 -2.044 -15.698 171 H GLU 24 H GLU 24 9.430 -0.855 -9.513 172 HA GLU 24 HA GLU 24 11.467 0.767 -8.215 173 1HB GLU 24 1HB GLU 24 8.478 0.900 -7.894 174 2HB GLU 24 2HB GLU 24 9.458 1.125 -6.459 175 1HG GLU 24 1HG GLU 24 9.462 3.318 -7.170 176 2HG GLU 24 2HG GLU 24 10.826 2.768 -8.124 177 H ILE 25 H ILE 25 8.714 -1.485 -7.415 178 HA ILE 25 HA ILE 25 10.214 -2.646 -5.286 179 HB ILE 25 HB ILE 25 7.642 -3.585 -6.556 180 1HG1 ILE 25 1HG1 ILE 25 7.851 -1.107 -5.678 181 2HG1 ILE 25 2HG1 ILE 25 6.428 -2.075 -5.347 182 1HG2 ILE 25 1HG2 ILE 25 7.223 -4.654 -4.418 183 2HG2 ILE 25 2HG2 ILE 25 8.760 -5.231 -5.105 184 3HG2 ILE 25 3HG2 ILE 25 8.768 -4.043 -3.780 185 1HD1 ILE 25 1HD1 ILE 25 8.810 -1.754 -3.463 186 2HD1 ILE 25 2HD1 ILE 25 7.237 -0.937 -3.295 187 3HD1 ILE 25 3HD1 ILE 25 7.344 -2.706 -3.126 188 H TYR 26 H TYR 26 12.089 -2.971 -6.974 189 HA TYR 26 HA TYR 26 12.064 -4.796 -8.969 190 1HB TYR 26 1HB TYR 26 13.896 -3.341 -7.503 191 2HB TYR 26 2HB TYR 26 14.232 -4.932 -6.848 192 HD1 TYR 26 HD1 TYR 26 13.872 -3.182 -10.146 193 HD2 TYR 26 HD2 TYR 26 15.784 -6.299 -7.925 194 HE1 TYR 26 HE1 TYR 26 15.369 -3.692 -12.137 195 HE2 TYR 26 HE2 TYR 26 17.274 -6.799 -9.923 196 HH TYR 26 HH TYR 26 17.942 -4.893 -12.192 197 H ASN 27 H ASN 27 10.810 -6.652 -8.834 198 HA ASN 27 HA ASN 27 11.753 -8.929 -8.005 199 1HB ASN 27 1HB ASN 27 10.915 -7.401 -5.610 200 2HB ASN 27 2HB ASN 27 10.122 -8.962 -5.704 201 1HD2 ASN 27 1HD2 ASN 27 12.609 -7.473 -4.364 202 2HD2 ASN 27 2HD2 ASN 27 13.801 -8.727 -4.272 203 H GLU 28 H GLU 28 9.130 -6.706 -8.443 204 HA GLU 28 HA GLU 28 7.029 -6.876 -8.996 205 1HB GLU 28 1HB GLU 28 6.487 -8.437 -10.769 206 2HB GLU 28 2HB GLU 28 8.152 -7.934 -10.984 207 1HG GLU 28 1HG GLU 28 9.021 -10.007 -10.223 208 2HG GLU 28 2HG GLU 28 7.552 -10.423 -9.363 209 H THR 29 H THR 29 7.717 -7.940 -6.358 210 HA THR 29 HA THR 29 6.128 -10.326 -6.015 211 HB THR 29 HB THR 29 7.935 -8.552 -4.373 212 HG1 THR 29 HG1 THR 29 7.409 -11.430 -4.547 213 1HG2 THR 29 1HG2 THR 29 5.707 -10.330 -3.301 214 2HG2 THR 29 2HG2 THR 29 7.243 -10.167 -2.417 215 3HG2 THR 29 3HG2 THR 29 6.228 -8.734 -2.710 216 H VAL 30 H VAL 30 5.955 -7.105 -4.360 217 HA VAL 30 HA VAL 30 3.327 -7.457 -3.553 218 HB VAL 30 HB VAL 30 3.418 -5.230 -2.867 219 1HG1 VAL 30 1HG1 VAL 30 5.503 -6.926 -2.310 220 2HG1 VAL 30 2HG1 VAL 30 6.356 -5.457 -2.844 221 3HG1 VAL 30 3HG1 VAL 30 5.197 -5.373 -1.495 222 1HG2 VAL 30 1HG2 VAL 30 5.130 -3.607 -3.820 223 2HG2 VAL 30 2HG2 VAL 30 5.383 -4.786 -5.129 224 3HG2 VAL 30 3HG2 VAL 30 3.781 -4.047 -4.895 225 H LYS 31 H LYS 31 4.601 -7.036 -6.703 226 HA LYS 31 HA LYS 31 2.571 -5.453 -7.834 227 1HB LYS 31 1HB LYS 31 4.767 -5.790 -8.870 228 2HB LYS 31 2HB LYS 31 4.429 -7.495 -9.090 229 1HG LYS 31 1HG LYS 31 3.233 -7.100 -10.981 230 2HG LYS 31 2HG LYS 31 2.235 -5.905 -10.176 231 1HD LYS 31 1HD LYS 31 4.763 -4.652 -10.484 232 2HD LYS 31 2HD LYS 31 4.496 -5.501 -11.993 233 1HE LYS 31 1HE LYS 31 3.159 -3.773 -12.618 234 2HE LYS 31 2HE LYS 31 1.989 -4.350 -11.449 235 1HZ LYS 31 1HZ LYS 31 4.073 -2.335 -11.016 236 2HZ LYS 31 2HZ LYS 31 2.455 -2.133 -10.929 237 3HZ LYS 31 3HZ LYS 31 3.232 -3.004 -9.787 238 H THR 32 H THR 32 2.381 -8.441 -6.306 239 HA THR 32 HA THR 32 0.260 -9.414 -8.081 240 HB THR 32 HB THR 32 2.231 -10.879 -7.283 241 HG1 THR 32 HG1 THR 32 0.124 -11.700 -8.007 242 1HG2 THR 32 1HG2 THR 32 2.025 -11.841 -5.031 243 2HG2 THR 32 2HG2 THR 32 2.184 -10.076 -4.865 244 3HG2 THR 32 3HG2 THR 32 0.588 -10.845 -4.699 245 H GLY 33 H GLY 33 0.891 -8.087 -4.835 246 1HA GLY 33 1HA GLY 33 -1.473 -8.716 -3.560 247 2HA GLY 33 2HA GLY 33 -0.525 -7.266 -3.294 248 H HIS 34 H HIS 34 -1.389 -5.296 -3.857 249 HA HIS 34 HA HIS 34 -2.591 -3.819 -5.020 250 1HB HIS 34 1HB HIS 34 -3.979 -6.118 -6.422 251 2HB HIS 34 2HB HIS 34 -4.068 -4.422 -6.853 252 HD1 HIS 34 HD1 HIS 34 -3.117 -6.338 -8.996 253 HD2 HIS 34 HD2 HIS 34 -0.503 -4.480 -6.292 254 HE1 HIS 34 HE1 HIS 34 -0.815 -6.358 -10.098 255 HE2 HIS 34 HE2 HIS 34 0.737 -5.155 -8.413 256 H VAL 35 H VAL 35 -3.799 -2.841 -3.471 257 HA VAL 35 HA VAL 35 -5.509 -4.219 -1.755 258 HB VAL 35 HB VAL 35 -5.498 -1.288 -2.500 259 1HG1 VAL 35 1HG1 VAL 35 -6.941 -2.878 -0.484 260 2HG1 VAL 35 2HG1 VAL 35 -6.092 -1.460 0.178 261 3HG1 VAL 35 3HG1 VAL 35 -7.283 -1.255 -1.129 262 1HG2 VAL 35 1HG2 VAL 35 -3.385 -2.783 -1.458 263 2HG2 VAL 35 2HG2 VAL 35 -3.567 -1.013 -1.405 264 3HG2 VAL 35 3HG2 VAL 35 -4.119 -2.006 -0.035 265 H THR 36 H THR 36 -7.859 -4.161 -1.592 266 HA THR 36 HA THR 36 -9.128 -3.830 -4.232 267 HB THR 36 HB THR 36 -10.479 -5.781 -3.684 268 HG1 THR 36 HG1 THR 36 -10.853 -5.595 -1.468 269 1HG2 THR 36 1HG2 THR 36 -8.150 -6.414 -4.367 270 2HG2 THR 36 2HG2 THR 36 -7.632 -6.291 -2.669 271 3HG2 THR 36 3HG2 THR 36 -8.796 -7.546 -3.155 272 H HIS 37 H HIS 37 -8.783 -2.442 -1.225 273 HA HIS 37 HA HIS 37 -11.324 -1.100 -1.575 274 1HB HIS 37 1HB HIS 37 -11.315 -3.148 0.163 275 2HB HIS 37 2HB HIS 37 -10.687 -1.903 1.224 276 HD1 HIS 37 HD1 HIS 37 -12.702 -1.443 2.678 277 HD2 HIS 37 HD2 HIS 37 -13.602 -1.326 -1.418 278 HE1 HIS 37 HE1 HIS 37 -15.102 -0.596 2.497 279 HE2 HIS 37 HE2 HIS 37 -15.580 -0.493 -0.044 280 H VAL 38 H VAL 38 -8.576 -1.370 0.800 281 HA VAL 38 HA VAL 38 -7.072 0.120 1.452 282 HB VAL 38 HB VAL 38 -7.568 0.819 -1.206 283 1HG1 VAL 38 1HG1 VAL 38 -8.857 2.760 -0.560 284 2HG1 VAL 38 2HG1 VAL 38 -7.586 3.280 0.573 285 3HG1 VAL 38 3HG1 VAL 38 -7.277 3.298 -1.180 286 1HG2 VAL 38 1HG2 VAL 38 -5.421 0.670 0.602 287 2HG2 VAL 38 2HG2 VAL 38 -5.338 0.910 -1.160 288 3HG2 VAL 38 3HG2 VAL 38 -5.360 2.317 -0.070 289 H LYS 39 H LYS 39 -7.346 1.124 3.372 290 HA LYS 39 HA LYS 39 -9.794 2.701 3.690 291 1HB LYS 39 1HB LYS 39 -8.710 0.628 5.220 292 2HB LYS 39 2HB LYS 39 -8.336 2.075 6.135 293 1HG LYS 39 1HG LYS 39 -11.117 1.701 4.981 294 2HG LYS 39 2HG LYS 39 -10.675 0.883 6.466 295 1HD LYS 39 1HD LYS 39 -11.342 2.821 7.482 296 2HD LYS 39 2HD LYS 39 -9.760 3.416 7.019 297 1HE LYS 39 1HE LYS 39 -11.020 5.086 6.039 298 2HE LYS 39 2HE LYS 39 -11.055 3.952 4.704 299 1HZ LYS 39 1HZ LYS 39 -13.082 3.483 6.655 300 2HZ LYS 39 2HZ LYS 39 -13.212 4.938 5.925 301 3HZ LYS 39 3HZ LYS 39 -13.203 3.573 5.028 302 H LEU 40 H LEU 40 -9.309 4.761 3.015 303 HA LEU 40 HA LEU 40 -6.758 5.909 3.471 304 1HB LEU 40 1HB LEU 40 -9.278 6.609 2.168 305 2HB LEU 40 2HB LEU 40 -8.509 7.979 2.945 306 HG LEU 40 HG LEU 40 -7.935 7.668 0.531 307 1HD1 LEU 40 1HD1 LEU 40 -5.288 7.394 1.728 308 2HD1 LEU 40 2HD1 LEU 40 -6.043 8.783 0.910 309 3HD1 LEU 40 3HD1 LEU 40 -6.346 8.497 2.640 310 1HD2 LEU 40 1HD2 LEU 40 -7.586 5.548 -0.105 311 2HD2 LEU 40 2HD2 LEU 40 -5.924 5.819 0.472 312 3HD2 LEU 40 3HD2 LEU 40 -7.115 5.025 1.530 313 H SER 41 H SER 41 -6.404 7.935 4.762 314 HA SER 41 HA SER 41 -8.238 8.309 6.925 315 1HB SER 41 1HB SER 41 -5.645 6.862 7.242 316 2HB SER 41 2HB SER 41 -5.958 8.108 8.434 317 HG SER 41 HG SER 41 -7.108 6.573 9.399 318 H ASP 42 H ASP 42 -8.297 10.492 7.363 319 HA ASP 42 HA ASP 42 -7.572 12.539 7.696 320 1HB ASP 42 1HB ASP 42 -5.137 11.199 7.787 321 2HB ASP 42 2HB ASP 42 -4.879 12.306 6.454 322 H ASP 43 H ASP 43 -5.515 11.452 4.885 323 HA ASP 43 HA ASP 43 -7.313 12.447 2.979 324 1HB ASP 43 1HB ASP 43 -5.780 14.262 2.094 325 2HB ASP 43 2HB ASP 43 -6.552 14.648 3.619 326 H LEU 44 H LEU 44 -3.737 12.163 3.660 327 HA LEU 44 HA LEU 44 -3.539 9.933 1.867 328 1HB LEU 44 1HB LEU 44 -1.849 10.973 0.417 329 2HB LEU 44 2HB LEU 44 -3.459 11.634 0.214 330 HG LEU 44 HG LEU 44 -2.208 13.289 2.124 331 1HD1 LEU 44 1HD1 LEU 44 -0.254 14.038 0.531 332 2HD1 LEU 44 2HD1 LEU 44 -0.016 12.744 1.730 333 3HD1 LEU 44 3HD1 LEU 44 -0.304 12.333 0.022 334 1HD2 LEU 44 1HD2 LEU 44 -3.852 13.690 0.120 335 2HD2 LEU 44 2HD2 LEU 44 -2.770 14.987 0.681 336 3HD2 LEU 44 3HD2 LEU 44 -2.353 14.046 -0.771 337 H LEU 45 H LEU 45 -3.128 10.924 4.763 338 HA LEU 45 HA LEU 45 -0.261 10.610 5.035 339 1HB LEU 45 1HB LEU 45 -2.472 11.148 7.021 340 2HB LEU 45 2HB LEU 45 -0.785 10.963 7.457 341 HG LEU 45 HG LEU 45 -1.389 12.985 5.359 342 1HD1 LEU 45 1HD1 LEU 45 -2.204 13.345 8.253 343 2HD1 LEU 45 2HD1 LEU 45 -1.992 14.678 7.093 344 3HD1 LEU 45 3HD1 LEU 45 -3.240 13.441 6.809 345 1HD2 LEU 45 1HD2 LEU 45 0.514 14.011 6.105 346 2HD2 LEU 45 2HD2 LEU 45 0.288 13.471 7.786 347 3HD2 LEU 45 3HD2 LEU 45 0.875 12.327 6.554 348 H HIS 46 H HIS 46 -3.245 9.015 6.375 349 HA HIS 46 HA HIS 46 -1.616 6.611 6.689 350 1HB HIS 46 1HB HIS 46 -4.042 7.690 8.086 351 2HB HIS 46 2HB HIS 46 -3.773 5.958 8.062 352 HD1 HIS 46 HD1 HIS 46 -2.256 5.043 9.840 353 HD2 HIS 46 HD2 HIS 46 -1.709 9.158 9.242 354 HE1 HIS 46 HE1 HIS 46 -0.619 5.815 11.638 355 HE2 HIS 46 HE2 HIS 46 -0.279 8.340 11.186 356 H VAL 47 H VAL 47 -1.775 5.125 5.092 357 HA VAL 47 HA VAL 47 -4.388 4.895 3.768 358 HB VAL 47 HB VAL 47 -1.652 4.588 2.516 359 1HG1 VAL 47 1HG1 VAL 47 -4.200 3.613 1.722 360 2HG1 VAL 47 2HG1 VAL 47 -3.794 4.964 0.636 361 3HG1 VAL 47 3HG1 VAL 47 -2.675 3.590 0.804 362 1HG2 VAL 47 1HG2 VAL 47 -3.351 6.938 2.939 363 2HG2 VAL 47 2HG2 VAL 47 -1.647 6.829 2.435 364 3HG2 VAL 47 3HG2 VAL 47 -2.944 6.672 1.226 365 H THR 48 H THR 48 -5.239 3.098 4.744 366 HA THR 48 HA THR 48 -3.523 0.898 5.461 367 HB THR 48 HB THR 48 -6.575 1.114 5.493 368 HG1 THR 48 HG1 THR 48 -6.201 2.490 7.198 369 1HG2 THR 48 1HG2 THR 48 -4.746 -0.934 6.321 370 2HG2 THR 48 2HG2 THR 48 -5.291 -0.108 7.800 371 3HG2 THR 48 3HG2 THR 48 -6.483 -0.828 6.691 372 H VAL 49 H VAL 49 -2.574 0.086 3.592 373 HA VAL 49 HA VAL 49 -4.364 -0.723 1.453 374 HB VAL 49 HB VAL 49 -2.233 -1.327 0.327 375 1HG1 VAL 49 1HG1 VAL 49 -2.269 0.747 -0.496 376 2HG1 VAL 49 2HG1 VAL 49 -3.317 1.221 0.863 377 3HG1 VAL 49 3HG1 VAL 49 -1.551 1.403 0.994 378 1HG2 VAL 49 1HG2 VAL 49 -1.123 -1.492 2.782 379 2HG2 VAL 49 2HG2 VAL 49 -0.182 -1.212 1.298 380 3HG2 VAL 49 3HG2 VAL 49 -0.628 0.160 2.340 381 H TYR 50 H TYR 50 -5.292 -2.699 1.426 382 HA TYR 50 HA TYR 50 -4.501 -4.651 3.361 383 1HB TYR 50 1HB TYR 50 -6.480 -4.347 1.040 384 2HB TYR 50 2HB TYR 50 -6.316 -5.902 1.831 385 HD1 TYR 50 HD1 TYR 50 -6.404 -2.401 3.190 386 HD2 TYR 50 HD2 TYR 50 -8.201 -6.283 3.132 387 HE1 TYR 50 HE1 TYR 50 -8.056 -1.671 4.979 388 HE2 TYR 50 HE2 TYR 50 -9.847 -5.540 4.921 389 HH TYR 50 HH TYR 50 -9.701 -2.243 6.247 390 H LEU 51 H LEU 51 -4.036 -4.095 -0.144 391 HA LEU 51 HA LEU 51 -2.482 -4.973 -1.485 392 1HB LEU 51 1HB LEU 51 -1.762 -7.115 0.484 393 2HB LEU 51 2HB LEU 51 -0.778 -6.380 -0.767 394 HG LEU 51 HG LEU 51 -1.472 -5.338 1.962 395 1HD1 LEU 51 1HD1 LEU 51 0.930 -6.178 0.486 396 2HD1 LEU 51 2HD1 LEU 51 1.123 -4.675 1.420 397 3HD1 LEU 51 3HD1 LEU 51 0.592 -6.166 2.234 398 1HD2 LEU 51 1HD2 LEU 51 -0.322 -3.154 1.093 399 2HD2 LEU 51 2HD2 LEU 51 -0.942 -3.690 -0.487 400 3HD2 LEU 51 3HD2 LEU 51 -2.069 -3.405 0.861 401 H ASP 52 H ASP 52 -4.327 -7.402 0.465 402 HA ASP 52 HA ASP 52 -5.396 -9.207 -0.120 403 1HB ASP 52 1HB ASP 52 -6.765 -7.238 -1.146 404 2HB ASP 52 2HB ASP 52 -6.138 -7.763 -2.696 405 H CYS 53 H CYS 53 -2.925 -9.916 -0.620 406 HA CYS 53 HA CYS 53 -2.436 -10.362 -3.418 407 1HB CYS 53 1HB CYS 53 -0.731 -11.578 -1.273 408 2HB CYS 53 2HB CYS 53 -0.270 -10.917 -2.829 409 HG CYS 53 HG CYS 53 -0.255 -9.655 0.011 410 H TYR 54 H TYR 54 -4.383 -11.710 -3.813 411 HA TYR 54 HA TYR 54 -5.609 -13.590 -3.750 412 1HB TYR 54 1HB TYR 54 -2.660 -14.417 -3.996 413 2HB TYR 54 2HB TYR 54 -3.934 -15.605 -4.190 414 HD1 TYR 54 HD1 TYR 54 -3.233 -12.132 -5.459 415 HD2 TYR 54 HD2 TYR 54 -4.448 -16.129 -6.381 416 HE1 TYR 54 HE1 TYR 54 -3.452 -11.507 -7.914 417 HE2 TYR 54 HE2 TYR 54 -4.663 -15.491 -8.833 418 HH TYR 54 HH TYR 54 -4.144 -12.144 -9.876 419 H ASN 55 H ASN 55 -6.145 -13.151 -1.376 420 HA ASN 55 HA ASN 55 -6.637 -14.034 0.550 421 1HB ASN 55 1HB ASN 55 -5.591 -16.373 -0.894 422 2HB ASN 55 2HB ASN 55 -5.209 -16.485 0.813 423 1HD2 ASN 55 1HD2 ASN 55 -7.903 -15.449 -1.281 424 2HD2 ASN 55 2HD2 ASN 55 -9.177 -16.223 -0.398 425 H ARG 56 H ARG 56 -3.499 -15.811 0.251 426 HA ARG 56 HA ARG 56 -1.866 -13.878 1.286 427 1HB ARG 56 1HB ARG 56 -1.694 -14.332 3.630 428 2HB ARG 56 2HB ARG 56 -3.419 -14.258 3.327 429 1HG ARG 56 1HG ARG 56 -3.593 -16.329 4.236 430 2HG ARG 56 2HG ARG 56 -2.760 -16.956 2.828 431 1HD ARG 56 1HD ARG 56 -1.132 -17.640 4.271 432 2HD ARG 56 2HD ARG 56 -0.650 -15.957 4.359 433 HE ARG 56 HE ARG 56 -2.648 -16.034 6.222 434 1HH1 ARG 56 1HH1 ARG 56 0.121 -18.137 5.683 435 2HH1 ARG 56 2HH1 ARG 56 0.272 -18.578 7.352 436 1HH2 ARG 56 1HH2 ARG 56 -2.449 -16.614 8.423 437 2HH2 ARG 56 2HH2 ARG 56 -1.199 -17.706 8.921 438 H GLU 57 H GLU 57 -1.905 -16.016 -0.675 439 HA GLU 57 HA GLU 57 -0.344 -18.146 0.407 440 1HB GLU 57 1HB GLU 57 -0.816 -17.601 -2.543 441 2HB GLU 57 2HB GLU 57 -0.519 -19.142 -1.763 442 1HG GLU 57 1HG GLU 57 -2.736 -18.642 -0.432 443 2HG GLU 57 2HG GLU 57 -3.039 -17.449 -1.679 444 H GLN 58 H GLN 58 0.201 -14.991 -0.969 445 HA GLN 58 HA GLN 58 3.036 -15.643 -1.104 446 1HB GLN 58 1HB GLN 58 1.370 -14.815 -3.281 447 2HB GLN 58 2HB GLN 58 2.409 -13.458 -2.899 448 1HG GLN 58 1HG GLN 58 4.028 -14.512 -4.097 449 2HG GLN 58 2HG GLN 58 4.166 -15.631 -2.755 450 1HE2 GLN 58 1HE2 GLN 58 4.768 -17.282 -4.156 451 2HE2 GLN 58 2HE2 GLN 58 3.635 -18.128 -5.157 452 H ILE 59 H ILE 59 0.729 -14.129 0.627 453 HA ILE 59 HA ILE 59 1.330 -11.486 0.831 454 HB ILE 59 HB ILE 59 -0.229 -13.290 2.167 455 1HG1 ILE 59 1HG1 ILE 59 -0.618 -11.066 3.654 456 2HG1 ILE 59 2HG1 ILE 59 0.297 -10.368 2.333 457 1HG2 ILE 59 1HG2 ILE 59 1.894 -12.296 4.081 458 2HG2 ILE 59 2HG2 ILE 59 0.303 -12.911 4.591 459 3HG2 ILE 59 3HG2 ILE 59 1.435 -13.980 3.728 460 1HD1 ILE 59 1HD1 ILE 59 -2.344 -11.861 2.206 461 2HD1 ILE 59 2HD1 ILE 59 -1.957 -10.233 1.600 462 3HD1 ILE 59 3HD1 ILE 59 -1.326 -11.669 0.758 463 H ASP 60 H ASP 60 2.955 -14.221 2.581 464 HA ASP 60 HA ASP 60 4.683 -12.889 4.078 465 1HB ASP 60 1HB ASP 60 4.432 -15.463 3.459 466 2HB ASP 60 2HB ASP 60 5.741 -15.136 2.341 467 H ARG 61 H ARG 61 4.792 -13.382 0.518 468 HA ARG 61 HA ARG 61 7.384 -12.254 0.290 469 1HB ARG 61 1HB ARG 61 5.319 -12.690 -1.922 470 2HB ARG 61 2HB ARG 61 7.052 -12.530 -2.128 471 1HG ARG 61 1HG ARG 61 5.954 -14.729 -0.352 472 2HG ARG 61 2HG ARG 61 5.941 -14.937 -2.092 473 1HD ARG 61 1HD ARG 61 8.504 -14.014 -0.780 474 2HD ARG 61 2HD ARG 61 8.051 -15.699 -0.624 475 HE ARG 61 HE ARG 61 7.813 -14.815 -3.376 476 1HH1 ARG 61 1HH1 ARG 61 10.153 -15.829 -0.951 477 2HH1 ARG 61 2HH1 ARG 61 11.308 -16.388 -2.114 478 1HH2 ARG 61 1HH2 ARG 61 9.337 -15.553 -4.912 479 2HH2 ARG 61 2HH2 ARG 61 10.840 -16.230 -4.382 480 H VAL 62 H VAL 62 3.979 -11.251 -0.459 481 HA VAL 62 HA VAL 62 4.654 -8.731 -1.485 482 HB VAL 62 HB VAL 62 2.086 -9.465 -0.087 483 1HG1 VAL 62 1HG1 VAL 62 1.378 -7.514 -0.898 484 2HG1 VAL 62 2HG1 VAL 62 2.976 -7.222 -1.626 485 3HG1 VAL 62 3HG1 VAL 62 1.719 -8.078 -2.551 486 1HG2 VAL 62 1HG2 VAL 62 3.315 -10.750 -2.400 487 2HG2 VAL 62 2HG2 VAL 62 1.874 -11.216 -1.464 488 3HG2 VAL 62 3HG2 VAL 62 1.731 -10.038 -2.791 489 H VAL 63 H VAL 63 3.108 -9.509 1.716 490 HA VAL 63 HA VAL 63 3.428 -7.058 2.853 491 HB VAL 63 HB VAL 63 3.627 -9.785 4.146 492 1HG1 VAL 63 1HG1 VAL 63 2.925 -7.094 5.369 493 2HG1 VAL 63 2HG1 VAL 63 2.858 -8.668 6.197 494 3HG1 VAL 63 3HG1 VAL 63 4.421 -8.017 5.649 495 1HG2 VAL 63 1HG2 VAL 63 1.544 -8.847 2.668 496 2HG2 VAL 63 2HG2 VAL 63 1.376 -9.974 4.036 497 3HG2 VAL 63 3HG2 VAL 63 1.110 -8.231 4.281 498 H GLY 64 H GLY 64 5.794 -9.791 2.738 499 1HA GLY 64 1HA GLY 64 7.779 -8.639 4.321 500 2HA GLY 64 2HA GLY 64 8.015 -9.840 3.067 501 H ALA 65 H ALA 65 6.991 -8.268 0.820 502 HA ALA 65 HA ALA 65 9.363 -6.752 0.307 503 1HB ALA 65 1HB ALA 65 7.856 -6.294 -1.851 504 2HB ALA 65 2HB ALA 65 8.659 -7.861 -1.591 505 3HB ALA 65 3HB ALA 65 6.934 -7.669 -1.196 506 H PHE 66 H PHE 66 5.894 -6.108 1.003 507 HA PHE 66 HA PHE 66 5.855 -3.420 0.404 508 1HB PHE 66 1HB PHE 66 4.423 -5.423 2.105 509 2HB PHE 66 2HB PHE 66 4.250 -3.783 2.696 510 HD1 PHE 66 HD1 PHE 66 3.590 -6.018 -0.154 511 HD2 PHE 66 HD2 PHE 66 2.903 -2.185 1.533 512 HE1 PHE 66 HE1 PHE 66 1.773 -5.603 -1.835 513 HE2 PHE 66 HE2 PHE 66 1.086 -1.771 -0.148 514 HZ PHE 66 HZ PHE 66 0.542 -3.485 -1.812 515 H ASN 67 H ASN 67 7.442 -5.126 3.038 516 HA ASN 67 HA ASN 67 7.455 -3.121 4.923 517 1HB ASN 67 1HB ASN 67 8.572 -5.688 4.636 518 2HB ASN 67 2HB ASN 67 9.986 -4.659 4.753 519 1HD2 ASN 67 1HD2 ASN 67 10.553 -3.759 6.637 520 2HD2 ASN 67 2HD2 ASN 67 9.712 -3.951 8.139 521 H GLN 68 H GLN 68 10.115 -4.120 2.624 522 HA GLN 68 HA GLN 68 11.537 -1.731 3.088 523 1HB GLN 68 1HB GLN 68 11.860 -3.847 0.913 524 2HB GLN 68 2HB GLN 68 13.023 -2.582 1.256 525 1HG GLN 68 1HG GLN 68 12.606 -3.697 3.779 526 2HG GLN 68 2HG GLN 68 12.486 -5.097 2.732 527 1HE2 GLN 68 1HE2 GLN 68 14.391 -5.958 3.508 528 2HE2 GLN 68 2HE2 GLN 68 15.956 -5.351 3.082 529 H ALA 69 H ALA 69 8.682 -2.275 1.450 530 HA ALA 69 HA ALA 69 9.231 -0.679 -0.878 531 1HB ALA 69 1HB ALA 69 6.901 -1.081 -1.392 532 2HB ALA 69 2HB ALA 69 7.599 -2.600 -0.782 533 3HB ALA 69 3HB ALA 69 6.572 -1.605 0.277 534 H LYS 70 H LYS 70 8.059 -0.254 2.445 535 HA LYS 70 HA LYS 70 6.602 1.991 2.362 536 1HB LYS 70 1HB LYS 70 8.468 0.765 4.276 537 2HB LYS 70 2HB LYS 70 8.274 2.492 4.501 538 1HG LYS 70 1HG LYS 70 5.696 2.005 4.268 539 2HG LYS 70 2HG LYS 70 6.136 0.336 4.570 540 1HD LYS 70 1HD LYS 70 5.732 1.095 6.750 541 2HD LYS 70 2HD LYS 70 7.467 1.315 6.634 542 1HE LYS 70 1HE LYS 70 6.966 3.728 5.831 543 2HE LYS 70 2HE LYS 70 5.309 3.446 6.327 544 1HZ LYS 70 1HZ LYS 70 6.419 2.711 8.508 545 2HZ LYS 70 2HZ LYS 70 7.698 3.579 7.980 546 3HZ LYS 70 3HZ LYS 70 6.252 4.306 8.197 547 H GLY 71 H GLY 71 9.996 1.642 1.457 548 1HA GLY 71 1HA GLY 71 10.736 4.367 1.628 549 2HA GLY 71 2HA GLY 71 11.518 3.111 0.688 550 H VAL 72 H VAL 72 9.937 2.314 -1.275 551 HA VAL 72 HA VAL 72 9.826 4.505 -3.014 552 HB VAL 72 HB VAL 72 8.736 2.889 -4.537 553 1HG1 VAL 72 1HG1 VAL 72 10.666 1.650 -4.918 554 2HG1 VAL 72 2HG1 VAL 72 11.280 3.021 -3.964 555 3HG1 VAL 72 3HG1 VAL 72 11.005 1.445 -3.183 556 1HG2 VAL 72 1HG2 VAL 72 7.373 1.674 -2.901 557 2HG2 VAL 72 2HG2 VAL 72 8.414 0.558 -3.818 558 3HG2 VAL 72 3HG2 VAL 72 8.845 1.011 -2.151 559 H PHE 73 H PHE 73 7.261 2.659 -1.245 560 HA PHE 73 HA PHE 73 5.092 4.000 -2.296 561 1HB PHE 73 1HB PHE 73 5.676 2.875 0.510 562 2HB PHE 73 2HB PHE 73 4.061 3.252 -0.058 563 HD1 PHE 73 HD1 PHE 73 5.249 2.172 -2.964 564 HD2 PHE 73 HD2 PHE 73 4.580 0.602 0.921 565 HE1 PHE 73 HE1 PHE 73 5.049 -0.136 -3.931 566 HE2 PHE 73 HE2 PHE 73 4.380 -1.706 -0.046 567 HZ PHE 73 HZ PHE 73 4.617 -2.047 -2.460 568 H SER 74 H SER 74 6.772 4.637 0.874 569 HA SER 74 HA SER 74 5.318 6.887 1.465 570 1HB SER 74 1HB SER 74 6.834 5.598 3.020 571 2HB SER 74 2HB SER 74 8.218 6.317 2.221 572 HG SER 74 HG SER 74 7.348 7.379 4.264 573 H ARG 75 H ARG 75 7.919 6.360 -0.837 574 HA ARG 75 HA ARG 75 8.721 9.067 -0.935 575 1HB ARG 75 1HB ARG 75 10.335 7.398 -1.610 576 2HB ARG 75 2HB ARG 75 9.206 6.642 -2.718 577 1HG ARG 75 1HG ARG 75 9.730 8.086 -4.403 578 2HG ARG 75 2HG ARG 75 9.577 9.486 -3.360 579 1HD ARG 75 1HD ARG 75 12.004 7.675 -3.114 580 2HD ARG 75 2HD ARG 75 11.940 8.883 -4.381 581 HE ARG 75 HE ARG 75 11.252 9.992 -1.771 582 1HH1 ARG 75 1HH1 ARG 75 13.932 9.120 -3.879 583 2HH1 ARG 75 2HH1 ARG 75 15.039 10.230 -3.142 584 1HH2 ARG 75 1HH2 ARG 75 12.713 11.456 -0.799 585 2HH2 ARG 75 2HH2 ARG 75 14.341 11.567 -1.378 586 H VAL 76 H VAL 76 6.284 7.014 -2.501 587 HA VAL 76 HA VAL 76 5.824 8.482 -4.806 588 HB VAL 76 HB VAL 76 4.007 6.817 -3.058 589 1HG1 VAL 76 1HG1 VAL 76 3.223 7.049 -5.862 590 2HG1 VAL 76 2HG1 VAL 76 2.248 7.221 -4.383 591 3HG1 VAL 76 3HG1 VAL 76 3.164 8.612 -5.011 592 1HG2 VAL 76 1HG2 VAL 76 5.284 5.169 -3.888 593 2HG2 VAL 76 2HG2 VAL 76 4.456 5.473 -5.434 594 3HG2 VAL 76 3HG2 VAL 76 6.030 6.237 -5.101 595 H LEU 77 H LEU 77 4.230 8.728 -1.549 596 HA LEU 77 HA LEU 77 2.756 11.026 -2.319 597 1HB LEU 77 1HB LEU 77 3.319 10.280 0.524 598 2HB LEU 77 2HB LEU 77 1.875 10.979 -0.181 599 HG LEU 77 HG LEU 77 1.832 8.613 -1.454 600 1HD1 LEU 77 1HD1 LEU 77 3.058 6.976 -0.582 601 2HD1 LEU 77 2HD1 LEU 77 3.952 8.228 0.312 602 3HD1 LEU 77 3HD1 LEU 77 2.576 7.399 1.078 603 1HD2 LEU 77 1HD2 LEU 77 -0.112 9.160 -0.382 604 2HD2 LEU 77 2HD2 LEU 77 0.455 7.836 0.664 605 3HD2 LEU 77 3HD2 LEU 77 0.702 9.528 1.157 606 H ALA 78 H ALA 78 5.966 10.397 -0.943 607 HA ALA 78 HA ALA 78 6.462 12.891 0.167 608 1HB ALA 78 1HB ALA 78 8.401 11.013 -1.243 609 2HB ALA 78 2HB ALA 78 8.811 12.247 -0.028 610 3HB ALA 78 3HB ALA 78 7.842 10.828 0.437 611 H HIS 79 H HIS 79 6.689 11.687 -3.217 612 HA HIS 79 HA HIS 79 8.082 13.585 -4.450 613 1HB HIS 79 1HB HIS 79 6.637 11.585 -5.332 614 2HB HIS 79 2HB HIS 79 5.412 12.810 -5.595 615 HD1 HIS 79 HD1 HIS 79 5.482 13.871 -7.851 616 HD2 HIS 79 HD2 HIS 79 9.242 12.431 -6.674 617 HE1 HIS 79 HE1 HIS 79 7.053 14.283 -9.819 618 HE2 HIS 79 HE2 HIS 79 9.360 13.428 -9.016 619 H ASN 80 H ASN 80 4.947 13.999 -2.847 620 HA ASN 80 HA ASN 80 4.834 16.708 -3.883 621 1HB ASN 80 1HB ASN 80 2.799 14.921 -2.469 622 2HB ASN 80 2HB ASN 80 2.512 16.635 -2.692 623 1HD2 ASN 80 1HD2 ASN 80 2.635 17.498 -4.883 624 2HD2 ASN 80 2HD2 ASN 80 2.105 16.531 -6.219 625 H LEU 81 H LEU 81 3.724 15.159 -0.782 626 HA LEU 81 HA LEU 81 4.387 17.406 0.763 627 1HB LEU 81 1HB LEU 81 3.270 14.731 1.149 628 2HB LEU 81 2HB LEU 81 4.228 15.279 2.511 629 HG LEU 81 HG LEU 81 1.837 15.788 2.766 630 1HD1 LEU 81 1HD1 LEU 81 2.771 18.535 2.546 631 2HD1 LEU 81 2HD1 LEU 81 2.365 17.572 3.986 632 3HD1 LEU 81 3HD1 LEU 81 3.993 17.466 3.275 633 1HD2 LEU 81 1HD2 LEU 81 1.477 18.016 1.072 634 2HD2 LEU 81 2HD2 LEU 81 2.096 16.697 0.050 635 3HD2 LEU 81 3HD2 LEU 81 0.630 16.451 1.028 636 H TYR 82 H TYR 82 6.082 17.722 2.309 637 HA TYR 82 HA TYR 82 8.348 15.890 2.049 638 1HB TYR 82 1HB TYR 82 9.775 17.733 1.425 639 2HB TYR 82 2HB TYR 82 8.320 18.048 0.500 640 HD1 TYR 82 HD1 TYR 82 10.618 19.351 2.911 641 HD2 TYR 82 HD2 TYR 82 6.583 19.675 1.525 642 HE1 TYR 82 HE1 TYR 82 10.428 21.650 3.979 643 HE2 TYR 82 HE2 TYR 82 6.407 21.973 2.598 644 HH TYR 82 HH TYR 82 8.312 23.038 4.896 645 H LEU 83 H LEU 83 6.343 16.240 4.169 646 HA LEU 83 HA LEU 83 8.045 17.468 6.224 647 1HB LEU 83 1HB LEU 83 6.102 18.719 6.194 648 2HB LEU 83 2HB LEU 83 5.079 17.338 5.851 649 HG LEU 83 HG LEU 83 6.516 17.484 8.484 650 1HD1 LEU 83 1HD1 LEU 83 5.421 19.700 8.091 651 2HD1 LEU 83 2HD1 LEU 83 3.862 18.848 7.973 652 3HD1 LEU 83 3HD1 LEU 83 4.792 18.798 9.490 653 1HD2 LEU 83 1HD2 LEU 83 5.355 15.418 7.884 654 2HD2 LEU 83 2HD2 LEU 83 4.573 16.221 9.266 655 3HD2 LEU 83 3HD2 LEU 83 3.843 16.326 7.646 656 H ALA 84 H ALA 84 7.974 16.371 8.384 657 HA ALA 84 HA ALA 84 8.790 13.794 8.258 658 1HB ALA 84 1HB ALA 84 7.402 15.354 10.463 659 2HB ALA 84 2HB ALA 84 8.099 13.737 10.721 660 3HB ALA 84 3HB ALA 84 9.147 15.090 10.233 661 H LYS 85 H LYS 85 5.692 14.365 9.987 662 HA LYS 85 HA LYS 85 4.718 11.866 8.930 663 1HB LYS 85 1HB LYS 85 3.802 13.796 11.056 664 2HB LYS 85 2HB LYS 85 2.733 12.537 10.471 665 1HG LYS 85 1HG LYS 85 3.753 11.290 12.113 666 2HG LYS 85 2HG LYS 85 4.964 11.032 10.873 667 1HD LYS 85 1HD LYS 85 6.423 11.851 12.434 668 2HD LYS 85 2HD LYS 85 5.842 13.420 11.911 669 1HE LYS 85 1HE LYS 85 5.410 13.663 14.168 670 2HE LYS 85 2HE LYS 85 3.904 12.887 13.722 671 1HZ LYS 85 1HZ LYS 85 4.449 11.197 14.996 672 2HZ LYS 85 2HZ LYS 85 5.836 10.930 14.176 673 3HZ LYS 85 3HZ LYS 85 5.825 11.947 15.454 674 H ALA 86 H ALA 86 5.078 13.372 6.745 675 HA ALA 86 HA ALA 86 2.612 14.809 6.200 676 1HB ALA 86 1HB ALA 86 3.773 15.784 4.449 677 2HB ALA 86 2HB ALA 86 5.119 15.417 5.554 678 3HB ALA 86 3HB ALA 86 4.783 14.345 4.173 679 H VAL 87 H VAL 87 4.262 11.728 5.554 680 HA VAL 87 HA VAL 87 1.806 10.733 4.400 681 HB VAL 87 HB VAL 87 2.452 10.582 2.291 682 1HG1 VAL 87 1HG1 VAL 87 4.354 12.016 1.532 683 2HG1 VAL 87 2HG1 VAL 87 3.225 12.843 2.632 684 3HG1 VAL 87 3HG1 VAL 87 4.794 12.264 3.239 685 1HG2 VAL 87 1HG2 VAL 87 3.727 8.627 2.525 686 2HG2 VAL 87 2HG2 VAL 87 4.815 9.749 1.672 687 3HG2 VAL 87 3HG2 VAL 87 5.021 9.463 3.417 688 H GLN 88 H GLN 88 2.098 8.252 3.988 689 HA GLN 88 HA GLN 88 4.066 6.736 4.888 690 1HB GLN 88 1HB GLN 88 3.266 6.206 7.321 691 2HB GLN 88 2HB GLN 88 4.282 7.609 7.055 692 1HG GLN 88 1HG GLN 88 1.641 8.550 6.638 693 2HG GLN 88 2HG GLN 88 1.517 7.483 8.023 694 1HE2 GLN 88 1HE2 GLN 88 1.012 10.064 8.408 695 2HE2 GLN 88 2HE2 GLN 88 2.271 10.862 9.291 696 H ILE 89 H ILE 89 3.215 5.173 3.531 697 HA ILE 89 HA ILE 89 0.435 4.544 3.590 698 HB ILE 89 HB ILE 89 2.846 3.497 2.145 699 1HG1 ILE 89 1HG1 ILE 89 0.265 4.737 1.148 700 2HG1 ILE 89 2HG1 ILE 89 1.745 5.628 1.441 701 1HG2 ILE 89 1HG2 ILE 89 0.732 2.223 0.939 702 2HG2 ILE 89 2HG2 ILE 89 1.904 1.472 2.049 703 3HG2 ILE 89 3HG2 ILE 89 0.342 2.062 2.668 704 1HD1 ILE 89 1HD1 ILE 89 2.078 3.188 -0.238 705 2HD1 ILE 89 2HD1 ILE 89 1.103 4.488 -0.966 706 3HD1 ILE 89 3HD1 ILE 89 2.773 4.814 -0.442 707 H HIS 90 H HIS 90 -0.624 3.077 4.830 708 HA HIS 90 HA HIS 90 1.018 1.557 6.678 709 1HB HIS 90 1HB HIS 90 -1.025 3.060 7.275 710 2HB HIS 90 2HB HIS 90 -1.989 1.707 6.718 711 HD1 HIS 90 HD1 HIS 90 -1.362 2.938 9.772 712 HD2 HIS 90 HD2 HIS 90 -0.272 -0.757 8.112 713 HE1 HIS 90 HE1 HIS 90 -0.966 1.361 11.737 714 HE2 HIS 90 HE2 HIS 90 -0.352 -0.908 10.654 715 H PHE 91 H PHE 91 1.113 -0.688 6.728 716 HA PHE 91 HA PHE 91 -0.051 -1.980 4.386 717 1HB PHE 91 1HB PHE 91 1.795 -3.474 4.630 718 2HB PHE 91 2HB PHE 91 2.480 -1.984 5.248 719 HD1 PHE 91 HD1 PHE 91 0.711 -5.057 6.390 720 HD2 PHE 91 HD2 PHE 91 3.432 -1.951 7.367 721 HE1 PHE 91 HE1 PHE 91 1.235 -6.200 8.562 722 HE2 PHE 91 HE2 PHE 91 3.957 -3.094 9.540 723 HZ PHE 91 HZ PHE 91 2.852 -5.205 10.111 724 H VAL 92 H VAL 92 -1.590 -3.587 4.530 725 HA VAL 92 HA VAL 92 -2.080 -4.793 7.122 726 HB VAL 92 HB VAL 92 -4.098 -3.132 5.608 727 1HG1 VAL 92 1HG1 VAL 92 -5.732 -3.902 7.348 728 2HG1 VAL 92 2HG1 VAL 92 -5.223 -5.173 6.210 729 3HG1 VAL 92 3HG1 VAL 92 -4.541 -5.124 7.854 730 1HG2 VAL 92 1HG2 VAL 92 -2.901 -1.719 7.055 731 2HG2 VAL 92 2HG2 VAL 92 -4.365 -2.146 7.973 732 3HG2 VAL 92 3HG2 VAL 92 -2.819 -2.948 8.339 733 H LYS 93 H LYS 93 -3.771 -6.609 6.861 734 HA LYS 93 HA LYS 93 -3.823 -7.613 4.123 735 1HB LYS 93 1HB LYS 93 -3.267 -9.919 5.362 736 2HB LYS 93 2HB LYS 93 -2.036 -8.898 4.645 737 1HG LYS 93 1HG LYS 93 -1.303 -8.073 6.721 738 2HG LYS 93 2HG LYS 93 -2.848 -8.347 7.500 739 1HD LYS 93 1HD LYS 93 -2.299 -10.481 8.105 740 2HD LYS 93 2HD LYS 93 -1.640 -10.856 6.525 741 1HE LYS 93 1HE LYS 93 0.485 -10.553 7.266 742 2HE LYS 93 2HE LYS 93 0.106 -8.945 7.852 743 1HZ LYS 93 1HZ LYS 93 0.689 -10.999 9.418 744 2HZ LYS 93 2HZ LYS 93 -0.181 -9.707 9.911 745 3HZ LYS 93 3HZ LYS 93 -0.942 -11.078 9.453 746 H ASP 94 H ASP 94 -4.851 -7.983 7.569 747 HA ASP 94 HA ASP 94 -7.537 -8.024 6.799 748 1HB ASP 94 1HB ASP 94 -6.955 -10.360 6.145 749 2HB ASP 94 2HB ASP 94 -6.332 -10.664 7.754 750 H LYS 95 H LYS 95 -5.900 -6.521 8.596 751 HA LYS 95 HA LYS 95 -5.904 -7.542 11.212 752 1HB LYS 95 1HB LYS 95 -5.273 -5.012 9.849 753 2HB LYS 95 2HB LYS 95 -5.884 -4.796 11.477 754 1HG LYS 95 1HG LYS 95 -3.977 -7.020 11.375 755 2HG LYS 95 2HG LYS 95 -3.258 -5.559 10.728 756 1HD LYS 95 1HD LYS 95 -3.745 -4.315 12.764 757 2HD LYS 95 2HD LYS 95 -4.753 -5.606 13.386 758 1HE LYS 95 1HE LYS 95 -2.236 -6.817 12.817 759 2HE LYS 95 2HE LYS 95 -1.856 -5.285 13.579 760 1HZ LYS 95 1HZ LYS 95 -2.740 -5.957 15.497 761 2HZ LYS 95 2HZ LYS 95 -3.989 -6.755 14.812 762 3HZ LYS 95 3HZ LYS 95 -2.521 -7.465 14.910 763 H ALA 96 H ALA 96 -8.381 -6.134 9.158 764 HA ALA 96 HA ALA 96 -10.073 -5.405 11.367 765 1HB ALA 96 1HB ALA 96 -9.833 -4.618 8.738 766 2HB ALA 96 2HB ALA 96 -11.252 -5.691 8.670 767 3HB ALA 96 3HB ALA 96 -11.244 -4.294 9.774 768 H ILE 97 H ILE 97 -8.971 -8.303 10.658 769 HA ILE 97 HA ILE 97 -9.719 -10.390 10.669 770 HB ILE 97 HB ILE 97 -10.234 -9.619 12.948 771 1HG1 ILE 97 1HG1 ILE 97 -11.912 -11.452 13.454 772 2HG1 ILE 97 2HG1 ILE 97 -12.044 -11.717 11.727 773 1HG2 ILE 97 1HG2 ILE 97 -12.911 -8.974 11.720 774 2HG2 ILE 97 2HG2 ILE 97 -12.729 -9.310 13.459 775 3HG2 ILE 97 3HG2 ILE 97 -11.854 -7.947 12.719 776 1HD1 ILE 97 1HD1 ILE 97 -10.096 -12.803 13.462 777 2HD1 ILE 97 2HD1 ILE 97 -10.102 -12.884 11.684 778 3HD1 ILE 97 3HD1 ILE 97 -9.233 -11.569 12.513 779 H ASP 98 H ASP 98 -10.365 -9.126 8.304 780 HA ASP 98 HA ASP 98 -13.152 -9.453 7.822 781 1HB ASP 98 1HB ASP 98 -10.724 -8.694 6.180 782 2HB ASP 98 2HB ASP 98 -12.198 -9.143 5.345 783 H ASN 99 H ASN 99 -12.047 -11.876 8.799 784 HA ASN 99 HA ASN 99 -12.626 -13.589 6.620 785 1HB ASN 99 1HB ASN 99 -10.148 -13.129 6.296 786 2HB ASN 99 2HB ASN 99 -9.848 -13.761 7.902 787 1HD2 ASN 99 1HD2 ASN 99 -10.600 -15.967 8.364 788 2HD2 ASN 99 2HD2 ASN 99 -10.498 -17.173 7.125 789 H ALA 100 H ALA 100 -11.202 -13.131 9.918 790 HA ALA 100 HA ALA 100 -11.845 -13.983 11.880 791 1HB ALA 100 1HB ALA 100 -14.141 -14.252 10.570 792 2HB ALA 100 2HB ALA 100 -13.720 -15.980 10.641 793 3HB ALA 100 3HB ALA 100 -13.889 -15.043 12.144 794 H MET 101 H MET 101 -11.415 -15.981 13.167 795 HA MET 101 HA MET 101 -9.266 -17.373 11.981 796 1HB MET 101 1HB MET 101 -9.520 -16.694 14.444 797 2HB MET 101 2HB MET 101 -10.751 -17.931 14.608 798 1HG MET 101 1HG MET 101 -9.009 -19.630 13.776 799 2HG MET 101 2HG MET 101 -7.810 -18.359 13.905 800 1HE MET 101 1HE MET 101 -6.927 -17.802 17.208 801 2HE MET 101 2HE MET 101 -7.413 -17.004 15.693 802 3HE MET 101 3HE MET 101 -8.466 -16.911 17.125 Start of MODEL 4 1 H LYS 6 H LYS 6 -12.602 2.831 -6.475 2 HA LYS 6 HA LYS 6 -14.486 3.776 -8.343 3 1HB LYS 6 1HB LYS 6 -15.572 2.677 -5.881 4 2HB LYS 6 2HB LYS 6 -15.931 4.387 -6.014 5 1HG LYS 6 1HG LYS 6 -16.489 3.662 -8.570 6 2HG LYS 6 2HG LYS 6 -16.786 2.120 -7.794 7 1HD LYS 6 1HD LYS 6 -18.865 2.940 -7.340 8 2HD LYS 6 2HD LYS 6 -18.084 3.853 -6.064 9 1HE LYS 6 1HE LYS 6 -17.775 5.211 -8.645 10 2HE LYS 6 2HE LYS 6 -19.466 4.902 -8.308 11 1HZ LYS 6 1HZ LYS 6 -18.126 6.944 -7.317 12 2HZ LYS 6 2HZ LYS 6 -19.437 6.300 -6.586 13 3HZ LYS 6 3HZ LYS 6 -17.938 5.888 -6.086 14 H GLU 7 H GLU 7 -14.757 6.124 -8.165 15 HA GLU 7 HA GLU 7 -14.275 8.141 -7.363 16 1HB GLU 7 1HB GLU 7 -13.592 6.751 -5.118 17 2HB GLU 7 2HB GLU 7 -12.007 7.332 -5.587 18 1HG GLU 7 1HG GLU 7 -13.169 9.671 -5.850 19 2HG GLU 7 2HG GLU 7 -14.483 8.968 -4.928 20 H ARG 8 H ARG 8 -12.728 9.723 -8.104 21 HA ARG 8 HA ARG 8 -10.994 8.650 -10.059 22 1HB ARG 8 1HB ARG 8 -12.375 10.912 -10.033 23 2HB ARG 8 2HB ARG 8 -10.991 11.558 -9.174 24 1HG ARG 8 1HG ARG 8 -9.489 10.999 -11.019 25 2HG ARG 8 2HG ARG 8 -10.746 10.096 -11.841 26 1HD ARG 8 1HD ARG 8 -12.068 12.420 -11.720 27 2HD ARG 8 2HD ARG 8 -10.461 13.092 -11.529 28 HE ARG 8 HE ARG 8 -10.007 12.592 -13.771 29 1HH1 ARG 8 1HH1 ARG 8 -12.819 10.754 -12.725 30 2HH1 ARG 8 2HH1 ARG 8 -13.184 10.166 -14.313 31 1HH2 ARG 8 1HH2 ARG 8 -10.488 11.816 -15.866 32 2HH2 ARG 8 2HH2 ARG 8 -11.850 10.774 -16.112 33 H LEU 9 H LEU 9 -10.405 11.021 -7.347 34 HA LEU 9 HA LEU 9 -7.666 10.861 -7.372 35 1HB LEU 9 1HB LEU 9 -8.699 12.601 -6.196 36 2HB LEU 9 2HB LEU 9 -9.679 11.508 -5.238 37 HG LEU 9 HG LEU 9 -7.076 10.787 -4.570 38 1HD1 LEU 9 1HD1 LEU 9 -5.691 12.570 -4.436 39 2HD1 LEU 9 2HD1 LEU 9 -6.656 13.124 -5.825 40 3HD1 LEU 9 3HD1 LEU 9 -7.019 13.730 -4.191 41 1HD2 LEU 9 1HD2 LEU 9 -7.599 11.696 -2.399 42 2HD2 LEU 9 2HD2 LEU 9 -8.870 12.731 -3.093 43 3HD2 LEU 9 3HD2 LEU 9 -9.063 10.961 -3.096 44 H GLU 10 H GLU 10 -9.927 9.052 -5.168 45 HA GLU 10 HA GLU 10 -8.131 7.551 -3.884 46 1HB GLU 10 1HB GLU 10 -10.838 7.597 -3.997 47 2HB GLU 10 2HB GLU 10 -10.567 6.100 -4.866 48 1HG GLU 10 1HG GLU 10 -10.594 5.241 -2.718 49 2HG GLU 10 2HG GLU 10 -8.886 5.622 -2.818 50 H ASN 11 H ASN 11 -9.701 6.652 -7.041 51 HA ASN 11 HA ASN 11 -8.353 4.300 -7.384 52 1HB ASN 11 1HB ASN 11 -10.268 5.040 -8.798 53 2HB ASN 11 2HB ASN 11 -9.292 6.322 -9.486 54 1HD2 ASN 11 1HD2 ASN 11 -10.505 3.363 -10.044 55 2HD2 ASN 11 2HD2 ASN 11 -9.366 2.719 -11.179 56 H ASP 12 H ASP 12 -7.371 7.688 -7.818 57 HA ASP 12 HA ASP 12 -5.226 7.217 -9.539 58 1HB ASP 12 1HB ASP 12 -6.476 9.434 -8.331 59 2HB ASP 12 2HB ASP 12 -4.859 9.458 -7.656 60 H ILE 13 H ILE 13 -5.705 7.229 -5.979 61 HA ILE 13 HA ILE 13 -2.942 7.140 -5.338 62 HB ILE 13 HB ILE 13 -5.338 6.352 -3.677 63 1HG1 ILE 13 1HG1 ILE 13 -4.090 9.021 -3.345 64 2HG1 ILE 13 2HG1 ILE 13 -5.005 8.795 -4.822 65 1HG2 ILE 13 1HG2 ILE 13 -2.478 7.039 -2.974 66 2HG2 ILE 13 2HG2 ILE 13 -3.808 7.034 -1.791 67 3HG2 ILE 13 3HG2 ILE 13 -3.366 5.533 -2.640 68 1HD1 ILE 13 1HD1 ILE 13 -6.543 7.611 -2.711 69 2HD1 ILE 13 2HD1 ILE 13 -5.998 9.209 -2.146 70 3HD1 ILE 13 3HD1 ILE 13 -6.924 9.069 -3.659 71 H ILE 14 H ILE 14 -5.589 4.661 -5.471 72 HA ILE 14 HA ILE 14 -3.996 2.502 -4.777 73 HB ILE 14 HB ILE 14 -6.585 2.885 -6.207 74 1HG1 ILE 14 1HG1 ILE 14 -7.352 1.429 -4.301 75 2HG1 ILE 14 2HG1 ILE 14 -5.721 1.483 -3.663 76 1HG2 ILE 14 1HG2 ILE 14 -4.896 0.417 -6.303 77 2HG2 ILE 14 2HG2 ILE 14 -6.658 0.252 -6.115 78 3HG2 ILE 14 3HG2 ILE 14 -5.989 1.108 -7.525 79 1HD1 ILE 14 1HD1 ILE 14 -7.394 3.965 -4.263 80 2HD1 ILE 14 2HD1 ILE 14 -7.245 3.216 -2.655 81 3HD1 ILE 14 3HD1 ILE 14 -5.813 3.920 -3.445 82 H ARG 15 H ARG 15 -4.770 3.912 -8.019 83 HA ARG 15 HA ARG 15 -3.275 1.999 -9.387 84 1HB ARG 15 1HB ARG 15 -5.028 3.369 -10.481 85 2HB ARG 15 2HB ARG 15 -4.116 4.834 -10.176 86 1HG ARG 15 1HG ARG 15 -2.268 4.012 -11.625 87 2HG ARG 15 2HG ARG 15 -3.125 2.507 -11.892 88 1HD ARG 15 1HD ARG 15 -4.914 4.710 -12.504 89 2HD ARG 15 2HD ARG 15 -3.398 4.970 -13.344 90 HE ARG 15 HE ARG 15 -3.967 2.269 -13.772 91 1HH1 ARG 15 1HH1 ARG 15 -5.633 5.307 -14.387 92 2HH1 ARG 15 2HH1 ARG 15 -6.484 4.708 -15.772 93 1HH2 ARG 15 1HH2 ARG 15 -5.089 1.479 -15.600 94 2HH2 ARG 15 2HH2 ARG 15 -6.172 2.516 -16.467 95 H LEU 16 H LEU 16 -2.435 4.829 -7.525 96 HA LEU 16 HA LEU 16 -0.097 5.602 -8.859 97 1HB LEU 16 1HB LEU 16 -1.570 6.331 -6.555 98 2HB LEU 16 2HB LEU 16 0.074 6.030 -6.028 99 HG LEU 16 HG LEU 16 0.939 7.654 -7.620 100 1HD1 LEU 16 1HD1 LEU 16 -0.163 8.469 -9.385 101 2HD1 LEU 16 2HD1 LEU 16 -1.329 7.156 -9.091 102 3HD1 LEU 16 3HD1 LEU 16 -1.639 8.784 -8.441 103 1HD2 LEU 16 1HD2 LEU 16 0.459 9.480 -6.360 104 2HD2 LEU 16 2HD2 LEU 16 -1.297 9.191 -6.399 105 3HD2 LEU 16 3HD2 LEU 16 -0.263 8.239 -5.308 106 H ILE 17 H ILE 17 -0.583 3.466 -5.957 107 HA ILE 17 HA ILE 17 2.086 2.743 -5.722 108 HB ILE 17 HB ILE 17 -0.516 1.851 -4.699 109 1HG1 ILE 17 1HG1 ILE 17 0.820 3.345 -3.397 110 2HG1 ILE 17 2HG1 ILE 17 0.792 1.795 -2.579 111 1HG2 ILE 17 1HG2 ILE 17 0.215 -0.289 -5.571 112 2HG2 ILE 17 2HG2 ILE 17 1.807 -0.093 -4.800 113 3HG2 ILE 17 3HG2 ILE 17 0.348 -0.275 -3.796 114 1HD1 ILE 17 1HD1 ILE 17 3.007 1.482 -4.192 115 2HD1 ILE 17 2HD1 ILE 17 3.068 3.226 -3.841 116 3HD1 ILE 17 3HD1 ILE 17 3.063 2.049 -2.505 117 H ASN 18 H ASN 18 -0.598 1.368 -7.686 118 HA ASN 18 HA ASN 18 0.662 -0.916 -8.486 119 1HB ASN 18 1HB ASN 18 -1.723 0.420 -9.098 120 2HB ASN 18 2HB ASN 18 -0.880 0.448 -10.634 121 1HD2 ASN 18 1HD2 ASN 18 -0.552 -1.388 -11.780 122 2HD2 ASN 18 2HD2 ASN 18 -1.208 -2.938 -11.370 123 H ARG 19 H ARG 19 0.275 2.133 -10.462 124 HA ARG 19 HA ARG 19 1.901 1.597 -12.469 125 1HB ARG 19 1HB ARG 19 0.614 3.737 -12.118 126 2HB ARG 19 2HB ARG 19 1.833 4.269 -10.977 127 1HG ARG 19 1HG ARG 19 2.841 5.228 -12.787 128 2HG ARG 19 2HG ARG 19 3.411 3.610 -13.146 129 1HD ARG 19 1HD ARG 19 2.089 3.449 -14.998 130 2HD ARG 19 2HD ARG 19 0.669 3.992 -14.125 131 HE ARG 19 HE ARG 19 2.469 5.650 -15.733 132 1HH1 ARG 19 1HH1 ARG 19 0.101 5.665 -13.131 133 2HH1 ARG 19 2HH1 ARG 19 -0.313 7.333 -13.346 134 1HH2 ARG 19 1HH2 ARG 19 1.924 7.850 -16.017 135 2HH2 ARG 19 2HH2 ARG 19 0.730 8.585 -14.998 136 H THR 20 H THR 20 2.843 2.177 -9.114 137 HA THR 20 HA THR 20 5.602 2.711 -9.703 138 HB THR 20 HB THR 20 3.752 2.701 -7.416 139 HG1 THR 20 HG1 THR 20 5.319 4.362 -6.899 140 1HG2 THR 20 1HG2 THR 20 5.666 2.304 -5.757 141 2HG2 THR 20 2HG2 THR 20 5.036 0.824 -6.519 142 3HG2 THR 20 3HG2 THR 20 6.564 1.537 -7.088 143 H VAL 21 H VAL 21 3.959 -0.052 -8.011 144 HA VAL 21 HA VAL 21 6.069 -1.725 -7.862 145 HB VAL 21 HB VAL 21 3.190 -2.370 -8.521 146 1HG1 VAL 21 1HG1 VAL 21 4.621 -4.371 -6.964 147 2HG1 VAL 21 2HG1 VAL 21 3.644 -4.558 -8.440 148 3HG1 VAL 21 3HG1 VAL 21 5.366 -4.124 -8.562 149 1HG2 VAL 21 1HG2 VAL 21 3.755 -0.997 -6.427 150 2HG2 VAL 21 2HG2 VAL 21 2.784 -2.472 -6.203 151 3HG2 VAL 21 3HG2 VAL 21 4.520 -2.481 -5.808 152 H ILE 22 H ILE 22 4.371 -0.653 -10.758 153 HA ILE 22 HA ILE 22 5.072 -2.747 -12.460 154 HB ILE 22 HB ILE 22 4.491 0.172 -12.937 155 1HG1 ILE 22 1HG1 ILE 22 2.821 -2.340 -13.238 156 2HG1 ILE 22 2HG1 ILE 22 2.635 -1.106 -12.008 157 1HG2 ILE 22 1HG2 ILE 22 5.004 0.004 -15.091 158 2HG2 ILE 22 2HG2 ILE 22 5.797 -1.546 -14.721 159 3HG2 ILE 22 3HG2 ILE 22 4.098 -1.520 -15.252 160 1HD1 ILE 22 1HD1 ILE 22 2.613 0.326 -14.445 161 2HD1 ILE 22 2HD1 ILE 22 1.642 -1.133 -14.756 162 3HD1 ILE 22 3HD1 ILE 22 1.210 -0.045 -13.415 163 H HIS 23 H HIS 23 6.556 0.551 -12.636 164 HA HIS 23 HA HIS 23 9.033 -0.765 -13.394 165 1HB HIS 23 1HB HIS 23 8.445 2.198 -13.459 166 2HB HIS 23 2HB HIS 23 9.697 1.324 -14.319 167 HD1 HIS 23 HD1 HIS 23 8.813 -0.351 -16.280 168 HD2 HIS 23 HD2 HIS 23 6.062 2.462 -14.826 169 HE1 HIS 23 HE1 HIS 23 6.946 -0.215 -18.014 170 HE2 HIS 23 HE2 HIS 23 5.259 1.488 -17.039 171 H GLU 24 H GLU 24 8.211 -1.044 -10.660 172 HA GLU 24 HA GLU 24 10.440 0.352 -9.458 173 1HB GLU 24 1HB GLU 24 8.232 1.617 -9.037 174 2HB GLU 24 2HB GLU 24 7.736 0.245 -8.066 175 1HG GLU 24 1HG GLU 24 8.811 2.120 -6.739 176 2HG GLU 24 2HG GLU 24 9.569 0.556 -6.512 177 H ILE 25 H ILE 25 7.668 -1.873 -8.654 178 HA ILE 25 HA ILE 25 9.615 -3.583 -7.288 179 HB ILE 25 HB ILE 25 6.636 -3.830 -7.058 180 1HG1 ILE 25 1HG1 ILE 25 7.543 -1.406 -6.674 181 2HG1 ILE 25 2HG1 ILE 25 6.409 -2.119 -5.544 182 1HG2 ILE 25 1HG2 ILE 25 8.989 -4.981 -5.790 183 2HG2 ILE 25 2HG2 ILE 25 7.864 -4.275 -4.605 184 3HG2 ILE 25 3HG2 ILE 25 7.289 -5.509 -5.752 185 1HD1 ILE 25 1HD1 ILE 25 9.239 -2.746 -4.921 186 2HD1 ILE 25 2HD1 ILE 25 8.846 -1.012 -4.848 187 3HD1 ILE 25 3HD1 ILE 25 7.939 -2.173 -3.849 188 H TYR 26 H TYR 26 9.491 -3.442 -10.191 189 HA TYR 26 HA TYR 26 7.907 -5.277 -11.429 190 1HB TYR 26 1HB TYR 26 10.477 -3.892 -11.731 191 2HB TYR 26 2HB TYR 26 10.658 -5.526 -12.338 192 HD1 TYR 26 HD1 TYR 26 7.716 -5.791 -13.314 193 HD2 TYR 26 HD2 TYR 26 10.706 -2.778 -13.846 194 HE1 TYR 26 HE1 TYR 26 6.633 -5.092 -15.506 195 HE2 TYR 26 HE2 TYR 26 9.613 -2.089 -16.035 196 HH TYR 26 HH TYR 26 7.883 -2.325 -17.332 197 H ASN 27 H ASN 27 7.834 -7.501 -11.710 198 HA ASN 27 HA ASN 27 7.933 -9.514 -10.755 199 1HB ASN 27 1HB ASN 27 9.719 -9.169 -12.745 200 2HB ASN 27 2HB ASN 27 10.877 -9.500 -11.472 201 1HD2 ASN 27 1HD2 ASN 27 11.493 -11.413 -12.470 202 2HD2 ASN 27 2HD2 ASN 27 10.536 -12.857 -12.416 203 H GLU 28 H GLU 28 7.884 -8.367 -8.461 204 HA GLU 28 HA GLU 28 10.362 -9.066 -7.088 205 1HB GLU 28 1HB GLU 28 8.521 -6.692 -6.753 206 2HB GLU 28 2HB GLU 28 9.422 -7.274 -5.367 207 1HG GLU 28 1HG GLU 28 11.081 -7.048 -7.812 208 2HG GLU 28 2HG GLU 28 10.386 -5.518 -7.313 209 H THR 29 H THR 29 6.986 -8.176 -6.074 210 HA THR 29 HA THR 29 6.172 -10.759 -5.424 211 HB THR 29 HB THR 29 8.014 -9.486 -3.504 212 HG1 THR 29 HG1 THR 29 8.358 -11.671 -3.502 213 1HG2 THR 29 1HG2 THR 29 6.555 -10.555 -1.576 214 2HG2 THR 29 2HG2 THR 29 6.199 -8.886 -2.084 215 3HG2 THR 29 3HG2 THR 29 5.186 -10.229 -2.666 216 H VAL 30 H VAL 30 6.044 -7.552 -3.725 217 HA VAL 30 HA VAL 30 3.414 -7.577 -3.100 218 HB VAL 30 HB VAL 30 3.552 -5.205 -2.963 219 1HG1 VAL 30 1HG1 VAL 30 6.405 -6.078 -2.498 220 2HG1 VAL 30 2HG1 VAL 30 5.404 -4.957 -1.545 221 3HG1 VAL 30 3HG1 VAL 30 5.067 -6.704 -1.505 222 1HG2 VAL 30 1HG2 VAL 30 5.362 -5.499 -5.254 223 2HG2 VAL 30 2HG2 VAL 30 4.354 -4.119 -4.757 224 3HG2 VAL 30 3HG2 VAL 30 5.959 -4.359 -4.025 225 H LYS 31 H LYS 31 4.869 -7.376 -6.292 226 HA LYS 31 HA LYS 31 2.755 -6.141 -7.640 227 1HB LYS 31 1HB LYS 31 4.811 -6.234 -8.758 228 2HB LYS 31 2HB LYS 31 5.026 -7.945 -8.449 229 1HG LYS 31 1HG LYS 31 4.378 -7.546 -10.810 230 2HG LYS 31 2HG LYS 31 3.162 -8.496 -9.981 231 1HD LYS 31 1HD LYS 31 1.585 -6.943 -10.459 232 2HD LYS 31 2HD LYS 31 2.493 -5.724 -9.586 233 1HE LYS 31 1HE LYS 31 2.626 -4.716 -11.648 234 2HE LYS 31 2HE LYS 31 3.973 -5.813 -11.881 235 1HZ LYS 31 1HZ LYS 31 2.758 -6.404 -13.643 236 2HZ LYS 31 2HZ LYS 31 1.962 -7.359 -12.584 237 3HZ LYS 31 3HZ LYS 31 1.334 -5.914 -13.011 238 H THR 32 H THR 32 2.624 -8.861 -5.756 239 HA THR 32 HA THR 32 0.649 -10.164 -7.508 240 HB THR 32 HB THR 32 2.657 -11.515 -6.782 241 HG1 THR 32 HG1 THR 32 0.075 -12.102 -5.509 242 1HG2 THR 32 1HG2 THR 32 2.234 -10.286 -4.274 243 2HG2 THR 32 2HG2 THR 32 1.604 -11.937 -4.062 244 3HG2 THR 32 3HG2 THR 32 3.287 -11.687 -4.585 245 H GLY 33 H GLY 33 1.190 -8.462 -4.464 246 1HA GLY 33 1HA GLY 33 -1.265 -9.260 -3.241 247 2HA GLY 33 2HA GLY 33 -0.208 -7.946 -2.764 248 H HIS 34 H HIS 34 -0.568 -5.813 -3.533 249 HA HIS 34 HA HIS 34 -1.553 -4.200 -4.741 250 1HB HIS 34 1HB HIS 34 -3.676 -6.096 -5.740 251 2HB HIS 34 2HB HIS 34 -3.176 -4.561 -6.422 252 HD1 HIS 34 HD1 HIS 34 -0.491 -4.599 -7.279 253 HD2 HIS 34 HD2 HIS 34 -2.554 -8.241 -7.001 254 HE1 HIS 34 HE1 HIS 34 0.794 -6.261 -8.727 255 HE2 HIS 34 HE2 HIS 34 -0.490 -8.493 -8.473 256 H VAL 35 H VAL 35 -2.935 -2.667 -3.872 257 HA VAL 35 HA VAL 35 -4.153 -3.246 -1.438 258 HB VAL 35 HB VAL 35 -4.568 -0.947 -3.360 259 1HG1 VAL 35 1HG1 VAL 35 -4.884 -0.319 -0.541 260 2HG1 VAL 35 2HG1 VAL 35 -5.983 -0.009 -1.907 261 3HG1 VAL 35 3HG1 VAL 35 -6.038 -1.572 -1.056 262 1HG2 VAL 35 1HG2 VAL 35 -2.354 -0.698 -2.892 263 2HG2 VAL 35 2HG2 VAL 35 -3.002 0.066 -1.421 264 3HG2 VAL 35 3HG2 VAL 35 -2.452 -1.627 -1.377 265 H THR 36 H THR 36 -5.637 -2.595 -4.693 266 HA THR 36 HA THR 36 -7.538 -3.322 -5.596 267 HB THR 36 HB THR 36 -8.174 -5.512 -5.097 268 HG1 THR 36 HG1 THR 36 -7.579 -4.856 -2.303 269 1HG2 THR 36 1HG2 THR 36 -5.475 -5.105 -4.591 270 2HG2 THR 36 2HG2 THR 36 -6.027 -5.810 -3.052 271 3HG2 THR 36 3HG2 THR 36 -6.265 -6.700 -4.575 272 H HIS 37 H HIS 37 -7.374 -2.225 -2.292 273 HA HIS 37 HA HIS 37 -9.563 -0.555 -2.637 274 1HB HIS 37 1HB HIS 37 -10.720 -2.833 -2.453 275 2HB HIS 37 2HB HIS 37 -10.224 -2.839 -0.772 276 HD1 HIS 37 HD1 HIS 37 -10.812 0.038 0.094 277 HD2 HIS 37 HD2 HIS 37 -13.378 -2.208 -2.350 278 HE1 HIS 37 HE1 HIS 37 -13.131 1.072 0.351 279 HE2 HIS 37 HE2 HIS 37 -14.653 -0.316 -1.216 280 H VAL 38 H VAL 38 -7.942 0.885 -1.849 281 HA VAL 38 HA VAL 38 -6.698 0.384 0.667 282 HB VAL 38 HB VAL 38 -6.196 1.941 -1.538 283 1HG1 VAL 38 1HG1 VAL 38 -6.224 4.257 -0.897 284 2HG1 VAL 38 2HG1 VAL 38 -7.868 3.608 -0.682 285 3HG1 VAL 38 3HG1 VAL 38 -6.817 3.855 0.733 286 1HG2 VAL 38 1HG2 VAL 38 -4.229 1.556 -0.543 287 2HG2 VAL 38 2HG2 VAL 38 -4.549 3.000 0.447 288 3HG2 VAL 38 3HG2 VAL 38 -4.988 1.387 1.058 289 H LYS 39 H LYS 39 -7.132 1.348 2.688 290 HA LYS 39 HA LYS 39 -9.765 2.646 2.823 291 1HB LYS 39 1HB LYS 39 -8.907 0.248 4.019 292 2HB LYS 39 2HB LYS 39 -8.908 1.430 5.313 293 1HG LYS 39 1HG LYS 39 -11.262 1.237 3.401 294 2HG LYS 39 2HG LYS 39 -11.135 0.148 4.768 295 1HD LYS 39 1HD LYS 39 -12.389 1.921 5.674 296 2HD LYS 39 2HD LYS 39 -10.765 2.322 6.196 297 1HE LYS 39 1HE LYS 39 -10.511 4.015 4.523 298 2HE LYS 39 2HE LYS 39 -11.841 3.396 3.564 299 1HZ LYS 39 1HZ LYS 39 -12.058 4.690 6.192 300 2HZ LYS 39 2HZ LYS 39 -12.541 5.306 4.759 301 3HZ LYS 39 3HZ LYS 39 -13.317 4.018 5.397 302 H LEU 40 H LEU 40 -9.070 4.790 2.667 303 HA LEU 40 HA LEU 40 -6.813 5.847 3.810 304 1HB LEU 40 1HB LEU 40 -9.370 6.836 2.758 305 2HB LEU 40 2HB LEU 40 -8.626 7.901 3.935 306 HG LEU 40 HG LEU 40 -8.070 8.387 1.540 307 1HD1 LEU 40 1HD1 LEU 40 -6.573 8.730 3.757 308 2HD1 LEU 40 2HD1 LEU 40 -5.447 7.767 2.770 309 3HD1 LEU 40 3HD1 LEU 40 -6.096 9.300 2.140 310 1HD2 LEU 40 1HD2 LEU 40 -5.989 6.702 0.936 311 2HD2 LEU 40 2HD2 LEU 40 -7.183 5.591 1.650 312 3HD2 LEU 40 3HD2 LEU 40 -7.632 6.607 0.258 313 H SER 41 H SER 41 -6.311 6.860 5.795 314 HA SER 41 HA SER 41 -8.309 6.834 7.839 315 1HB SER 41 1HB SER 41 -7.124 4.489 7.722 316 2HB SER 41 2HB SER 41 -5.752 5.317 8.432 317 HG SER 41 HG SER 41 -6.742 4.923 10.292 318 H ASP 42 H ASP 42 -8.002 8.669 9.064 319 HA ASP 42 HA ASP 42 -6.967 10.256 10.163 320 1HB ASP 42 1HB ASP 42 -5.002 8.488 10.305 321 2HB ASP 42 2HB ASP 42 -4.249 9.471 9.066 322 H ASP 43 H ASP 43 -7.632 10.024 7.124 323 HA ASP 43 HA ASP 43 -7.882 11.682 5.658 324 1HB ASP 43 1HB ASP 43 -6.765 13.235 7.486 325 2HB ASP 43 2HB ASP 43 -5.309 13.033 6.532 326 H LEU 44 H LEU 44 -4.703 10.308 6.552 327 HA LEU 44 HA LEU 44 -4.237 9.002 4.222 328 1HB LEU 44 1HB LEU 44 -2.420 10.538 3.238 329 2HB LEU 44 2HB LEU 44 -4.102 10.803 2.826 330 HG LEU 44 HG LEU 44 -3.904 12.471 4.944 331 1HD1 LEU 44 1HD1 LEU 44 -1.747 13.704 4.743 332 2HD1 LEU 44 2HD1 LEU 44 -1.585 12.062 5.413 333 3HD1 LEU 44 3HD1 LEU 44 -1.134 12.382 3.721 334 1HD2 LEU 44 1HD2 LEU 44 -4.797 13.071 2.773 335 2HD2 LEU 44 2HD2 LEU 44 -3.620 14.296 3.306 336 3HD2 LEU 44 3HD2 LEU 44 -3.160 13.097 2.073 337 H LEU 45 H LEU 45 -2.949 10.926 6.931 338 HA LEU 45 HA LEU 45 -0.414 10.115 7.164 339 1HB LEU 45 1HB LEU 45 -2.590 10.681 9.098 340 2HB LEU 45 2HB LEU 45 -1.162 9.890 9.736 341 HG LEU 45 HG LEU 45 -0.755 12.307 8.027 342 1HD1 LEU 45 1HD1 LEU 45 -2.218 12.300 10.611 343 2HD1 LEU 45 2HD1 LEU 45 -0.945 13.528 10.411 344 3HD1 LEU 45 3HD1 LEU 45 -2.288 13.440 9.246 345 1HD2 LEU 45 1HD2 LEU 45 0.609 11.689 10.630 346 2HD2 LEU 45 2HD2 LEU 45 1.033 10.786 9.156 347 3HD2 LEU 45 3HD2 LEU 45 1.220 12.556 9.200 348 H HIS 46 H HIS 46 -3.312 8.090 7.448 349 HA HIS 46 HA HIS 46 -1.513 5.804 7.741 350 1HB HIS 46 1HB HIS 46 -3.973 6.467 9.335 351 2HB HIS 46 2HB HIS 46 -3.561 4.790 9.037 352 HD1 HIS 46 HD1 HIS 46 -2.157 3.778 10.828 353 HD2 HIS 46 HD2 HIS 46 -1.511 7.907 10.478 354 HE1 HIS 46 HE1 HIS 46 -0.480 4.395 12.649 355 HE2 HIS 46 HE2 HIS 46 -0.081 6.934 12.350 356 H VAL 47 H VAL 47 -1.556 5.147 5.602 357 HA VAL 47 HA VAL 47 -4.177 4.940 4.334 358 HB VAL 47 HB VAL 47 -1.358 5.197 3.443 359 1HG1 VAL 47 1HG1 VAL 47 -3.293 3.318 2.203 360 2HG1 VAL 47 2HG1 VAL 47 -2.459 4.429 1.090 361 3HG1 VAL 47 3HG1 VAL 47 -1.514 3.347 2.141 362 1HG2 VAL 47 1HG2 VAL 47 -2.695 6.467 1.582 363 2HG2 VAL 47 2HG2 VAL 47 -4.045 6.349 2.735 364 3HG2 VAL 47 3HG2 VAL 47 -2.542 7.177 3.207 365 H THR 48 H THR 48 -5.235 3.082 4.848 366 HA THR 48 HA THR 48 -3.740 0.698 5.468 367 HB THR 48 HB THR 48 -6.755 1.084 5.136 368 HG1 THR 48 HG1 THR 48 -6.616 1.956 7.252 369 1HG2 THR 48 1HG2 THR 48 -6.976 -0.836 6.425 370 2HG2 THR 48 2HG2 THR 48 -5.385 -1.218 5.726 371 3HG2 THR 48 3HG2 THR 48 -5.494 -0.498 7.350 372 H VAL 49 H VAL 49 -2.639 -0.119 3.738 373 HA VAL 49 HA VAL 49 -4.042 -0.347 1.214 374 HB VAL 49 HB VAL 49 -1.839 -1.283 0.476 375 1HG1 VAL 49 1HG1 VAL 49 -2.417 1.085 0.176 376 2HG1 VAL 49 2HG1 VAL 49 -1.772 1.454 1.793 377 3HG1 VAL 49 3HG1 VAL 49 -0.680 0.883 0.509 378 1HG2 VAL 49 1HG2 VAL 49 -1.388 -1.585 3.221 379 2HG2 VAL 49 2HG2 VAL 49 -0.209 -1.818 1.908 380 3HG2 VAL 49 3HG2 VAL 49 -0.324 -0.245 2.732 381 H TYR 50 H TYR 50 -5.039 -2.170 0.482 382 HA TYR 50 HA TYR 50 -4.901 -4.501 2.246 383 1HB TYR 50 1HB TYR 50 -6.761 -3.346 0.101 384 2HB TYR 50 2HB TYR 50 -6.930 -5.026 0.570 385 HD1 TYR 50 HD1 TYR 50 -6.243 -1.970 2.637 386 HD2 TYR 50 HD2 TYR 50 -8.908 -5.207 1.786 387 HE1 TYR 50 HE1 TYR 50 -7.716 -1.282 4.592 388 HE2 TYR 50 HE2 TYR 50 -10.371 -4.508 3.744 389 HH TYR 50 HH TYR 50 -9.400 -2.657 6.147 390 H LEU 51 H LEU 51 -2.599 -4.713 1.162 391 HA LEU 51 HA LEU 51 -2.086 -5.285 -1.386 392 1HB LEU 51 1HB LEU 51 -1.070 -7.228 0.633 393 2HB LEU 51 2HB LEU 51 -0.229 -6.419 -0.674 394 HG LEU 51 HG LEU 51 -0.967 -5.323 2.038 395 1HD1 LEU 51 1HD1 LEU 51 1.604 -4.655 1.656 396 2HD1 LEU 51 2HD1 LEU 51 1.090 -6.212 2.350 397 3HD1 LEU 51 3HD1 LEU 51 1.526 -6.106 0.628 398 1HD2 LEU 51 1HD2 LEU 51 -1.292 -3.299 1.188 399 2HD2 LEU 51 2HD2 LEU 51 0.406 -3.309 0.652 400 3HD2 LEU 51 3HD2 LEU 51 -0.879 -3.858 -0.451 401 H ASP 52 H ASP 52 -4.017 -7.276 0.861 402 HA ASP 52 HA ASP 52 -5.044 -9.192 0.602 403 1HB ASP 52 1HB ASP 52 -6.156 -7.319 -1.045 404 2HB ASP 52 2HB ASP 52 -5.768 -8.542 -2.238 405 H CYS 53 H CYS 53 -2.567 -10.004 0.319 406 HA CYS 53 HA CYS 53 -1.569 -10.711 -2.133 407 1HB CYS 53 1HB CYS 53 -0.006 -12.015 -0.990 408 2HB CYS 53 2HB CYS 53 -0.464 -10.806 0.193 409 HG CYS 53 HG CYS 53 -0.741 -12.519 1.832 410 H TYR 54 H TYR 54 -1.199 -13.379 -2.468 411 HA TYR 54 HA TYR 54 -3.305 -14.356 -3.754 412 1HB TYR 54 1HB TYR 54 -0.907 -15.327 -2.334 413 2HB TYR 54 2HB TYR 54 -2.171 -16.537 -2.234 414 HD1 TYR 54 HD1 TYR 54 -1.156 -14.186 -4.984 415 HD2 TYR 54 HD2 TYR 54 -1.710 -18.242 -3.740 416 HE1 TYR 54 HE1 TYR 54 -0.578 -14.991 -7.325 417 HE2 TYR 54 HE2 TYR 54 -1.130 -19.033 -6.085 418 HH TYR 54 HH TYR 54 0.301 -17.005 -8.368 419 H ASN 55 H ASN 55 -2.683 -14.971 -0.225 420 HA ASN 55 HA ASN 55 -5.515 -15.055 0.167 421 1HB ASN 55 1HB ASN 55 -4.870 -17.441 -0.435 422 2HB ASN 55 2HB ASN 55 -3.770 -17.456 0.929 423 1HD2 ASN 55 1HD2 ASN 55 -6.003 -19.172 0.469 424 2HD2 ASN 55 2HD2 ASN 55 -7.131 -18.972 1.768 425 H ARG 56 H ARG 56 -2.305 -16.001 1.628 426 HA ARG 56 HA ARG 56 -2.252 -13.907 3.401 427 1HB ARG 56 1HB ARG 56 -2.615 -15.306 5.562 428 2HB ARG 56 2HB ARG 56 -4.050 -14.805 4.690 429 1HG ARG 56 1HG ARG 56 -4.668 -16.983 4.573 430 2HG ARG 56 2HG ARG 56 -3.321 -17.260 3.487 431 1HD ARG 56 1HD ARG 56 -2.366 -18.588 5.060 432 2HD ARG 56 2HD ARG 56 -2.180 -17.188 6.098 433 HE ARG 56 HE ARG 56 -4.886 -18.281 6.187 434 1HH1 ARG 56 1HH1 ARG 56 -1.633 -18.606 7.488 435 2HH1 ARG 56 2HH1 ARG 56 -2.157 -19.372 8.951 436 1HH2 ARG 56 1HH2 ARG 56 -5.578 -19.291 8.117 437 2HH2 ARG 56 2HH2 ARG 56 -4.416 -19.765 9.311 438 H GLU 57 H GLU 57 -1.495 -17.343 2.704 439 HA GLU 57 HA GLU 57 0.818 -17.452 4.259 440 1HB GLU 57 1HB GLU 57 1.302 -19.516 3.011 441 2HB GLU 57 2HB GLU 57 -0.393 -19.458 3.452 442 1HG GLU 57 1HG GLU 57 -1.104 -19.044 1.247 443 2HG GLU 57 2HG GLU 57 0.420 -18.318 0.776 444 H GLN 58 H GLN 58 0.109 -15.617 1.499 445 HA GLN 58 HA GLN 58 2.866 -15.714 0.587 446 1HB GLN 58 1HB GLN 58 0.563 -15.782 -0.878 447 2HB GLN 58 2HB GLN 58 0.846 -14.053 -0.865 448 1HG GLN 58 1HG GLN 58 2.991 -14.274 -1.914 449 2HG GLN 58 2HG GLN 58 3.090 -15.986 -1.552 450 1HE2 GLN 58 1HE2 GLN 58 2.270 -17.453 -2.908 451 2HE2 GLN 58 2HE2 GLN 58 1.445 -17.109 -4.391 452 H ILE 59 H ILE 59 0.568 -13.839 2.418 453 HA ILE 59 HA ILE 59 1.324 -11.261 2.002 454 HB ILE 59 HB ILE 59 -0.273 -12.609 3.754 455 1HG1 ILE 59 1HG1 ILE 59 -0.369 -10.061 4.739 456 2HG1 ILE 59 2HG1 ILE 59 0.420 -9.790 3.197 457 1HG2 ILE 59 1HG2 ILE 59 0.400 -11.773 6.020 458 2HG2 ILE 59 2HG2 ILE 59 1.424 -13.074 5.366 459 3HG2 ILE 59 3HG2 ILE 59 1.999 -11.389 5.338 460 1HD1 ILE 59 1HD1 ILE 59 -2.211 -9.802 3.314 461 2HD1 ILE 59 2HD1 ILE 59 -1.402 -10.616 1.954 462 3HD1 ILE 59 3HD1 ILE 59 -2.025 -11.572 3.320 463 H ASP 60 H ASP 60 2.881 -13.646 4.252 464 HA ASP 60 HA ASP 60 4.741 -12.170 5.384 465 1HB ASP 60 1HB ASP 60 4.353 -14.868 5.018 466 2HB ASP 60 2HB ASP 60 5.838 -14.647 4.114 467 H ARG 61 H ARG 61 4.644 -13.264 1.965 468 HA ARG 61 HA ARG 61 7.273 -12.351 1.429 469 1HB ARG 61 1HB ARG 61 5.050 -13.026 -0.560 470 2HB ARG 61 2HB ARG 61 6.768 -12.972 -0.903 471 1HG ARG 61 1HG ARG 61 7.144 -14.845 0.722 472 2HG ARG 61 2HG ARG 61 5.423 -14.904 1.047 473 1HD ARG 61 1HD ARG 61 5.030 -16.142 -0.823 474 2HD ARG 61 2HD ARG 61 5.898 -15.006 -1.836 475 HE ARG 61 HE ARG 61 6.969 -17.466 -0.650 476 1HH1 ARG 61 1HH1 ARG 61 7.778 -14.338 -2.044 477 2HH1 ARG 61 2HH1 ARG 61 9.384 -14.808 -2.488 478 1HH2 ARG 61 1HH2 ARG 61 9.089 -18.087 -1.236 479 2HH2 ARG 61 2HH2 ARG 61 10.135 -16.955 -2.026 480 H VAL 62 H VAL 62 3.906 -11.308 0.527 481 HA VAL 62 HA VAL 62 4.690 -9.010 -0.853 482 HB VAL 62 HB VAL 62 2.106 -9.349 0.657 483 1HG1 VAL 62 1HG1 VAL 62 1.956 -8.409 -2.090 484 2HG1 VAL 62 2HG1 VAL 62 1.375 -7.645 -0.590 485 3HG1 VAL 62 3HG1 VAL 62 3.057 -7.402 -1.119 486 1HG2 VAL 62 1HG2 VAL 62 1.533 -10.424 -1.770 487 2HG2 VAL 62 2HG2 VAL 62 3.199 -11.007 -1.545 488 3HG2 VAL 62 3HG2 VAL 62 1.953 -11.382 -0.330 489 H VAL 63 H VAL 63 3.184 -9.225 2.454 490 HA VAL 63 HA VAL 63 3.647 -6.631 3.183 491 HB VAL 63 HB VAL 63 3.627 -9.156 4.845 492 1HG1 VAL 63 1HG1 VAL 63 4.677 -7.327 6.096 493 2HG1 VAL 63 2HG1 VAL 63 3.290 -6.271 5.736 494 3HG1 VAL 63 3HG1 VAL 63 3.069 -7.713 6.757 495 1HG2 VAL 63 1HG2 VAL 63 1.358 -9.062 4.854 496 2HG2 VAL 63 2HG2 VAL 63 1.320 -7.283 4.802 497 3HG2 VAL 63 3HG2 VAL 63 1.612 -8.211 3.311 498 H GLY 64 H GLY 64 5.838 -9.489 3.436 499 1HA GLY 64 1HA GLY 64 7.907 -8.214 4.837 500 2HA GLY 64 2HA GLY 64 8.047 -9.637 3.823 501 H ALA 65 H ALA 65 7.000 -8.288 1.367 502 HA ALA 65 HA ALA 65 9.498 -7.179 0.519 503 1HB ALA 65 1HB ALA 65 8.448 -7.165 -1.671 504 2HB ALA 65 2HB ALA 65 8.040 -8.693 -0.855 505 3HB ALA 65 3HB ALA 65 6.837 -7.384 -0.946 506 H PHE 66 H PHE 66 6.158 -5.997 1.199 507 HA PHE 66 HA PHE 66 6.461 -3.427 0.255 508 1HB PHE 66 1HB PHE 66 4.843 -4.955 2.283 509 2HB PHE 66 2HB PHE 66 4.850 -3.220 2.525 510 HD1 PHE 66 HD1 PHE 66 3.974 -5.892 0.134 511 HD2 PHE 66 HD2 PHE 66 3.608 -1.776 1.101 512 HE1 PHE 66 HE1 PHE 66 2.187 -5.641 -1.610 513 HE2 PHE 66 HE2 PHE 66 1.821 -1.525 -0.644 514 HZ PHE 66 HZ PHE 66 1.132 -3.460 -1.978 515 H ASN 67 H ASN 67 7.804 -4.975 3.132 516 HA ASN 67 HA ASN 67 8.153 -2.737 4.696 517 1HB ASN 67 1HB ASN 67 8.546 -5.209 5.311 518 2HB ASN 67 2HB ASN 67 10.084 -5.103 4.476 519 1HD2 ASN 67 1HD2 ASN 67 10.268 -5.806 6.972 520 2HD2 ASN 67 2HD2 ASN 67 10.824 -4.541 8.016 521 H GLN 68 H GLN 68 10.436 -4.424 2.403 522 HA GLN 68 HA GLN 68 12.331 -2.326 2.615 523 1HB GLN 68 1HB GLN 68 13.661 -3.632 1.078 524 2HB GLN 68 2HB GLN 68 12.899 -4.750 2.192 525 1HG GLN 68 1HG GLN 68 11.792 -5.799 0.507 526 2HG GLN 68 2HG GLN 68 11.140 -4.285 -0.088 527 1HE2 GLN 68 1HE2 GLN 68 11.460 -4.390 -2.200 528 2HE2 GLN 68 2HE2 GLN 68 12.980 -4.608 -3.000 529 H ALA 69 H ALA 69 9.389 -2.723 0.927 530 HA ALA 69 HA ALA 69 10.264 -0.939 -1.229 531 1HB ALA 69 1HB ALA 69 7.727 -1.698 -1.883 532 2HB ALA 69 2HB ALA 69 9.187 -2.591 -2.373 533 3HB ALA 69 3HB ALA 69 8.259 -3.115 -0.947 534 H LYS 70 H LYS 70 9.409 -0.563 1.836 535 HA LYS 70 HA LYS 70 7.059 1.008 1.667 536 1HB LYS 70 1HB LYS 70 8.487 -0.191 3.682 537 2HB LYS 70 2HB LYS 70 8.895 1.495 3.924 538 1HG LYS 70 1HG LYS 70 6.378 2.012 3.759 539 2HG LYS 70 2HG LYS 70 6.098 0.283 3.808 540 1HD LYS 70 1HD LYS 70 7.829 0.630 5.954 541 2HD LYS 70 2HD LYS 70 6.919 2.127 5.990 542 1HE LYS 70 1HE LYS 70 5.064 1.079 6.787 543 2HE LYS 70 2HE LYS 70 5.116 -0.123 5.514 544 1HZ LYS 70 1HZ LYS 70 6.820 -0.211 7.905 545 2HZ LYS 70 2HZ LYS 70 5.417 -1.031 7.749 546 3HZ LYS 70 3HZ LYS 70 6.676 -1.374 6.768 547 H GLY 71 H GLY 71 10.174 1.492 0.465 548 1HA GLY 71 1HA GLY 71 10.449 4.289 1.069 549 2HA GLY 71 2HA GLY 71 11.410 3.329 -0.038 550 H VAL 72 H VAL 72 9.903 2.431 -2.018 551 HA VAL 72 HA VAL 72 9.327 4.658 -3.556 552 HB VAL 72 HB VAL 72 8.080 2.883 -4.960 553 1HG1 VAL 72 1HG1 VAL 72 10.965 3.158 -4.331 554 2HG1 VAL 72 2HG1 VAL 72 10.501 1.685 -5.215 555 3HG1 VAL 72 3HG1 VAL 72 10.108 3.287 -5.885 556 1HG2 VAL 72 1HG2 VAL 72 9.409 0.629 -3.882 557 2HG2 VAL 72 2HG2 VAL 72 8.543 1.401 -2.532 558 3HG2 VAL 72 3HG2 VAL 72 7.656 0.917 -3.997 559 H PHE 73 H PHE 73 6.993 2.290 -2.072 560 HA PHE 73 HA PHE 73 4.685 3.534 -2.748 561 1HB PHE 73 1HB PHE 73 5.429 2.321 -0.020 562 2HB PHE 73 2HB PHE 73 3.813 2.381 -0.694 563 HD1 PHE 73 HD1 PHE 73 5.375 1.713 -3.541 564 HD2 PHE 73 HD2 PHE 73 4.831 -0.146 0.235 565 HE1 PHE 73 HE1 PHE 73 5.731 -0.536 -4.597 566 HE2 PHE 73 HE2 PHE 73 5.187 -2.395 -0.822 567 HZ PHE 73 HZ PHE 73 5.633 -2.563 -3.225 568 H SER 74 H SER 74 6.644 4.140 0.255 569 HA SER 74 HA SER 74 4.975 6.068 1.273 570 1HB SER 74 1HB SER 74 6.925 6.748 2.644 571 2HB SER 74 2HB SER 74 6.767 5.004 2.578 572 HG SER 74 HG SER 74 8.566 6.601 0.960 573 H ARG 75 H ARG 75 7.518 6.208 -1.226 574 HA ARG 75 HA ARG 75 7.911 8.932 -1.214 575 1HB ARG 75 1HB ARG 75 8.853 6.743 -2.678 576 2HB ARG 75 2HB ARG 75 7.995 7.663 -3.898 577 1HG ARG 75 1HG ARG 75 9.485 9.424 -3.823 578 2HG ARG 75 2HG ARG 75 9.715 9.299 -2.091 579 1HD ARG 75 1HD ARG 75 11.740 8.365 -2.569 580 2HD ARG 75 2HD ARG 75 10.851 6.919 -3.004 581 HE ARG 75 HE ARG 75 10.729 8.446 -5.312 582 1HH1 ARG 75 1HH1 ARG 75 13.363 7.339 -3.258 583 2HH1 ARG 75 2HH1 ARG 75 14.516 7.281 -4.550 584 1HH2 ARG 75 1HH2 ARG 75 12.249 8.370 -7.016 585 2HH2 ARG 75 2HH2 ARG 75 13.878 7.871 -6.702 586 H VAL 76 H VAL 76 5.379 6.869 -2.660 587 HA VAL 76 HA VAL 76 4.324 8.522 -4.556 588 HB VAL 76 HB VAL 76 2.881 6.726 -2.596 589 1HG1 VAL 76 1HG1 VAL 76 1.793 8.491 -4.486 590 2HG1 VAL 76 2HG1 VAL 76 1.731 6.888 -5.257 591 3HG1 VAL 76 3HG1 VAL 76 0.967 7.142 -3.670 592 1HG2 VAL 76 1HG2 VAL 76 4.247 6.188 -5.244 593 2HG2 VAL 76 2HG2 VAL 76 4.545 5.419 -3.666 594 3HG2 VAL 76 3HG2 VAL 76 3.032 5.091 -4.545 595 H LEU 77 H LEU 77 3.451 8.415 -1.028 596 HA LEU 77 HA LEU 77 1.811 10.719 -1.257 597 1HB LEU 77 1HB LEU 77 2.936 9.788 1.345 598 2HB LEU 77 2HB LEU 77 1.342 10.410 0.969 599 HG LEU 77 HG LEU 77 1.640 7.977 -0.476 600 1HD1 LEU 77 1HD1 LEU 77 2.661 6.475 0.822 601 2HD1 LEU 77 2HD1 LEU 77 3.386 7.873 1.653 602 3HD1 LEU 77 3HD1 LEU 77 1.915 7.114 2.307 603 1HD2 LEU 77 1HD2 LEU 77 -0.445 9.019 0.398 604 2HD2 LEU 77 2HD2 LEU 77 -0.287 7.289 0.784 605 3HD2 LEU 77 3HD2 LEU 77 0.035 8.512 2.036 606 H ALA 78 H ALA 78 5.231 10.067 -0.453 607 HA ALA 78 HA ALA 78 5.952 12.394 0.755 608 1HB ALA 78 1HB ALA 78 7.339 10.321 0.192 609 2HB ALA 78 2HB ALA 78 7.574 11.033 -1.422 610 3HB ALA 78 3HB ALA 78 8.169 11.886 0.023 611 H HIS 79 H HIS 79 5.523 11.755 -2.779 612 HA HIS 79 HA HIS 79 6.440 14.099 -3.778 613 1HB HIS 79 1HB HIS 79 5.776 12.341 -5.231 614 2HB HIS 79 2HB HIS 79 4.132 12.344 -4.622 615 HD1 HIS 79 HD1 HIS 79 2.622 14.478 -5.301 616 HD2 HIS 79 HD2 HIS 79 6.253 14.053 -7.359 617 HE1 HIS 79 HE1 HIS 79 2.454 15.972 -7.363 618 HE2 HIS 79 HE2 HIS 79 4.735 15.711 -8.558 619 H ASN 80 H ASN 80 3.565 13.522 -1.815 620 HA ASN 80 HA ASN 80 2.482 16.091 -2.497 621 1HB ASN 80 1HB ASN 80 1.494 13.629 -1.343 622 2HB ASN 80 2HB ASN 80 1.208 14.905 -0.176 623 1HD2 ASN 80 1HD2 ASN 80 0.194 16.899 -0.967 624 2HD2 ASN 80 2HD2 ASN 80 -1.029 16.802 -2.190 625 H LEU 81 H LEU 81 3.388 14.317 0.568 626 HA LEU 81 HA LEU 81 3.814 16.868 1.883 627 1HB LEU 81 1HB LEU 81 3.486 14.027 2.750 628 2HB LEU 81 2HB LEU 81 4.311 15.148 3.814 629 HG LEU 81 HG LEU 81 1.819 14.794 4.188 630 1HD1 LEU 81 1HD1 LEU 81 1.472 17.398 4.388 631 2HD1 LEU 81 2HD1 LEU 81 2.645 16.542 5.418 632 3HD1 LEU 81 3HD1 LEU 81 3.205 17.438 3.985 633 1HD2 LEU 81 1HD2 LEU 81 0.316 16.214 2.794 634 2HD2 LEU 81 2HD2 LEU 81 1.667 16.456 1.661 635 3HD2 LEU 81 3HD2 LEU 81 1.012 14.823 1.929 636 H TYR 82 H TYR 82 5.750 14.167 2.946 637 HA TYR 82 HA TYR 82 7.983 14.302 1.403 638 1HB TYR 82 1HB TYR 82 7.443 16.721 2.999 639 2HB TYR 82 2HB TYR 82 8.922 15.974 3.570 640 HD1 TYR 82 HD1 TYR 82 10.443 15.098 1.409 641 HD2 TYR 82 HD2 TYR 82 7.764 18.433 1.480 642 HE1 TYR 82 HE1 TYR 82 11.718 16.173 -0.510 643 HE2 TYR 82 HE2 TYR 82 9.048 19.497 -0.438 644 HH TYR 82 HH TYR 82 11.027 19.441 -1.526 645 H LEU 83 H LEU 83 7.314 14.851 4.940 646 HA LEU 83 HA LEU 83 9.222 12.889 5.690 647 1HB LEU 83 1HB LEU 83 7.845 14.988 6.901 648 2HB LEU 83 2HB LEU 83 7.237 13.553 7.703 649 HG LEU 83 HG LEU 83 10.141 14.392 7.483 650 1HD1 LEU 83 1HD1 LEU 83 9.984 14.667 9.933 651 2HD1 LEU 83 2HD1 LEU 83 8.912 15.775 9.043 652 3HD1 LEU 83 3HD1 LEU 83 8.238 14.333 9.840 653 1HD2 LEU 83 1HD2 LEU 83 10.291 12.078 7.473 654 2HD2 LEU 83 2HD2 LEU 83 10.390 12.471 9.206 655 3HD2 LEU 83 3HD2 LEU 83 8.862 11.873 8.515 656 H ALA 84 H ALA 84 8.789 10.841 6.772 657 HA ALA 84 HA ALA 84 6.652 9.445 5.454 658 1HB ALA 84 1HB ALA 84 7.686 7.473 6.518 659 2HB ALA 84 2HB ALA 84 8.911 8.476 5.704 660 3HB ALA 84 3HB ALA 84 8.743 8.539 7.475 661 H LYS 85 H LYS 85 7.571 10.382 8.825 662 HA LYS 85 HA LYS 85 5.412 9.123 10.064 663 1HB LYS 85 1HB LYS 85 6.048 10.317 12.001 664 2HB LYS 85 2HB LYS 85 7.531 9.992 11.127 665 1HG LYS 85 1HG LYS 85 7.715 12.283 11.741 666 2HG LYS 85 2HG LYS 85 7.245 12.333 10.053 667 1HD LYS 85 1HD LYS 85 5.355 13.476 10.564 668 2HD LYS 85 2HD LYS 85 4.838 12.206 11.656 669 1HE LYS 85 1HE LYS 85 7.024 13.936 12.719 670 2HE LYS 85 2HE LYS 85 5.506 14.768 12.444 671 1HZ LYS 85 1HZ LYS 85 4.980 13.918 14.409 672 2HZ LYS 85 2HZ LYS 85 4.714 12.510 13.625 673 3HZ LYS 85 3HZ LYS 85 6.140 12.769 14.377 674 H ALA 86 H ALA 86 5.636 11.995 8.077 675 HA ALA 86 HA ALA 86 3.189 13.121 9.108 676 1HB ALA 86 1HB ALA 86 4.948 14.620 8.377 677 2HB ALA 86 2HB ALA 86 5.027 13.825 6.786 678 3HB ALA 86 3HB ALA 86 3.585 14.764 7.241 679 H VAL 87 H VAL 87 4.197 10.722 6.794 680 HA VAL 87 HA VAL 87 1.585 9.974 6.207 681 HB VAL 87 HB VAL 87 1.403 12.006 4.948 682 1HG1 VAL 87 1HG1 VAL 87 3.025 12.078 2.821 683 2HG1 VAL 87 2HG1 VAL 87 3.449 12.843 4.371 684 3HG1 VAL 87 3HG1 VAL 87 4.114 11.244 3.957 685 1HG2 VAL 87 1HG2 VAL 87 0.387 9.942 4.012 686 2HG2 VAL 87 2HG2 VAL 87 0.823 11.129 2.759 687 3HG2 VAL 87 3HG2 VAL 87 1.848 9.699 3.024 688 H GLN 88 H GLN 88 1.578 7.937 5.206 689 HA GLN 88 HA GLN 88 3.661 7.001 3.653 690 1HB GLN 88 1HB GLN 88 4.955 7.124 5.789 691 2HB GLN 88 2HB GLN 88 3.799 6.049 6.548 692 1HG GLN 88 1HG GLN 88 4.435 4.194 5.188 693 2HG GLN 88 2HG GLN 88 5.194 5.216 3.984 694 1HE2 GLN 88 1HE2 GLN 88 7.052 3.911 4.159 695 2HE2 GLN 88 2HE2 GLN 88 8.193 4.106 5.448 696 H ILE 89 H ILE 89 3.291 4.750 2.975 697 HA ILE 89 HA ILE 89 0.517 4.063 3.233 698 HB ILE 89 HB ILE 89 2.838 3.161 1.587 699 1HG1 ILE 89 1HG1 ILE 89 0.020 3.849 0.742 700 2HG1 ILE 89 2HG1 ILE 89 1.234 5.081 1.022 701 1HG2 ILE 89 1HG2 ILE 89 0.350 1.554 2.144 702 2HG2 ILE 89 2HG2 ILE 89 1.233 1.415 0.605 703 3HG2 ILE 89 3HG2 ILE 89 2.051 1.030 2.139 704 1HD1 ILE 89 1HD1 ILE 89 1.017 4.241 -1.395 705 2HD1 ILE 89 2HD1 ILE 89 2.662 4.228 -0.716 706 3HD1 ILE 89 3HD1 ILE 89 1.733 2.713 -0.828 707 H HIS 90 H HIS 90 -0.310 2.840 4.833 708 HA HIS 90 HA HIS 90 1.560 1.249 6.383 709 1HB HIS 90 1HB HIS 90 -0.127 2.932 7.360 710 2HB HIS 90 2HB HIS 90 -1.355 1.733 7.004 711 HD1 HIS 90 HD1 HIS 90 -0.080 2.799 9.888 712 HD2 HIS 90 HD2 HIS 90 0.313 -0.955 8.058 713 HE1 HIS 90 HE1 HIS 90 0.477 1.149 11.753 714 HE2 HIS 90 HE2 HIS 90 0.653 -1.148 10.575 715 H PHE 91 H PHE 91 1.597 -0.971 6.369 716 HA PHE 91 HA PHE 91 0.008 -2.247 4.342 717 1HB PHE 91 1HB PHE 91 1.606 -4.004 4.673 718 2HB PHE 91 2HB PHE 91 2.534 -2.579 5.095 719 HD1 PHE 91 HD1 PHE 91 0.372 -5.178 6.669 720 HD2 PHE 91 HD2 PHE 91 3.646 -2.517 7.126 721 HE1 PHE 91 HE1 PHE 91 0.855 -6.160 8.928 722 HE2 PHE 91 HE2 PHE 91 4.129 -3.500 9.385 723 HZ PHE 91 HZ PHE 91 2.728 -5.309 10.259 724 H VAL 92 H VAL 92 -1.727 -3.622 4.634 725 HA VAL 92 HA VAL 92 -2.366 -4.370 7.390 726 HB VAL 92 HB VAL 92 -4.114 -2.921 5.412 727 1HG1 VAL 92 1HG1 VAL 92 -5.005 -4.536 7.824 728 2HG1 VAL 92 2HG1 VAL 92 -6.029 -3.385 6.931 729 3HG1 VAL 92 3HG1 VAL 92 -5.411 -4.843 6.119 730 1HG2 VAL 92 1HG2 VAL 92 -3.667 -1.187 6.740 731 2HG2 VAL 92 2HG2 VAL 92 -4.485 -2.035 8.074 732 3HG2 VAL 92 3HG2 VAL 92 -2.731 -2.225 7.842 733 H LYS 93 H LYS 93 -3.848 -6.255 7.500 734 HA LYS 93 HA LYS 93 -4.179 -7.714 5.025 735 1HB LYS 93 1HB LYS 93 -3.105 -9.747 6.383 736 2HB LYS 93 2HB LYS 93 -2.170 -8.723 5.312 737 1HG LYS 93 1HG LYS 93 -1.272 -7.439 7.128 738 2HG LYS 93 2HG LYS 93 -2.489 -8.013 8.251 739 1HD LYS 93 1HD LYS 93 -1.346 -10.402 7.479 740 2HD LYS 93 2HD LYS 93 0.034 -9.329 7.352 741 1HE LYS 93 1HE LYS 93 -0.872 -8.485 9.756 742 2HE LYS 93 2HE LYS 93 -1.558 -10.097 9.792 743 1HZ LYS 93 1HZ LYS 93 1.155 -9.307 10.009 744 2HZ LYS 93 2HZ LYS 93 0.446 -10.712 10.446 745 3HZ LYS 93 3HZ LYS 93 0.955 -10.497 8.909 746 H ASP 94 H ASP 94 -4.422 -7.678 8.635 747 HA ASP 94 HA ASP 94 -6.564 -9.503 8.621 748 1HB ASP 94 1HB ASP 94 -6.011 -7.499 10.834 749 2HB ASP 94 2HB ASP 94 -6.650 -9.124 10.984 750 H LYS 95 H LYS 95 -6.182 -6.106 7.978 751 HA LYS 95 HA LYS 95 -7.626 -4.522 7.429 752 1HB LYS 95 1HB LYS 95 -8.912 -6.112 6.185 753 2HB LYS 95 2HB LYS 95 -9.647 -6.765 7.635 754 1HG LYS 95 1HG LYS 95 -10.148 -3.943 7.672 755 2HG LYS 95 2HG LYS 95 -10.486 -4.485 6.040 756 1HD LYS 95 1HD LYS 95 -11.545 -6.109 8.363 757 2HD LYS 95 2HD LYS 95 -12.360 -4.618 7.936 758 1HE LYS 95 1HE LYS 95 -13.199 -5.477 5.971 759 2HE LYS 95 2HE LYS 95 -11.731 -6.360 5.606 760 1HZ LYS 95 1HZ LYS 95 -12.649 -8.164 6.433 761 2HZ LYS 95 2HZ LYS 95 -12.938 -7.455 7.876 762 3HZ LYS 95 3HZ LYS 95 -14.049 -7.360 6.682 763 H ALA 96 H ALA 96 -8.961 -6.582 10.102 764 HA ALA 96 HA ALA 96 -8.704 -4.381 11.914 765 1HB ALA 96 1HB ALA 96 -10.769 -3.532 11.648 766 2HB ALA 96 2HB ALA 96 -11.208 -4.823 10.504 767 3HB ALA 96 3HB ALA 96 -11.418 -5.075 12.253 768 H ILE 97 H ILE 97 -7.254 -6.528 12.196 769 HA ILE 97 HA ILE 97 -6.753 -8.223 13.517 770 HB ILE 97 HB ILE 97 -9.198 -7.405 15.091 771 1HG1 ILE 97 1HG1 ILE 97 -6.369 -6.569 15.698 772 2HG1 ILE 97 2HG1 ILE 97 -7.340 -5.655 14.562 773 1HG2 ILE 97 1HG2 ILE 97 -8.758 -9.213 16.311 774 2HG2 ILE 97 2HG2 ILE 97 -7.235 -9.523 15.443 775 3HG2 ILE 97 3HG2 ILE 97 -7.260 -8.398 16.822 776 1HD1 ILE 97 1HD1 ILE 97 -7.925 -6.193 17.499 777 2HD1 ILE 97 2HD1 ILE 97 -7.708 -4.622 16.691 778 3HD1 ILE 97 3HD1 ILE 97 -9.171 -5.588 16.382 779 H ASP 98 H ASP 98 -8.562 -8.497 11.137 780 HA ASP 98 HA ASP 98 -9.810 -9.973 10.142 781 1HB ASP 98 1HB ASP 98 -8.640 -11.955 12.150 782 2HB ASP 98 2HB ASP 98 -9.300 -12.354 10.577 783 H ASN 99 H ASN 99 -11.366 -8.594 11.938 784 HA ASN 99 HA ASN 99 -13.444 -10.336 12.443 785 1HB ASN 99 1HB ASN 99 -11.499 -10.452 14.496 786 2HB ASN 99 2HB ASN 99 -12.719 -9.372 15.140 787 1HD2 ASN 99 1HD2 ASN 99 -13.381 -10.826 16.683 788 2HD2 ASN 99 2HD2 ASN 99 -14.315 -12.242 16.332 789 H ALA 100 H ALA 100 -12.008 -7.648 14.451 790 HA ALA 100 HA ALA 100 -13.674 -5.681 13.207 791 1HB ALA 100 1HB ALA 100 -14.239 -6.598 16.054 792 2HB ALA 100 2HB ALA 100 -14.883 -5.108 15.323 793 3HB ALA 100 3HB ALA 100 -15.344 -6.695 14.662 794 H MET 101 H MET 101 -13.307 -3.488 14.350 795 HA MET 101 HA MET 101 -11.273 -3.209 16.194 796 1HB MET 101 1HB MET 101 -9.999 -4.090 14.078 797 2HB MET 101 2HB MET 101 -10.355 -2.535 13.353 798 1HG MET 101 1HG MET 101 -9.168 -1.366 15.191 799 2HG MET 101 2HG MET 101 -8.884 -2.889 16.010 800 1HE MET 101 1HE MET 101 -8.345 -1.828 11.995 801 2HE MET 101 2HE MET 101 -8.276 -0.566 13.249 802 3HE MET 101 3HE MET 101 -6.783 -1.096 12.437 Start of MODEL 5 1 H LYS 6 H LYS 6 -14.284 3.539 -12.528 2 HA LYS 6 HA LYS 6 -12.085 2.264 -11.214 3 1HB LYS 6 1HB LYS 6 -12.503 5.233 -11.589 4 2HB LYS 6 2HB LYS 6 -10.993 4.363 -11.407 5 1HG LYS 6 1HG LYS 6 -11.687 3.087 -13.584 6 2HG LYS 6 2HG LYS 6 -12.879 4.354 -13.793 7 1HD LYS 6 1HD LYS 6 -10.288 5.529 -13.138 8 2HD LYS 6 2HD LYS 6 -10.119 4.440 -14.500 9 1HE LYS 6 1HE LYS 6 -10.713 6.456 -15.562 10 2HE LYS 6 2HE LYS 6 -12.260 5.641 -15.448 11 1HZ LYS 6 1HZ LYS 6 -12.403 7.896 -14.679 12 2HZ LYS 6 2HZ LYS 6 -12.697 6.881 -13.435 13 3HZ LYS 6 3HZ LYS 6 -11.256 7.642 -13.544 14 H GLU 7 H GLU 7 -11.898 5.013 -9.620 15 HA GLU 7 HA GLU 7 -13.929 4.785 -7.699 16 1HB GLU 7 1HB GLU 7 -11.303 3.396 -7.170 17 2HB GLU 7 2HB GLU 7 -12.114 4.190 -5.835 18 1HG GLU 7 1HG GLU 7 -14.226 2.833 -6.985 19 2HG GLU 7 2HG GLU 7 -12.903 1.743 -7.347 20 H ARG 8 H ARG 8 -13.197 6.954 -9.141 21 HA ARG 8 HA ARG 8 -12.250 8.928 -9.158 22 1HB ARG 8 1HB ARG 8 -14.056 8.788 -7.155 23 2HB ARG 8 2HB ARG 8 -12.653 9.153 -6.171 24 1HG ARG 8 1HG ARG 8 -12.362 10.987 -8.229 25 2HG ARG 8 2HG ARG 8 -14.108 10.882 -8.109 26 1HD ARG 8 1HD ARG 8 -12.610 11.110 -5.514 27 2HD ARG 8 2HD ARG 8 -12.608 12.532 -6.538 28 HE ARG 8 HE ARG 8 -15.275 11.726 -6.520 29 1HH1 ARG 8 1HH1 ARG 8 -12.915 12.551 -4.044 30 2HH1 ARG 8 2HH1 ARG 8 -14.102 13.136 -2.927 31 1HH2 ARG 8 1HH2 ARG 8 -16.842 12.497 -5.047 32 2HH2 ARG 8 2HH2 ARG 8 -16.351 13.105 -3.501 33 H LEU 9 H LEU 9 -11.068 10.260 -6.635 34 HA LEU 9 HA LEU 9 -8.435 10.014 -7.146 35 1HB LEU 9 1HB LEU 9 -8.114 11.311 -5.334 36 2HB LEU 9 2HB LEU 9 -9.845 11.513 -5.512 37 HG LEU 9 HG LEU 9 -8.694 9.413 -3.676 38 1HD1 LEU 9 1HD1 LEU 9 -8.947 11.041 -1.820 39 2HD1 LEU 9 2HD1 LEU 9 -7.659 11.471 -2.970 40 3HD1 LEU 9 3HD1 LEU 9 -9.220 12.324 -3.023 41 1HD2 LEU 9 1HD2 LEU 9 -11.233 9.753 -4.503 42 2HD2 LEU 9 2HD2 LEU 9 -10.794 9.119 -2.899 43 3HD2 LEU 9 3HD2 LEU 9 -11.229 10.835 -3.089 44 H GLU 10 H GLU 10 -10.399 7.968 -4.909 45 HA GLU 10 HA GLU 10 -8.521 6.543 -3.696 46 1HB GLU 10 1HB GLU 10 -11.278 6.219 -4.300 47 2HB GLU 10 2HB GLU 10 -10.527 4.697 -4.732 48 1HG GLU 10 1HG GLU 10 -9.308 5.366 -2.283 49 2HG GLU 10 2HG GLU 10 -10.973 5.868 -2.066 50 H ASN 11 H ASN 11 -9.987 5.409 -6.834 51 HA ASN 11 HA ASN 11 -8.300 3.389 -7.320 52 1HB ASN 11 1HB ASN 11 -10.304 4.162 -8.722 53 2HB ASN 11 2HB ASN 11 -9.261 5.366 -9.453 54 1HD2 ASN 11 1HD2 ASN 11 -10.039 1.997 -9.162 55 2HD2 ASN 11 2HD2 ASN 11 -9.080 1.395 -10.472 56 H ASP 12 H ASP 12 -7.761 6.903 -7.645 57 HA ASP 12 HA ASP 12 -5.549 6.819 -9.298 58 1HB ASP 12 1HB ASP 12 -7.053 8.788 -8.139 59 2HB ASP 12 2HB ASP 12 -5.637 8.871 -7.110 60 H ILE 13 H ILE 13 -5.920 6.899 -5.680 61 HA ILE 13 HA ILE 13 -3.214 6.927 -5.056 62 HB ILE 13 HB ILE 13 -5.551 5.786 -3.520 63 1HG1 ILE 13 1HG1 ILE 13 -4.566 8.355 -2.622 64 2HG1 ILE 13 2HG1 ILE 13 -5.013 8.440 -4.314 65 1HG2 ILE 13 1HG2 ILE 13 -2.695 5.927 -2.926 66 2HG2 ILE 13 2HG2 ILE 13 -3.700 6.738 -1.701 67 3HG2 ILE 13 3HG2 ILE 13 -3.998 5.031 -2.110 68 1HD1 ILE 13 1HD1 ILE 13 -6.814 8.720 -2.305 69 2HD1 ILE 13 2HD1 ILE 13 -7.250 8.052 -3.896 70 3HD1 ILE 13 3HD1 ILE 13 -6.911 6.958 -2.533 71 H ILE 14 H ILE 14 -5.472 4.233 -5.805 72 HA ILE 14 HA ILE 14 -3.684 2.185 -5.100 73 HB ILE 14 HB ILE 14 -6.230 2.443 -6.599 74 1HG1 ILE 14 1HG1 ILE 14 -6.867 0.615 -5.022 75 2HG1 ILE 14 2HG1 ILE 14 -5.251 0.665 -4.347 76 1HG2 ILE 14 1HG2 ILE 14 -4.305 0.150 -6.958 77 2HG2 ILE 14 2HG2 ILE 14 -6.065 -0.063 -7.114 78 3HG2 ILE 14 3HG2 ILE 14 -5.206 1.065 -8.191 79 1HD1 ILE 14 1HD1 ILE 14 -6.599 3.316 -4.536 80 2HD1 ILE 14 2HD1 ILE 14 -7.344 2.161 -3.406 81 3HD1 ILE 14 3HD1 ILE 14 -5.636 2.621 -3.211 82 H ARG 15 H ARG 15 -4.309 3.994 -8.152 83 HA ARG 15 HA ARG 15 -2.604 2.394 -9.672 84 1HB ARG 15 1HB ARG 15 -4.290 3.777 -10.766 85 2HB ARG 15 2HB ARG 15 -3.651 5.239 -10.040 86 1HG ARG 15 1HG ARG 15 -1.570 5.042 -11.341 87 2HG ARG 15 2HG ARG 15 -2.064 3.483 -11.970 88 1HD ARG 15 1HD ARG 15 -4.190 4.794 -12.856 89 2HD ARG 15 2HD ARG 15 -3.201 6.221 -12.616 90 HE ARG 15 HE ARG 15 -2.778 4.108 -14.627 91 1HH1 ARG 15 1HH1 ARG 15 -1.385 6.863 -12.938 92 2HH1 ARG 15 2HH1 ARG 15 -0.180 7.157 -14.147 93 1HH2 ARG 15 1HH2 ARG 15 -1.189 4.496 -16.222 94 2HH2 ARG 15 2HH2 ARG 15 -0.068 5.802 -16.028 95 H LEU 16 H LEU 16 -2.084 4.926 -7.325 96 HA LEU 16 HA LEU 16 0.339 5.951 -8.334 97 1HB LEU 16 1HB LEU 16 -1.347 6.237 -5.991 98 2HB LEU 16 2HB LEU 16 0.351 6.237 -5.557 99 HG LEU 16 HG LEU 16 0.767 8.075 -7.149 100 1HD1 LEU 16 1HD1 LEU 16 -1.073 7.496 -8.726 101 2HD1 LEU 16 2HD1 LEU 16 -2.233 8.166 -7.553 102 3HD1 LEU 16 3HD1 LEU 16 -1.004 9.221 -8.292 103 1HD2 LEU 16 1HD2 LEU 16 0.292 8.576 -4.807 104 2HD2 LEU 16 2HD2 LEU 16 -0.348 9.846 -5.879 105 3HD2 LEU 16 3HD2 LEU 16 -1.451 8.646 -5.164 106 H ILE 17 H ILE 17 -0.235 3.734 -5.506 107 HA ILE 17 HA ILE 17 2.420 3.003 -5.240 108 HB ILE 17 HB ILE 17 -0.208 1.965 -4.347 109 1HG1 ILE 17 1HG1 ILE 17 0.939 3.701 -3.083 110 2HG1 ILE 17 2HG1 ILE 17 0.820 2.226 -2.144 111 1HG2 ILE 17 1HG2 ILE 17 0.726 -0.126 -4.978 112 2HG2 ILE 17 2HG2 ILE 17 2.320 0.305 -4.312 113 3HG2 ILE 17 3HG2 ILE 17 0.943 0.030 -3.218 114 1HD1 ILE 17 1HD1 ILE 17 3.267 2.105 -3.667 115 2HD1 ILE 17 2HD1 ILE 17 3.187 3.683 -2.849 116 3HD1 ILE 17 3HD1 ILE 17 3.067 2.182 -1.900 117 H ASN 18 H ASN 18 -0.012 2.059 -7.597 118 HA ASN 18 HA ASN 18 1.219 -0.366 -8.303 119 1HB ASN 18 1HB ASN 18 -1.159 0.120 -8.835 120 2HB ASN 18 2HB ASN 18 -0.686 1.476 -9.841 121 1HD2 ASN 18 1HD2 ASN 18 -1.877 0.417 -11.510 122 2HD2 ASN 18 2HD2 ASN 18 -1.163 -0.846 -12.457 123 H ARG 19 H ARG 19 1.407 3.074 -9.336 124 HA ARG 19 HA ARG 19 2.863 2.609 -11.659 125 1HB ARG 19 1HB ARG 19 1.846 4.866 -10.180 126 2HB ARG 19 2HB ARG 19 3.539 5.182 -10.502 127 1HG ARG 19 1HG ARG 19 1.602 4.257 -12.670 128 2HG ARG 19 2HG ARG 19 1.878 5.950 -12.312 129 1HD ARG 19 1HD ARG 19 4.358 4.327 -12.698 130 2HD ARG 19 2HD ARG 19 3.356 4.496 -14.126 131 HE ARG 19 HE ARG 19 5.008 6.537 -13.014 132 1HH1 ARG 19 1HH1 ARG 19 1.762 6.148 -14.315 133 2HH1 ARG 19 2HH1 ARG 19 1.644 7.789 -14.856 134 1HH2 ARG 19 1HH2 ARG 19 4.853 8.703 -13.727 135 2HH2 ARG 19 2HH2 ARG 19 3.414 9.252 -14.519 136 H THR 20 H THR 20 3.692 2.619 -8.253 137 HA THR 20 HA THR 20 6.466 3.237 -8.605 138 HB THR 20 HB THR 20 4.537 2.927 -6.476 139 HG1 THR 20 HG1 THR 20 5.943 4.616 -6.181 140 1HG2 THR 20 1HG2 THR 20 6.157 1.850 -4.825 141 2HG2 THR 20 2HG2 THR 20 5.441 0.699 -5.979 142 3HG2 THR 20 3HG2 THR 20 7.106 1.280 -6.219 143 H VAL 21 H VAL 21 4.658 0.189 -7.819 144 HA VAL 21 HA VAL 21 6.820 -1.491 -7.864 145 HB VAL 21 HB VAL 21 3.991 -2.012 -8.800 146 1HG1 VAL 21 1HG1 VAL 21 6.308 -3.817 -8.164 147 2HG1 VAL 21 2HG1 VAL 21 4.648 -4.357 -7.813 148 3HG1 VAL 21 3HG1 VAL 21 5.110 -3.921 -9.476 149 1HG2 VAL 21 1HG2 VAL 21 3.393 -2.462 -6.578 150 2HG2 VAL 21 2HG2 VAL 21 5.088 -2.573 -6.043 151 3HG2 VAL 21 3HG2 VAL 21 4.388 -0.990 -6.461 152 H ILE 22 H ILE 22 5.012 -0.009 -10.562 153 HA ILE 22 HA ILE 22 5.180 -0.940 -12.777 154 HB ILE 22 HB ILE 22 6.917 1.307 -11.901 155 1HG1 ILE 22 1HG1 ILE 22 4.407 1.415 -12.296 156 2HG1 ILE 22 2HG1 ILE 22 5.386 2.636 -13.084 157 1HG2 ILE 22 1HG2 ILE 22 7.206 -0.137 -14.504 158 2HG2 ILE 22 2HG2 ILE 22 7.308 1.640 -14.486 159 3HG2 ILE 22 3HG2 ILE 22 8.431 0.674 -13.499 160 1HD1 ILE 22 1HD1 ILE 22 3.562 0.840 -14.313 161 2HD1 ILE 22 2HD1 ILE 22 4.669 1.972 -15.126 162 3HD1 ILE 22 3HD1 ILE 22 5.184 0.299 -14.807 163 H HIS 23 H HIS 23 8.592 -0.432 -11.646 164 HA HIS 23 HA HIS 23 9.134 -3.189 -12.391 165 1HB HIS 23 1HB HIS 23 9.665 -2.111 -14.423 166 2HB HIS 23 2HB HIS 23 10.418 -0.751 -13.615 167 HD1 HIS 23 HD1 HIS 23 11.026 -4.527 -13.957 168 HD2 HIS 23 HD2 HIS 23 13.141 -0.931 -13.520 169 HE1 HIS 23 HE1 HIS 23 13.501 -5.131 -14.104 170 HE2 HIS 23 HE2 HIS 23 14.748 -2.874 -13.883 171 H GLU 24 H GLU 24 8.946 -1.188 -9.959 172 HA GLU 24 HA GLU 24 11.661 -1.479 -9.007 173 1HB GLU 24 1HB GLU 24 9.605 0.466 -8.645 174 2HB GLU 24 2HB GLU 24 9.847 -0.280 -7.078 175 1HG GLU 24 1HG GLU 24 11.918 1.118 -8.816 176 2HG GLU 24 2HG GLU 24 11.406 1.552 -7.197 177 H ILE 25 H ILE 25 10.954 -1.572 -6.164 178 HA ILE 25 HA ILE 25 10.633 -3.062 -4.569 179 HB ILE 25 HB ILE 25 8.463 -4.271 -6.272 180 1HG1 ILE 25 1HG1 ILE 25 8.532 -1.648 -6.045 181 2HG1 ILE 25 2HG1 ILE 25 7.029 -2.534 -5.884 182 1HG2 ILE 25 1HG2 ILE 25 8.742 -5.565 -4.343 183 2HG2 ILE 25 2HG2 ILE 25 9.036 -4.143 -3.315 184 3HG2 ILE 25 3HG2 ILE 25 7.403 -4.463 -3.945 185 1HD1 ILE 25 1HD1 ILE 25 8.805 -1.548 -3.606 186 2HD1 ILE 25 2HD1 ILE 25 7.192 -0.938 -4.046 187 3HD1 ILE 25 3HD1 ILE 25 7.371 -2.578 -3.379 188 H TYR 26 H TYR 26 12.699 -4.021 -4.774 189 HA TYR 26 HA TYR 26 13.754 -5.672 -6.505 190 1HB TYR 26 1HB TYR 26 13.484 -5.694 -3.474 191 2HB TYR 26 2HB TYR 26 14.319 -7.053 -4.200 192 HD1 TYR 26 HD1 TYR 26 14.501 -3.506 -3.368 193 HD2 TYR 26 HD2 TYR 26 16.450 -6.704 -5.437 194 HE1 TYR 26 HE1 TYR 26 16.648 -2.148 -3.460 195 HE2 TYR 26 HE2 TYR 26 18.590 -5.334 -5.523 196 HH TYR 26 HH TYR 26 19.291 -3.086 -5.428 197 H ASN 27 H ASN 27 13.245 -7.489 -7.618 198 HA ASN 27 HA ASN 27 12.345 -9.386 -8.161 199 1HB ASN 27 1HB ASN 27 13.016 -9.836 -5.550 200 2HB ASN 27 2HB ASN 27 11.280 -10.040 -5.418 201 1HD2 ASN 27 1HD2 ASN 27 10.740 -12.073 -5.472 202 2HD2 ASN 27 2HD2 ASN 27 11.385 -13.311 -6.498 203 H GLU 28 H GLU 28 10.771 -6.924 -8.189 204 HA GLU 28 HA GLU 28 8.619 -6.235 -7.541 205 1HB GLU 28 1HB GLU 28 8.774 -7.852 -10.101 206 2HB GLU 28 2HB GLU 28 7.289 -7.032 -9.661 207 1HG GLU 28 1HG GLU 28 8.324 -4.869 -9.720 208 2HG GLU 28 2HG GLU 28 9.940 -5.544 -9.668 209 H THR 29 H THR 29 8.307 -7.561 -5.513 210 HA THR 29 HA THR 29 6.802 -10.020 -5.892 211 HB THR 29 HB THR 29 8.405 -8.682 -3.776 212 HG1 THR 29 HG1 THR 29 9.025 -10.693 -4.710 213 1HG2 THR 29 1HG2 THR 29 6.303 -8.613 -2.525 214 2HG2 THR 29 2HG2 THR 29 5.840 -10.223 -3.127 215 3HG2 THR 29 3HG2 THR 29 7.196 -10.055 -1.986 216 H VAL 30 H VAL 30 6.299 -6.993 -3.949 217 HA VAL 30 HA VAL 30 3.691 -7.348 -3.360 218 HB VAL 30 HB VAL 30 3.552 -4.979 -3.099 219 1HG1 VAL 30 1HG1 VAL 30 5.149 -6.359 -1.652 220 2HG1 VAL 30 2HG1 VAL 30 6.465 -5.630 -2.603 221 3HG1 VAL 30 3HG1 VAL 30 5.377 -4.594 -1.648 222 1HG2 VAL 30 1HG2 VAL 30 5.835 -4.890 -5.078 223 2HG2 VAL 30 2HG2 VAL 30 4.259 -4.065 -5.148 224 3HG2 VAL 30 3HG2 VAL 30 5.490 -3.533 -3.978 225 H LYS 31 H LYS 31 5.120 -6.748 -6.521 226 HA LYS 31 HA LYS 31 3.104 -5.591 -7.914 227 1HB LYS 31 1HB LYS 31 5.173 -6.016 -8.981 228 2HB LYS 31 2HB LYS 31 5.087 -7.738 -8.672 229 1HG LYS 31 1HG LYS 31 4.481 -7.487 -10.973 230 2HG LYS 31 2HG LYS 31 2.972 -7.785 -10.134 231 1HD LYS 31 1HD LYS 31 2.134 -5.782 -10.793 232 2HD LYS 31 2HD LYS 31 3.511 -4.929 -10.122 233 1HE LYS 31 1HE LYS 31 4.791 -5.737 -12.270 234 2HE LYS 31 2HE LYS 31 3.200 -6.082 -12.918 235 1HZ LYS 31 1HZ LYS 31 2.617 -3.764 -12.376 236 2HZ LYS 31 2HZ LYS 31 4.173 -3.480 -11.968 237 3HZ LYS 31 3HZ LYS 31 3.793 -3.890 -13.502 238 H THR 32 H THR 32 3.122 -8.723 -6.334 239 HA THR 32 HA THR 32 0.824 -9.649 -7.852 240 HB THR 32 HB THR 32 2.538 -11.291 -7.300 241 HG1 THR 32 HG1 THR 32 0.306 -11.970 -6.987 242 1HG2 THR 32 1HG2 THR 32 2.293 -11.499 -4.451 243 2HG2 THR 32 2HG2 THR 32 3.760 -11.105 -5.379 244 3HG2 THR 32 3HG2 THR 32 2.694 -9.801 -4.804 245 H GLY 33 H GLY 33 1.629 -8.300 -4.634 246 1HA GLY 33 1HA GLY 33 -0.436 -8.750 -3.063 247 2HA GLY 33 2HA GLY 33 0.200 -7.132 -3.282 248 H HIS 34 H HIS 34 -0.873 -5.622 -4.702 249 HA HIS 34 HA HIS 34 -2.569 -4.712 -5.761 250 1HB HIS 34 1HB HIS 34 -2.953 -7.573 -6.482 251 2HB HIS 34 2HB HIS 34 -4.331 -6.517 -6.722 252 HD1 HIS 34 HD1 HIS 34 -3.461 -7.475 -9.293 253 HD2 HIS 34 HD2 HIS 34 -1.429 -4.294 -7.462 254 HE1 HIS 34 HE1 HIS 34 -2.214 -6.256 -11.156 255 HE2 HIS 34 HE2 HIS 34 -1.029 -4.280 -9.979 256 H VAL 35 H VAL 35 -3.596 -3.591 -4.144 257 HA VAL 35 HA VAL 35 -5.081 -4.948 -2.129 258 HB VAL 35 HB VAL 35 -4.808 -2.040 -2.906 259 1HG1 VAL 35 1HG1 VAL 35 -6.412 -3.384 -0.763 260 2HG1 VAL 35 2HG1 VAL 35 -5.610 -1.841 -0.385 261 3HG1 VAL 35 3HG1 VAL 35 -6.778 -1.933 -1.726 262 1HG2 VAL 35 1HG2 VAL 35 -3.045 -3.836 -1.592 263 2HG2 VAL 35 2HG2 VAL 35 -2.873 -2.077 -1.801 264 3HG2 VAL 35 3HG2 VAL 35 -3.679 -2.726 -0.353 265 H THR 36 H THR 36 -7.400 -4.765 -1.752 266 HA THR 36 HA THR 36 -8.919 -4.178 -4.203 267 HB THR 36 HB THR 36 -8.964 -6.525 -4.256 268 HG1 THR 36 HG1 THR 36 -11.136 -5.607 -3.803 269 1HG2 THR 36 1HG2 THR 36 -8.879 -7.983 -2.320 270 2HG2 THR 36 2HG2 THR 36 -7.626 -6.747 -2.056 271 3HG2 THR 36 3HG2 THR 36 -9.187 -6.627 -1.209 272 H HIS 37 H HIS 37 -8.222 -3.017 -1.286 273 HA HIS 37 HA HIS 37 -10.913 -1.986 -0.993 274 1HB HIS 37 1HB HIS 37 -9.668 -3.874 0.863 275 2HB HIS 37 2HB HIS 37 -10.132 -2.378 1.650 276 HD1 HIS 37 HD1 HIS 37 -12.755 -1.655 1.286 277 HD2 HIS 37 HD2 HIS 37 -11.739 -5.633 0.428 278 HE1 HIS 37 HE1 HIS 37 -14.946 -2.963 1.261 279 HE2 HIS 37 HE2 HIS 37 -14.263 -5.389 0.675 280 H VAL 38 H VAL 38 -8.049 -1.892 1.208 281 HA VAL 38 HA VAL 38 -6.764 -0.224 1.874 282 HB VAL 38 HB VAL 38 -6.747 -0.160 -0.899 283 1HG1 VAL 38 1HG1 VAL 38 -6.994 2.686 0.133 284 2HG1 VAL 38 2HG1 VAL 38 -6.606 2.188 -1.531 285 3HG1 VAL 38 3HG1 VAL 38 -8.212 1.837 -0.849 286 1HG2 VAL 38 1HG2 VAL 38 -5.023 0.548 1.328 287 2HG2 VAL 38 2HG2 VAL 38 -4.607 -0.139 -0.261 288 3HG2 VAL 38 3HG2 VAL 38 -4.752 1.624 -0.064 289 H LYS 39 H LYS 39 -6.997 1.609 3.154 290 HA LYS 39 HA LYS 39 -9.450 3.154 2.718 291 1HB LYS 39 1HB LYS 39 -10.056 3.048 4.998 292 2HB LYS 39 2HB LYS 39 -9.728 1.398 4.511 293 1HG LYS 39 1HG LYS 39 -7.846 1.225 5.838 294 2HG LYS 39 2HG LYS 39 -7.362 2.886 5.559 295 1HD LYS 39 1HD LYS 39 -9.798 2.217 7.257 296 2HD LYS 39 2HD LYS 39 -8.188 2.240 7.948 297 1HE LYS 39 1HE LYS 39 -7.903 4.570 7.540 298 2HE LYS 39 2HE LYS 39 -9.168 4.612 6.328 299 1HZ LYS 39 1HZ LYS 39 -9.770 5.518 8.538 300 2HZ LYS 39 2HZ LYS 39 -10.792 4.370 7.986 301 3HZ LYS 39 3HZ LYS 39 -9.704 4.004 9.148 302 H LEU 40 H LEU 40 -9.296 5.376 3.200 303 HA LEU 40 HA LEU 40 -6.535 6.255 3.669 304 1HB LEU 40 1HB LEU 40 -8.722 7.193 1.893 305 2HB LEU 40 2HB LEU 40 -7.715 8.425 2.629 306 HG LEU 40 HG LEU 40 -7.140 7.398 0.272 307 1HD1 LEU 40 1HD1 LEU 40 -5.856 9.043 1.898 308 2HD1 LEU 40 2HD1 LEU 40 -4.749 7.657 2.044 309 3HD1 LEU 40 3HD1 LEU 40 -5.079 8.368 0.446 310 1HD2 LEU 40 1HD2 LEU 40 -7.103 5.055 1.241 311 2HD2 LEU 40 2HD2 LEU 40 -5.700 5.525 0.251 312 3HD2 LEU 40 3HD2 LEU 40 -5.569 5.504 2.026 313 H SER 41 H SER 41 -6.249 8.224 4.984 314 HA SER 41 HA SER 41 -8.495 9.023 6.551 315 1HB SER 41 1HB SER 41 -6.753 6.953 7.530 316 2HB SER 41 2HB SER 41 -6.438 8.394 8.476 317 HG SER 41 HG SER 41 -9.092 7.342 7.985 318 H ASP 42 H ASP 42 -7.822 10.856 8.101 319 HA ASP 42 HA ASP 42 -6.816 12.735 8.501 320 1HB ASP 42 1HB ASP 42 -4.534 11.017 7.634 321 2HB ASP 42 2HB ASP 42 -4.232 12.739 7.520 322 H ASP 43 H ASP 43 -4.621 12.130 5.718 323 HA ASP 43 HA ASP 43 -6.287 13.335 3.811 324 1HB ASP 43 1HB ASP 43 -4.155 15.005 5.176 325 2HB ASP 43 2HB ASP 43 -4.520 15.292 3.486 326 H LEU 44 H LEU 44 -5.166 10.974 3.476 327 HA LEU 44 HA LEU 44 -3.922 9.841 2.019 328 1HB LEU 44 1HB LEU 44 -2.320 12.305 1.372 329 2HB LEU 44 2HB LEU 44 -2.545 10.863 0.402 330 HG LEU 44 HG LEU 44 -5.083 12.184 0.985 331 1HD1 LEU 44 1HD1 LEU 44 -4.668 14.124 -0.542 332 2HD1 LEU 44 2HD1 LEU 44 -3.853 14.232 1.037 333 3HD1 LEU 44 3HD1 LEU 44 -2.926 13.782 -0.414 334 1HD2 LEU 44 1HD2 LEU 44 -4.844 12.182 -1.706 335 2HD2 LEU 44 2HD2 LEU 44 -3.660 10.921 -1.283 336 3HD2 LEU 44 3HD2 LEU 44 -5.352 10.769 -0.749 337 H LEU 45 H LEU 45 -3.036 11.363 4.837 338 HA LEU 45 HA LEU 45 -0.274 10.585 4.865 339 1HB LEU 45 1HB LEU 45 -1.995 11.421 7.194 340 2HB LEU 45 2HB LEU 45 -0.247 11.461 7.076 341 HG LEU 45 HG LEU 45 -1.951 13.109 5.215 342 1HD1 LEU 45 1HD1 LEU 45 -2.355 13.394 7.838 343 2HD1 LEU 45 2HD1 LEU 45 -0.888 14.390 7.683 344 3HD1 LEU 45 3HD1 LEU 45 -2.331 14.773 6.713 345 1HD2 LEU 45 1HD2 LEU 45 0.148 13.341 4.404 346 2HD2 LEU 45 2HD2 LEU 45 0.256 14.568 5.688 347 3HD2 LEU 45 3HD2 LEU 45 0.918 12.938 5.958 348 H HIS 46 H HIS 46 -3.432 9.246 5.810 349 HA HIS 46 HA HIS 46 -2.005 6.928 6.890 350 1HB HIS 46 1HB HIS 46 -4.763 8.027 7.473 351 2HB HIS 46 2HB HIS 46 -4.250 6.427 7.973 352 HD1 HIS 46 HD1 HIS 46 -3.992 6.665 10.463 353 HD2 HIS 46 HD2 HIS 46 -2.115 9.769 8.356 354 HE1 HIS 46 HE1 HIS 46 -2.722 8.040 12.197 355 HE2 HIS 46 HE2 HIS 46 -1.545 9.900 10.836 356 H VAL 47 H VAL 47 -1.863 5.255 5.490 357 HA VAL 47 HA VAL 47 -4.194 4.755 3.787 358 HB VAL 47 HB VAL 47 -1.299 4.974 2.976 359 1HG1 VAL 47 1HG1 VAL 47 -3.559 3.641 1.447 360 2HG1 VAL 47 2HG1 VAL 47 -1.965 4.052 0.771 361 3HG1 VAL 47 3HG1 VAL 47 -2.093 2.857 2.083 362 1HG2 VAL 47 1HG2 VAL 47 -3.145 6.893 2.931 363 2HG2 VAL 47 2HG2 VAL 47 -1.937 6.719 1.635 364 3HG2 VAL 47 3HG2 VAL 47 -3.586 6.090 1.405 365 H THR 48 H THR 48 -4.995 2.872 4.577 366 HA THR 48 HA THR 48 -3.077 0.874 5.533 367 HB THR 48 HB THR 48 -5.934 1.639 6.093 368 HG1 THR 48 HG1 THR 48 -4.988 1.046 8.228 369 1HG2 THR 48 1HG2 THR 48 -4.870 -1.128 6.800 370 2HG2 THR 48 2HG2 THR 48 -6.531 -0.510 6.968 371 3HG2 THR 48 3HG2 THR 48 -5.877 -0.876 5.353 372 H VAL 49 H VAL 49 -2.302 -0.405 3.961 373 HA VAL 49 HA VAL 49 -4.107 -1.141 1.799 374 HB VAL 49 HB VAL 49 -2.067 -2.047 0.771 375 1HG1 VAL 49 1HG1 VAL 49 -2.830 0.528 0.896 376 2HG1 VAL 49 2HG1 VAL 49 -1.209 0.677 1.616 377 3HG1 VAL 49 3HG1 VAL 49 -1.399 -0.015 -0.012 378 1HG2 VAL 49 1HG2 VAL 49 -0.025 -0.890 2.354 379 2HG2 VAL 49 2HG2 VAL 49 -1.049 -1.838 3.459 380 3HG2 VAL 49 3HG2 VAL 49 -0.319 -2.616 2.034 381 H TYR 50 H TYR 50 -5.335 -2.933 1.998 382 HA TYR 50 HA TYR 50 -4.770 -4.827 4.067 383 1HB TYR 50 1HB TYR 50 -6.747 -4.496 1.737 384 2HB TYR 50 2HB TYR 50 -6.813 -5.909 2.771 385 HD1 TYR 50 HD1 TYR 50 -6.364 -2.241 3.466 386 HD2 TYR 50 HD2 TYR 50 -8.636 -5.793 4.195 387 HE1 TYR 50 HE1 TYR 50 -7.829 -0.975 5.114 388 HE2 TYR 50 HE2 TYR 50 -10.092 -4.515 5.841 389 HH TYR 50 HH TYR 50 -9.503 -1.063 6.466 390 H LEU 51 H LEU 51 -4.332 -4.604 0.525 391 HA LEU 51 HA LEU 51 -3.290 -5.905 -0.920 392 1HB LEU 51 1HB LEU 51 -1.943 -6.691 1.633 393 2HB LEU 51 2HB LEU 51 -1.584 -7.578 0.165 394 HG LEU 51 HG LEU 51 -1.285 -4.577 0.461 395 1HD1 LEU 51 1HD1 LEU 51 1.183 -6.092 0.174 396 2HD1 LEU 51 2HD1 LEU 51 0.739 -4.831 1.350 397 3HD1 LEU 51 3HD1 LEU 51 0.294 -6.528 1.654 398 1HD2 LEU 51 1HD2 LEU 51 0.213 -6.003 -1.634 399 2HD2 LEU 51 2HD2 LEU 51 -1.554 -6.003 -1.850 400 3HD2 LEU 51 3HD2 LEU 51 -0.676 -4.462 -1.694 401 H ASP 52 H ASP 52 -3.899 -7.667 -2.129 402 HA ASP 52 HA ASP 52 -5.462 -9.642 -0.659 403 1HB ASP 52 1HB ASP 52 -7.013 -8.628 -2.103 404 2HB ASP 52 2HB ASP 52 -5.814 -8.311 -3.340 405 H CYS 53 H CYS 53 -2.738 -8.920 -2.722 406 HA CYS 53 HA CYS 53 -1.418 -10.161 -4.025 407 1HB CYS 53 1HB CYS 53 -0.550 -10.490 -1.740 408 2HB CYS 53 2HB CYS 53 -1.541 -11.923 -1.554 409 HG CYS 53 HG CYS 53 -0.283 -12.308 -4.313 410 H TYR 54 H TYR 54 -1.968 -13.298 -2.761 411 HA TYR 54 HA TYR 54 -3.806 -13.921 -4.974 412 1HB TYR 54 1HB TYR 54 -1.170 -14.993 -3.968 413 2HB TYR 54 2HB TYR 54 -2.342 -16.227 -4.386 414 HD1 TYR 54 HD1 TYR 54 -1.521 -12.925 -5.977 415 HD2 TYR 54 HD2 TYR 54 -1.728 -17.176 -6.415 416 HE1 TYR 54 HE1 TYR 54 -0.880 -12.711 -8.428 417 HE2 TYR 54 HE2 TYR 54 -1.085 -16.947 -8.865 418 HH TYR 54 HH TYR 54 0.379 -14.671 -10.137 419 H ASN 55 H ASN 55 -5.355 -13.394 -3.039 420 HA ASN 55 HA ASN 55 -6.978 -14.336 -1.893 421 1HB ASN 55 1HB ASN 55 -5.703 -16.681 -2.885 422 2HB ASN 55 2HB ASN 55 -5.827 -16.941 -1.156 423 1HD2 ASN 55 1HD2 ASN 55 -7.199 -18.592 -2.677 424 2HD2 ASN 55 2HD2 ASN 55 -8.903 -18.281 -2.653 425 H ARG 56 H ARG 56 -4.195 -16.291 -0.608 426 HA ARG 56 HA ARG 56 -3.401 -14.540 1.332 427 1HB ARG 56 1HB ARG 56 -4.471 -15.356 3.373 428 2HB ARG 56 2HB ARG 56 -5.734 -14.903 2.246 429 1HG ARG 56 1HG ARG 56 -5.078 -17.650 1.710 430 2HG ARG 56 2HG ARG 56 -5.230 -17.491 3.449 431 1HD ARG 56 1HD ARG 56 -7.373 -15.997 2.158 432 2HD ARG 56 2HD ARG 56 -7.339 -17.629 1.520 433 HE ARG 56 HE ARG 56 -7.087 -18.033 4.244 434 1HH1 ARG 56 1HH1 ARG 56 -9.383 -16.252 2.259 435 2HH1 ARG 56 2HH1 ARG 56 -10.700 -16.469 3.363 436 1HH2 ARG 56 1HH2 ARG 56 -8.824 -18.319 5.700 437 2HH2 ARG 56 2HH2 ARG 56 -10.380 -17.652 5.334 438 H GLU 57 H GLU 57 -1.847 -15.997 -0.214 439 HA GLU 57 HA GLU 57 -0.706 -17.899 1.593 440 1HB GLU 57 1HB GLU 57 -0.691 -19.783 0.072 441 2HB GLU 57 2HB GLU 57 -2.350 -19.246 0.240 442 1HG GLU 57 1HG GLU 57 -2.510 -18.724 -1.969 443 2HG GLU 57 2HG GLU 57 -1.015 -17.810 -1.939 444 H GLN 58 H GLN 58 -0.321 -15.227 -0.047 445 HA GLN 58 HA GLN 58 2.407 -15.887 -0.740 446 1HB GLN 58 1HB GLN 58 0.314 -14.872 -2.633 447 2HB GLN 58 2HB GLN 58 1.907 -14.154 -2.766 448 1HG GLN 58 1HG GLN 58 2.352 -16.956 -2.493 449 2HG GLN 58 2HG GLN 58 1.011 -16.801 -3.610 450 1HE2 GLN 58 1HE2 GLN 58 1.975 -17.274 -5.479 451 2HE2 GLN 58 2HE2 GLN 58 3.270 -16.382 -6.207 452 H ILE 59 H ILE 59 -0.135 -13.651 0.259 453 HA ILE 59 HA ILE 59 0.980 -11.219 0.181 454 HB ILE 59 HB ILE 59 -1.153 -12.349 1.415 455 1HG1 ILE 59 1HG1 ILE 59 -1.169 -9.817 2.472 456 2HG1 ILE 59 2HG1 ILE 59 -0.005 -9.643 1.173 457 1HG2 ILE 59 1HG2 ILE 59 0.673 -11.369 3.626 458 2HG2 ILE 59 2HG2 ILE 59 -1.055 -11.757 3.801 459 3HG2 ILE 59 3HG2 ILE 59 0.106 -13.037 3.375 460 1HD1 ILE 59 1HD1 ILE 59 -2.860 -9.769 0.973 461 2HD1 ILE 59 2HD1 ILE 59 -1.677 -9.610 -0.348 462 3HD1 ILE 59 3HD1 ILE 59 -2.208 -11.224 0.183 463 H ASP 60 H ASP 60 1.751 -13.806 2.591 464 HA ASP 60 HA ASP 60 3.314 -12.591 4.298 465 1HB ASP 60 1HB ASP 60 3.249 -15.242 3.074 466 2HB ASP 60 2HB ASP 60 4.903 -14.812 3.462 467 H ARG 61 H ARG 61 4.146 -13.397 0.880 468 HA ARG 61 HA ARG 61 6.801 -12.434 1.174 469 1HB ARG 61 1HB ARG 61 5.261 -13.039 -1.398 470 2HB ARG 61 2HB ARG 61 7.002 -12.928 -1.236 471 1HG ARG 61 1HG ARG 61 5.485 -14.906 0.484 472 2HG ARG 61 2HG ARG 61 5.794 -15.299 -1.196 473 1HD ARG 61 1HD ARG 61 8.123 -14.272 0.413 474 2HD ARG 61 2HD ARG 61 7.555 -15.888 0.781 475 HE ARG 61 HE ARG 61 7.869 -15.446 -2.089 476 1HH1 ARG 61 1HH1 ARG 61 9.564 -16.315 0.870 477 2HH1 ARG 61 2HH1 ARG 61 10.829 -17.165 0.047 478 1HH2 ARG 61 1HH2 ARG 61 9.537 -16.569 -3.175 479 2HH2 ARG 61 2HH2 ARG 61 10.813 -17.311 -2.270 480 H VAL 62 H VAL 62 3.668 -11.302 -0.193 481 HA VAL 62 HA VAL 62 4.681 -9.000 -1.439 482 HB VAL 62 HB VAL 62 1.928 -9.572 -0.325 483 1HG1 VAL 62 1HG1 VAL 62 2.996 -7.219 -1.496 484 2HG1 VAL 62 2HG1 VAL 62 1.943 -7.973 -2.716 485 3HG1 VAL 62 3HG1 VAL 62 1.298 -7.581 -1.104 486 1HG2 VAL 62 1HG2 VAL 62 2.216 -11.329 -1.792 487 2HG2 VAL 62 2HG2 VAL 62 1.581 -10.081 -2.891 488 3HG2 VAL 62 3HG2 VAL 62 3.328 -10.418 -2.841 489 H VAL 63 H VAL 63 2.799 -9.308 1.663 490 HA VAL 63 HA VAL 63 3.147 -6.739 2.521 491 HB VAL 63 HB VAL 63 2.984 -9.327 4.073 492 1HG1 VAL 63 1HG1 VAL 63 2.610 -8.165 6.051 493 2HG1 VAL 63 2HG1 VAL 63 3.905 -7.209 5.292 494 3HG1 VAL 63 3HG1 VAL 63 2.218 -6.646 5.210 495 1HG2 VAL 63 1HG2 VAL 63 1.119 -8.546 2.428 496 2HG2 VAL 63 2HG2 VAL 63 0.669 -9.078 4.066 497 3HG2 VAL 63 3HG2 VAL 63 0.752 -7.341 3.685 498 H GLY 64 H GLY 64 5.342 -9.579 2.941 499 1HA GLY 64 1HA GLY 64 7.228 -8.402 4.602 500 2HA GLY 64 2HA GLY 64 7.525 -9.695 3.457 501 H ALA 65 H ALA 65 6.722 -8.145 1.053 502 HA ALA 65 HA ALA 65 9.236 -6.843 0.632 503 1HB ALA 65 1HB ALA 65 8.344 -8.154 -1.158 504 2HB ALA 65 2HB ALA 65 6.762 -7.344 -1.058 505 3HB ALA 65 3HB ALA 65 8.181 -6.455 -1.662 506 H PHE 66 H PHE 66 5.793 -5.901 1.086 507 HA PHE 66 HA PHE 66 6.006 -3.245 0.391 508 1HB PHE 66 1HB PHE 66 4.339 -5.036 2.143 509 2HB PHE 66 2HB PHE 66 4.225 -3.334 2.542 510 HD1 PHE 66 HD1 PHE 66 3.703 -5.801 -0.157 511 HD2 PHE 66 HD2 PHE 66 2.989 -1.836 1.176 512 HE1 PHE 66 HE1 PHE 66 2.035 -5.479 -2.005 513 HE2 PHE 66 HE2 PHE 66 1.322 -1.514 -0.672 514 HZ PHE 66 HZ PHE 66 0.865 -3.339 -2.240 515 H ASN 67 H ASN 67 7.280 -4.962 3.188 516 HA ASN 67 HA ASN 67 7.362 -2.840 4.960 517 1HB ASN 67 1HB ASN 67 8.214 -5.544 4.896 518 2HB ASN 67 2HB ASN 67 9.693 -4.640 5.155 519 1HD2 ASN 67 1HD2 ASN 67 10.046 -5.135 7.236 520 2HD2 ASN 67 2HD2 ASN 67 9.030 -4.679 8.562 521 H GLN 68 H GLN 68 9.926 -4.263 2.784 522 HA GLN 68 HA GLN 68 11.669 -2.086 3.283 523 1HB GLN 68 1HB GLN 68 11.742 -4.459 1.386 524 2HB GLN 68 2HB GLN 68 12.991 -3.231 1.363 525 1HG GLN 68 1HG GLN 68 12.574 -3.951 4.115 526 2HG GLN 68 2HG GLN 68 12.671 -5.445 3.204 527 1HE2 GLN 68 1HE2 GLN 68 14.605 -6.252 3.030 528 2HE2 GLN 68 2HE2 GLN 68 16.108 -5.393 2.962 529 H ALA 69 H ALA 69 9.118 -2.848 0.983 530 HA ALA 69 HA ALA 69 10.012 -0.994 -1.008 531 1HB ALA 69 1HB ALA 69 8.739 -2.667 -1.958 532 2HB ALA 69 2HB ALA 69 7.671 -2.809 -0.541 533 3HB ALA 69 3HB ALA 69 7.463 -1.456 -1.679 534 H LYS 70 H LYS 70 8.669 -0.701 2.103 535 HA LYS 70 HA LYS 70 6.747 1.246 1.825 536 1HB LYS 70 1HB LYS 70 7.363 -0.002 3.904 537 2HB LYS 70 2HB LYS 70 8.788 1.005 4.054 538 1HG LYS 70 1HG LYS 70 6.723 2.868 3.655 539 2HG LYS 70 2HG LYS 70 5.972 1.646 4.662 540 1HD LYS 70 1HD LYS 70 8.736 2.481 5.466 541 2HD LYS 70 2HD LYS 70 7.486 3.695 5.654 542 1HE LYS 70 1HE LYS 70 7.127 2.663 7.673 543 2HE LYS 70 2HE LYS 70 6.184 1.535 6.720 544 1HZ LYS 70 1HZ LYS 70 7.589 0.069 7.594 545 2HZ LYS 70 2HZ LYS 70 8.632 0.554 6.435 546 3HZ LYS 70 3HZ LYS 70 8.744 1.169 7.944 547 H GLY 71 H GLY 71 10.144 1.367 1.097 548 1HA GLY 71 1HA GLY 71 10.601 4.129 1.527 549 2HA GLY 71 2HA GLY 71 11.531 3.043 0.514 550 H VAL 72 H VAL 72 10.066 2.251 -1.551 551 HA VAL 72 HA VAL 72 9.857 4.484 -3.175 552 HB VAL 72 HB VAL 72 8.656 2.889 -4.706 553 1HG1 VAL 72 1HG1 VAL 72 10.705 2.335 -5.393 554 2HG1 VAL 72 2HG1 VAL 72 11.343 2.963 -3.854 555 3HG1 VAL 72 3HG1 VAL 72 10.926 1.239 -4.008 556 1HG2 VAL 72 1HG2 VAL 72 8.405 0.580 -4.096 557 2HG2 VAL 72 2HG2 VAL 72 9.185 0.853 -2.519 558 3HG2 VAL 72 3HG2 VAL 72 7.588 1.563 -2.857 559 H PHE 73 H PHE 73 7.367 2.670 -1.301 560 HA PHE 73 HA PHE 73 5.136 3.928 -2.319 561 1HB PHE 73 1HB PHE 73 5.825 3.009 0.538 562 2HB PHE 73 2HB PHE 73 4.191 3.257 -0.044 563 HD1 PHE 73 HD1 PHE 73 5.321 2.031 -2.880 564 HD2 PHE 73 HD2 PHE 73 4.956 0.713 1.138 565 HE1 PHE 73 HE1 PHE 73 5.239 -0.351 -3.668 566 HE2 PHE 73 HE2 PHE 73 4.874 -1.669 0.349 567 HZ PHE 73 HZ PHE 73 5.016 -2.172 -2.045 568 H SER 74 H SER 74 6.966 4.765 0.717 569 HA SER 74 HA SER 74 5.516 6.982 1.335 570 1HB SER 74 1HB SER 74 7.059 6.148 2.948 571 2HB SER 74 2HB SER 74 8.407 6.214 1.831 572 HG SER 74 HG SER 74 7.047 8.644 2.517 573 H ARG 75 H ARG 75 8.131 6.529 -1.052 574 HA ARG 75 HA ARG 75 8.756 9.186 -1.424 575 1HB ARG 75 1HB ARG 75 9.535 6.718 -2.517 576 2HB ARG 75 2HB ARG 75 8.839 7.550 -3.893 577 1HG ARG 75 1HG ARG 75 10.540 9.084 -3.991 578 2HG ARG 75 2HG ARG 75 10.592 9.287 -2.251 579 1HD ARG 75 1HD ARG 75 12.571 8.143 -2.374 580 2HD ARG 75 2HD ARG 75 11.567 6.713 -2.495 581 HE ARG 75 HE ARG 75 11.714 7.594 -5.116 582 1HH1 ARG 75 1HH1 ARG 75 14.119 6.846 -2.659 583 2HH1 ARG 75 2HH1 ARG 75 15.324 6.361 -3.804 584 1HH2 ARG 75 1HH2 ARG 75 13.305 6.954 -6.627 585 2HH2 ARG 75 2HH2 ARG 75 14.858 6.423 -6.076 586 H VAL 76 H VAL 76 6.123 7.121 -2.683 587 HA VAL 76 HA VAL 76 5.298 8.685 -4.814 588 HB VAL 76 HB VAL 76 3.713 6.949 -2.910 589 1HG1 VAL 76 1HG1 VAL 76 2.999 8.204 -5.565 590 2HG1 VAL 76 2HG1 VAL 76 2.200 6.725 -4.980 591 3HG1 VAL 76 3HG1 VAL 76 2.091 8.229 -4.034 592 1HG2 VAL 76 1HG2 VAL 76 4.141 5.754 -5.471 593 2HG2 VAL 76 2HG2 VAL 76 5.711 6.315 -4.847 594 3HG2 VAL 76 3HG2 VAL 76 4.712 5.208 -3.876 595 H LEU 77 H LEU 77 3.823 8.605 -1.486 596 HA LEU 77 HA LEU 77 2.298 10.887 -1.859 597 1HB LEU 77 1HB LEU 77 3.408 10.050 0.803 598 2HB LEU 77 2HB LEU 77 1.862 10.790 0.437 599 HG LEU 77 HG LEU 77 1.735 8.415 -0.975 600 1HD1 LEU 77 1HD1 LEU 77 2.596 6.642 0.245 601 2HD1 LEU 77 2HD1 LEU 77 3.904 7.847 0.328 602 3HD1 LEU 77 3HD1 LEU 77 2.814 7.620 1.717 603 1HD2 LEU 77 1HD2 LEU 77 0.014 7.827 0.515 604 2HD2 LEU 77 2HD2 LEU 77 0.765 8.704 1.869 605 3HD2 LEU 77 3HD2 LEU 77 0.044 9.607 0.515 606 H ALA 78 H ALA 78 5.736 10.458 -1.190 607 HA ALA 78 HA ALA 78 6.294 12.923 -0.044 608 1HB ALA 78 1HB ALA 78 8.242 11.759 -1.981 609 2HB ALA 78 2HB ALA 78 8.471 12.259 -0.288 610 3HB ALA 78 3HB ALA 78 7.705 10.696 -0.658 611 H HIS 79 H HIS 79 6.002 11.904 -3.497 612 HA HIS 79 HA HIS 79 6.877 14.233 -4.654 613 1HB HIS 79 1HB HIS 79 5.916 11.842 -5.533 614 2HB HIS 79 2HB HIS 79 4.576 12.891 -5.951 615 HD1 HIS 79 HD1 HIS 79 5.134 12.526 -8.501 616 HD2 HIS 79 HD2 HIS 79 8.141 14.447 -6.295 617 HE1 HIS 79 HE1 HIS 79 6.746 13.526 -10.208 618 HE2 HIS 79 HE2 HIS 79 8.542 14.739 -8.794 619 H ASN 80 H ASN 80 4.035 13.636 -2.732 620 HA ASN 80 HA ASN 80 2.782 16.027 -3.787 621 1HB ASN 80 1HB ASN 80 1.855 13.684 -2.099 622 2HB ASN 80 2HB ASN 80 0.978 15.195 -1.975 623 1HD2 ASN 80 1HD2 ASN 80 0.292 16.215 -4.024 624 2HD2 ASN 80 2HD2 ASN 80 -0.270 15.207 -5.315 625 H LEU 81 H LEU 81 2.596 14.631 -0.459 626 HA LEU 81 HA LEU 81 3.073 17.213 0.680 627 1HB LEU 81 1HB LEU 81 2.204 14.537 1.599 628 2HB LEU 81 2HB LEU 81 3.034 15.524 2.785 629 HG LEU 81 HG LEU 81 1.144 17.237 1.585 630 1HD1 LEU 81 1HD1 LEU 81 0.165 14.432 1.764 631 2HD1 LEU 81 2HD1 LEU 81 -0.919 15.720 2.343 632 3HD1 LEU 81 3HD1 LEU 81 -0.311 15.754 0.671 633 1HD2 LEU 81 1HD2 LEU 81 0.346 17.517 3.755 634 2HD2 LEU 81 2HD2 LEU 81 0.709 15.835 4.215 635 3HD2 LEU 81 3HD2 LEU 81 2.034 17.003 3.994 636 H TYR 82 H TYR 82 4.619 16.990 2.844 637 HA TYR 82 HA TYR 82 6.973 15.475 2.470 638 1HB TYR 82 1HB TYR 82 6.621 17.979 1.017 639 2HB TYR 82 2HB TYR 82 7.799 18.278 2.279 640 HD1 TYR 82 HD1 TYR 82 9.717 16.425 2.465 641 HD2 TYR 82 HD2 TYR 82 7.373 17.181 -1.033 642 HE1 TYR 82 HE1 TYR 82 11.524 15.374 1.018 643 HE2 TYR 82 HE2 TYR 82 9.188 16.128 -2.468 644 HH TYR 82 HH TYR 82 12.132 15.805 -1.697 645 H LEU 83 H LEU 83 6.989 14.987 4.646 646 HA LEU 83 HA LEU 83 7.647 17.192 6.402 647 1HB LEU 83 1HB LEU 83 5.167 17.010 6.429 648 2HB LEU 83 2HB LEU 83 5.321 15.362 7.004 649 HG LEU 83 HG LEU 83 6.746 17.423 8.598 650 1HD1 LEU 83 1HD1 LEU 83 4.475 18.410 7.856 651 2HD1 LEU 83 2HD1 LEU 83 3.766 17.205 8.958 652 3HD1 LEU 83 3HD1 LEU 83 4.897 18.428 9.585 653 1HD2 LEU 83 1HD2 LEU 83 5.300 15.938 10.337 654 2HD2 LEU 83 2HD2 LEU 83 5.446 14.794 8.981 655 3HD2 LEU 83 3HD2 LEU 83 6.909 15.481 9.727 656 H ALA 84 H ALA 84 8.348 16.293 8.613 657 HA ALA 84 HA ALA 84 10.425 14.619 8.373 658 1HB ALA 84 1HB ALA 84 8.956 14.188 10.888 659 2HB ALA 84 2HB ALA 84 10.555 14.920 10.610 660 3HB ALA 84 3HB ALA 84 9.083 15.904 10.432 661 H LYS 85 H LYS 85 7.001 13.662 9.057 662 HA LYS 85 HA LYS 85 7.275 11.252 7.652 663 1HB LYS 85 1HB LYS 85 6.966 9.736 9.693 664 2HB LYS 85 2HB LYS 85 8.581 10.315 9.343 665 1HG LYS 85 1HG LYS 85 8.662 11.110 11.467 666 2HG LYS 85 2HG LYS 85 7.506 12.334 10.980 667 1HD LYS 85 1HD LYS 85 6.300 11.389 12.718 668 2HD LYS 85 2HD LYS 85 5.738 10.358 11.417 669 1HE LYS 85 1HE LYS 85 6.378 8.879 13.205 670 2HE LYS 85 2HE LYS 85 7.636 8.740 11.993 671 1HZ LYS 85 1HZ LYS 85 9.106 9.572 13.396 672 2HZ LYS 85 2HZ LYS 85 8.158 10.825 13.838 673 3HZ LYS 85 3HZ LYS 85 8.005 9.382 14.586 674 H ALA 86 H ALA 86 5.484 13.010 7.080 675 HA ALA 86 HA ALA 86 3.135 12.669 8.754 676 1HB ALA 86 1HB ALA 86 3.750 14.353 6.295 677 2HB ALA 86 2HB ALA 86 2.176 14.337 7.126 678 3HB ALA 86 3HB ALA 86 3.628 14.910 7.981 679 H VAL 87 H VAL 87 4.209 12.103 5.333 680 HA VAL 87 HA VAL 87 1.865 10.419 4.949 681 HB VAL 87 HB VAL 87 2.315 10.577 2.651 682 1HG1 VAL 87 1HG1 VAL 87 1.594 12.685 2.578 683 2HG1 VAL 87 2HG1 VAL 87 2.127 12.909 4.261 684 3HG1 VAL 87 3HG1 VAL 87 3.234 13.287 2.920 685 1HG2 VAL 87 1HG2 VAL 87 4.622 10.065 2.479 686 2HG2 VAL 87 2HG2 VAL 87 4.443 11.704 1.808 687 3HG2 VAL 87 3HG2 VAL 87 5.092 11.480 3.450 688 H GLN 88 H GLN 88 1.943 8.200 4.794 689 HA GLN 88 HA GLN 88 4.248 6.804 4.164 690 1HB GLN 88 1HB GLN 88 4.558 7.750 6.688 691 2HB GLN 88 2HB GLN 88 3.672 6.284 7.061 692 1HG GLN 88 1HG GLN 88 5.338 4.878 6.066 693 2HG GLN 88 2HG GLN 88 6.067 6.210 5.191 694 1HE2 GLN 88 1HE2 GLN 88 5.341 5.054 8.467 695 2HE2 GLN 88 2HE2 GLN 88 6.756 5.680 9.246 696 H ILE 89 H ILE 89 3.458 4.945 3.274 697 HA ILE 89 HA ILE 89 0.736 4.239 3.753 698 HB ILE 89 HB ILE 89 2.951 3.205 2.015 699 1HG1 ILE 89 1HG1 ILE 89 0.218 4.102 1.140 700 2HG1 ILE 89 2HG1 ILE 89 1.430 5.293 1.571 701 1HG2 ILE 89 1HG2 ILE 89 0.587 1.726 2.937 702 2HG2 ILE 89 2HG2 ILE 89 0.751 1.812 1.167 703 3HG2 ILE 89 3HG2 ILE 89 2.077 1.150 2.153 704 1HD1 ILE 89 1HD1 ILE 89 2.847 4.713 -0.201 705 2HD1 ILE 89 2HD1 ILE 89 2.212 3.053 -0.299 706 3HD1 ILE 89 3HD1 ILE 89 1.249 4.412 -0.927 707 H HIS 90 H HIS 90 -0.106 2.589 4.989 708 HA HIS 90 HA HIS 90 1.866 1.200 6.643 709 1HB HIS 90 1HB HIS 90 0.039 2.771 7.616 710 2HB HIS 90 2HB HIS 90 -1.068 1.456 7.280 711 HD1 HIS 90 HD1 HIS 90 0.424 2.720 10.086 712 HD2 HIS 90 HD2 HIS 90 0.568 -1.112 8.386 713 HE1 HIS 90 HE1 HIS 90 1.079 1.127 11.969 714 HE2 HIS 90 HE2 HIS 90 1.098 -1.218 10.876 715 H PHE 91 H PHE 91 1.835 -1.061 6.822 716 HA PHE 91 HA PHE 91 0.416 -2.367 4.661 717 1HB PHE 91 1HB PHE 91 2.079 -4.053 5.009 718 2HB PHE 91 2HB PHE 91 2.936 -2.603 5.491 719 HD1 PHE 91 HD1 PHE 91 0.807 -5.296 6.950 720 HD2 PHE 91 HD2 PHE 91 3.996 -2.562 7.548 721 HE1 PHE 91 HE1 PHE 91 1.252 -6.308 9.203 722 HE2 PHE 91 HE2 PHE 91 4.441 -3.573 9.801 723 HZ PHE 91 HZ PHE 91 3.064 -5.434 10.602 724 H VAL 92 H VAL 92 -1.290 -3.780 4.902 725 HA VAL 92 HA VAL 92 -1.918 -4.685 7.602 726 HB VAL 92 HB VAL 92 -3.719 -3.072 5.798 727 1HG1 VAL 92 1HG1 VAL 92 -5.467 -3.576 7.630 728 2HG1 VAL 92 2HG1 VAL 92 -5.148 -4.830 6.408 729 3HG1 VAL 92 3HG1 VAL 92 -4.438 -4.970 8.034 730 1HG2 VAL 92 1HG2 VAL 92 -2.308 -2.624 8.344 731 2HG2 VAL 92 2HG2 VAL 92 -2.933 -1.457 7.154 732 3HG2 VAL 92 3HG2 VAL 92 -4.026 -2.159 8.371 733 H LYS 93 H LYS 93 -3.406 -6.557 7.592 734 HA LYS 93 HA LYS 93 -3.559 -7.845 4.966 735 1HB LYS 93 1HB LYS 93 -2.880 -9.507 7.360 736 2HB LYS 93 2HB LYS 93 -2.553 -9.798 5.664 737 1HG LYS 93 1HG LYS 93 -0.940 -7.795 5.744 738 2HG LYS 93 2HG LYS 93 -1.151 -7.790 7.484 739 1HD LYS 93 1HD LYS 93 -0.451 -10.419 6.197 740 2HD LYS 93 2HD LYS 93 0.810 -9.204 6.265 741 1HE LYS 93 1HE LYS 93 1.013 -9.339 8.559 742 2HE LYS 93 2HE LYS 93 -0.710 -9.543 8.808 743 1HZ LYS 93 1HZ LYS 93 0.539 -11.534 9.321 744 2HZ LYS 93 2HZ LYS 93 -0.506 -11.812 8.098 745 3HZ LYS 93 3HZ LYS 93 1.087 -11.633 7.786 746 H ASP 94 H ASP 94 -4.529 -8.111 8.460 747 HA ASP 94 HA ASP 94 -7.247 -8.394 7.502 748 1HB ASP 94 1HB ASP 94 -5.718 -10.322 9.273 749 2HB ASP 94 2HB ASP 94 -7.447 -10.144 9.494 750 H LYS 95 H LYS 95 -5.266 -6.452 9.009 751 HA LYS 95 HA LYS 95 -5.698 -4.789 10.451 752 1HB LYS 95 1HB LYS 95 -8.222 -5.833 10.257 753 2HB LYS 95 2HB LYS 95 -7.893 -6.063 11.962 754 1HG LYS 95 1HG LYS 95 -8.222 -3.856 12.353 755 2HG LYS 95 2HG LYS 95 -6.929 -3.444 11.245 756 1HD LYS 95 1HD LYS 95 -8.387 -3.155 9.420 757 2HD LYS 95 2HD LYS 95 -9.604 -4.227 10.082 758 1HE LYS 95 1HE LYS 95 -10.704 -2.406 10.871 759 2HE LYS 95 2HE LYS 95 -9.381 -2.140 11.988 760 1HZ LYS 95 1HZ LYS 95 -8.763 -0.396 10.819 761 2HZ LYS 95 2HZ LYS 95 -8.690 -1.237 9.421 762 3HZ LYS 95 3HZ LYS 95 -10.096 -0.551 9.888 763 H ALA 96 H ALA 96 -6.161 -8.133 11.760 764 HA ALA 96 HA ALA 96 -3.774 -8.197 13.118 765 1HB ALA 96 1HB ALA 96 -5.692 -6.495 14.419 766 2HB ALA 96 2HB ALA 96 -5.456 -7.950 15.417 767 3HB ALA 96 3HB ALA 96 -4.058 -6.948 14.961 768 H ILE 97 H ILE 97 -4.748 -10.086 11.625 769 HA ILE 97 HA ILE 97 -5.462 -12.172 11.495 770 HB ILE 97 HB ILE 97 -3.841 -12.025 13.666 771 1HG1 ILE 97 1HG1 ILE 97 -4.832 -14.740 13.268 772 2HG1 ILE 97 2HG1 ILE 97 -4.591 -13.906 11.746 773 1HG2 ILE 97 1HG2 ILE 97 -4.736 -12.801 15.595 774 2HG2 ILE 97 2HG2 ILE 97 -6.204 -12.039 14.936 775 3HG2 ILE 97 3HG2 ILE 97 -5.959 -13.794 14.764 776 1HD1 ILE 97 1HD1 ILE 97 -2.280 -13.237 12.528 777 2HD1 ILE 97 2HD1 ILE 97 -2.537 -14.235 13.980 778 3HD1 ILE 97 3HD1 ILE 97 -2.501 -14.996 12.371 779 H ASP 98 H ASP 98 -7.364 -9.886 12.176 780 HA ASP 98 HA ASP 98 -9.316 -10.815 13.883 781 1HB ASP 98 1HB ASP 98 -9.396 -8.972 11.459 782 2HB ASP 98 2HB ASP 98 -10.829 -9.280 12.420 783 H ASN 99 H ASN 99 -8.258 -11.965 10.813 784 HA ASN 99 HA ASN 99 -10.743 -12.767 9.775 785 1HB ASN 99 1HB ASN 99 -8.675 -12.478 8.382 786 2HB ASN 99 2HB ASN 99 -7.915 -13.815 9.223 787 1HD2 ASN 99 1HD2 ASN 99 -10.065 -12.830 6.758 788 2HD2 ASN 99 2HD2 ASN 99 -10.529 -14.384 6.150 789 H ALA 100 H ALA 100 -8.103 -14.276 11.731 790 HA ALA 100 HA ALA 100 -9.905 -16.141 12.883 791 1HB ALA 100 1HB ALA 100 -9.756 -17.645 11.172 792 2HB ALA 100 2HB ALA 100 -8.245 -16.943 10.546 793 3HB ALA 100 3HB ALA 100 -8.202 -18.044 11.944 794 H MET 101 H MET 101 -8.633 -17.640 14.426 795 HA MET 101 HA MET 101 -5.969 -17.045 14.974 796 1HB MET 101 1HB MET 101 -7.595 -14.982 15.809 797 2HB MET 101 2HB MET 101 -7.676 -16.006 17.228 798 1HG MET 101 1HG MET 101 -4.964 -15.447 16.010 799 2HG MET 101 2HG MET 101 -5.731 -14.186 16.955 800 1HE MET 101 1HE MET 101 -2.929 -16.715 17.948 801 2HE MET 101 2HE MET 101 -3.998 -18.132 18.078 802 3HE MET 101 3HE MET 101 -3.966 -17.176 16.577 Start of MODEL 6 1 H LYS 6 H LYS 6 -16.235 1.476 -12.047 2 HA LYS 6 HA LYS 6 -16.403 4.050 -10.645 3 1HB LYS 6 1HB LYS 6 -17.135 1.313 -9.901 4 2HB LYS 6 2HB LYS 6 -16.087 2.074 -8.720 5 1HG LYS 6 1HG LYS 6 -17.602 4.033 -8.589 6 2HG LYS 6 2HG LYS 6 -18.623 3.357 -9.843 7 1HD LYS 6 1HD LYS 6 -19.810 2.538 -8.051 8 2HD LYS 6 2HD LYS 6 -18.627 1.247 -8.126 9 1HE LYS 6 1HE LYS 6 -17.631 3.557 -6.586 10 2HE LYS 6 2HE LYS 6 -19.124 2.925 -5.920 11 1HZ LYS 6 1HZ LYS 6 -17.892 1.343 -5.043 12 2HZ LYS 6 2HZ LYS 6 -17.620 0.736 -6.535 13 3HZ LYS 6 3HZ LYS 6 -16.557 1.784 -5.874 14 H GLU 7 H GLU 7 -14.570 4.913 -9.696 15 HA GLU 7 HA GLU 7 -12.278 3.358 -9.267 16 1HB GLU 7 1HB GLU 7 -12.479 4.894 -11.840 17 2HB GLU 7 2HB GLU 7 -10.946 4.960 -10.992 18 1HG GLU 7 1HG GLU 7 -11.417 2.278 -10.824 19 2HG GLU 7 2HG GLU 7 -12.299 2.622 -12.299 20 H ARG 8 H ARG 8 -12.784 6.769 -10.433 21 HA ARG 8 HA ARG 8 -12.447 8.686 -9.497 22 1HB ARG 8 1HB ARG 8 -13.237 7.075 -7.045 23 2HB ARG 8 2HB ARG 8 -12.762 8.751 -6.859 24 1HG ARG 8 1HG ARG 8 -14.494 9.139 -8.861 25 2HG ARG 8 2HG ARG 8 -15.149 7.607 -8.320 26 1HD ARG 8 1HD ARG 8 -16.198 9.675 -7.241 27 2HD ARG 8 2HD ARG 8 -15.622 8.463 -6.114 28 HE ARG 8 HE ARG 8 -13.637 10.532 -6.779 29 1HH1 ARG 8 1HH1 ARG 8 -16.224 9.566 -4.599 30 2HH1 ARG 8 2HH1 ARG 8 -15.701 10.603 -3.313 31 1HH2 ARG 8 1HH2 ARG 8 -12.946 11.900 -5.084 32 2HH2 ARG 8 2HH2 ARG 8 -13.823 11.939 -3.591 33 H LEU 9 H LEU 9 -11.160 9.701 -7.251 34 HA LEU 9 HA LEU 9 -8.508 9.434 -7.828 35 1HB LEU 9 1HB LEU 9 -8.133 10.829 -6.074 36 2HB LEU 9 2HB LEU 9 -9.833 11.126 -6.380 37 HG LEU 9 HG LEU 9 -9.181 9.025 -4.370 38 1HD1 LEU 9 1HD1 LEU 9 -7.598 11.050 -4.044 39 2HD1 LEU 9 2HD1 LEU 9 -9.064 11.901 -3.501 40 3HD1 LEU 9 3HD1 LEU 9 -8.520 10.435 -2.651 41 1HD2 LEU 9 1HD2 LEU 9 -11.177 11.267 -4.129 42 2HD2 LEU 9 2HD2 LEU 9 -11.507 9.834 -5.132 43 3HD2 LEU 9 3HD2 LEU 9 -11.200 9.649 -3.388 44 H GLU 10 H GLU 10 -10.599 7.343 -5.876 45 HA GLU 10 HA GLU 10 -8.797 6.087 -4.310 46 1HB GLU 10 1HB GLU 10 -11.458 5.674 -5.113 47 2HB GLU 10 2HB GLU 10 -10.656 4.181 -5.558 48 1HG GLU 10 1HG GLU 10 -9.696 4.975 -2.946 49 2HG GLU 10 2HG GLU 10 -11.447 5.060 -2.933 50 H ASN 11 H ASN 11 -9.816 4.937 -7.616 51 HA ASN 11 HA ASN 11 -7.953 2.949 -7.791 52 1HB ASN 11 1HB ASN 11 -9.767 3.086 -9.408 53 2HB ASN 11 2HB ASN 11 -9.281 4.690 -9.922 54 1HD2 ASN 11 1HD2 ASN 11 -8.214 1.318 -9.742 55 2HD2 ASN 11 2HD2 ASN 11 -7.234 1.311 -11.170 56 H ASP 12 H ASP 12 -7.747 6.472 -8.347 57 HA ASP 12 HA ASP 12 -5.479 6.568 -9.877 58 1HB ASP 12 1HB ASP 12 -7.159 8.417 -8.855 59 2HB ASP 12 2HB ASP 12 -5.877 8.589 -7.673 60 H ILE 13 H ILE 13 -5.904 6.751 -6.261 61 HA ILE 13 HA ILE 13 -3.220 6.952 -5.610 62 HB ILE 13 HB ILE 13 -5.559 5.784 -4.103 63 1HG1 ILE 13 1HG1 ILE 13 -4.709 8.240 -3.013 64 2HG1 ILE 13 2HG1 ILE 13 -4.722 8.481 -4.749 65 1HG2 ILE 13 1HG2 ILE 13 -3.232 5.018 -3.349 66 2HG2 ILE 13 2HG2 ILE 13 -2.976 6.708 -2.851 67 3HG2 ILE 13 3HG2 ILE 13 -4.299 5.759 -2.132 68 1HD1 ILE 13 1HD1 ILE 13 -6.980 8.137 -2.901 69 2HD1 ILE 13 2HD1 ILE 13 -6.965 8.782 -4.560 70 3HD1 ILE 13 3HD1 ILE 13 -7.076 7.026 -4.289 71 H ILE 14 H ILE 14 -5.328 4.007 -5.861 72 HA ILE 14 HA ILE 14 -3.445 2.139 -5.197 73 HB ILE 14 HB ILE 14 -5.904 2.176 -6.869 74 1HG1 ILE 14 1HG1 ILE 14 -6.528 0.393 -5.200 75 2HG1 ILE 14 2HG1 ILE 14 -4.998 0.678 -4.396 76 1HG2 ILE 14 1HG2 ILE 14 -3.887 -0.075 -6.868 77 2HG2 ILE 14 2HG2 ILE 14 -5.613 -0.317 -7.229 78 3HG2 ILE 14 3HG2 ILE 14 -4.630 0.751 -8.259 79 1HD1 ILE 14 1HD1 ILE 14 -5.625 3.113 -4.149 80 2HD1 ILE 14 2HD1 ILE 14 -7.218 2.725 -4.840 81 3HD1 ILE 14 3HD1 ILE 14 -6.722 2.006 -3.289 82 H ARG 15 H ARG 15 -4.076 3.663 -8.415 83 HA ARG 15 HA ARG 15 -2.172 2.136 -9.736 84 1HB ARG 15 1HB ARG 15 -3.947 3.388 -10.922 85 2HB ARG 15 2HB ARG 15 -3.298 4.913 -10.355 86 1HG ARG 15 1HG ARG 15 -1.224 4.572 -11.636 87 2HG ARG 15 2HG ARG 15 -1.726 2.957 -12.095 88 1HD ARG 15 1HD ARG 15 -3.773 4.961 -12.786 89 2HD ARG 15 2HD ARG 15 -2.229 5.333 -13.528 90 HE ARG 15 HE ARG 15 -3.973 3.112 -14.200 91 1HH1 ARG 15 1HH1 ARG 15 -0.596 4.094 -14.082 92 2HH1 ARG 15 2HH1 ARG 15 -0.097 2.981 -15.311 93 1HH2 ARG 15 1HH2 ARG 15 -3.315 1.643 -15.823 94 2HH2 ARG 15 2HH2 ARG 15 -1.653 1.578 -16.308 95 H LEU 16 H LEU 16 -1.956 4.879 -7.566 96 HA LEU 16 HA LEU 16 0.426 6.017 -8.508 97 1HB LEU 16 1HB LEU 16 -1.440 6.637 -6.638 98 2HB LEU 16 2HB LEU 16 -0.130 6.092 -5.609 99 HG LEU 16 HG LEU 16 1.383 7.726 -6.790 100 1HD1 LEU 16 1HD1 LEU 16 -1.130 8.228 -8.279 101 2HD1 LEU 16 2HD1 LEU 16 -0.193 9.664 -7.801 102 3HD1 LEU 16 3HD1 LEU 16 0.568 8.393 -8.787 103 1HD2 LEU 16 1HD2 LEU 16 0.871 9.425 -5.329 104 2HD2 LEU 16 2HD2 LEU 16 -0.885 9.258 -5.570 105 3HD2 LEU 16 3HD2 LEU 16 -0.004 8.063 -4.589 106 H ILE 17 H ILE 17 -0.094 3.818 -5.654 107 HA ILE 17 HA ILE 17 2.561 3.340 -5.160 108 HB ILE 17 HB ILE 17 -0.005 1.964 -4.593 109 1HG1 ILE 17 1HG1 ILE 17 0.712 3.759 -3.151 110 2HG1 ILE 17 2HG1 ILE 17 0.782 2.245 -2.272 111 1HG2 ILE 17 1HG2 ILE 17 2.685 0.616 -4.439 112 2HG2 ILE 17 2HG2 ILE 17 1.366 0.196 -3.320 113 3HG2 ILE 17 3HG2 ILE 17 1.144 -0.009 -5.074 114 1HD1 ILE 17 1HD1 ILE 17 2.926 4.118 -2.837 115 2HD1 ILE 17 2HD1 ILE 17 2.948 2.681 -1.786 116 3HD1 ILE 17 3HD1 ILE 17 3.329 2.523 -3.517 117 H ASN 18 H ASN 18 0.408 1.979 -7.653 118 HA ASN 18 HA ASN 18 2.025 -0.175 -8.316 119 1HB ASN 18 1HB ASN 18 -0.252 -0.113 -9.144 120 2HB ASN 18 2HB ASN 18 -0.028 1.467 -9.868 121 1HD2 ASN 18 1HD2 ASN 18 -1.018 0.071 -11.631 122 2HD2 ASN 18 2HD2 ASN 18 0.070 -0.682 -12.749 123 H ARG 19 H ARG 19 1.797 3.250 -9.469 124 HA ARG 19 HA ARG 19 3.447 3.110 -11.610 125 1HB ARG 19 1HB ARG 19 2.178 5.129 -10.161 126 2HB ARG 19 2HB ARG 19 3.868 5.530 -9.932 127 1HG ARG 19 1HG ARG 19 2.974 4.818 -12.720 128 2HG ARG 19 2HG ARG 19 2.476 6.373 -12.085 129 1HD ARG 19 1HD ARG 19 4.754 7.096 -11.764 130 2HD ARG 19 2HD ARG 19 5.382 5.470 -11.942 131 HE ARG 19 HE ARG 19 3.961 6.213 -14.334 132 1HH1 ARG 19 1HH1 ARG 19 6.960 6.866 -12.611 133 2HH1 ARG 19 2HH1 ARG 19 7.839 7.289 -14.042 134 1HH2 ARG 19 1HH2 ARG 19 5.121 6.771 -16.222 135 2HH2 ARG 19 2HH2 ARG 19 6.786 7.234 -16.110 136 H THR 20 H THR 20 4.250 3.389 -8.111 137 HA THR 20 HA THR 20 7.064 3.700 -8.612 138 HB THR 20 HB THR 20 5.277 4.255 -6.528 139 HG1 THR 20 HG1 THR 20 7.190 5.404 -6.537 140 1HG2 THR 20 1HG2 THR 20 7.222 2.044 -5.680 141 2HG2 THR 20 2HG2 THR 20 6.209 3.019 -4.589 142 3HG2 THR 20 3HG2 THR 20 5.451 1.872 -5.720 143 H VAL 21 H VAL 21 4.802 1.026 -7.929 144 HA VAL 21 HA VAL 21 6.870 -0.844 -7.388 145 HB VAL 21 HB VAL 21 3.960 -1.148 -8.149 146 1HG1 VAL 21 1HG1 VAL 21 6.088 -3.162 -7.545 147 2HG1 VAL 21 2HG1 VAL 21 4.452 -3.447 -6.903 148 3HG1 VAL 21 3HG1 VAL 21 4.700 -3.258 -8.656 149 1HG2 VAL 21 1HG2 VAL 21 4.961 -0.073 -5.863 150 2HG2 VAL 21 2HG2 VAL 21 3.426 -0.968 -5.957 151 3HG2 VAL 21 3HG2 VAL 21 4.906 -1.795 -5.417 152 H ILE 22 H ILE 22 6.066 0.847 -10.174 153 HA ILE 22 HA ILE 22 5.933 -0.961 -12.197 154 HB ILE 22 HB ILE 22 7.104 1.768 -11.910 155 1HG1 ILE 22 1HG1 ILE 22 4.713 1.617 -12.059 156 2HG1 ILE 22 2HG1 ILE 22 5.324 2.295 -13.555 157 1HG2 ILE 22 1HG2 ILE 22 7.495 -0.065 -14.269 158 2HG2 ILE 22 2HG2 ILE 22 7.419 1.703 -14.460 159 3HG2 ILE 22 3HG2 ILE 22 8.680 0.971 -13.438 160 1HD1 ILE 22 1HD1 ILE 22 5.352 -0.444 -14.087 161 2HD1 ILE 22 2HD1 ILE 22 3.886 -0.238 -13.098 162 3HD1 ILE 22 3HD1 ILE 22 4.086 0.697 -14.599 163 H HIS 23 H HIS 23 8.954 0.331 -10.650 164 HA HIS 23 HA HIS 23 10.202 -2.203 -10.992 165 1HB HIS 23 1HB HIS 23 10.934 0.093 -12.797 166 2HB HIS 23 2HB HIS 23 12.143 -1.082 -12.319 167 HD1 HIS 23 HD1 HIS 23 11.408 -3.712 -12.871 168 HD2 HIS 23 HD2 HIS 23 9.478 -0.651 -14.992 169 HE1 HIS 23 HE1 HIS 23 10.382 -4.809 -14.934 170 HE2 HIS 23 HE2 HIS 23 9.164 -2.889 -16.170 171 H GLU 24 H GLU 24 9.420 -0.299 -8.865 172 HA GLU 24 HA GLU 24 12.110 0.211 -7.861 173 1HB GLU 24 1HB GLU 24 10.155 2.154 -8.406 174 2HB GLU 24 2HB GLU 24 10.032 1.922 -6.673 175 1HG GLU 24 1HG GLU 24 11.884 3.198 -6.401 176 2HG GLU 24 2HG GLU 24 12.823 1.970 -7.226 177 H ILE 25 H ILE 25 11.022 -2.264 -7.443 178 HA ILE 25 HA ILE 25 10.414 -2.137 -4.598 179 HB ILE 25 HB ILE 25 8.731 -3.542 -6.668 180 1HG1 ILE 25 1HG1 ILE 25 8.322 -1.093 -6.082 181 2HG1 ILE 25 2HG1 ILE 25 6.959 -2.187 -5.957 182 1HG2 ILE 25 1HG2 ILE 25 8.735 -5.221 -5.138 183 2HG2 ILE 25 2HG2 ILE 25 9.155 -4.146 -3.783 184 3HG2 ILE 25 3HG2 ILE 25 7.485 -4.191 -4.399 185 1HD1 ILE 25 1HD1 ILE 25 7.063 -0.713 -3.980 186 2HD1 ILE 25 2HD1 ILE 25 7.348 -2.403 -3.500 187 3HD1 ILE 25 3HD1 ILE 25 8.717 -1.274 -3.633 188 H TYR 26 H TYR 26 12.906 -2.602 -5.822 189 HA TYR 26 HA TYR 26 14.573 -4.062 -5.918 190 1HB TYR 26 1HB TYR 26 12.623 -5.121 -3.830 191 2HB TYR 26 2HB TYR 26 13.985 -6.143 -4.244 192 HD1 TYR 26 HD1 TYR 26 15.814 -5.996 -2.836 193 HD2 TYR 26 HD2 TYR 26 13.408 -2.512 -3.448 194 HE1 TYR 26 HE1 TYR 26 17.277 -4.693 -1.216 195 HE2 TYR 26 HE2 TYR 26 14.879 -1.220 -1.825 196 HH TYR 26 HH TYR 26 17.837 -2.121 -0.968 197 H ASN 27 H ASN 27 12.197 -6.655 -5.210 198 HA ASN 27 HA ASN 27 12.729 -7.637 -7.904 199 1HB ASN 27 1HB ASN 27 13.695 -9.129 -6.196 200 2HB ASN 27 2HB ASN 27 12.190 -9.149 -5.297 201 1HD2 ASN 27 1HD2 ASN 27 14.036 -10.542 -7.776 202 2HD2 ASN 27 2HD2 ASN 27 12.888 -11.684 -8.390 203 H GLU 28 H GLU 28 10.874 -7.453 -9.168 204 HA GLU 28 HA GLU 28 8.494 -6.599 -8.453 205 1HB GLU 28 1HB GLU 28 9.334 -7.240 -10.784 206 2HB GLU 28 2HB GLU 28 8.813 -8.879 -10.448 207 1HG GLU 28 1HG GLU 28 6.733 -8.300 -11.138 208 2HG GLU 28 2HG GLU 28 6.597 -7.272 -9.724 209 H THR 29 H THR 29 7.231 -7.174 -6.732 210 HA THR 29 HA THR 29 6.326 -9.933 -6.600 211 HB THR 29 HB THR 29 8.193 -8.608 -4.657 212 HG1 THR 29 HG1 THR 29 8.881 -10.791 -4.703 213 1HG2 THR 29 1HG2 THR 29 6.094 -8.808 -3.288 214 2HG2 THR 29 2HG2 THR 29 5.943 -10.506 -3.801 215 3HG2 THR 29 3HG2 THR 29 7.317 -10.000 -2.789 216 H VAL 30 H VAL 30 6.247 -6.957 -4.523 217 HA VAL 30 HA VAL 30 3.594 -7.278 -3.807 218 HB VAL 30 HB VAL 30 3.766 -5.162 -2.865 219 1HG1 VAL 30 1HG1 VAL 30 5.907 -6.945 -2.627 220 2HG1 VAL 30 2HG1 VAL 30 6.671 -5.348 -2.810 221 3HG1 VAL 30 3HG1 VAL 30 5.485 -5.623 -1.511 222 1HG2 VAL 30 1HG2 VAL 30 5.592 -3.521 -3.661 223 2HG2 VAL 30 2HG2 VAL 30 5.653 -4.520 -5.133 224 3HG2 VAL 30 3HG2 VAL 30 4.138 -3.710 -4.669 225 H LYS 31 H LYS 31 4.972 -6.492 -6.864 226 HA LYS 31 HA LYS 31 3.291 -4.678 -7.969 227 1HB LYS 31 1HB LYS 31 5.098 -5.435 -9.258 228 2HB LYS 31 2HB LYS 31 4.659 -7.122 -9.078 229 1HG LYS 31 1HG LYS 31 3.970 -6.583 -11.289 230 2HG LYS 31 2HG LYS 31 2.483 -6.546 -10.362 231 1HD LYS 31 1HD LYS 31 3.829 -3.934 -10.314 232 2HD LYS 31 2HD LYS 31 3.531 -4.461 -11.958 233 1HE LYS 31 1HE LYS 31 1.443 -3.576 -11.617 234 2HE LYS 31 2HE LYS 31 1.119 -5.102 -10.819 235 1HZ LYS 31 1HZ LYS 31 2.381 -3.117 -9.175 236 2HZ LYS 31 2HZ LYS 31 0.862 -2.750 -9.650 237 3HZ LYS 31 3HZ LYS 31 1.149 -4.130 -8.826 238 H THR 32 H THR 32 2.539 -7.914 -6.818 239 HA THR 32 HA THR 32 0.087 -8.113 -8.309 240 HB THR 32 HB THR 32 1.407 -10.114 -7.678 241 HG1 THR 32 HG1 THR 32 -0.463 -11.147 -6.581 242 1HG2 THR 32 1HG2 THR 32 1.887 -8.845 -5.257 243 2HG2 THR 32 2HG2 THR 32 0.579 -9.970 -4.819 244 3HG2 THR 32 3HG2 THR 32 2.089 -10.592 -5.526 245 H GLY 33 H GLY 33 1.092 -7.104 -5.015 246 1HA GLY 33 1HA GLY 33 -1.149 -7.011 -3.588 247 2HA GLY 33 2HA GLY 33 -0.013 -5.677 -3.627 248 H HIS 34 H HIS 34 -3.186 -6.146 -3.663 249 HA HIS 34 HA HIS 34 -3.620 -4.012 -5.618 250 1HB HIS 34 1HB HIS 34 -4.584 -6.648 -5.805 251 2HB HIS 34 2HB HIS 34 -5.954 -5.699 -5.264 252 HD1 HIS 34 HD1 HIS 34 -3.864 -6.414 -8.241 253 HD2 HIS 34 HD2 HIS 34 -6.710 -3.559 -7.082 254 HE1 HIS 34 HE1 HIS 34 -4.606 -5.237 -10.379 255 HE2 HIS 34 HE2 HIS 34 -6.395 -3.532 -9.611 256 H VAL 35 H VAL 35 -3.621 -5.010 -2.405 257 HA VAL 35 HA VAL 35 -4.355 -4.061 -0.547 258 HB VAL 35 HB VAL 35 -5.614 -1.881 -2.207 259 1HG1 VAL 35 1HG1 VAL 35 -4.796 -2.223 0.648 260 2HG1 VAL 35 2HG1 VAL 35 -4.607 -0.614 -0.088 261 3HG1 VAL 35 3HG1 VAL 35 -6.207 -1.393 -0.049 262 1HG2 VAL 35 1HG2 VAL 35 -3.523 -1.759 -3.138 263 2HG2 VAL 35 2HG2 VAL 35 -3.248 -0.788 -1.672 264 3HG2 VAL 35 3HG2 VAL 35 -2.725 -2.488 -1.725 265 H THR 36 H THR 36 -6.896 -3.508 -3.093 266 HA THR 36 HA THR 36 -9.005 -4.207 -3.224 267 HB THR 36 HB THR 36 -7.765 -6.420 -2.466 268 HG1 THR 36 HG1 THR 36 -10.601 -5.976 -1.870 269 1HG2 THR 36 1HG2 THR 36 -7.706 -6.713 -0.190 270 2HG2 THR 36 2HG2 THR 36 -8.800 -5.335 0.083 271 3HG2 THR 36 3HG2 THR 36 -9.468 -6.942 -0.293 272 H HIS 37 H HIS 37 -7.806 -3.699 0.125 273 HA HIS 37 HA HIS 37 -10.436 -2.720 0.855 274 1HB HIS 37 1HB HIS 37 -8.802 -4.259 2.248 275 2HB HIS 37 2HB HIS 37 -8.071 -2.732 2.701 276 HD1 HIS 37 HD1 HIS 37 -11.103 -4.845 3.256 277 HD2 HIS 37 HD2 HIS 37 -9.742 -1.010 4.274 278 HE1 HIS 37 HE1 HIS 37 -12.650 -4.005 5.103 279 HE2 HIS 37 HE2 HIS 37 -11.731 -1.668 5.725 280 H VAL 38 H VAL 38 -7.147 -1.473 1.710 281 HA VAL 38 HA VAL 38 -6.337 0.583 1.757 282 HB VAL 38 HB VAL 38 -7.223 0.076 -0.837 283 1HG1 VAL 38 1HG1 VAL 38 -8.040 2.859 0.050 284 2HG1 VAL 38 2HG1 VAL 38 -7.808 2.383 -1.649 285 3HG1 VAL 38 3HG1 VAL 38 -9.071 1.599 -0.669 286 1HG2 VAL 38 1HG2 VAL 38 -5.189 0.896 -1.272 287 2HG2 VAL 38 2HG2 VAL 38 -5.626 2.502 -0.641 288 3HG2 VAL 38 3HG2 VAL 38 -5.042 1.238 0.468 289 H LYS 39 H LYS 39 -6.932 1.772 3.499 290 HA LYS 39 HA LYS 39 -9.633 2.926 3.428 291 1HB LYS 39 1HB LYS 39 -8.835 1.179 5.259 292 2HB LYS 39 2HB LYS 39 -8.104 2.598 5.983 293 1HG LYS 39 1HG LYS 39 -11.039 2.078 5.410 294 2HG LYS 39 2HG LYS 39 -10.288 2.504 6.935 295 1HD LYS 39 1HD LYS 39 -10.411 4.367 4.517 296 2HD LYS 39 2HD LYS 39 -11.560 4.405 5.840 297 1HE LYS 39 1HE LYS 39 -8.551 4.718 6.250 298 2HE LYS 39 2HE LYS 39 -9.624 6.081 6.004 299 1HZ LYS 39 1HZ LYS 39 -10.111 4.097 8.104 300 2HZ LYS 39 2HZ LYS 39 -9.174 5.411 8.354 301 3HZ LYS 39 3HZ LYS 39 -10.751 5.593 7.968 302 H LEU 40 H LEU 40 -9.361 4.926 2.520 303 HA LEU 40 HA LEU 40 -7.015 6.439 2.856 304 1HB LEU 40 1HB LEU 40 -8.787 6.507 1.009 305 2HB LEU 40 2HB LEU 40 -9.723 7.512 2.097 306 HG LEU 40 HG LEU 40 -8.404 8.767 0.392 307 1HD1 LEU 40 1HD1 LEU 40 -9.119 9.620 2.724 308 2HD1 LEU 40 2HD1 LEU 40 -7.389 9.504 3.127 309 3HD1 LEU 40 3HD1 LEU 40 -7.923 10.557 1.796 310 1HD2 LEU 40 1HD2 LEU 40 -6.430 7.263 0.391 311 2HD2 LEU 40 2HD2 LEU 40 -6.012 8.983 0.577 312 3HD2 LEU 40 3HD2 LEU 40 -5.980 7.902 1.990 313 H SER 41 H SER 41 -6.428 6.732 5.006 314 HA SER 41 HA SER 41 -8.429 7.715 6.810 315 1HB SER 41 1HB SER 41 -6.552 6.016 7.363 316 2HB SER 41 2HB SER 41 -5.459 7.385 7.375 317 HG SER 41 HG SER 41 -7.243 8.314 8.927 318 H ASP 42 H ASP 42 -8.628 9.852 7.508 319 HA ASP 42 HA ASP 42 -8.295 11.991 7.662 320 1HB ASP 42 1HB ASP 42 -5.502 11.007 7.290 321 2HB ASP 42 2HB ASP 42 -5.737 12.695 6.882 322 H ASP 43 H ASP 43 -5.686 11.744 5.203 323 HA ASP 43 HA ASP 43 -7.391 12.038 2.994 324 1HB ASP 43 1HB ASP 43 -7.338 14.376 4.212 325 2HB ASP 43 2HB ASP 43 -5.709 14.499 3.580 326 H LEU 44 H LEU 44 -5.580 10.145 3.138 327 HA LEU 44 HA LEU 44 -3.911 9.312 1.894 328 1HB LEU 44 1HB LEU 44 -2.846 12.045 1.259 329 2HB LEU 44 2HB LEU 44 -2.650 10.548 0.369 330 HG LEU 44 HG LEU 44 -5.457 11.287 0.556 331 1HD1 LEU 44 1HD1 LEU 44 -5.503 13.443 0.032 332 2HD1 LEU 44 2HD1 LEU 44 -3.757 13.509 0.368 333 3HD1 LEU 44 3HD1 LEU 44 -4.333 13.208 -1.289 334 1HD2 LEU 44 1HD2 LEU 44 -4.051 11.298 -2.049 335 2HD2 LEU 44 2HD2 LEU 44 -3.928 9.797 -1.101 336 3HD2 LEU 44 3HD2 LEU 44 -5.527 10.447 -1.534 337 H LEU 45 H LEU 45 -3.824 11.392 4.572 338 HA LEU 45 HA LEU 45 -1.086 11.480 5.121 339 1HB LEU 45 1HB LEU 45 -3.589 11.711 6.758 340 2HB LEU 45 2HB LEU 45 -2.020 11.682 7.539 341 HG LEU 45 HG LEU 45 -2.493 13.624 5.301 342 1HD1 LEU 45 1HD1 LEU 45 -3.051 15.006 7.686 343 2HD1 LEU 45 2HD1 LEU 45 -4.159 14.659 6.337 344 3HD1 LEU 45 3HD1 LEU 45 -4.061 13.541 7.718 345 1HD2 LEU 45 1HD2 LEU 45 -0.700 13.449 7.711 346 2HD2 LEU 45 2HD2 LEU 45 -0.275 13.663 5.996 347 3HD2 LEU 45 3HD2 LEU 45 -1.009 15.006 6.905 348 H HIS 46 H HIS 46 -3.624 9.017 5.734 349 HA HIS 46 HA HIS 46 -1.466 7.156 6.326 350 1HB HIS 46 1HB HIS 46 -3.742 7.879 8.133 351 2HB HIS 46 2HB HIS 46 -3.212 6.209 8.088 352 HD1 HIS 46 HD1 HIS 46 -1.515 5.688 9.832 353 HD2 HIS 46 HD2 HIS 46 -1.249 9.667 8.530 354 HE1 HIS 46 HE1 HIS 46 0.351 6.764 11.199 355 HE2 HIS 46 HE2 HIS 46 0.505 9.192 10.316 356 H VAL 47 H VAL 47 -1.656 6.004 4.424 357 HA VAL 47 HA VAL 47 -4.332 5.233 3.577 358 HB VAL 47 HB VAL 47 -1.614 5.359 2.343 359 1HG1 VAL 47 1HG1 VAL 47 -2.676 4.121 0.338 360 2HG1 VAL 47 2HG1 VAL 47 -2.086 3.151 1.709 361 3HG1 VAL 47 3HG1 VAL 47 -3.828 3.473 1.530 362 1HG2 VAL 47 1HG2 VAL 47 -2.749 6.578 0.610 363 2HG2 VAL 47 2HG2 VAL 47 -4.343 6.122 1.259 364 3HG2 VAL 47 3HG2 VAL 47 -3.289 7.222 2.179 365 H THR 48 H THR 48 -5.024 3.625 4.986 366 HA THR 48 HA THR 48 -3.221 1.504 5.727 367 HB THR 48 HB THR 48 -6.219 1.951 6.185 368 HG1 THR 48 HG1 THR 48 -4.517 3.540 6.988 369 1HG2 THR 48 1HG2 THR 48 -4.305 0.371 7.942 370 2HG2 THR 48 2HG2 THR 48 -6.084 0.310 7.902 371 3HG2 THR 48 3HG2 THR 48 -5.137 -0.432 6.589 372 H VAL 49 H VAL 49 -2.549 0.352 3.948 373 HA VAL 49 HA VAL 49 -4.621 -0.648 2.165 374 HB VAL 49 HB VAL 49 -2.884 -1.174 0.684 375 1HG1 VAL 49 1HG1 VAL 49 -1.557 1.230 1.844 376 2HG1 VAL 49 2HG1 VAL 49 -2.123 0.917 0.186 377 3HG1 VAL 49 3HG1 VAL 49 -3.288 1.367 1.454 378 1HG2 VAL 49 1HG2 VAL 49 -1.391 -2.363 2.185 379 2HG2 VAL 49 2HG2 VAL 49 -0.479 -1.115 1.303 380 3HG2 VAL 49 3HG2 VAL 49 -0.946 -0.844 2.999 381 H TYR 50 H TYR 50 -5.551 -2.597 2.490 382 HA TYR 50 HA TYR 50 -4.446 -4.322 4.522 383 1HB TYR 50 1HB TYR 50 -6.874 -4.284 2.633 384 2HB TYR 50 2HB TYR 50 -6.606 -5.610 3.746 385 HD1 TYR 50 HD1 TYR 50 -6.513 -1.855 3.985 386 HD2 TYR 50 HD2 TYR 50 -7.962 -5.535 5.617 387 HE1 TYR 50 HE1 TYR 50 -7.728 -0.574 5.814 388 HE2 TYR 50 HE2 TYR 50 -9.172 -4.241 7.440 389 HH TYR 50 HH TYR 50 -9.563 -2.310 8.316 390 H LEU 51 H LEU 51 -3.737 -3.831 1.292 391 HA LEU 51 HA LEU 51 -2.851 -5.053 -0.324 392 1HB LEU 51 1HB LEU 51 -1.724 -5.987 2.175 393 2HB LEU 51 2HB LEU 51 -1.716 -7.259 0.969 394 HG LEU 51 HG LEU 51 -0.536 -4.494 0.580 395 1HD1 LEU 51 1HD1 LEU 51 1.181 -5.216 1.792 396 2HD1 LEU 51 2HD1 LEU 51 0.508 -6.860 1.894 397 3HD1 LEU 51 3HD1 LEU 51 1.508 -6.393 0.498 398 1HD2 LEU 51 1HD2 LEU 51 -0.043 -6.902 -1.164 399 2HD2 LEU 51 2HD2 LEU 51 -1.411 -5.800 -1.456 400 3HD2 LEU 51 3HD2 LEU 51 0.257 -5.181 -1.505 401 H ASP 52 H ASP 52 -3.362 -7.998 1.638 402 HA ASP 52 HA ASP 52 -4.786 -9.643 1.465 403 1HB ASP 52 1HB ASP 52 -6.521 -7.758 0.993 404 2HB ASP 52 2HB ASP 52 -6.331 -8.161 -0.702 405 H CYS 53 H CYS 53 -2.728 -8.439 -0.817 406 HA CYS 53 HA CYS 53 -2.056 -9.008 -2.875 407 1HB CYS 53 1HB CYS 53 -1.065 -11.214 -2.924 408 2HB CYS 53 2HB CYS 53 -0.876 -10.531 -1.322 409 HG CYS 53 HG CYS 53 -1.538 -12.669 -0.443 410 H TYR 54 H TYR 54 -2.564 -11.892 -3.921 411 HA TYR 54 HA TYR 54 -5.054 -11.226 -5.254 412 1HB TYR 54 1HB TYR 54 -2.543 -12.531 -5.791 413 2HB TYR 54 2HB TYR 54 -3.739 -13.811 -5.842 414 HD1 TYR 54 HD1 TYR 54 -2.910 -10.472 -7.285 415 HD2 TYR 54 HD2 TYR 54 -5.109 -14.113 -7.744 416 HE1 TYR 54 HE1 TYR 54 -3.533 -9.806 -9.658 417 HE2 TYR 54 HE2 TYR 54 -5.724 -13.435 -10.115 418 HH TYR 54 HH TYR 54 -4.209 -10.775 -11.678 419 H ASN 55 H ASN 55 -3.644 -13.746 -3.097 420 HA ASN 55 HA ASN 55 -6.380 -14.634 -2.657 421 1HB ASN 55 1HB ASN 55 -4.035 -16.192 -3.577 422 2HB ASN 55 2HB ASN 55 -4.758 -16.882 -2.137 423 1HD2 ASN 55 1HD2 ASN 55 -5.522 -18.669 -3.207 424 2HD2 ASN 55 2HD2 ASN 55 -6.867 -18.638 -4.297 425 H ARG 56 H ARG 56 -3.141 -15.706 -1.405 426 HA ARG 56 HA ARG 56 -3.119 -14.167 0.856 427 1HB ARG 56 1HB ARG 56 -3.714 -16.007 2.569 428 2HB ARG 56 2HB ARG 56 -5.064 -15.265 1.735 429 1HG ARG 56 1HG ARG 56 -4.506 -17.308 -0.007 430 2HG ARG 56 2HG ARG 56 -3.975 -18.042 1.494 431 1HD ARG 56 1HD ARG 56 -6.424 -16.841 2.189 432 2HD ARG 56 2HD ARG 56 -6.715 -17.449 0.571 433 HE ARG 56 HE ARG 56 -6.469 -19.042 2.943 434 1HH1 ARG 56 1HH1 ARG 56 -5.501 -19.050 -0.441 435 2HH1 ARG 56 2HH1 ARG 56 -5.428 -20.778 -0.548 436 1HH2 ARG 56 1HH2 ARG 56 -6.372 -21.321 2.802 437 2HH2 ARG 56 2HH2 ARG 56 -5.927 -22.078 1.309 438 H GLU 57 H GLU 57 -2.462 -17.310 -0.721 439 HA GLU 57 HA GLU 57 -0.230 -17.908 0.894 440 1HB GLU 57 1HB GLU 57 0.207 -19.666 -0.846 441 2HB GLU 57 2HB GLU 57 -1.428 -19.705 -0.216 442 1HG GLU 57 1HG GLU 57 -2.275 -19.395 -2.294 443 2HG GLU 57 2HG GLU 57 -1.396 -17.888 -2.459 444 H GLN 58 H GLN 58 -0.713 -15.415 -1.244 445 HA GLN 58 HA GLN 58 2.003 -15.563 -2.277 446 1HB GLN 58 1HB GLN 58 -0.067 -15.191 -3.808 447 2HB GLN 58 2HB GLN 58 -0.124 -13.573 -3.138 448 1HG GLN 58 1HG GLN 58 2.020 -12.994 -4.026 449 2HG GLN 58 2HG GLN 58 2.467 -14.668 -4.285 450 1HE2 GLN 58 1HE2 GLN 58 2.973 -13.497 -6.394 451 2HE2 GLN 58 2HE2 GLN 58 1.766 -13.555 -7.635 452 H ILE 59 H ILE 59 -0.089 -13.984 0.027 453 HA ILE 59 HA ILE 59 0.986 -11.478 0.233 454 HB ILE 59 HB ILE 59 -0.856 -12.964 1.575 455 1HG1 ILE 59 1HG1 ILE 59 -0.628 -10.750 3.174 456 2HG1 ILE 59 2HG1 ILE 59 0.240 -10.229 1.744 457 1HG2 ILE 59 1HG2 ILE 59 0.673 -14.060 3.040 458 2HG2 ILE 59 2HG2 ILE 59 1.486 -12.529 3.442 459 3HG2 ILE 59 3HG2 ILE 59 -0.183 -12.821 3.989 460 1HD1 ILE 59 1HD1 ILE 59 -2.298 -11.670 1.168 461 2HD1 ILE 59 2HD1 ILE 59 -2.493 -10.118 2.017 462 3HD1 ILE 59 3HD1 ILE 59 -1.650 -10.175 0.451 463 H ASP 60 H ASP 60 2.116 -14.515 1.872 464 HA ASP 60 HA ASP 60 4.095 -13.621 3.351 465 1HB ASP 60 1HB ASP 60 3.384 -16.071 2.402 466 2HB ASP 60 2HB ASP 60 4.864 -15.853 1.490 467 H ARG 61 H ARG 61 4.059 -13.903 -0.239 468 HA ARG 61 HA ARG 61 6.790 -13.227 -0.493 469 1HB ARG 61 1HB ARG 61 4.603 -13.078 -2.625 470 2HB ARG 61 2HB ARG 61 6.328 -13.201 -2.911 471 1HG ARG 61 1HG ARG 61 4.844 -15.329 -1.320 472 2HG ARG 61 2HG ARG 61 4.895 -15.380 -3.071 473 1HD ARG 61 1HD ARG 61 7.249 -15.703 -3.130 474 2HD ARG 61 2HD ARG 61 7.480 -15.056 -1.518 475 HE ARG 61 HE ARG 61 5.812 -17.374 -1.326 476 1HH1 ARG 61 1HH1 ARG 61 9.141 -16.502 -2.059 477 2HH1 ARG 61 2HH1 ARG 61 9.790 -18.015 -1.523 478 1HH2 ARG 61 1HH2 ARG 61 6.668 -19.371 -0.618 479 2HH2 ARG 61 2HH2 ARG 61 8.374 -19.658 -0.698 480 H VAL 62 H VAL 62 3.624 -11.538 -1.056 481 HA VAL 62 HA VAL 62 4.775 -9.102 -1.847 482 HB VAL 62 HB VAL 62 2.089 -9.491 -0.533 483 1HG1 VAL 62 1HG1 VAL 62 1.804 -7.351 -1.091 484 2HG1 VAL 62 2HG1 VAL 62 3.409 -7.304 -1.858 485 3HG1 VAL 62 3HG1 VAL 62 1.985 -7.797 -2.805 486 1HG2 VAL 62 1HG2 VAL 62 1.353 -9.838 -3.014 487 2HG2 VAL 62 2HG2 VAL 62 3.038 -10.357 -3.255 488 3HG2 VAL 62 3HG2 VAL 62 2.001 -11.214 -2.090 489 H VAL 63 H VAL 63 3.069 -9.903 1.266 490 HA VAL 63 HA VAL 63 3.709 -7.703 2.673 491 HB VAL 63 HB VAL 63 3.654 -10.581 3.598 492 1HG1 VAL 63 1HG1 VAL 63 4.360 -9.798 5.575 493 2HG1 VAL 63 2HG1 VAL 63 4.187 -8.104 5.058 494 3HG1 VAL 63 3HG1 VAL 63 2.781 -8.987 5.700 495 1HG2 VAL 63 1HG2 VAL 63 1.632 -9.019 2.492 496 2HG2 VAL 63 2HG2 VAL 63 1.421 -10.493 3.466 497 3HG2 VAL 63 3HG2 VAL 63 1.361 -8.895 4.247 498 H GLY 64 H GLY 64 5.809 -10.598 2.140 499 1HA GLY 64 1HA GLY 64 7.939 -9.857 3.762 500 2HA GLY 64 2HA GLY 64 8.031 -10.866 2.332 501 H ALA 65 H ALA 65 7.082 -8.891 0.393 502 HA ALA 65 HA ALA 65 9.560 -7.510 0.016 503 1HB ALA 65 1HB ALA 65 7.065 -8.085 -1.511 504 2HB ALA 65 2HB ALA 65 7.937 -6.600 -1.958 505 3HB ALA 65 3HB ALA 65 8.766 -8.173 -2.024 506 H PHE 66 H PHE 66 6.164 -6.690 0.894 507 HA PHE 66 HA PHE 66 6.365 -3.948 0.726 508 1HB PHE 66 1HB PHE 66 4.774 -6.059 2.143 509 2HB PHE 66 2HB PHE 66 4.736 -4.504 2.950 510 HD1 PHE 66 HD1 PHE 66 3.938 -6.248 -0.202 511 HD2 PHE 66 HD2 PHE 66 3.479 -2.688 2.062 512 HE1 PHE 66 HE1 PHE 66 2.159 -5.466 -1.791 513 HE2 PHE 66 HE2 PHE 66 1.701 -1.906 0.473 514 HZ PHE 66 HZ PHE 66 1.062 -3.304 -1.435 515 H ASN 67 H ASN 67 7.843 -6.176 2.998 516 HA ASN 67 HA ASN 67 8.111 -4.276 5.073 517 1HB ASN 67 1HB ASN 67 8.361 -7.018 4.909 518 2HB ASN 67 2HB ASN 67 10.052 -6.557 4.895 519 1HD2 ASN 67 1HD2 ASN 67 6.993 -6.177 6.617 520 2HD2 ASN 67 2HD2 ASN 67 7.647 -5.898 8.196 521 H GLN 68 H GLN 68 8.972 -3.085 2.652 522 HA GLN 68 HA GLN 68 11.422 -2.096 3.317 523 1HB GLN 68 1HB GLN 68 12.883 -3.108 1.520 524 2HB GLN 68 2HB GLN 68 12.469 -4.214 2.815 525 1HG GLN 68 1HG GLN 68 10.865 -5.380 1.475 526 2HG GLN 68 2HG GLN 68 10.769 -4.083 0.300 527 1HE2 GLN 68 1HE2 GLN 68 11.117 -6.445 -0.733 528 2HE2 GLN 68 2HE2 GLN 68 12.733 -6.733 -1.287 529 H ALA 69 H ALA 69 8.945 -2.897 0.930 530 HA ALA 69 HA ALA 69 9.776 -0.929 -0.968 531 1HB ALA 69 1HB ALA 69 7.473 -2.821 -0.586 532 2HB ALA 69 2HB ALA 69 7.276 -1.458 -1.714 533 3HB ALA 69 3HB ALA 69 8.581 -2.642 -1.967 534 H LYS 70 H LYS 70 7.862 -1.028 1.992 535 HA LYS 70 HA LYS 70 6.080 0.958 1.734 536 1HB LYS 70 1HB LYS 70 6.288 -0.265 3.776 537 2HB LYS 70 2HB LYS 70 7.920 0.312 4.046 538 1HG LYS 70 1HG LYS 70 6.987 2.682 4.163 539 2HG LYS 70 2HG LYS 70 5.376 1.999 4.074 540 1HD LYS 70 1HD LYS 70 5.566 2.045 6.374 541 2HD LYS 70 2HD LYS 70 6.315 0.483 6.108 542 1HE LYS 70 1HE LYS 70 8.520 1.349 6.360 543 2HE LYS 70 2HE LYS 70 8.014 2.997 6.045 544 1HZ LYS 70 1HZ LYS 70 8.309 1.879 8.477 545 2HZ LYS 70 2HZ LYS 70 7.518 3.274 8.167 546 3HZ LYS 70 3HZ LYS 70 6.687 1.873 8.284 547 H GLY 71 H GLY 71 9.600 1.235 1.607 548 1HA GLY 71 1HA GLY 71 9.877 3.967 2.157 549 2HA GLY 71 2HA GLY 71 10.958 2.977 1.197 550 H VAL 72 H VAL 72 9.778 2.283 -1.074 551 HA VAL 72 HA VAL 72 9.678 4.613 -2.568 552 HB VAL 72 HB VAL 72 8.803 3.122 -4.352 553 1HG1 VAL 72 1HG1 VAL 72 10.933 1.443 -3.203 554 2HG1 VAL 72 2HG1 VAL 72 10.890 2.364 -4.726 555 3HG1 VAL 72 3HG1 VAL 72 11.298 3.186 -3.200 556 1HG2 VAL 72 1HG2 VAL 72 9.020 0.815 -2.425 557 2HG2 VAL 72 2HG2 VAL 72 7.490 1.708 -2.602 558 3HG2 VAL 72 3HG2 VAL 72 8.214 0.894 -4.011 559 H PHE 73 H PHE 73 7.101 2.694 -0.976 560 HA PHE 73 HA PHE 73 4.935 3.912 -2.223 561 1HB PHE 73 1HB PHE 73 5.379 2.793 0.610 562 2HB PHE 73 2HB PHE 73 3.791 3.110 -0.058 563 HD1 PHE 73 HD1 PHE 73 5.195 2.101 -2.889 564 HD2 PHE 73 HD2 PHE 73 4.361 0.474 0.940 565 HE1 PHE 73 HE1 PHE 73 5.150 -0.205 -3.879 566 HE2 PHE 73 HE2 PHE 73 4.315 -1.832 -0.050 567 HZ PHE 73 HZ PHE 73 4.710 -2.144 -2.447 568 H SER 74 H SER 74 6.663 4.722 0.864 569 HA SER 74 HA SER 74 4.995 6.815 1.543 570 1HB SER 74 1HB SER 74 6.427 5.991 3.241 571 2HB SER 74 2HB SER 74 7.851 6.081 2.224 572 HG SER 74 HG SER 74 6.585 8.558 2.633 573 H ARG 75 H ARG 75 7.677 6.542 -0.761 574 HA ARG 75 HA ARG 75 8.186 9.289 -0.933 575 1HB ARG 75 1HB ARG 75 9.344 6.943 -1.930 576 2HB ARG 75 2HB ARG 75 8.718 7.699 -3.382 577 1HG ARG 75 1HG ARG 75 10.096 9.586 -3.173 578 2HG ARG 75 2HG ARG 75 10.215 9.443 -1.430 579 1HD ARG 75 1HD ARG 75 12.369 8.794 -2.279 580 2HD ARG 75 2HD ARG 75 11.586 7.302 -1.797 581 HE ARG 75 HE ARG 75 10.857 7.587 -4.464 582 1HH1 ARG 75 1HH1 ARG 75 13.924 7.516 -2.742 583 2HH1 ARG 75 2HH1 ARG 75 14.804 6.850 -4.077 584 1HH2 ARG 75 1HH2 ARG 75 12.017 6.709 -6.226 585 2HH2 ARG 75 2HH2 ARG 75 13.712 6.388 -6.072 586 H VAL 76 H VAL 76 5.971 6.999 -2.572 587 HA VAL 76 HA VAL 76 5.252 8.423 -4.784 588 HB VAL 76 HB VAL 76 3.629 6.685 -2.923 589 1HG1 VAL 76 1HG1 VAL 76 2.871 8.037 -5.494 590 2HG1 VAL 76 2HG1 VAL 76 2.234 6.413 -5.141 591 3HG1 VAL 76 3HG1 VAL 76 1.907 7.760 -4.024 592 1HG2 VAL 76 1HG2 VAL 76 5.678 6.142 -4.831 593 2HG2 VAL 76 2HG2 VAL 76 4.709 4.989 -3.883 594 3HG2 VAL 76 3HG2 VAL 76 4.144 5.521 -5.485 595 H LEU 77 H LEU 77 3.518 8.530 -1.584 596 HA LEU 77 HA LEU 77 1.949 10.724 -2.279 597 1HB LEU 77 1HB LEU 77 2.811 9.971 0.509 598 2HB LEU 77 2HB LEU 77 1.350 10.807 0.020 599 HG LEU 77 HG LEU 77 1.363 8.307 -1.338 600 1HD1 LEU 77 1HD1 LEU 77 1.399 7.580 1.520 601 2HD1 LEU 77 2HD1 LEU 77 1.989 6.694 0.093 602 3HD1 LEU 77 3HD1 LEU 77 2.987 7.977 0.819 603 1HD2 LEU 77 1HD2 LEU 77 -0.570 9.725 -0.565 604 2HD2 LEU 77 2HD2 LEU 77 -0.725 7.980 -0.251 605 3HD2 LEU 77 3HD2 LEU 77 -0.289 9.087 1.073 606 H ALA 78 H ALA 78 5.289 10.438 -1.125 607 HA ALA 78 HA ALA 78 5.645 12.999 -0.133 608 1HB ALA 78 1HB ALA 78 7.781 11.576 -1.716 609 2HB ALA 78 2HB ALA 78 7.916 12.471 -0.183 610 3HB ALA 78 3HB ALA 78 7.174 10.854 -0.207 611 H HIS 79 H HIS 79 5.986 11.709 -3.502 612 HA HIS 79 HA HIS 79 6.960 13.852 -4.775 613 1HB HIS 79 1HB HIS 79 6.114 11.536 -5.623 614 2HB HIS 79 2HB HIS 79 4.607 12.375 -5.935 615 HD1 HIS 79 HD1 HIS 79 7.619 11.462 -7.604 616 HD2 HIS 79 HD2 HIS 79 5.221 14.904 -7.589 617 HE1 HIS 79 HE1 HIS 79 8.190 12.740 -9.737 618 HE2 HIS 79 HE2 HIS 79 6.646 14.817 -9.700 619 H ASN 80 H ASN 80 3.747 13.514 -3.302 620 HA ASN 80 HA ASN 80 2.957 16.031 -4.487 621 1HB ASN 80 1HB ASN 80 1.531 13.806 -2.996 622 2HB ASN 80 2HB ASN 80 0.799 15.398 -3.021 623 1HD2 ASN 80 1HD2 ASN 80 -0.706 13.645 -4.117 624 2HD2 ASN 80 2HD2 ASN 80 -0.687 13.653 -5.849 625 H LEU 81 H LEU 81 2.041 14.702 -1.259 626 HA LEU 81 HA LEU 81 3.018 17.183 -0.057 627 1HB LEU 81 1HB LEU 81 0.921 15.173 0.727 628 2HB LEU 81 2HB LEU 81 1.561 16.331 1.876 629 HG LEU 81 HG LEU 81 0.849 17.844 -0.396 630 1HD1 LEU 81 1HD1 LEU 81 -0.502 15.568 -0.777 631 2HD1 LEU 81 2HD1 LEU 81 -1.632 16.375 0.337 632 3HD1 LEU 81 3HD1 LEU 81 -1.166 17.168 -1.187 633 1HD2 LEU 81 1HD2 LEU 81 -0.377 19.075 1.100 634 2HD2 LEU 81 2HD2 LEU 81 -0.963 17.642 1.978 635 3HD2 LEU 81 3HD2 LEU 81 0.710 18.204 2.208 636 H TYR 82 H TYR 82 4.510 17.190 1.635 637 HA TYR 82 HA TYR 82 5.378 14.684 2.755 638 1HB TYR 82 1HB TYR 82 6.725 14.692 0.717 639 2HB TYR 82 2HB TYR 82 6.931 16.432 0.774 640 HD1 TYR 82 HD1 TYR 82 9.071 17.151 1.271 641 HD2 TYR 82 HD2 TYR 82 7.667 13.515 3.036 642 HE1 TYR 82 HE1 TYR 82 11.311 16.841 2.432 643 HE2 TYR 82 HE2 TYR 82 9.912 13.218 4.191 644 HH TYR 82 HH TYR 82 11.811 15.089 4.942 645 H LEU 83 H LEU 83 7.295 17.686 2.273 646 HA LEU 83 HA LEU 83 7.925 19.281 3.668 647 1HB LEU 83 1HB LEU 83 6.205 20.242 4.637 648 2HB LEU 83 2HB LEU 83 5.257 18.787 4.402 649 HG LEU 83 HG LEU 83 6.978 18.530 6.729 650 1HD1 LEU 83 1HD1 LEU 83 6.355 21.134 6.431 651 2HD1 LEU 83 2HD1 LEU 83 4.899 20.570 7.285 652 3HD1 LEU 83 3HD1 LEU 83 6.507 20.329 8.011 653 1HD2 LEU 83 1HD2 LEU 83 4.196 18.599 7.374 654 2HD2 LEU 83 2HD2 LEU 83 4.401 17.741 5.828 655 3HD2 LEU 83 3HD2 LEU 83 5.292 17.200 7.272 656 H ALA 84 H ALA 84 6.877 16.396 5.615 657 HA ALA 84 HA ALA 84 9.576 15.825 6.306 658 1HB ALA 84 1HB ALA 84 8.022 16.403 8.769 659 2HB ALA 84 2HB ALA 84 9.743 16.682 8.408 660 3HB ALA 84 3HB ALA 84 8.514 17.832 7.829 661 H LYS 85 H LYS 85 6.053 15.478 6.963 662 HA LYS 85 HA LYS 85 6.360 12.621 6.739 663 1HB LYS 85 1HB LYS 85 5.267 12.133 8.883 664 2HB LYS 85 2HB LYS 85 6.825 12.904 9.100 665 1HG LYS 85 1HG LYS 85 4.803 14.970 8.895 666 2HG LYS 85 2HG LYS 85 4.265 13.783 10.067 667 1HD LYS 85 1HD LYS 85 6.706 13.949 11.032 668 2HD LYS 85 2HD LYS 85 6.820 15.427 10.098 669 1HE LYS 85 1HE LYS 85 4.359 15.109 11.790 670 2HE LYS 85 2HE LYS 85 5.866 15.356 12.649 671 1HZ LYS 85 1HZ LYS 85 5.925 17.157 10.619 672 2HZ LYS 85 2HZ LYS 85 4.374 17.202 11.128 673 3HZ LYS 85 3HZ LYS 85 5.588 17.479 12.184 674 H ALA 86 H ALA 86 3.549 12.955 8.373 675 HA ALA 86 HA ALA 86 1.428 13.474 7.850 676 1HB ALA 86 1HB ALA 86 2.773 15.268 6.234 677 2HB ALA 86 2HB ALA 86 1.832 14.324 5.053 678 3HB ALA 86 3HB ALA 86 1.004 15.154 6.392 679 H VAL 87 H VAL 87 3.419 12.163 5.122 680 HA VAL 87 HA VAL 87 1.383 10.057 4.864 681 HB VAL 87 HB VAL 87 2.131 9.907 2.496 682 1HG1 VAL 87 1HG1 VAL 87 1.134 12.702 3.062 683 2HG1 VAL 87 2HG1 VAL 87 0.694 11.600 1.734 684 3HG1 VAL 87 3HG1 VAL 87 0.129 11.269 3.390 685 1HG2 VAL 87 1HG2 VAL 87 3.649 12.437 3.205 686 2HG2 VAL 87 2HG2 VAL 87 4.319 10.900 2.608 687 3HG2 VAL 87 3HG2 VAL 87 3.309 11.905 1.541 688 H GLN 88 H GLN 88 2.366 7.961 3.941 689 HA GLN 88 HA GLN 88 5.033 7.446 3.997 690 1HB GLN 88 1HB GLN 88 5.129 8.022 6.352 691 2HB GLN 88 2HB GLN 88 3.732 7.029 6.718 692 1HG GLN 88 1HG GLN 88 5.040 4.993 5.968 693 2HG GLN 88 2HG GLN 88 6.443 6.018 5.738 694 1HE2 GLN 88 1HE2 GLN 88 7.667 4.999 7.266 695 2HE2 GLN 88 2HE2 GLN 88 7.395 5.125 8.972 696 H ILE 89 H ILE 89 1.679 6.485 4.501 697 HA ILE 89 HA ILE 89 0.536 4.769 3.687 698 HB ILE 89 HB ILE 89 3.014 4.611 2.175 699 1HG1 ILE 89 1HG1 ILE 89 0.155 3.935 1.429 700 2HG1 ILE 89 2HG1 ILE 89 0.823 5.555 1.419 701 1HG2 ILE 89 1HG2 ILE 89 3.231 2.381 3.003 702 2HG2 ILE 89 2HG2 ILE 89 1.505 2.046 2.728 703 3HG2 ILE 89 3HG2 ILE 89 2.597 2.285 1.342 704 1HD1 ILE 89 1HD1 ILE 89 1.775 3.184 -0.249 705 2HD1 ILE 89 2HD1 ILE 89 0.971 4.659 -0.839 706 3HD1 ILE 89 3HD1 ILE 89 2.621 4.749 -0.176 707 H HIS 90 H HIS 90 -0.191 2.870 4.640 708 HA HIS 90 HA HIS 90 1.750 1.456 6.296 709 1HB HIS 90 1HB HIS 90 0.617 3.079 7.743 710 2HB HIS 90 2HB HIS 90 -0.947 2.467 7.243 711 HD1 HIS 90 HD1 HIS 90 1.977 1.684 9.463 712 HD2 HIS 90 HD2 HIS 90 -1.684 -0.045 8.365 713 HE1 HIS 90 HE1 HIS 90 1.551 -0.204 11.125 714 HE2 HIS 90 HE2 HIS 90 -0.738 -1.193 10.434 715 H PHE 91 H PHE 91 1.122 -0.777 6.777 716 HA PHE 91 HA PHE 91 -0.767 -1.761 4.762 717 1HB PHE 91 1HB PHE 91 0.604 -3.880 5.053 718 2HB PHE 91 2HB PHE 91 1.592 -2.525 4.543 719 HD1 PHE 91 HD1 PHE 91 0.449 -4.194 7.683 720 HD2 PHE 91 HD2 PHE 91 3.560 -2.116 5.679 721 HE1 PHE 91 HE1 PHE 91 1.960 -4.552 9.655 722 HE2 PHE 91 HE2 PHE 91 5.070 -2.474 7.651 723 HZ PHE 91 HZ PHE 91 4.252 -3.688 9.616 724 H VAL 92 H VAL 92 -1.949 -3.824 5.383 725 HA VAL 92 HA VAL 92 -2.363 -4.058 8.259 726 HB VAL 92 HB VAL 92 -4.410 -3.267 6.208 727 1HG1 VAL 92 1HG1 VAL 92 -6.111 -3.783 8.080 728 2HG1 VAL 92 2HG1 VAL 92 -5.503 -5.141 7.102 729 3HG1 VAL 92 3HG1 VAL 92 -4.854 -4.859 8.736 730 1HG2 VAL 92 1HG2 VAL 92 -3.584 -1.396 7.369 731 2HG2 VAL 92 2HG2 VAL 92 -5.105 -1.795 8.203 732 3HG2 VAL 92 3HG2 VAL 92 -3.546 -2.262 8.924 733 H LYS 93 H LYS 93 -1.328 -5.475 5.564 734 HA LYS 93 HA LYS 93 -2.964 -7.720 5.240 735 1HB LYS 93 1HB LYS 93 -0.680 -8.669 4.344 736 2HB LYS 93 2HB LYS 93 -1.547 -7.423 3.469 737 1HG LYS 93 1HG LYS 93 0.958 -6.999 3.801 738 2HG LYS 93 2HG LYS 93 -0.099 -5.684 4.274 739 1HD LYS 93 1HD LYS 93 0.245 -6.037 6.571 740 2HD LYS 93 2HD LYS 93 0.624 -7.735 6.366 741 1HE LYS 93 1HE LYS 93 2.725 -6.788 5.009 742 2HE LYS 93 2HE LYS 93 2.405 -5.330 5.926 743 1HZ LYS 93 1HZ LYS 93 2.820 -6.403 7.892 744 2HZ LYS 93 2HZ LYS 93 2.541 -7.899 7.299 745 3HZ LYS 93 3HZ LYS 93 3.917 -7.110 6.910 746 H ASP 94 H ASP 94 -1.041 -6.703 7.886 747 HA ASP 94 HA ASP 94 -0.902 -9.464 8.813 748 1HB ASP 94 1HB ASP 94 1.062 -7.371 8.758 749 2HB ASP 94 2HB ASP 94 0.643 -7.617 10.441 750 H LYS 95 H LYS 95 -1.733 -6.034 9.501 751 HA LYS 95 HA LYS 95 -2.441 -6.330 12.182 752 1HB LYS 95 1HB LYS 95 -2.015 -4.179 11.034 753 2HB LYS 95 2HB LYS 95 -3.498 -4.372 10.121 754 1HG LYS 95 1HG LYS 95 -4.563 -3.324 11.831 755 2HG LYS 95 2HG LYS 95 -4.330 -4.788 12.766 756 1HD LYS 95 1HD LYS 95 -1.966 -3.815 13.336 757 2HD LYS 95 2HD LYS 95 -2.592 -2.293 12.733 758 1HE LYS 95 1HE LYS 95 -4.619 -2.752 14.362 759 2HE LYS 95 2HE LYS 95 -3.542 -3.903 15.127 760 1HZ LYS 95 1HZ LYS 95 -2.676 -2.190 16.176 761 2HZ LYS 95 2HZ LYS 95 -2.066 -1.632 14.768 762 3HZ LYS 95 3HZ LYS 95 -3.518 -1.103 15.295 763 H ALA 96 H ALA 96 -3.973 -7.384 9.212 764 HA ALA 96 HA ALA 96 -6.589 -7.584 10.384 765 1HB ALA 96 1HB ALA 96 -5.986 -9.131 7.940 766 2HB ALA 96 2HB ALA 96 -7.243 -7.907 8.237 767 3HB ALA 96 3HB ALA 96 -5.588 -7.401 7.821 768 H ILE 97 H ILE 97 -3.741 -9.165 10.988 769 HA ILE 97 HA ILE 97 -3.436 -10.978 12.276 770 HB ILE 97 HB ILE 97 -6.132 -10.768 12.479 771 1HG1 ILE 97 1HG1 ILE 97 -5.372 -13.197 13.773 772 2HG1 ILE 97 2HG1 ILE 97 -3.984 -12.127 13.796 773 1HG2 ILE 97 1HG2 ILE 97 -5.852 -13.642 11.706 774 2HG2 ILE 97 2HG2 ILE 97 -7.293 -12.600 11.750 775 3HG2 ILE 97 3HG2 ILE 97 -6.113 -12.430 10.429 776 1HD1 ILE 97 1HD1 ILE 97 -5.973 -11.993 15.637 777 2HD1 ILE 97 2HD1 ILE 97 -5.020 -10.571 15.149 778 3HD1 ILE 97 3HD1 ILE 97 -6.622 -10.858 14.429 779 H ASP 98 H ASP 98 -3.836 -10.580 9.043 780 HA ASP 98 HA ASP 98 -2.910 -11.610 7.356 781 1HB ASP 98 1HB ASP 98 -1.400 -12.673 9.266 782 2HB ASP 98 2HB ASP 98 -2.343 -14.118 8.962 783 H ASN 99 H ASN 99 -5.717 -11.801 8.032 784 HA ASN 99 HA ASN 99 -7.544 -12.973 7.766 785 1HB ASN 99 1HB ASN 99 -5.825 -13.525 5.364 786 2HB ASN 99 2HB ASN 99 -7.242 -14.543 5.528 787 1HD2 ASN 99 1HD2 ASN 99 -6.138 -11.862 4.116 788 2HD2 ASN 99 2HD2 ASN 99 -7.575 -10.906 3.969 789 H ALA 100 H ALA 100 -6.557 -14.248 9.816 790 HA ALA 100 HA ALA 100 -7.032 -17.025 9.310 791 1HB ALA 100 1HB ALA 100 -4.927 -17.896 9.687 792 2HB ALA 100 2HB ALA 100 -4.478 -16.387 8.856 793 3HB ALA 100 3HB ALA 100 -4.393 -16.485 10.631 794 H MET 101 H MET 101 -5.498 -17.614 11.906 795 HA MET 101 HA MET 101 -6.333 -15.994 13.929 796 1HB MET 101 1HB MET 101 -8.587 -17.130 12.757 797 2HB MET 101 2HB MET 101 -8.242 -18.303 14.012 798 1HG MET 101 1HG MET 101 -8.005 -15.557 15.038 799 2HG MET 101 2HG MET 101 -9.585 -15.833 14.333 800 1HE MET 101 1HE MET 101 -11.399 -17.626 15.366 801 2HE MET 101 2HE MET 101 -11.394 -17.304 17.117 802 3HE MET 101 3HE MET 101 -11.176 -15.965 15.966 Start of MODEL 7 1 H LYS 6 H LYS 6 -16.702 8.289 -9.075 2 HA LYS 6 HA LYS 6 -17.235 5.474 -9.277 3 1HB LYS 6 1HB LYS 6 -16.633 6.424 -11.645 4 2HB LYS 6 2HB LYS 6 -14.997 6.475 -11.018 5 1HG LYS 6 1HG LYS 6 -16.696 3.963 -10.763 6 2HG LYS 6 2HG LYS 6 -15.791 4.296 -12.227 7 1HD LYS 6 1HD LYS 6 -13.717 4.021 -11.188 8 2HD LYS 6 2HD LYS 6 -14.307 4.537 -9.620 9 1HE LYS 6 1HE LYS 6 -14.002 2.208 -9.328 10 2HE LYS 6 2HE LYS 6 -15.723 2.340 -9.633 11 1HZ LYS 6 1HZ LYS 6 -14.149 2.080 -12.001 12 2HZ LYS 6 2HZ LYS 6 -14.053 0.787 -11.008 13 3HZ LYS 6 3HZ LYS 6 -15.507 1.287 -11.560 14 H GLU 7 H GLU 7 -14.089 7.162 -9.666 15 HA GLU 7 HA GLU 7 -13.565 7.309 -6.930 16 1HB GLU 7 1HB GLU 7 -12.792 4.774 -8.337 17 2HB GLU 7 2HB GLU 7 -11.604 5.464 -7.250 18 1HG GLU 7 1HG GLU 7 -13.929 5.673 -5.742 19 2HG GLU 7 2HG GLU 7 -14.216 4.190 -6.629 20 H ARG 8 H ARG 8 -13.109 9.414 -8.084 21 HA ARG 8 HA ARG 8 -11.158 9.649 -9.984 22 1HB ARG 8 1HB ARG 8 -10.914 12.045 -8.785 23 2HB ARG 8 2HB ARG 8 -12.347 11.632 -9.706 24 1HG ARG 8 1HG ARG 8 -13.676 11.396 -7.815 25 2HG ARG 8 2HG ARG 8 -12.356 10.811 -6.821 26 1HD ARG 8 1HD ARG 8 -11.387 13.153 -6.805 27 2HD ARG 8 2HD ARG 8 -12.788 13.708 -7.699 28 HE ARG 8 HE ARG 8 -13.727 12.292 -5.407 29 1HH1 ARG 8 1HH1 ARG 8 -12.009 15.262 -6.191 30 2HH1 ARG 8 2HH1 ARG 8 -12.563 16.105 -4.783 31 1HH2 ARG 8 1HH2 ARG 8 -14.460 13.405 -3.551 32 2HH2 ARG 8 2HH2 ARG 8 -13.967 15.042 -3.271 33 H LEU 9 H LEU 9 -10.403 11.411 -7.002 34 HA LEU 9 HA LEU 9 -7.733 11.020 -7.048 35 1HB LEU 9 1HB LEU 9 -7.699 12.094 -5.074 36 2HB LEU 9 2HB LEU 9 -9.357 12.434 -5.530 37 HG LEU 9 HG LEU 9 -8.738 10.032 -3.829 38 1HD1 LEU 9 1HD1 LEU 9 -7.610 12.105 -2.881 39 2HD1 LEU 9 2HD1 LEU 9 -9.248 12.763 -2.645 40 3HD1 LEU 9 3HD1 LEU 9 -8.764 11.262 -1.819 41 1HD2 LEU 9 1HD2 LEU 9 -11.101 11.399 -4.783 42 2HD2 LEU 9 2HD2 LEU 9 -10.944 9.826 -3.965 43 3HD2 LEU 9 3HD2 LEU 9 -11.087 11.318 -3.005 44 H GLU 10 H GLU 10 -10.216 8.897 -5.516 45 HA GLU 10 HA GLU 10 -8.648 7.202 -4.168 46 1HB GLU 10 1HB GLU 10 -11.289 7.140 -5.360 47 2HB GLU 10 2HB GLU 10 -10.545 5.564 -5.548 48 1HG GLU 10 1HG GLU 10 -10.394 6.977 -2.870 49 2HG GLU 10 2HG GLU 10 -11.867 6.145 -3.325 50 H ASN 11 H ASN 11 -9.698 6.565 -7.600 51 HA ASN 11 HA ASN 11 -8.054 4.458 -8.033 52 1HB ASN 11 1HB ASN 11 -9.874 5.405 -9.575 53 2HB ASN 11 2HB ASN 11 -8.724 6.619 -10.097 54 1HD2 ASN 11 1HD2 ASN 11 -9.249 3.133 -9.801 55 2HD2 ASN 11 2HD2 ASN 11 -8.303 2.641 -11.166 56 H ASP 12 H ASP 12 -7.304 7.864 -7.675 57 HA ASP 12 HA ASP 12 -4.952 7.882 -9.208 58 1HB ASP 12 1HB ASP 12 -6.518 9.788 -7.999 59 2HB ASP 12 2HB ASP 12 -5.191 9.720 -6.857 60 H ILE 13 H ILE 13 -5.775 7.519 -5.692 61 HA ILE 13 HA ILE 13 -3.077 7.300 -4.856 62 HB ILE 13 HB ILE 13 -5.675 6.549 -3.512 63 1HG1 ILE 13 1HG1 ILE 13 -4.650 8.792 -2.270 64 2HG1 ILE 13 2HG1 ILE 13 -4.269 9.092 -3.954 65 1HG2 ILE 13 1HG2 ILE 13 -4.491 6.409 -1.452 66 2HG2 ILE 13 2HG2 ILE 13 -3.643 5.367 -2.619 67 3HG2 ILE 13 3HG2 ILE 13 -2.978 6.966 -2.206 68 1HD1 ILE 13 1HD1 ILE 13 -6.895 8.059 -4.017 69 2HD1 ILE 13 2HD1 ILE 13 -6.867 9.149 -2.610 70 3HD1 ILE 13 3HD1 ILE 13 -6.418 9.762 -4.220 71 H ILE 14 H ILE 14 -5.670 4.982 -5.774 72 HA ILE 14 HA ILE 14 -4.269 2.682 -4.995 73 HB ILE 14 HB ILE 14 -6.582 3.293 -6.786 74 1HG1 ILE 14 1HG1 ILE 14 -7.594 1.585 -5.117 75 2HG1 ILE 14 2HG1 ILE 14 -6.143 1.855 -4.173 76 1HG2 ILE 14 1HG2 ILE 14 -6.831 0.789 -7.100 77 2HG2 ILE 14 2HG2 ILE 14 -5.571 1.588 -8.071 78 3HG2 ILE 14 3HG2 ILE 14 -5.121 0.653 -6.625 79 1HD1 ILE 14 1HD1 ILE 14 -7.974 3.377 -3.467 80 2HD1 ILE 14 2HD1 ILE 14 -6.598 4.295 -4.123 81 3HD1 ILE 14 3HD1 ILE 14 -8.054 4.043 -5.116 82 H ARG 15 H ARG 15 -4.633 4.293 -8.231 83 HA ARG 15 HA ARG 15 -2.880 2.529 -9.470 84 1HB ARG 15 1HB ARG 15 -4.480 3.863 -10.766 85 2HB ARG 15 2HB ARG 15 -3.778 5.362 -10.190 86 1HG ARG 15 1HG ARG 15 -1.663 4.878 -11.370 87 2HG ARG 15 2HG ARG 15 -2.255 3.301 -11.854 88 1HD ARG 15 1HD ARG 15 -4.263 5.095 -12.727 89 2HD ARG 15 2HD ARG 15 -2.760 5.926 -13.077 90 HE ARG 15 HE ARG 15 -2.190 4.246 -14.642 91 1HH1 ARG 15 1HH1 ARG 15 -5.047 3.307 -12.814 92 2HH1 ARG 15 2HH1 ARG 15 -5.437 1.982 -13.859 93 1HH2 ARG 15 1HH2 ARG 15 -2.704 2.497 -16.021 94 2HH2 ARG 15 2HH2 ARG 15 -4.095 1.518 -15.695 95 H LEU 16 H LEU 16 -2.361 5.076 -7.218 96 HA LEU 16 HA LEU 16 0.079 6.095 -8.200 97 1HB LEU 16 1HB LEU 16 -1.672 6.464 -5.956 98 2HB LEU 16 2HB LEU 16 -0.023 6.317 -5.382 99 HG LEU 16 HG LEU 16 -1.056 8.313 -7.415 100 1HD1 LEU 16 1HD1 LEU 16 -1.575 9.529 -5.632 101 2HD1 LEU 16 2HD1 LEU 16 -0.830 8.346 -4.530 102 3HD1 LEU 16 3HD1 LEU 16 0.165 9.626 -5.265 103 1HD2 LEU 16 1HD2 LEU 16 1.479 9.130 -6.702 104 2HD2 LEU 16 2HD2 LEU 16 1.659 7.367 -6.867 105 3HD2 LEU 16 3HD2 LEU 16 1.024 8.328 -8.225 106 H ILE 17 H ILE 17 -0.484 3.968 -5.305 107 HA ILE 17 HA ILE 17 2.154 3.196 -5.064 108 HB ILE 17 HB ILE 17 -0.452 2.386 -4.020 109 1HG1 ILE 17 1HG1 ILE 17 0.968 3.816 -2.737 110 2HG1 ILE 17 2HG1 ILE 17 0.875 2.272 -1.915 111 1HG2 ILE 17 1HG2 ILE 17 -0.015 0.199 -4.734 112 2HG2 ILE 17 2HG2 ILE 17 1.725 0.331 -4.383 113 3HG2 ILE 17 3HG2 ILE 17 0.553 0.240 -3.047 114 1HD1 ILE 17 1HD1 ILE 17 3.173 2.618 -1.847 115 2HD1 ILE 17 2HD1 ILE 17 3.051 1.731 -3.385 116 3HD1 ILE 17 3HD1 ILE 17 3.190 3.505 -3.390 117 H ASN 18 H ASN 18 -0.363 2.154 -7.312 118 HA ASN 18 HA ASN 18 0.785 -0.293 -7.975 119 1HB ASN 18 1HB ASN 18 -1.496 1.212 -8.725 120 2HB ASN 18 2HB ASN 18 -0.587 1.056 -10.215 121 1HD2 ASN 18 1HD2 ASN 18 -2.203 -0.271 -11.061 122 2HD2 ASN 18 2HD2 ASN 18 -2.364 -1.940 -10.627 123 H ARG 19 H ARG 19 0.573 2.753 -9.981 124 HA ARG 19 HA ARG 19 2.295 2.152 -11.893 125 1HB ARG 19 1HB ARG 19 1.089 4.499 -10.929 126 2HB ARG 19 2HB ARG 19 2.796 4.892 -10.886 127 1HG ARG 19 1HG ARG 19 1.795 3.519 -13.364 128 2HG ARG 19 2HG ARG 19 1.273 5.174 -13.121 129 1HD ARG 19 1HD ARG 19 4.180 4.703 -12.628 130 2HD ARG 19 2HD ARG 19 3.670 4.454 -14.286 131 HE ARG 19 HE ARG 19 3.907 6.994 -12.950 132 1HH1 ARG 19 1HH1 ARG 19 1.875 5.293 -15.266 133 2HH1 ARG 19 2HH1 ARG 19 1.349 6.740 -16.060 134 1HH2 ARG 19 1HH2 ARG 19 3.213 8.902 -13.997 135 2HH2 ARG 19 2HH2 ARG 19 2.115 8.806 -15.333 136 H THR 20 H THR 20 3.054 2.715 -8.502 137 HA THR 20 HA THR 20 5.830 3.287 -8.903 138 HB THR 20 HB THR 20 3.853 3.200 -6.752 139 HG1 THR 20 HG1 THR 20 5.835 4.502 -5.906 140 1HG2 THR 20 1HG2 THR 20 5.518 2.590 -4.953 141 2HG2 THR 20 2HG2 THR 20 5.044 1.185 -5.937 142 3HG2 THR 20 3HG2 THR 20 6.612 1.979 -6.217 143 H VAL 21 H VAL 21 3.907 0.364 -8.015 144 HA VAL 21 HA VAL 21 6.235 -1.249 -7.791 145 HB VAL 21 HB VAL 21 3.315 -1.964 -8.127 146 1HG1 VAL 21 1HG1 VAL 21 3.822 -4.146 -7.868 147 2HG1 VAL 21 2HG1 VAL 21 5.442 -3.662 -8.422 148 3HG1 VAL 21 3HG1 VAL 21 5.105 -3.811 -6.681 149 1HG2 VAL 21 1HG2 VAL 21 4.746 -0.777 -5.935 150 2HG2 VAL 21 2HG2 VAL 21 3.029 -1.235 -6.040 151 3HG2 VAL 21 3HG2 VAL 21 4.233 -2.420 -5.479 152 H ILE 22 H ILE 22 4.140 -0.156 -10.413 153 HA ILE 22 HA ILE 22 4.987 -2.233 -12.204 154 HB ILE 22 HB ILE 22 3.408 -1.456 -13.602 155 1HG1 ILE 22 1HG1 ILE 22 2.764 1.042 -13.683 156 2HG1 ILE 22 2HG1 ILE 22 4.218 1.323 -12.746 157 1HG2 ILE 22 1HG2 ILE 22 2.655 -1.392 -10.976 158 2HG2 ILE 22 2HG2 ILE 22 2.129 0.211 -11.543 159 3HG2 ILE 22 3HG2 ILE 22 1.551 -1.258 -12.365 160 1HD1 ILE 22 1HD1 ILE 22 4.917 -0.477 -14.877 161 2HD1 ILE 22 2HD1 ILE 22 3.986 0.868 -15.578 162 3HD1 ILE 22 3HD1 ILE 22 5.457 1.201 -14.633 163 H HIS 23 H HIS 23 5.767 1.220 -11.541 164 HA HIS 23 HA HIS 23 7.818 1.089 -13.594 165 1HB HIS 23 1HB HIS 23 7.610 3.316 -13.784 166 2HB HIS 23 2HB HIS 23 6.071 3.052 -12.988 167 HD1 HIS 23 HD1 HIS 23 5.694 4.249 -10.800 168 HD2 HIS 23 HD2 HIS 23 9.739 4.152 -11.906 169 HE1 HIS 23 HE1 HIS 23 6.928 5.726 -9.125 170 HE2 HIS 23 HE2 HIS 23 9.416 5.584 -9.823 171 H GLU 24 H GLU 24 7.508 0.083 -10.468 172 HA GLU 24 HA GLU 24 10.339 0.262 -10.096 173 1HB GLU 24 1HB GLU 24 8.738 2.205 -8.851 174 2HB GLU 24 2HB GLU 24 9.004 1.021 -7.586 175 1HG GLU 24 1HG GLU 24 10.796 2.740 -7.591 176 2HG GLU 24 2HG GLU 24 11.450 1.148 -7.922 177 H ILE 25 H ILE 25 10.448 -0.653 -7.406 178 HA ILE 25 HA ILE 25 10.273 -2.480 -6.181 179 HB ILE 25 HB ILE 25 7.595 -2.907 -7.508 180 1HG1 ILE 25 1HG1 ILE 25 7.982 -0.601 -6.502 181 2HG1 ILE 25 2HG1 ILE 25 6.595 -1.500 -5.920 182 1HG2 ILE 25 1HG2 ILE 25 7.278 -3.821 -5.011 183 2HG2 ILE 25 2HG2 ILE 25 7.828 -4.846 -6.358 184 3HG2 ILE 25 3HG2 ILE 25 9.012 -4.164 -5.218 185 1HD1 ILE 25 1HD1 ILE 25 9.250 -1.032 -4.525 186 2HD1 ILE 25 2HD1 ILE 25 7.608 -0.671 -3.940 187 3HD1 ILE 25 3HD1 ILE 25 8.172 -2.358 -4.027 188 H TYR 26 H TYR 26 10.880 -2.386 -9.360 189 HA TYR 26 HA TYR 26 11.260 -3.923 -10.990 190 1HB TYR 26 1HB TYR 26 12.758 -4.766 -8.438 191 2HB TYR 26 2HB TYR 26 13.139 -5.478 -9.993 192 HD1 TYR 26 HD1 TYR 26 13.260 -3.373 -11.897 193 HD2 TYR 26 HD2 TYR 26 14.373 -3.251 -7.768 194 HE1 TYR 26 HE1 TYR 26 14.858 -1.455 -12.378 195 HE2 TYR 26 HE2 TYR 26 15.967 -1.333 -8.262 196 HH TYR 26 HH TYR 26 15.839 0.439 -11.065 197 H ASN 27 H ASN 27 8.771 -4.646 -10.242 198 HA ASN 27 HA ASN 27 7.373 -6.286 -9.817 199 1HB ASN 27 1HB ASN 27 8.501 -6.711 -12.186 200 2HB ASN 27 2HB ASN 27 9.225 -8.104 -11.406 201 1HD2 ASN 27 1HD2 ASN 27 7.232 -7.873 -13.558 202 2HD2 ASN 27 2HD2 ASN 27 5.850 -8.795 -13.068 203 H GLU 28 H GLU 28 8.968 -6.115 -7.577 204 HA GLU 28 HA GLU 28 10.510 -8.326 -6.991 205 1HB GLU 28 1HB GLU 28 9.733 -5.951 -5.705 206 2HB GLU 28 2HB GLU 28 9.112 -7.211 -4.656 207 1HG GLU 28 1HG GLU 28 11.443 -8.313 -4.813 208 2HG GLU 28 2HG GLU 28 11.993 -6.838 -5.582 209 H THR 29 H THR 29 7.269 -7.612 -5.499 210 HA THR 29 HA THR 29 6.187 -10.131 -6.212 211 HB THR 29 HB THR 29 7.990 -10.142 -3.996 212 HG1 THR 29 HG1 THR 29 7.190 -12.359 -4.055 213 1HG2 THR 29 1HG2 THR 29 6.321 -9.352 -2.424 214 2HG2 THR 29 2HG2 THR 29 5.038 -10.295 -3.220 215 3HG2 THR 29 3HG2 THR 29 6.310 -11.128 -2.295 216 H VAL 30 H VAL 30 6.190 -7.377 -3.887 217 HA VAL 30 HA VAL 30 3.652 -7.428 -3.008 218 HB VAL 30 HB VAL 30 3.823 -5.085 -2.701 219 1HG1 VAL 30 1HG1 VAL 30 5.539 -6.670 -1.593 220 2HG1 VAL 30 2HG1 VAL 30 6.719 -5.938 -2.707 221 3HG1 VAL 30 3HG1 VAL 30 5.849 -4.918 -1.536 222 1HG2 VAL 30 1HG2 VAL 30 5.820 -5.132 -4.980 223 2HG2 VAL 30 2HG2 VAL 30 4.262 -4.274 -4.899 224 3HG2 VAL 30 3HG2 VAL 30 5.623 -3.747 -3.879 225 H LYS 31 H LYS 31 4.749 -6.949 -6.323 226 HA LYS 31 HA LYS 31 2.597 -5.608 -7.393 227 1HB LYS 31 1HB LYS 31 4.846 -6.338 -8.437 228 2HB LYS 31 2HB LYS 31 4.035 -7.842 -8.824 229 1HG LYS 31 1HG LYS 31 2.227 -6.533 -9.999 230 2HG LYS 31 2HG LYS 31 3.107 -5.055 -9.663 231 1HD LYS 31 1HD LYS 31 4.155 -5.408 -11.654 232 2HD LYS 31 2HD LYS 31 5.085 -6.630 -10.811 233 1HE LYS 31 1HE LYS 31 4.156 -7.674 -12.794 234 2HE LYS 31 2HE LYS 31 3.305 -8.334 -11.413 235 1HZ LYS 31 1HZ LYS 31 2.055 -7.358 -13.470 236 2HZ LYS 31 2HZ LYS 31 1.427 -7.249 -11.967 237 3HZ LYS 31 3HZ LYS 31 2.185 -5.963 -12.630 238 H THR 32 H THR 32 2.725 -8.733 -5.897 239 HA THR 32 HA THR 32 0.389 -9.718 -7.306 240 HB THR 32 HB THR 32 2.221 -11.267 -6.710 241 HG1 THR 32 HG1 THR 32 -0.022 -11.525 -4.843 242 1HG2 THR 32 1HG2 THR 32 1.711 -11.413 -3.845 243 2HG2 THR 32 2HG2 THR 32 3.269 -11.204 -4.681 244 3HG2 THR 32 3HG2 THR 32 2.286 -9.781 -4.262 245 H GLY 33 H GLY 33 1.245 -8.153 -4.220 246 1HA GLY 33 1HA GLY 33 -0.684 -8.568 -2.502 247 2HA GLY 33 2HA GLY 33 -0.210 -6.935 -2.925 248 H HIS 34 H HIS 34 -1.397 -5.815 -4.713 249 HA HIS 34 HA HIS 34 -3.174 -5.435 -6.014 250 1HB HIS 34 1HB HIS 34 -3.374 -8.029 -6.121 251 2HB HIS 34 2HB HIS 34 -4.655 -7.829 -4.943 252 HD1 HIS 34 HD1 HIS 34 -5.559 -8.980 -7.531 253 HD2 HIS 34 HD2 HIS 34 -5.288 -4.836 -6.941 254 HE1 HIS 34 HE1 HIS 34 -7.103 -7.909 -9.257 255 HE2 HIS 34 HE2 HIS 34 -6.936 -5.366 -8.810 256 H VAL 35 H VAL 35 -3.443 -6.421 -2.610 257 HA VAL 35 HA VAL 35 -4.432 -5.460 -0.882 258 HB VAL 35 HB VAL 35 -5.014 -3.162 -2.761 259 1HG1 VAL 35 1HG1 VAL 35 -4.515 -2.544 0.055 260 2HG1 VAL 35 2HG1 VAL 35 -5.835 -2.017 -1.017 261 3HG1 VAL 35 3HG1 VAL 35 -5.941 -3.583 -0.177 262 1HG2 VAL 35 1HG2 VAL 35 -2.847 -2.637 -2.739 263 2HG2 VAL 35 2HG2 VAL 35 -2.814 -2.692 -0.960 264 3HG2 VAL 35 3HG2 VAL 35 -2.513 -4.172 -1.902 265 H THR 36 H THR 36 -6.411 -4.588 -3.811 266 HA THR 36 HA THR 36 -8.560 -4.918 -4.278 267 HB THR 36 HB THR 36 -7.608 -7.339 -3.904 268 HG1 THR 36 HG1 THR 36 -10.396 -6.475 -3.625 269 1HG2 THR 36 1HG2 THR 36 -7.742 -8.009 -1.697 270 2HG2 THR 36 2HG2 THR 36 -8.909 -6.728 -1.288 271 3HG2 THR 36 3HG2 THR 36 -9.471 -8.231 -2.059 272 H HIS 37 H HIS 37 -7.722 -3.268 -1.895 273 HA HIS 37 HA HIS 37 -10.395 -2.903 -0.933 274 1HB HIS 37 1HB HIS 37 -8.595 -4.497 0.591 275 2HB HIS 37 2HB HIS 37 -8.750 -2.962 1.422 276 HD1 HIS 37 HD1 HIS 37 -10.304 -3.539 3.321 277 HD2 HIS 37 HD2 HIS 37 -11.726 -4.890 -0.387 278 HE1 HIS 37 HE1 HIS 37 -12.653 -4.440 3.742 279 HE2 HIS 37 HE2 HIS 37 -13.497 -5.205 1.418 280 H VAL 38 H VAL 38 -7.311 -1.999 0.685 281 HA VAL 38 HA VAL 38 -6.347 -0.040 1.016 282 HB VAL 38 HB VAL 38 -7.005 -0.145 -1.795 283 1HG1 VAL 38 1HG1 VAL 38 -6.793 2.226 -2.340 284 2HG1 VAL 38 2HG1 VAL 38 -8.228 1.949 -1.323 285 3HG1 VAL 38 3HG1 VAL 38 -6.751 2.641 -0.609 286 1HG2 VAL 38 1HG2 VAL 38 -4.769 0.100 -2.009 287 2HG2 VAL 38 2HG2 VAL 38 -4.705 1.475 -0.881 288 3HG2 VAL 38 3HG2 VAL 38 -4.756 -0.190 -0.253 289 H LYS 39 H LYS 39 -6.860 1.684 2.307 290 HA LYS 39 HA LYS 39 -9.387 3.031 1.867 291 1HB LYS 39 1HB LYS 39 -10.181 1.301 3.280 292 2HB LYS 39 2HB LYS 39 -8.781 1.391 4.330 293 1HG LYS 39 1HG LYS 39 -10.503 2.539 5.521 294 2HG LYS 39 2HG LYS 39 -9.491 3.812 4.868 295 1HD LYS 39 1HD LYS 39 -11.624 2.992 2.992 296 2HD LYS 39 2HD LYS 39 -12.262 3.569 4.518 297 1HE LYS 39 1HE LYS 39 -10.928 5.662 4.308 298 2HE LYS 39 2HE LYS 39 -10.226 5.082 2.811 299 1HZ LYS 39 1HZ LYS 39 -12.008 6.426 2.217 300 2HZ LYS 39 2HZ LYS 39 -12.577 4.910 2.004 301 3HZ LYS 39 3HZ LYS 39 -13.026 5.774 3.315 302 H LEU 40 H LEU 40 -8.414 4.986 1.449 303 HA LEU 40 HA LEU 40 -6.255 5.850 3.164 304 1HB LEU 40 1HB LEU 40 -6.769 6.176 0.528 305 2HB LEU 40 2HB LEU 40 -7.427 7.674 1.154 306 HG LEU 40 HG LEU 40 -4.619 6.765 0.946 307 1HD1 LEU 40 1HD1 LEU 40 -5.514 8.522 -0.485 308 2HD1 LEU 40 2HD1 LEU 40 -5.938 9.494 0.945 309 3HD1 LEU 40 3HD1 LEU 40 -4.231 9.158 0.571 310 1HD2 LEU 40 1HD2 LEU 40 -5.613 8.278 3.368 311 2HD2 LEU 40 2HD2 LEU 40 -4.673 6.767 3.320 312 3HD2 LEU 40 3HD2 LEU 40 -3.920 8.300 2.819 313 H SER 41 H SER 41 -6.398 7.321 4.817 314 HA SER 41 HA SER 41 -8.797 8.879 5.032 315 1HB SER 41 1HB SER 41 -9.685 7.938 6.938 316 2HB SER 41 2HB SER 41 -8.958 6.495 6.259 317 HG SER 41 HG SER 41 -8.495 7.422 8.654 318 H ASP 42 H ASP 42 -8.536 10.117 7.409 319 HA ASP 42 HA ASP 42 -7.402 11.550 8.577 320 1HB ASP 42 1HB ASP 42 -5.040 9.780 7.814 321 2HB ASP 42 2HB ASP 42 -4.859 11.168 8.868 322 H ASP 43 H ASP 43 -7.840 11.872 5.636 323 HA ASP 43 HA ASP 43 -7.382 13.270 4.044 324 1HB ASP 43 1HB ASP 43 -5.970 14.521 6.364 325 2HB ASP 43 2HB ASP 43 -5.435 15.073 4.789 326 H LEU 44 H LEU 44 -6.277 11.248 3.110 327 HA LEU 44 HA LEU 44 -4.500 10.069 2.401 328 1HB LEU 44 1HB LEU 44 -3.052 11.517 0.888 329 2HB LEU 44 2HB LEU 44 -4.768 11.411 0.550 330 HG LEU 44 HG LEU 44 -4.920 13.620 1.955 331 1HD1 LEU 44 1HD1 LEU 44 -1.996 13.596 1.163 332 2HD1 LEU 44 2HD1 LEU 44 -2.896 15.040 1.685 333 3HD1 LEU 44 3HD1 LEU 44 -2.672 13.678 2.807 334 1HD2 LEU 44 1HD2 LEU 44 -3.954 14.756 -0.341 335 2HD2 LEU 44 2HD2 LEU 44 -4.310 13.096 -0.873 336 3HD2 LEU 44 3HD2 LEU 44 -5.590 14.086 -0.130 337 H LEU 45 H LEU 45 -4.104 10.272 5.054 338 HA LEU 45 HA LEU 45 -1.334 11.208 5.314 339 1HB LEU 45 1HB LEU 45 -3.644 11.058 7.208 340 2HB LEU 45 2HB LEU 45 -2.014 10.923 7.837 341 HG LEU 45 HG LEU 45 -3.151 13.253 6.268 342 1HD1 LEU 45 1HD1 LEU 45 -3.261 14.452 8.243 343 2HD1 LEU 45 2HD1 LEU 45 -3.773 12.827 8.758 344 3HD1 LEU 45 3HD1 LEU 45 -2.114 13.383 9.085 345 1HD2 LEU 45 1HD2 LEU 45 -0.363 12.496 6.921 346 2HD2 LEU 45 2HD2 LEU 45 -1.010 13.505 5.605 347 3HD2 LEU 45 3HD2 LEU 45 -0.811 14.189 7.237 348 H HIS 46 H HIS 46 -3.602 8.479 5.599 349 HA HIS 46 HA HIS 46 -1.344 6.703 5.578 350 1HB HIS 46 1HB HIS 46 -3.339 6.231 7.772 351 2HB HIS 46 2HB HIS 46 -1.722 5.583 7.584 352 HD1 HIS 46 HD1 HIS 46 0.181 6.829 8.711 353 HD2 HIS 46 HD2 HIS 46 -3.386 9.035 8.619 354 HE1 HIS 46 HE1 HIS 46 0.576 8.887 10.166 355 HE2 HIS 46 HE2 HIS 46 -1.631 10.232 10.026 356 H VAL 47 H VAL 47 -1.813 5.220 4.041 357 HA VAL 47 HA VAL 47 -4.641 4.789 3.435 358 HB VAL 47 HB VAL 47 -2.679 5.497 1.794 359 1HG1 VAL 47 1HG1 VAL 47 -1.311 3.487 2.328 360 2HG1 VAL 47 2HG1 VAL 47 -2.592 2.466 1.631 361 3HG1 VAL 47 3HG1 VAL 47 -1.715 3.622 0.600 362 1HG2 VAL 47 1HG2 VAL 47 -5.227 4.867 1.447 363 2HG2 VAL 47 2HG2 VAL 47 -4.119 5.024 0.063 364 3HG2 VAL 47 3HG2 VAL 47 -4.531 3.411 0.695 365 H THR 48 H THR 48 -5.601 3.043 4.325 366 HA THR 48 HA THR 48 -3.972 0.952 5.453 367 HB THR 48 HB THR 48 -7.013 1.080 5.203 368 HG1 THR 48 HG1 THR 48 -6.784 2.416 7.156 369 1HG2 THR 48 1HG2 THR 48 -5.849 -0.952 6.282 370 2HG2 THR 48 2HG2 THR 48 -5.215 0.175 7.506 371 3HG2 THR 48 3HG2 THR 48 -6.971 -0.069 7.345 372 H VAL 49 H VAL 49 -2.882 -0.102 3.797 373 HA VAL 49 HA VAL 49 -4.463 -1.134 1.602 374 HB VAL 49 HB VAL 49 -2.269 -1.949 0.804 375 1HG1 VAL 49 1HG1 VAL 49 -1.475 0.792 1.302 376 2HG1 VAL 49 2HG1 VAL 49 -2.042 0.030 -0.203 377 3HG1 VAL 49 3HG1 VAL 49 -3.218 0.696 0.956 378 1HG2 VAL 49 1HG2 VAL 49 -0.771 -0.371 2.821 379 2HG2 VAL 49 2HG2 VAL 49 -1.463 -1.907 3.393 380 3HG2 VAL 49 3HG2 VAL 49 -0.348 -1.896 2.005 381 H TYR 50 H TYR 50 -5.471 -3.070 1.672 382 HA TYR 50 HA TYR 50 -4.694 -4.899 3.818 383 1HB TYR 50 1HB TYR 50 -7.068 -4.660 1.866 384 2HB TYR 50 2HB TYR 50 -6.961 -5.903 3.096 385 HD1 TYR 50 HD1 TYR 50 -6.699 -2.158 2.874 386 HD2 TYR 50 HD2 TYR 50 -8.150 -5.544 5.050 387 HE1 TYR 50 HE1 TYR 50 -7.825 -0.610 4.546 388 HE2 TYR 50 HE2 TYR 50 -9.272 -3.984 6.715 389 HH TYR 50 HH TYR 50 -10.164 -1.327 6.372 390 H LEU 51 H LEU 51 -2.667 -5.243 2.308 391 HA LEU 51 HA LEU 51 -2.645 -6.379 -0.098 392 1HB LEU 51 1HB LEU 51 -1.065 -7.386 2.272 393 2HB LEU 51 2HB LEU 51 -0.650 -7.592 0.582 394 HG LEU 51 HG LEU 51 -0.775 -4.960 2.080 395 1HD1 LEU 51 1HD1 LEU 51 1.506 -4.989 2.268 396 2HD1 LEU 51 2HD1 LEU 51 1.155 -6.728 2.419 397 3HD1 LEU 51 3HD1 LEU 51 1.725 -6.066 0.868 398 1HD2 LEU 51 1HD2 LEU 51 -0.022 -3.868 0.101 399 2HD2 LEU 51 2HD2 LEU 51 0.172 -5.415 -0.758 400 3HD2 LEU 51 3HD2 LEU 51 -1.455 -4.829 -0.334 401 H ASP 52 H ASP 52 -3.621 -8.044 -1.114 402 HA ASP 52 HA ASP 52 -4.590 -10.183 0.616 403 1HB ASP 52 1HB ASP 52 -6.362 -8.712 -0.479 404 2HB ASP 52 2HB ASP 52 -5.776 -9.250 -2.040 405 H CYS 53 H CYS 53 -2.341 -9.264 -1.717 406 HA CYS 53 HA CYS 53 -1.444 -10.276 -3.536 407 1HB CYS 53 1HB CYS 53 -0.086 -12.248 -2.758 408 2HB CYS 53 2HB CYS 53 0.069 -10.805 -1.776 409 HG CYS 53 HG CYS 53 -1.886 -13.433 -1.281 410 H TYR 54 H TYR 54 -1.297 -13.492 -3.087 411 HA TYR 54 HA TYR 54 -3.526 -13.977 -4.875 412 1HB TYR 54 1HB TYR 54 -0.963 -15.248 -3.898 413 2HB TYR 54 2HB TYR 54 -2.222 -16.382 -4.346 414 HD1 TYR 54 HD1 TYR 54 -1.318 -13.093 -5.898 415 HD2 TYR 54 HD2 TYR 54 -1.515 -17.342 -6.356 416 HE1 TYR 54 HE1 TYR 54 -0.657 -12.868 -8.343 417 HE2 TYR 54 HE2 TYR 54 -0.853 -17.103 -8.799 418 HH TYR 54 HH TYR 54 0.339 -14.162 -10.062 419 H ASN 55 H ASN 55 -4.457 -13.215 -2.328 420 HA ASN 55 HA ASN 55 -6.180 -13.940 -1.133 421 1HB ASN 55 1HB ASN 55 -6.067 -16.106 -2.753 422 2HB ASN 55 2HB ASN 55 -5.431 -16.867 -1.307 423 1HD2 ASN 55 1HD2 ASN 55 -7.796 -17.655 -2.453 424 2HD2 ASN 55 2HD2 ASN 55 -9.134 -17.279 -1.420 425 H ARG 56 H ARG 56 -3.524 -13.242 -0.253 426 HA ARG 56 HA ARG 56 -2.321 -13.208 1.543 427 1HB ARG 56 1HB ARG 56 -4.797 -14.457 2.492 428 2HB ARG 56 2HB ARG 56 -3.426 -15.076 3.390 429 1HG ARG 56 1HG ARG 56 -3.886 -13.172 4.647 430 2HG ARG 56 2HG ARG 56 -2.727 -12.503 3.516 431 1HD ARG 56 1HD ARG 56 -4.298 -11.178 2.499 432 2HD ARG 56 2HD ARG 56 -5.494 -12.458 2.465 433 HE ARG 56 HE ARG 56 -5.256 -10.382 4.476 434 1HH1 ARG 56 1HH1 ARG 56 -6.220 -13.735 4.017 435 2HH1 ARG 56 2HH1 ARG 56 -7.310 -13.739 5.363 436 1HH2 ARG 56 1HH2 ARG 56 -6.694 -10.387 6.251 437 2HH2 ARG 56 2HH2 ARG 56 -7.582 -11.822 6.643 438 H GLU 57 H GLU 57 -2.570 -15.724 -0.495 439 HA GLU 57 HA GLU 57 -1.171 -17.702 1.015 440 1HB GLU 57 1HB GLU 57 -1.974 -17.503 -1.917 441 2HB GLU 57 2HB GLU 57 -1.093 -18.871 -1.265 442 1HG GLU 57 1HG GLU 57 -3.057 -18.861 0.556 443 2HG GLU 57 2HG GLU 57 -3.927 -17.992 -0.693 444 H GLN 58 H GLN 58 -0.393 -14.876 -0.843 445 HA GLN 58 HA GLN 58 2.375 -15.794 -0.957 446 1HB GLN 58 1HB GLN 58 0.879 -15.191 -3.155 447 2HB GLN 58 2HB GLN 58 1.503 -13.594 -2.790 448 1HG GLN 58 1HG GLN 58 3.842 -14.628 -2.681 449 2HG GLN 58 2HG GLN 58 3.143 -16.125 -3.264 450 1HE2 GLN 58 1HE2 GLN 58 4.326 -13.038 -4.048 451 2HE2 GLN 58 2HE2 GLN 58 4.011 -13.030 -5.751 452 H ILE 59 H ILE 59 0.358 -14.040 0.871 453 HA ILE 59 HA ILE 59 1.320 -11.459 0.940 454 HB ILE 59 HB ILE 59 -0.567 -12.881 2.251 455 1HG1 ILE 59 1HG1 ILE 59 -0.812 -10.752 3.668 456 2HG1 ILE 59 2HG1 ILE 59 0.613 -10.162 2.837 457 1HG2 ILE 59 1HG2 ILE 59 1.673 -12.404 4.230 458 2HG2 ILE 59 2HG2 ILE 59 -0.024 -12.676 4.694 459 3HG2 ILE 59 3HG2 ILE 59 0.875 -13.943 3.825 460 1HD1 ILE 59 1HD1 ILE 59 -1.515 -9.444 1.727 461 2HD1 ILE 59 2HD1 ILE 59 -0.488 -10.423 0.651 462 3HD1 ILE 59 3HD1 ILE 59 -1.910 -11.155 1.433 463 H ASP 60 H ASP 60 2.448 -14.359 2.811 464 HA ASP 60 HA ASP 60 4.315 -13.332 4.340 465 1HB ASP 60 1HB ASP 60 5.762 -15.439 3.460 466 2HB ASP 60 2HB ASP 60 4.350 -15.631 4.480 467 H ARG 61 H ARG 61 4.493 -13.790 0.771 468 HA ARG 61 HA ARG 61 7.206 -12.959 0.667 469 1HB ARG 61 1HB ARG 61 5.162 -13.251 -1.593 470 2HB ARG 61 2HB ARG 61 6.897 -13.123 -1.800 471 1HG ARG 61 1HG ARG 61 5.786 -15.312 -0.027 472 2HG ARG 61 2HG ARG 61 5.717 -15.509 -1.767 473 1HD ARG 61 1HD ARG 61 8.359 -14.563 -1.144 474 2HD ARG 61 2HD ARG 61 7.995 -15.841 -0.002 475 HE ARG 61 HE ARG 61 7.159 -16.961 -2.358 476 1HH1 ARG 61 1HH1 ARG 61 10.144 -15.329 -1.459 477 2HH1 ARG 61 2HH1 ARG 61 11.118 -16.220 -2.580 478 1HH2 ARG 61 1HH2 ARG 61 8.444 -18.136 -3.837 479 2HH2 ARG 61 2HH2 ARG 61 10.145 -17.827 -3.941 480 H VAL 62 H VAL 62 3.949 -11.573 -0.053 481 HA VAL 62 HA VAL 62 4.877 -9.168 -1.154 482 HB VAL 62 HB VAL 62 2.296 -9.652 0.338 483 1HG1 VAL 62 1HG1 VAL 62 1.719 -7.615 -0.356 484 2HG1 VAL 62 2HG1 VAL 62 3.347 -7.400 -1.041 485 3HG1 VAL 62 3HG1 VAL 62 2.041 -8.073 -2.046 486 1HG2 VAL 62 1HG2 VAL 62 3.303 -10.883 -2.116 487 2HG2 VAL 62 2HG2 VAL 62 1.880 -11.293 -1.129 488 3HG2 VAL 62 3HG2 VAL 62 1.768 -10.017 -2.365 489 H VAL 63 H VAL 63 3.507 -9.828 2.154 490 HA VAL 63 HA VAL 63 4.061 -7.393 3.252 491 HB VAL 63 HB VAL 63 4.190 -10.124 4.548 492 1HG1 VAL 63 1HG1 VAL 63 3.168 -8.023 6.243 493 2HG1 VAL 63 2HG1 VAL 63 4.545 -9.119 6.508 494 3HG1 VAL 63 3HG1 VAL 63 4.784 -7.584 5.638 495 1HG2 VAL 63 1HG2 VAL 63 1.754 -8.659 5.035 496 2HG2 VAL 63 2HG2 VAL 63 2.032 -8.804 3.283 497 3HG2 VAL 63 3HG2 VAL 63 1.979 -10.264 4.299 498 H GLY 64 H GLY 64 6.227 -10.268 2.932 499 1HA GLY 64 1HA GLY 64 8.400 -9.223 4.360 500 2HA GLY 64 2HA GLY 64 8.454 -10.477 3.137 501 H ALA 65 H ALA 65 7.263 -8.766 0.990 502 HA ALA 65 HA ALA 65 9.714 -7.551 0.150 503 1HB ALA 65 1HB ALA 65 6.948 -7.921 -1.034 504 2HB ALA 65 2HB ALA 65 8.197 -6.954 -1.855 505 3HB ALA 65 3HB ALA 65 8.481 -8.681 -1.527 506 H PHE 66 H PHE 66 6.444 -6.472 1.224 507 HA PHE 66 HA PHE 66 6.766 -3.779 0.671 508 1HB PHE 66 1HB PHE 66 5.163 -5.593 2.461 509 2HB PHE 66 2HB PHE 66 5.212 -3.922 2.985 510 HD1 PHE 66 HD1 PHE 66 4.246 -6.137 0.191 511 HD2 PHE 66 HD2 PHE 66 3.948 -2.252 1.871 512 HE1 PHE 66 HE1 PHE 66 2.424 -5.571 -1.441 513 HE2 PHE 66 HE2 PHE 66 2.127 -1.685 0.239 514 HZ PHE 66 HZ PHE 66 1.387 -3.352 -1.397 515 H ASN 67 H ASN 67 8.263 -5.798 3.111 516 HA ASN 67 HA ASN 67 8.722 -3.701 4.945 517 1HB ASN 67 1HB ASN 67 8.905 -6.472 5.022 518 2HB ASN 67 2HB ASN 67 10.599 -6.029 4.940 519 1HD2 ASN 67 1HD2 ASN 67 7.816 -6.272 6.862 520 2HD2 ASN 67 2HD2 ASN 67 8.412 -5.570 8.329 521 H GLN 68 H GLN 68 9.478 -2.818 2.355 522 HA GLN 68 HA GLN 68 12.014 -1.883 2.788 523 1HB GLN 68 1HB GLN 68 13.312 -3.103 1.022 524 2HB GLN 68 2HB GLN 68 12.883 -4.117 2.385 525 1HG GLN 68 1HG GLN 68 11.230 -5.294 1.170 526 2HG GLN 68 2HG GLN 68 11.018 -4.004 0.004 527 1HE2 GLN 68 1HE2 GLN 68 13.048 -6.642 1.069 528 2HE2 GLN 68 2HE2 GLN 68 13.972 -6.846 -0.381 529 H ALA 69 H ALA 69 9.383 -2.793 0.586 530 HA ALA 69 HA ALA 69 10.155 -0.956 -1.464 531 1HB ALA 69 1HB ALA 69 8.920 -2.807 -2.215 532 2HB ALA 69 2HB ALA 69 7.763 -2.707 -0.866 533 3HB ALA 69 3HB ALA 69 7.705 -1.507 -2.179 534 H LYS 70 H LYS 70 8.581 -0.765 1.633 535 HA LYS 70 HA LYS 70 6.730 1.207 1.299 536 1HB LYS 70 1HB LYS 70 8.014 -0.080 3.432 537 2HB LYS 70 2HB LYS 70 8.318 1.625 3.701 538 1HG LYS 70 1HG LYS 70 5.848 2.075 3.375 539 2HG LYS 70 2HG LYS 70 5.583 0.349 3.225 540 1HD LYS 70 1HD LYS 70 7.074 1.360 5.650 541 2HD LYS 70 2HD LYS 70 5.338 1.595 5.587 542 1HE LYS 70 1HE LYS 70 5.329 -0.991 4.892 543 2HE LYS 70 2HE LYS 70 6.900 -0.993 5.670 544 1HZ LYS 70 1HZ LYS 70 4.463 -1.104 6.896 545 2HZ LYS 70 2HZ LYS 70 5.915 -0.937 7.623 546 3HZ LYS 70 3HZ LYS 70 5.033 0.385 7.248 547 H GLY 71 H GLY 71 10.180 1.357 0.800 548 1HA GLY 71 1HA GLY 71 10.708 4.043 1.312 549 2HA GLY 71 2HA GLY 71 11.540 3.024 0.154 550 H VAL 72 H VAL 72 9.571 2.405 -1.728 551 HA VAL 72 HA VAL 72 9.392 4.904 -3.104 552 HB VAL 72 HB VAL 72 8.238 3.408 -4.814 553 1HG1 VAL 72 1HG1 VAL 72 10.815 2.086 -4.427 554 2HG1 VAL 72 2HG1 VAL 72 10.272 3.178 -5.724 555 3HG1 VAL 72 3HG1 VAL 72 10.917 3.850 -4.207 556 1HG2 VAL 72 1HG2 VAL 72 8.242 1.067 -4.552 557 2HG2 VAL 72 2HG2 VAL 72 9.301 1.138 -3.123 558 3HG2 VAL 72 3HG2 VAL 72 7.613 1.690 -3.008 559 H PHE 73 H PHE 73 7.160 2.645 -1.417 560 HA PHE 73 HA PHE 73 4.775 3.756 -2.225 561 1HB PHE 73 1HB PHE 73 5.638 2.671 0.524 562 2HB PHE 73 2HB PHE 73 3.981 2.740 -0.043 563 HD1 PHE 73 HD1 PHE 73 5.263 1.927 -2.966 564 HD2 PHE 73 HD2 PHE 73 5.084 0.234 0.921 565 HE1 PHE 73 HE1 PHE 73 5.505 -0.368 -3.954 566 HE2 PHE 73 HE2 PHE 73 5.326 -2.061 -0.067 567 HZ PHE 73 HZ PHE 73 5.533 -2.334 -2.493 568 H SER 74 H SER 74 6.964 4.694 0.495 569 HA SER 74 HA SER 74 5.186 6.671 1.423 570 1HB SER 74 1HB SER 74 8.117 6.055 1.942 571 2HB SER 74 2HB SER 74 7.334 7.440 2.677 572 HG SER 74 HG SER 74 7.365 5.092 3.730 573 H ARG 75 H ARG 75 7.772 6.493 -0.997 574 HA ARG 75 HA ARG 75 8.247 9.248 -1.113 575 1HB ARG 75 1HB ARG 75 9.351 6.922 -2.254 576 2HB ARG 75 2HB ARG 75 8.698 7.775 -3.638 577 1HG ARG 75 1HG ARG 75 10.156 9.570 -3.411 578 2HG ARG 75 2HG ARG 75 10.221 9.442 -1.664 579 1HD ARG 75 1HD ARG 75 12.196 8.338 -1.844 580 2HD ARG 75 2HD ARG 75 11.367 7.022 -2.651 581 HE ARG 75 HE ARG 75 11.927 9.246 -4.457 582 1HH1 ARG 75 1HH1 ARG 75 13.292 6.358 -2.982 583 2HH1 ARG 75 2HH1 ARG 75 14.469 6.122 -4.231 584 1HH2 ARG 75 1HH2 ARG 75 13.479 8.935 -6.105 585 2HH2 ARG 75 2HH2 ARG 75 14.576 7.597 -6.019 586 H VAL 76 H VAL 76 5.912 7.012 -2.616 587 HA VAL 76 HA VAL 76 5.097 8.416 -4.805 588 HB VAL 76 HB VAL 76 3.518 6.787 -2.809 589 1HG1 VAL 76 1HG1 VAL 76 2.118 6.509 -5.103 590 2HG1 VAL 76 2HG1 VAL 76 1.729 7.718 -3.855 591 3HG1 VAL 76 3HG1 VAL 76 2.672 8.190 -5.290 592 1HG2 VAL 76 1HG2 VAL 76 3.881 5.495 -5.329 593 2HG2 VAL 76 2HG2 VAL 76 5.464 6.107 -4.791 594 3HG2 VAL 76 3HG2 VAL 76 4.522 5.027 -3.736 595 H LEU 77 H LEU 77 3.665 8.677 -1.469 596 HA LEU 77 HA LEU 77 2.187 10.988 -2.187 597 1HB LEU 77 1HB LEU 77 2.825 10.181 0.629 598 2HB LEU 77 2HB LEU 77 1.384 10.952 -0.006 599 HG LEU 77 HG LEU 77 1.525 8.463 -1.315 600 1HD1 LEU 77 1HD1 LEU 77 3.135 8.166 0.861 601 2HD1 LEU 77 2HD1 LEU 77 1.555 7.688 1.529 602 3HD1 LEU 77 3HD1 LEU 77 2.205 6.855 0.096 603 1HD2 LEU 77 1HD2 LEU 77 -0.302 10.011 0.162 604 2HD2 LEU 77 2HD2 LEU 77 -0.631 8.554 -0.806 605 3HD2 LEU 77 3HD2 LEU 77 -0.277 8.406 0.932 606 H ALA 78 H ALA 78 5.410 10.335 -0.825 607 HA ALA 78 HA ALA 78 6.034 12.690 0.358 608 1HB ALA 78 1HB ALA 78 7.840 11.162 -1.555 609 2HB ALA 78 2HB ALA 78 8.332 12.149 -0.158 610 3HB ALA 78 3HB ALA 78 7.458 10.620 0.097 611 H HIS 79 H HIS 79 5.908 11.951 -3.171 612 HA HIS 79 HA HIS 79 7.053 14.087 -4.264 613 1HB HIS 79 1HB HIS 79 5.270 12.122 -5.085 614 2HB HIS 79 2HB HIS 79 4.420 13.610 -5.456 615 HD1 HIS 79 HD1 HIS 79 5.480 11.751 -7.711 616 HD2 HIS 79 HD2 HIS 79 7.564 15.060 -6.194 617 HE1 HIS 79 HE1 HIS 79 7.114 12.464 -9.536 618 HE2 HIS 79 HE2 HIS 79 8.328 14.534 -8.568 619 H ASN 80 H ASN 80 4.088 14.063 -2.319 620 HA ASN 80 HA ASN 80 3.739 16.881 -2.937 621 1HB ASN 80 1HB ASN 80 1.928 14.689 -1.899 622 2HB ASN 80 2HB ASN 80 1.565 16.337 -1.426 623 1HD2 ASN 80 1HD2 ASN 80 1.046 17.887 -2.979 624 2HD2 ASN 80 2HD2 ASN 80 0.495 17.473 -4.568 625 H LEU 81 H LEU 81 3.021 14.774 -0.051 626 HA LEU 81 HA LEU 81 3.648 16.807 1.784 627 1HB LEU 81 1HB LEU 81 2.770 14.014 1.818 628 2HB LEU 81 2HB LEU 81 3.792 14.436 3.178 629 HG LEU 81 HG LEU 81 1.626 14.813 3.950 630 1HD1 LEU 81 1HD1 LEU 81 2.157 17.611 3.016 631 2HD1 LEU 81 2HD1 LEU 81 1.646 17.015 4.613 632 3HD1 LEU 81 3HD1 LEU 81 3.331 16.800 4.079 633 1HD2 LEU 81 1HD2 LEU 81 0.517 16.638 1.988 634 2HD2 LEU 81 2HD2 LEU 81 0.949 15.076 1.253 635 3HD2 LEU 81 3HD2 LEU 81 -0.150 15.127 2.652 636 H TYR 82 H TYR 82 5.253 15.527 3.738 637 HA TYR 82 HA TYR 82 7.692 14.635 2.585 638 1HB TYR 82 1HB TYR 82 7.576 17.180 2.113 639 2HB TYR 82 2HB TYR 82 7.482 17.441 3.844 640 HD1 TYR 82 HD1 TYR 82 9.660 15.295 1.653 641 HD2 TYR 82 HD2 TYR 82 9.456 18.313 4.679 642 HE1 TYR 82 HE1 TYR 82 12.198 15.338 1.791 643 HE2 TYR 82 HE2 TYR 82 11.995 18.346 4.807 644 HH TYR 82 HH TYR 82 13.846 16.535 4.271 645 H LEU 83 H LEU 83 9.448 14.479 4.333 646 HA LEU 83 HA LEU 83 10.104 14.195 6.465 647 1HB LEU 83 1HB LEU 83 8.319 15.939 7.040 648 2HB LEU 83 2HB LEU 83 7.284 14.583 7.442 649 HG LEU 83 HG LEU 83 10.006 14.940 8.703 650 1HD1 LEU 83 1HD1 LEU 83 7.365 16.130 9.574 651 2HD1 LEU 83 2HD1 LEU 83 8.765 15.931 10.655 652 3HD1 LEU 83 3HD1 LEU 83 8.890 16.976 9.219 653 1HD2 LEU 83 1HD2 LEU 83 8.904 12.711 8.826 654 2HD2 LEU 83 2HD2 LEU 83 9.173 13.471 10.413 655 3HD2 LEU 83 3HD2 LEU 83 7.547 13.472 9.690 656 H ALA 84 H ALA 84 6.744 12.946 6.839 657 HA ALA 84 HA ALA 84 6.945 10.461 5.845 658 1HB ALA 84 1HB ALA 84 8.733 9.568 6.931 659 2HB ALA 84 2HB ALA 84 8.669 10.773 8.239 660 3HB ALA 84 3HB ALA 84 7.581 9.365 8.273 661 H LYS 85 H LYS 85 6.390 11.816 9.179 662 HA LYS 85 HA LYS 85 4.083 10.411 9.698 663 1HB LYS 85 1HB LYS 85 4.876 13.183 10.639 664 2HB LYS 85 2HB LYS 85 3.631 12.185 11.364 665 1HG LYS 85 1HG LYS 85 6.511 11.233 11.040 666 2HG LYS 85 2HG LYS 85 5.958 12.088 12.466 667 1HD LYS 85 1HD LYS 85 4.701 10.301 13.233 668 2HD LYS 85 2HD LYS 85 4.255 9.779 11.620 669 1HE LYS 85 1HE LYS 85 5.766 8.095 11.965 670 2HE LYS 85 2HE LYS 85 6.973 9.303 11.570 671 1HZ LYS 85 1HZ LYS 85 6.680 7.992 13.947 672 2HZ LYS 85 2HZ LYS 85 7.695 9.233 13.634 673 3HZ LYS 85 3HZ LYS 85 6.217 9.526 14.263 674 H ALA 86 H ALA 86 4.654 13.174 7.572 675 HA ALA 86 HA ALA 86 2.002 14.085 7.430 676 1HB ALA 86 1HB ALA 86 3.988 14.216 5.153 677 2HB ALA 86 2HB ALA 86 2.793 15.429 5.672 678 3HB ALA 86 3HB ALA 86 4.254 15.146 6.647 679 H VAL 87 H VAL 87 3.519 11.162 6.379 680 HA VAL 87 HA VAL 87 1.327 9.858 5.603 681 HB VAL 87 HB VAL 87 0.623 11.276 3.934 682 1HG1 VAL 87 1HG1 VAL 87 2.753 11.797 2.169 683 2HG1 VAL 87 2HG1 VAL 87 1.966 12.938 3.287 684 3HG1 VAL 87 3HG1 VAL 87 3.414 12.041 3.804 685 1HG2 VAL 87 1HG2 VAL 87 0.886 8.929 3.124 686 2HG2 VAL 87 2HG2 VAL 87 0.937 10.143 1.823 687 3HG2 VAL 87 3HG2 VAL 87 2.445 9.393 2.400 688 H GLN 88 H GLN 88 1.973 7.759 5.501 689 HA GLN 88 HA GLN 88 4.475 7.183 4.205 690 1HB GLN 88 1HB GLN 88 5.458 6.025 6.098 691 2HB GLN 88 2HB GLN 88 5.063 7.656 6.601 692 1HG GLN 88 1HG GLN 88 3.524 6.940 8.132 693 2HG GLN 88 2HG GLN 88 2.817 5.786 7.019 694 1HE2 GLN 88 1HE2 GLN 88 2.745 3.959 8.118 695 2HE2 GLN 88 2HE2 GLN 88 4.081 3.156 8.875 696 H ILE 89 H ILE 89 1.384 6.701 4.125 697 HA ILE 89 HA ILE 89 0.003 5.073 3.565 698 HB ILE 89 HB ILE 89 2.633 4.106 2.595 699 1HG1 ILE 89 1HG1 ILE 89 -0.027 4.477 1.191 700 2HG1 ILE 89 2HG1 ILE 89 1.158 5.752 1.394 701 1HG2 ILE 89 1HG2 ILE 89 0.318 2.316 3.137 702 2HG2 ILE 89 2HG2 ILE 89 1.146 2.137 1.571 703 3HG2 ILE 89 3HG2 ILE 89 2.063 1.965 3.087 704 1HD1 ILE 89 1HD1 ILE 89 2.862 4.351 0.207 705 2HD1 ILE 89 2HD1 ILE 89 1.624 3.095 -0.037 706 3HD1 ILE 89 3HD1 ILE 89 1.439 4.689 -0.808 707 H HIS 90 H HIS 90 -1.124 3.322 4.490 708 HA HIS 90 HA HIS 90 0.133 2.359 6.947 709 1HB HIS 90 1HB HIS 90 -1.992 3.708 7.074 710 2HB HIS 90 2HB HIS 90 -2.811 2.405 6.235 711 HD1 HIS 90 HD1 HIS 90 -2.706 3.585 9.463 712 HD2 HIS 90 HD2 HIS 90 -1.875 -0.206 7.872 713 HE1 HIS 90 HE1 HIS 90 -2.968 1.929 11.387 714 HE2 HIS 90 HE2 HIS 90 -2.498 -0.389 10.335 715 H PHE 91 H PHE 91 0.667 0.231 7.142 716 HA PHE 91 HA PHE 91 -0.107 -1.492 4.923 717 1HB PHE 91 1HB PHE 91 2.313 -1.169 5.644 718 2HB PHE 91 2HB PHE 91 1.898 -1.749 7.245 719 HD1 PHE 91 HD1 PHE 91 0.069 -3.538 4.807 720 HD2 PHE 91 HD2 PHE 91 3.904 -3.284 6.606 721 HE1 PHE 91 HE1 PHE 91 0.564 -5.889 4.083 722 HE2 PHE 91 HE2 PHE 91 4.399 -5.636 5.883 723 HZ PHE 91 HZ PHE 91 2.723 -6.911 4.630 724 H VAL 92 H VAL 92 -1.728 -2.951 5.163 725 HA VAL 92 HA VAL 92 -2.300 -3.842 7.905 726 HB VAL 92 HB VAL 92 -4.098 -2.955 5.676 727 1HG1 VAL 92 1HG1 VAL 92 -5.060 -5.064 6.045 728 2HG1 VAL 92 2HG1 VAL 92 -4.724 -5.017 7.792 729 3HG1 VAL 92 3HG1 VAL 92 -5.992 -3.976 7.102 730 1HG2 VAL 92 1HG2 VAL 92 -5.291 -2.041 7.837 731 2HG2 VAL 92 2HG2 VAL 92 -3.698 -2.312 8.582 732 3HG2 VAL 92 3HG2 VAL 92 -3.852 -1.222 7.184 733 H LYS 93 H LYS 93 -3.107 -6.062 8.089 734 HA LYS 93 HA LYS 93 -2.947 -7.723 5.753 735 1HB LYS 93 1HB LYS 93 -1.205 -9.196 7.127 736 2HB LYS 93 2HB LYS 93 -0.702 -7.981 5.970 737 1HG LYS 93 1HG LYS 93 0.063 -6.530 7.603 738 2HG LYS 93 2HG LYS 93 -1.192 -6.974 8.743 739 1HD LYS 93 1HD LYS 93 1.104 -8.848 8.019 740 2HD LYS 93 2HD LYS 93 1.201 -7.708 9.346 741 1HE LYS 93 1HE LYS 93 0.135 -9.201 10.677 742 2HE LYS 93 2HE LYS 93 -1.295 -9.048 9.674 743 1HZ LYS 93 1HZ LYS 93 0.936 -10.885 9.134 744 2HZ LYS 93 2HZ LYS 93 -0.495 -11.312 9.796 745 3HZ LYS 93 3HZ LYS 93 -0.438 -10.768 8.258 746 H ASP 94 H ASP 94 -3.082 -7.462 9.353 747 HA ASP 94 HA ASP 94 -5.465 -9.039 9.274 748 1HB ASP 94 1HB ASP 94 -3.039 -9.923 10.907 749 2HB ASP 94 2HB ASP 94 -4.636 -10.635 11.026 750 H LYS 95 H LYS 95 -5.217 -6.339 9.861 751 HA LYS 95 HA LYS 95 -4.808 -6.035 12.710 752 1HB LYS 95 1HB LYS 95 -5.043 -3.668 12.284 753 2HB LYS 95 2HB LYS 95 -3.922 -4.365 11.131 754 1HG LYS 95 1HG LYS 95 -5.246 -3.822 9.358 755 2HG LYS 95 2HG LYS 95 -6.678 -4.482 10.123 756 1HD LYS 95 1HD LYS 95 -6.103 -2.138 11.605 757 2HD LYS 95 2HD LYS 95 -5.795 -1.689 9.939 758 1HE LYS 95 1HE LYS 95 -8.070 -1.294 9.946 759 2HE LYS 95 2HE LYS 95 -8.135 -3.001 9.557 760 1HZ LYS 95 1HZ LYS 95 -9.321 -3.194 11.390 761 2HZ LYS 95 2HZ LYS 95 -7.966 -2.927 12.260 762 3HZ LYS 95 3HZ LYS 95 -8.969 -1.687 11.911 763 H ALA 96 H ALA 96 -6.784 -7.889 12.352 764 HA ALA 96 HA ALA 96 -8.998 -6.551 13.566 765 1HB ALA 96 1HB ALA 96 -10.470 -7.813 11.667 766 2HB ALA 96 2HB ALA 96 -9.994 -6.101 11.558 767 3HB ALA 96 3HB ALA 96 -9.056 -7.343 10.693 768 H ILE 97 H ILE 97 -8.648 -9.585 11.603 769 HA ILE 97 HA ILE 97 -8.104 -11.231 13.790 770 HB ILE 97 HB ILE 97 -10.366 -10.544 14.483 771 1HG1 ILE 97 1HG1 ILE 97 -11.111 -12.720 15.102 772 2HG1 ILE 97 2HG1 ILE 97 -10.342 -13.469 13.716 773 1HG2 ILE 97 1HG2 ILE 97 -11.879 -10.226 12.875 774 2HG2 ILE 97 2HG2 ILE 97 -10.989 -11.236 11.712 775 3HG2 ILE 97 3HG2 ILE 97 -12.091 -11.993 12.887 776 1HD1 ILE 97 1HD1 ILE 97 -8.164 -13.207 14.608 777 2HD1 ILE 97 2HD1 ILE 97 -8.677 -11.920 15.725 778 3HD1 ILE 97 3HD1 ILE 97 -9.143 -13.610 16.039 779 H ASP 98 H ASP 98 -7.155 -10.758 11.132 780 HA ASP 98 HA ASP 98 -6.709 -11.740 9.239 781 1HB ASP 98 1HB ASP 98 -5.604 -13.315 10.789 782 2HB ASP 98 2HB ASP 98 -7.092 -14.221 10.978 783 H ASN 99 H ASN 99 -9.630 -11.250 9.866 784 HA ASN 99 HA ASN 99 -11.653 -11.832 9.265 785 1HB ASN 99 1HB ASN 99 -10.202 -11.256 7.045 786 2HB ASN 99 2HB ASN 99 -10.619 -12.909 6.637 787 1HD2 ASN 99 1HD2 ASN 99 -11.758 -9.682 7.177 788 2HD2 ASN 99 2HD2 ASN 99 -13.377 -9.875 6.592 789 H ALA 100 H ALA 100 -10.948 -13.849 10.877 790 HA ALA 100 HA ALA 100 -11.963 -16.212 9.521 791 1HB ALA 100 1HB ALA 100 -9.554 -16.527 11.302 792 2HB ALA 100 2HB ALA 100 -10.151 -17.588 10.003 793 3HB ALA 100 3HB ALA 100 -9.324 -16.064 9.599 794 H MET 101 H MET 101 -10.394 -15.425 12.704 795 HA MET 101 HA MET 101 -11.326 -15.166 14.693 796 1HB MET 101 1HB MET 101 -13.556 -14.735 13.179 797 2HB MET 101 2HB MET 101 -14.024 -16.269 13.884 798 1HG MET 101 1HG MET 101 -14.618 -15.195 15.793 799 2HG MET 101 2HG MET 101 -12.950 -14.713 16.031 800 1HE MET 101 1HE MET 101 -14.749 -12.711 17.282 801 2HE MET 101 2HE MET 101 -15.749 -11.670 16.240 802 3HE MET 101 3HE MET 101 -16.106 -13.410 16.366 Start of MODEL 8 1 H LYS 6 H LYS 6 -16.724 0.202 -7.459 2 HA LYS 6 HA LYS 6 -16.825 2.894 -8.350 3 1HB LYS 6 1HB LYS 6 -16.248 1.479 -5.771 4 2HB LYS 6 2HB LYS 6 -15.782 3.161 -5.929 5 1HG LYS 6 1HG LYS 6 -17.943 3.886 -5.825 6 2HG LYS 6 2HG LYS 6 -18.491 2.689 -6.980 7 1HD LYS 6 1HD LYS 6 -17.992 1.073 -4.813 8 2HD LYS 6 2HD LYS 6 -18.432 2.558 -3.994 9 1HE LYS 6 1HE LYS 6 -20.166 1.593 -6.279 10 2HE LYS 6 2HE LYS 6 -20.303 0.796 -4.724 11 1HZ LYS 6 1HZ LYS 6 -20.612 3.681 -5.196 12 2HZ LYS 6 2HZ LYS 6 -21.816 2.624 -4.877 13 3HZ LYS 6 3HZ LYS 6 -20.701 2.961 -3.733 14 H GLU 7 H GLU 7 -14.707 4.227 -7.229 15 HA GLU 7 HA GLU 7 -12.244 3.040 -7.809 16 1HB GLU 7 1HB GLU 7 -12.374 3.243 -10.092 17 2HB GLU 7 2HB GLU 7 -13.615 4.478 -10.024 18 1HG GLU 7 1HG GLU 7 -12.051 6.231 -9.718 19 2HG GLU 7 2HG GLU 7 -10.811 5.157 -9.104 20 H ARG 8 H ARG 8 -13.526 6.381 -8.458 21 HA ARG 8 HA ARG 8 -12.833 8.308 -7.705 22 1HB ARG 8 1HB ARG 8 -13.032 8.522 -5.137 23 2HB ARG 8 2HB ARG 8 -14.442 7.903 -5.972 24 1HG ARG 8 1HG ARG 8 -13.761 5.569 -5.433 25 2HG ARG 8 2HG ARG 8 -12.313 6.161 -4.641 26 1HD ARG 8 1HD ARG 8 -13.451 6.805 -2.746 27 2HD ARG 8 2HD ARG 8 -14.816 7.427 -3.651 28 HE ARG 8 HE ARG 8 -15.123 4.739 -4.023 29 1HH1 ARG 8 1HH1 ARG 8 -14.507 6.631 -1.120 30 2HH1 ARG 8 2HH1 ARG 8 -15.321 5.520 -0.070 31 1HH2 ARG 8 1HH2 ARG 8 -16.197 3.273 -2.637 32 2HH2 ARG 8 2HH2 ARG 8 -16.288 3.597 -0.938 33 H LEU 9 H LEU 9 -11.360 9.244 -5.492 34 HA LEU 9 HA LEU 9 -8.785 9.078 -6.284 35 1HB LEU 9 1HB LEU 9 -8.287 10.288 -4.443 36 2HB LEU 9 2HB LEU 9 -10.026 10.506 -4.479 37 HG LEU 9 HG LEU 9 -8.879 8.263 -2.849 38 1HD1 LEU 9 1HD1 LEU 9 -8.607 9.748 -0.921 39 2HD1 LEU 9 2HD1 LEU 9 -7.499 10.183 -2.244 40 3HD1 LEU 9 3HD1 LEU 9 -8.960 11.157 -1.951 41 1HD2 LEU 9 1HD2 LEU 9 -11.245 10.085 -2.350 42 2HD2 LEU 9 2HD2 LEU 9 -11.335 8.528 -3.208 43 3HD2 LEU 9 3HD2 LEU 9 -10.834 8.575 -1.501 44 H GLU 10 H GLU 10 -10.561 6.822 -4.131 45 HA GLU 10 HA GLU 10 -8.621 5.404 -3.026 46 1HB GLU 10 1HB GLU 10 -11.158 4.997 -2.998 47 2HB GLU 10 2HB GLU 10 -10.945 4.060 -4.464 48 1HG GLU 10 1HG GLU 10 -9.044 2.837 -3.023 49 2HG GLU 10 2HG GLU 10 -9.966 3.460 -1.669 50 H ASN 11 H ASN 11 -10.029 4.314 -6.202 51 HA ASN 11 HA ASN 11 -8.156 2.504 -6.815 52 1HB ASN 11 1HB ASN 11 -10.313 3.540 -8.120 53 2HB ASN 11 2HB ASN 11 -9.051 4.305 -9.064 54 1HD2 ASN 11 1HD2 ASN 11 -10.959 1.628 -8.736 55 2HD2 ASN 11 2HD2 ASN 11 -10.080 0.477 -9.685 56 H ASP 12 H ASP 12 -8.063 6.081 -7.211 57 HA ASP 12 HA ASP 12 -5.928 6.336 -8.860 58 1HB ASP 12 1HB ASP 12 -7.512 8.056 -7.477 59 2HB ASP 12 2HB ASP 12 -6.079 8.162 -6.474 60 H ILE 13 H ILE 13 -5.883 6.573 -5.213 61 HA ILE 13 HA ILE 13 -3.197 6.621 -4.829 62 HB ILE 13 HB ILE 13 -5.310 5.266 -3.150 63 1HG1 ILE 13 1HG1 ILE 13 -4.597 7.716 -2.016 64 2HG1 ILE 13 2HG1 ILE 13 -4.697 8.059 -3.731 65 1HG2 ILE 13 1HG2 ILE 13 -3.847 5.125 -1.388 66 2HG2 ILE 13 2HG2 ILE 13 -2.756 4.781 -2.752 67 3HG2 ILE 13 3HG2 ILE 13 -2.782 6.403 -2.019 68 1HD1 ILE 13 1HD1 ILE 13 -6.931 6.443 -3.322 69 2HD1 ILE 13 2HD1 ILE 13 -6.849 7.399 -1.823 70 3HD1 ILE 13 3HD1 ILE 13 -6.943 8.221 -3.399 71 H ILE 14 H ILE 14 -5.288 3.810 -5.577 72 HA ILE 14 HA ILE 14 -3.344 1.854 -5.060 73 HB ILE 14 HB ILE 14 -5.960 2.024 -6.442 74 1HG1 ILE 14 1HG1 ILE 14 -6.521 0.216 -4.932 75 2HG1 ILE 14 2HG1 ILE 14 -4.844 0.020 -4.462 76 1HG2 ILE 14 1HG2 ILE 14 -4.707 0.852 -8.137 77 2HG2 ILE 14 2HG2 ILE 14 -4.013 -0.247 -6.921 78 3HG2 ILE 14 3HG2 ILE 14 -5.756 -0.300 -7.277 79 1HD1 ILE 14 1HD1 ILE 14 -6.632 2.429 -3.926 80 2HD1 ILE 14 2HD1 ILE 14 -5.921 1.319 -2.730 81 3HD1 ILE 14 3HD1 ILE 14 -4.876 2.437 -3.639 82 H ARG 15 H ARG 15 -4.149 3.845 -7.940 83 HA ARG 15 HA ARG 15 -2.448 2.431 -9.642 84 1HB ARG 15 1HB ARG 15 -4.126 3.770 -10.690 85 2HB ARG 15 2HB ARG 15 -3.752 5.175 -9.711 86 1HG ARG 15 1HG ARG 15 -1.604 5.482 -10.879 87 2HG ARG 15 2HG ARG 15 -1.833 3.992 -11.771 88 1HD ARG 15 1HD ARG 15 -2.993 5.110 -13.370 89 2HD ARG 15 2HD ARG 15 -4.193 5.586 -12.184 90 HE ARG 15 HE ARG 15 -2.186 7.375 -11.669 91 1HH1 ARG 15 1HH1 ARG 15 -3.730 6.381 -14.671 92 2HH1 ARG 15 2HH1 ARG 15 -3.480 7.906 -15.454 93 1HH2 ARG 15 1HH2 ARG 15 -1.855 9.387 -12.702 94 2HH2 ARG 15 2HH2 ARG 15 -2.406 9.627 -14.326 95 H LEU 16 H LEU 16 -1.954 4.857 -7.157 96 HA LEU 16 HA LEU 16 0.417 5.997 -8.164 97 1HB LEU 16 1HB LEU 16 -1.202 6.087 -5.740 98 2HB LEU 16 2HB LEU 16 0.515 6.195 -5.402 99 HG LEU 16 HG LEU 16 -0.274 8.413 -5.597 100 1HD1 LEU 16 1HD1 LEU 16 1.117 9.330 -7.250 101 2HD1 LEU 16 2HD1 LEU 16 1.869 7.773 -6.829 102 3HD1 LEU 16 3HD1 LEU 16 0.918 7.925 -8.326 103 1HD2 LEU 16 1HD2 LEU 16 -1.438 7.880 -8.330 104 2HD2 LEU 16 2HD2 LEU 16 -2.390 7.705 -6.836 105 3HD2 LEU 16 3HD2 LEU 16 -1.684 9.283 -7.263 106 H ILE 17 H ILE 17 0.036 3.732 -5.345 107 HA ILE 17 HA ILE 17 2.708 3.036 -5.251 108 HB ILE 17 HB ILE 17 0.154 1.918 -4.225 109 1HG1 ILE 17 1HG1 ILE 17 1.253 3.702 -3.009 110 2HG1 ILE 17 2HG1 ILE 17 1.295 2.223 -2.071 111 1HG2 ILE 17 1HG2 ILE 17 2.739 0.365 -4.370 112 2HG2 ILE 17 2HG2 ILE 17 1.510 0.065 -3.118 113 3HG2 ILE 17 3HG2 ILE 17 1.100 -0.147 -4.837 114 1HD1 ILE 17 1HD1 ILE 17 3.539 2.466 -1.907 115 2HD1 ILE 17 2HD1 ILE 17 3.650 2.158 -3.657 116 3HD1 ILE 17 3HD1 ILE 17 3.515 3.827 -3.054 117 H ASN 18 H ASN 18 0.214 2.159 -7.532 118 HA ASN 18 HA ASN 18 1.365 -0.288 -8.302 119 1HB ASN 18 1HB ASN 18 -0.904 1.399 -9.068 120 2HB ASN 18 2HB ASN 18 -0.087 0.819 -10.506 121 1HD2 ASN 18 1HD2 ASN 18 -0.717 -1.044 -11.260 122 2HD2 ASN 18 2HD2 ASN 18 -1.452 -2.344 -10.382 123 H ARG 19 H ARG 19 1.420 3.134 -9.503 124 HA ARG 19 HA ARG 19 2.826 2.710 -11.801 125 1HB ARG 19 1HB ARG 19 2.378 5.017 -9.939 126 2HB ARG 19 2HB ARG 19 3.738 5.188 -11.031 127 1HG ARG 19 1HG ARG 19 1.385 4.125 -12.432 128 2HG ARG 19 2HG ARG 19 1.014 5.643 -11.638 129 1HD ARG 19 1HD ARG 19 2.107 6.775 -13.272 130 2HD ARG 19 2HD ARG 19 3.599 5.956 -12.855 131 HE ARG 19 HE ARG 19 2.328 4.042 -14.344 132 1HH1 ARG 19 1HH1 ARG 19 2.915 7.462 -14.925 133 2HH1 ARG 19 2HH1 ARG 19 2.966 7.291 -16.648 134 1HH2 ARG 19 1HH2 ARG 19 2.396 3.816 -16.617 135 2HH2 ARG 19 2HH2 ARG 19 2.669 5.203 -17.617 136 H THR 20 H THR 20 3.871 2.709 -8.422 137 HA THR 20 HA THR 20 6.644 3.130 -8.958 138 HB THR 20 HB THR 20 4.821 2.796 -6.690 139 HG1 THR 20 HG1 THR 20 6.802 3.949 -5.807 140 1HG2 THR 20 1HG2 THR 20 5.886 0.667 -6.193 141 2HG2 THR 20 2HG2 THR 20 7.481 1.288 -6.678 142 3HG2 THR 20 3HG2 THR 20 6.709 1.886 -5.190 143 H VAL 21 H VAL 21 4.889 0.174 -7.785 144 HA VAL 21 HA VAL 21 7.000 -1.544 -8.232 145 HB VAL 21 HB VAL 21 4.072 -2.230 -8.498 146 1HG1 VAL 21 1HG1 VAL 21 5.652 -4.044 -8.997 147 2HG1 VAL 21 2HG1 VAL 21 6.439 -3.800 -7.419 148 3HG1 VAL 21 3HG1 VAL 21 4.753 -4.364 -7.495 149 1HG2 VAL 21 1HG2 VAL 21 3.907 -1.105 -6.517 150 2HG2 VAL 21 2HG2 VAL 21 4.501 -2.663 -5.892 151 3HG2 VAL 21 3HG2 VAL 21 5.632 -1.308 -6.126 152 H ILE 22 H ILE 22 4.926 0.109 -10.495 153 HA ILE 22 HA ILE 22 4.877 -1.677 -12.598 154 HB ILE 22 HB ILE 22 4.433 1.153 -12.143 155 1HG1 ILE 22 1HG1 ILE 22 2.609 -0.374 -12.447 156 2HG1 ILE 22 2HG1 ILE 22 2.626 0.746 -13.795 157 1HG2 ILE 22 1HG2 ILE 22 4.755 1.953 -14.401 158 2HG2 ILE 22 2HG2 ILE 22 6.304 1.369 -13.746 159 3HG2 ILE 22 3HG2 ILE 22 5.396 0.371 -14.907 160 1HD1 ILE 22 1HD1 ILE 22 4.307 -1.482 -14.505 161 2HD1 ILE 22 2HD1 ILE 22 2.772 -2.123 -13.871 162 3HD1 ILE 22 3HD1 ILE 22 2.764 -0.987 -15.241 163 H HIS 23 H HIS 23 7.446 0.583 -11.498 164 HA HIS 23 HA HIS 23 9.291 -0.933 -13.151 165 1HB HIS 23 1HB HIS 23 8.505 1.132 -14.401 166 2HB HIS 23 2HB HIS 23 9.287 2.093 -13.162 167 HD1 HIS 23 HD1 HIS 23 10.054 -0.249 -16.028 168 HD2 HIS 23 HD2 HIS 23 12.095 2.210 -13.309 169 HE1 HIS 23 HE1 HIS 23 12.461 -0.103 -16.863 170 HE2 HIS 23 HE2 HIS 23 13.652 1.464 -15.183 171 H GLU 24 H GLU 24 8.607 -0.901 -10.282 172 HA GLU 24 HA GLU 24 11.270 -0.304 -9.356 173 1HB GLU 24 1HB GLU 24 9.296 1.560 -8.879 174 2HB GLU 24 2HB GLU 24 9.156 0.559 -7.447 175 1HG GLU 24 1HG GLU 24 10.994 1.549 -6.570 176 2HG GLU 24 2HG GLU 24 11.960 0.942 -7.899 177 H ILE 25 H ILE 25 11.231 -1.010 -6.770 178 HA ILE 25 HA ILE 25 11.033 -2.674 -5.330 179 HB ILE 25 HB ILE 25 8.504 -3.405 -6.810 180 1HG1 ILE 25 1HG1 ILE 25 8.593 -1.032 -6.019 181 2HG1 ILE 25 2HG1 ILE 25 7.309 -1.992 -5.312 182 1HG2 ILE 25 1HG2 ILE 25 8.476 -5.171 -5.461 183 2HG2 ILE 25 2HG2 ILE 25 9.881 -4.583 -4.540 184 3HG2 ILE 25 3HG2 ILE 25 8.243 -4.036 -4.109 185 1HD1 ILE 25 1HD1 ILE 25 9.268 -2.459 -3.472 186 2HD1 ILE 25 2HD1 ILE 25 9.746 -0.837 -4.027 187 3HD1 ILE 25 3HD1 ILE 25 8.121 -1.103 -3.352 188 H TYR 26 H TYR 26 11.966 -2.890 -8.400 189 HA TYR 26 HA TYR 26 12.805 -4.462 -9.747 190 1HB TYR 26 1HB TYR 26 13.864 -4.526 -7.073 191 2HB TYR 26 2HB TYR 26 13.685 -6.210 -7.523 192 HD1 TYR 26 HD1 TYR 26 14.714 -6.914 -9.831 193 HD2 TYR 26 HD2 TYR 26 15.778 -3.346 -7.723 194 HE1 TYR 26 HE1 TYR 26 16.901 -6.795 -11.121 195 HE2 TYR 26 HE2 TYR 26 17.961 -3.239 -9.020 196 HH TYR 26 HH TYR 26 19.424 -5.325 -10.256 197 H ASN 27 H ASN 27 10.044 -4.942 -9.322 198 HA ASN 27 HA ASN 27 8.495 -6.486 -9.285 199 1HB ASN 27 1HB ASN 27 10.003 -6.887 -11.459 200 2HB ASN 27 2HB ASN 27 10.412 -8.396 -10.666 201 1HD2 ASN 27 1HD2 ASN 27 9.279 -8.836 -12.894 202 2HD2 ASN 27 2HD2 ASN 27 7.600 -9.249 -12.799 203 H GLU 28 H GLU 28 9.968 -6.545 -6.854 204 HA GLU 28 HA GLU 28 11.135 -8.918 -6.186 205 1HB GLU 28 1HB GLU 28 10.967 -6.718 -4.849 206 2HB GLU 28 2HB GLU 28 9.403 -7.281 -4.293 207 1HG GLU 28 1HG GLU 28 10.325 -8.805 -2.857 208 2HG GLU 28 2HG GLU 28 11.498 -9.350 -4.038 209 H THR 29 H THR 29 7.791 -7.986 -5.097 210 HA THR 29 HA THR 29 6.701 -10.469 -6.033 211 HB THR 29 HB THR 29 7.987 -10.492 -3.516 212 HG1 THR 29 HG1 THR 29 5.705 -12.024 -4.549 213 1HG2 THR 29 1HG2 THR 29 4.936 -10.374 -3.251 214 2HG2 THR 29 2HG2 THR 29 6.034 -11.012 -2.004 215 3HG2 THR 29 3HG2 THR 29 6.098 -9.290 -2.450 216 H VAL 30 H VAL 30 6.337 -7.603 -3.868 217 HA VAL 30 HA VAL 30 3.687 -7.447 -3.593 218 HB VAL 30 HB VAL 30 3.929 -5.089 -3.435 219 1HG1 VAL 30 1HG1 VAL 30 5.612 -4.938 -1.827 220 2HG1 VAL 30 2HG1 VAL 30 5.261 -6.682 -1.867 221 3HG1 VAL 30 3HG1 VAL 30 6.695 -6.043 -2.707 222 1HG2 VAL 30 1HG2 VAL 30 5.444 -3.759 -4.545 223 2HG2 VAL 30 2HG2 VAL 30 6.658 -5.055 -4.675 224 3HG2 VAL 30 3HG2 VAL 30 5.231 -5.062 -5.739 225 H LYS 31 H LYS 31 5.503 -7.211 -6.619 226 HA LYS 31 HA LYS 31 3.803 -5.870 -8.247 227 1HB LYS 31 1HB LYS 31 6.066 -6.953 -8.746 228 2HB LYS 31 2HB LYS 31 5.184 -8.434 -9.059 229 1HG LYS 31 1HG LYS 31 4.052 -6.029 -10.404 230 2HG LYS 31 2HG LYS 31 5.665 -6.460 -10.938 231 1HD LYS 31 1HD LYS 31 4.471 -8.943 -10.902 232 2HD LYS 31 2HD LYS 31 3.092 -7.934 -11.291 233 1HE LYS 31 1HE LYS 31 4.839 -6.831 -13.024 234 2HE LYS 31 2HE LYS 31 5.617 -8.395 -12.876 235 1HZ LYS 31 1HZ LYS 31 4.133 -9.016 -14.376 236 2HZ LYS 31 2HZ LYS 31 3.030 -9.033 -13.172 237 3HZ LYS 31 3HZ LYS 31 3.160 -7.725 -14.142 238 H THR 32 H THR 32 3.270 -8.929 -6.601 239 HA THR 32 HA THR 32 0.989 -9.560 -8.299 240 HB THR 32 HB THR 32 2.498 -11.388 -7.630 241 HG1 THR 32 HG1 THR 32 0.103 -11.671 -7.610 242 1HG2 THR 32 1HG2 THR 32 3.523 -11.193 -5.580 243 2HG2 THR 32 2HG2 THR 32 2.292 -10.051 -4.989 244 3HG2 THR 32 3HG2 THR 32 1.989 -11.803 -4.913 245 H GLY 33 H GLY 33 1.766 -8.212 -5.097 246 1HA GLY 33 1HA GLY 33 -0.601 -8.466 -3.763 247 2HA GLY 33 2HA GLY 33 0.456 -7.072 -3.661 248 H HIS 34 H HIS 34 -2.527 -7.191 -3.564 249 HA HIS 34 HA HIS 34 -2.990 -5.034 -5.347 250 1HB HIS 34 1HB HIS 34 -3.679 -7.718 -6.222 251 2HB HIS 34 2HB HIS 34 -5.112 -6.717 -6.090 252 HD1 HIS 34 HD1 HIS 34 -4.821 -4.236 -7.369 253 HD2 HIS 34 HD2 HIS 34 -2.353 -7.401 -8.590 254 HE1 HIS 34 HE1 HIS 34 -3.952 -3.613 -9.686 255 HE2 HIS 34 HE2 HIS 34 -2.399 -5.569 -10.360 256 H VAL 35 H VAL 35 -3.508 -3.903 -3.442 257 HA VAL 35 HA VAL 35 -4.863 -4.654 -1.286 258 HB VAL 35 HB VAL 35 -5.521 -2.091 -2.733 259 1HG1 VAL 35 1HG1 VAL 35 -5.498 -3.011 0.131 260 2HG1 VAL 35 2HG1 VAL 35 -5.234 -1.293 -0.252 261 3HG1 VAL 35 3HG1 VAL 35 -6.739 -2.097 -0.760 262 1HG2 VAL 35 1HG2 VAL 35 -3.257 -1.922 -2.972 263 2HG2 VAL 35 2HG2 VAL 35 -3.387 -1.359 -1.288 264 3HG2 VAL 35 3HG2 VAL 35 -2.917 -3.042 -1.630 265 H THR 36 H THR 36 -6.562 -3.305 -4.210 266 HA THR 36 HA THR 36 -8.524 -3.853 -5.123 267 HB THR 36 HB THR 36 -7.635 -6.265 -4.269 268 HG1 THR 36 HG1 THR 36 -10.350 -5.452 -5.039 269 1HG2 THR 36 1HG2 THR 36 -8.792 -7.170 -2.512 270 2HG2 THR 36 2HG2 THR 36 -9.314 -5.515 -2.117 271 3HG2 THR 36 3HG2 THR 36 -10.337 -6.551 -3.141 272 H HIS 37 H HIS 37 -7.969 -2.801 -2.007 273 HA HIS 37 HA HIS 37 -10.696 -1.840 -1.871 274 1HB HIS 37 1HB HIS 37 -10.257 -2.427 0.772 275 2HB HIS 37 2HB HIS 37 -11.284 -3.332 -0.323 276 HD1 HIS 37 HD1 HIS 37 -10.845 -5.776 -0.191 277 HD2 HIS 37 HD2 HIS 37 -7.359 -3.528 0.434 278 HE1 HIS 37 HE1 HIS 37 -8.972 -7.460 0.221 279 HE2 HIS 37 HE2 HIS 37 -6.846 -6.021 0.544 280 H VAL 38 H VAL 38 -8.222 -1.866 0.729 281 HA VAL 38 HA VAL 38 -6.892 -0.279 1.524 282 HB VAL 38 HB VAL 38 -6.804 0.184 -1.175 283 1HG1 VAL 38 1HG1 VAL 38 -7.124 2.949 -0.052 284 2HG1 VAL 38 2HG1 VAL 38 -7.251 2.378 -1.734 285 3HG1 VAL 38 3HG1 VAL 38 -8.567 2.052 -0.580 286 1HG2 VAL 38 1HG2 VAL 38 -4.694 0.562 -0.568 287 2HG2 VAL 38 2HG2 VAL 38 -5.153 2.134 0.130 288 3HG2 VAL 38 3HG2 VAL 38 -5.213 0.664 1.132 289 H LYS 39 H LYS 39 -7.102 1.639 2.842 290 HA LYS 39 HA LYS 39 -9.801 2.785 2.802 291 1HB LYS 39 1HB LYS 39 -9.832 1.132 4.546 292 2HB LYS 39 2HB LYS 39 -8.300 1.685 5.191 293 1HG LYS 39 1HG LYS 39 -10.012 3.983 5.072 294 2HG LYS 39 2HG LYS 39 -10.970 2.681 5.751 295 1HD LYS 39 1HD LYS 39 -9.904 3.670 7.638 296 2HD LYS 39 2HD LYS 39 -8.973 2.217 7.330 297 1HE LYS 39 1HE LYS 39 -7.181 3.443 6.299 298 2HE LYS 39 2HE LYS 39 -8.165 4.880 6.099 299 1HZ LYS 39 1HZ LYS 39 -8.188 4.313 8.777 300 2HZ LYS 39 2HZ LYS 39 -6.636 4.104 8.314 301 3HZ LYS 39 3HZ LYS 39 -7.386 5.528 8.037 302 H LEU 40 H LEU 40 -9.376 4.801 2.012 303 HA LEU 40 HA LEU 40 -6.941 6.136 2.661 304 1HB LEU 40 1HB LEU 40 -8.443 6.251 0.538 305 2HB LEU 40 2HB LEU 40 -9.353 7.441 1.448 306 HG LEU 40 HG LEU 40 -7.524 8.253 -0.167 307 1HD1 LEU 40 1HD1 LEU 40 -8.718 9.667 1.475 308 2HD1 LEU 40 2HD1 LEU 40 -7.467 9.283 2.682 309 3HD1 LEU 40 3HD1 LEU 40 -7.035 10.180 1.207 310 1HD2 LEU 40 1HD2 LEU 40 -5.610 7.875 2.105 311 2HD2 LEU 40 2HD2 LEU 40 -5.875 6.540 0.957 312 3HD2 LEU 40 3HD2 LEU 40 -5.297 8.118 0.369 313 H SER 41 H SER 41 -6.604 7.892 4.061 314 HA SER 41 HA SER 41 -8.779 9.003 5.475 315 1HB SER 41 1HB SER 41 -8.646 6.935 6.764 316 2HB SER 41 2HB SER 41 -6.910 7.093 6.938 317 HG SER 41 HG SER 41 -7.261 9.036 8.203 318 H ASP 42 H ASP 42 -8.127 10.942 6.597 319 HA ASP 42 HA ASP 42 -6.837 12.597 7.177 320 1HB ASP 42 1HB ASP 42 -4.395 10.883 6.533 321 2HB ASP 42 2HB ASP 42 -4.415 12.336 7.512 322 H ASP 43 H ASP 43 -7.192 11.261 4.208 323 HA ASP 43 HA ASP 43 -7.065 12.089 2.194 324 1HB ASP 43 1HB ASP 43 -6.941 14.388 3.513 325 2HB ASP 43 2HB ASP 43 -5.249 14.361 3.057 326 H LEU 44 H LEU 44 -5.495 10.027 2.488 327 HA LEU 44 HA LEU 44 -3.750 9.073 1.448 328 1HB LEU 44 1HB LEU 44 -2.339 11.710 1.167 329 2HB LEU 44 2HB LEU 44 -2.122 10.241 0.236 330 HG LEU 44 HG LEU 44 -4.838 11.361 0.053 331 1HD1 LEU 44 1HD1 LEU 44 -3.456 13.000 -1.741 332 2HD1 LEU 44 2HD1 LEU 44 -4.321 13.498 -0.267 333 3HD1 LEU 44 3HD1 LEU 44 -2.576 13.153 -0.202 334 1HD2 LEU 44 1HD2 LEU 44 -3.980 9.489 -1.320 335 2HD2 LEU 44 2HD2 LEU 44 -4.559 10.862 -2.294 336 3HD2 LEU 44 3HD2 LEU 44 -2.812 10.604 -2.070 337 H LEU 45 H LEU 45 -3.150 11.713 3.812 338 HA LEU 45 HA LEU 45 -0.776 11.115 4.847 339 1HB LEU 45 1HB LEU 45 -3.181 12.351 5.747 340 2HB LEU 45 2HB LEU 45 -2.551 11.376 7.060 341 HG LEU 45 HG LEU 45 -0.853 13.376 5.555 342 1HD1 LEU 45 1HD1 LEU 45 -2.204 14.943 6.432 343 2HD1 LEU 45 2HD1 LEU 45 -2.909 13.825 7.624 344 3HD1 LEU 45 3HD1 LEU 45 -1.330 14.584 7.941 345 1HD2 LEU 45 1HD2 LEU 45 0.658 13.211 7.402 346 2HD2 LEU 45 2HD2 LEU 45 -0.483 12.198 8.319 347 3HD2 LEU 45 3HD2 LEU 45 0.286 11.562 6.845 348 H HIS 46 H HIS 46 -3.702 9.095 5.038 349 HA HIS 46 HA HIS 46 -2.017 7.032 6.242 350 1HB HIS 46 1HB HIS 46 -4.721 7.992 7.126 351 2HB HIS 46 2HB HIS 46 -4.302 6.303 7.332 352 HD1 HIS 46 HD1 HIS 46 -3.830 6.089 9.787 353 HD2 HIS 46 HD2 HIS 46 -1.940 9.426 8.086 354 HE1 HIS 46 HE1 HIS 46 -2.365 7.092 11.619 355 HE2 HIS 46 HE2 HIS 46 -1.187 9.106 10.500 356 H VAL 47 H VAL 47 -1.767 5.465 4.735 357 HA VAL 47 HA VAL 47 -4.092 4.908 3.024 358 HB VAL 47 HB VAL 47 -1.131 4.760 2.437 359 1HG1 VAL 47 1HG1 VAL 47 -1.619 3.841 0.304 360 2HG1 VAL 47 2HG1 VAL 47 -2.521 2.855 1.479 361 3HG1 VAL 47 3HG1 VAL 47 -3.370 4.085 0.513 362 1HG2 VAL 47 1HG2 VAL 47 -1.385 6.853 1.711 363 2HG2 VAL 47 2HG2 VAL 47 -2.535 6.256 0.491 364 3HG2 VAL 47 3HG2 VAL 47 -3.126 6.810 2.076 365 H THR 48 H THR 48 -5.036 3.310 4.326 366 HA THR 48 HA THR 48 -3.394 1.194 5.386 367 HB THR 48 HB THR 48 -6.368 1.884 5.350 368 HG1 THR 48 HG1 THR 48 -5.756 2.116 7.642 369 1HG2 THR 48 1HG2 THR 48 -5.357 -0.746 5.596 370 2HG2 THR 48 2HG2 THR 48 -5.504 -0.171 7.274 371 3HG2 THR 48 3HG2 THR 48 -6.927 -0.167 6.204 372 H VAL 49 H VAL 49 -2.372 0.154 3.674 373 HA VAL 49 HA VAL 49 -4.076 -0.893 1.569 374 HB VAL 49 HB VAL 49 -1.954 -1.590 0.565 375 1HG1 VAL 49 1HG1 VAL 49 -2.958 0.941 0.730 376 2HG1 VAL 49 2HG1 VAL 49 -1.291 1.197 1.298 377 3HG1 VAL 49 3HG1 VAL 49 -1.585 0.465 -0.297 378 1HG2 VAL 49 1HG2 VAL 49 -0.968 -1.242 3.245 379 2HG2 VAL 49 2HG2 VAL 49 -0.153 -1.948 1.828 380 3HG2 VAL 49 3HG2 VAL 49 -0.047 -0.198 2.136 381 H TYR 50 H TYR 50 -5.282 -2.622 2.241 382 HA TYR 50 HA TYR 50 -4.365 -4.426 4.218 383 1HB TYR 50 1HB TYR 50 -6.543 -4.388 2.043 384 2HB TYR 50 2HB TYR 50 -6.433 -5.696 3.205 385 HD1 TYR 50 HD1 TYR 50 -6.929 -2.012 2.919 386 HD2 TYR 50 HD2 TYR 50 -7.396 -5.495 5.358 387 HE1 TYR 50 HE1 TYR 50 -8.341 -0.681 4.562 388 HE2 TYR 50 HE2 TYR 50 -8.806 -4.153 6.993 389 HH TYR 50 HH TYR 50 -9.081 -0.699 6.721 390 H LEU 51 H LEU 51 -4.124 -4.265 0.674 391 HA LEU 51 HA LEU 51 -3.209 -5.607 -0.826 392 1HB LEU 51 1HB LEU 51 -1.497 -6.022 1.588 393 2HB LEU 51 2HB LEU 51 -1.216 -7.013 0.170 394 HG LEU 51 HG LEU 51 -1.225 -3.983 0.144 395 1HD1 LEU 51 1HD1 LEU 51 1.237 -5.723 0.029 396 2HD1 LEU 51 2HD1 LEU 51 1.114 -3.968 0.301 397 3HD1 LEU 51 3HD1 LEU 51 0.584 -5.103 1.565 398 1HD2 LEU 51 1HD2 LEU 51 -1.057 -4.093 -2.066 399 2HD2 LEU 51 2HD2 LEU 51 0.271 -5.273 -1.965 400 3HD2 LEU 51 3HD2 LEU 51 -1.419 -5.832 -1.955 401 H ASP 52 H ASP 52 -4.746 -7.011 -1.565 402 HA ASP 52 HA ASP 52 -5.237 -9.347 0.088 403 1HB ASP 52 1HB ASP 52 -7.202 -7.988 -0.658 404 2HB ASP 52 2HB ASP 52 -6.748 -8.249 -2.330 405 H CYS 53 H CYS 53 -3.181 -8.347 -2.312 406 HA CYS 53 HA CYS 53 -2.382 -9.224 -4.230 407 1HB CYS 53 1HB CYS 53 -1.201 -10.188 -2.107 408 2HB CYS 53 2HB CYS 53 -1.946 -11.704 -2.574 409 HG CYS 53 HG CYS 53 -1.104 -10.767 -5.271 410 H TYR 54 H TYR 54 -2.362 -12.415 -4.309 411 HA TYR 54 HA TYR 54 -4.546 -12.610 -6.115 412 1HB TYR 54 1HB TYR 54 -2.204 -14.108 -5.074 413 2HB TYR 54 2HB TYR 54 -3.573 -15.180 -5.293 414 HD1 TYR 54 HD1 TYR 54 -2.023 -12.343 -7.221 415 HD2 TYR 54 HD2 TYR 54 -3.570 -16.331 -7.297 416 HE1 TYR 54 HE1 TYR 54 -1.508 -12.503 -9.706 417 HE2 TYR 54 HE2 TYR 54 -3.050 -16.478 -9.781 418 HH TYR 54 HH TYR 54 -2.275 -13.741 -11.624 419 H ASN 55 H ASN 55 -3.895 -13.725 -2.747 420 HA ASN 55 HA ASN 55 -6.723 -13.958 -2.386 421 1HB ASN 55 1HB ASN 55 -4.859 -16.351 -1.946 422 2HB ASN 55 2HB ASN 55 -6.533 -16.294 -1.431 423 1HD2 ASN 55 1HD2 ASN 55 -8.201 -16.154 -2.988 424 2HD2 ASN 55 2HD2 ASN 55 -7.985 -16.721 -4.610 425 H ARG 56 H ARG 56 -3.632 -15.193 -0.877 426 HA ARG 56 HA ARG 56 -3.430 -13.203 0.992 427 1HB ARG 56 1HB ARG 56 -4.124 -14.549 3.073 428 2HB ARG 56 2HB ARG 56 -5.442 -13.939 2.092 429 1HG ARG 56 1HG ARG 56 -4.798 -16.463 0.961 430 2HG ARG 56 2HG ARG 56 -4.719 -16.712 2.694 431 1HD ARG 56 1HD ARG 56 -7.013 -15.485 2.813 432 2HD ARG 56 2HD ARG 56 -7.082 -15.676 1.072 433 HE ARG 56 HE ARG 56 -7.385 -18.006 1.336 434 1HH1 ARG 56 1HH1 ARG 56 -6.582 -16.517 4.421 435 2HH1 ARG 56 2HH1 ARG 56 -6.985 -17.922 5.349 436 1HH2 ARG 56 1HH2 ARG 56 -7.917 -19.861 2.560 437 2HH2 ARG 56 2HH2 ARG 56 -7.749 -19.837 4.284 438 H GLU 57 H GLU 57 -3.053 -16.653 0.124 439 HA GLU 57 HA GLU 57 -0.958 -17.233 1.836 440 1HB GLU 57 1HB GLU 57 -0.535 -19.147 0.327 441 2HB GLU 57 2HB GLU 57 -2.250 -18.957 0.637 442 1HG GLU 57 1HG GLU 57 -2.662 -18.013 -1.526 443 2HG GLU 57 2HG GLU 57 -0.967 -17.654 -1.791 444 H GLN 58 H GLN 58 -1.108 -15.021 -0.756 445 HA GLN 58 HA GLN 58 1.757 -15.278 -1.212 446 1HB GLN 58 1HB GLN 58 -0.435 -14.889 -2.996 447 2HB GLN 58 2HB GLN 58 0.456 -13.380 -2.988 448 1HG GLN 58 1HG GLN 58 1.825 -16.084 -3.326 449 2HG GLN 58 2HG GLN 58 1.229 -15.157 -4.688 450 1HE2 GLN 58 1HE2 GLN 58 3.826 -15.751 -4.623 451 2HE2 GLN 58 2HE2 GLN 58 4.810 -14.368 -4.281 452 H ILE 59 H ILE 59 -0.666 -13.465 0.424 453 HA ILE 59 HA ILE 59 0.360 -10.882 0.241 454 HB ILE 59 HB ILE 59 -1.757 -12.176 1.482 455 1HG1 ILE 59 1HG1 ILE 59 -2.340 -9.756 2.159 456 2HG1 ILE 59 2HG1 ILE 59 -0.834 -9.303 1.384 457 1HG2 ILE 59 1HG2 ILE 59 -1.667 -11.215 3.807 458 2HG2 ILE 59 2HG2 ILE 59 -0.588 -12.599 3.509 459 3HG2 ILE 59 3HG2 ILE 59 0.074 -10.948 3.553 460 1HD1 ILE 59 1HD1 ILE 59 -2.022 -9.234 -0.553 461 2HD1 ILE 59 2HD1 ILE 59 -2.004 -11.012 -0.496 462 3HD1 ILE 59 3HD1 ILE 59 -3.390 -10.114 0.169 463 H ASP 60 H ASP 60 0.948 -13.481 2.708 464 HA ASP 60 HA ASP 60 2.562 -12.252 4.385 465 1HB ASP 60 1HB ASP 60 1.993 -14.684 4.430 466 2HB ASP 60 2HB ASP 60 3.101 -14.973 3.104 467 H ARG 61 H ARG 61 3.350 -13.353 1.048 468 HA ARG 61 HA ARG 61 6.094 -12.695 1.322 469 1HB ARG 61 1HB ARG 61 4.486 -13.212 -1.229 470 2HB ARG 61 2HB ARG 61 6.231 -13.284 -1.078 471 1HG ARG 61 1HG ARG 61 5.988 -15.155 0.590 472 2HG ARG 61 2HG ARG 61 4.250 -15.101 0.376 473 1HD ARG 61 1HD ARG 61 4.508 -16.570 -1.341 474 2HD ARG 61 2HD ARG 61 5.229 -15.264 -2.260 475 HE ARG 61 HE ARG 61 7.094 -16.632 -0.438 476 1HH1 ARG 61 1HH1 ARG 61 5.737 -16.525 -3.683 477 2HH1 ARG 61 2HH1 ARG 61 7.059 -17.382 -4.403 478 1HH2 ARG 61 1HH2 ARG 61 8.839 -17.762 -1.387 479 2HH2 ARG 61 2HH2 ARG 61 8.835 -18.090 -3.088 480 H VAL 62 H VAL 62 3.126 -11.234 -0.101 481 HA VAL 62 HA VAL 62 4.427 -9.118 -1.416 482 HB VAL 62 HB VAL 62 1.615 -9.208 -0.313 483 1HG1 VAL 62 1HG1 VAL 62 1.256 -7.300 -1.416 484 2HG1 VAL 62 2HG1 VAL 62 3.011 -7.199 -1.694 485 3HG1 VAL 62 3HG1 VAL 62 1.960 -7.964 -2.910 486 1HG2 VAL 62 1HG2 VAL 62 2.827 -10.983 -2.178 487 2HG2 VAL 62 2HG2 VAL 62 1.112 -10.862 -1.718 488 3HG2 VAL 62 3HG2 VAL 62 1.734 -9.913 -3.089 489 H VAL 63 H VAL 63 2.467 -9.073 1.652 490 HA VAL 63 HA VAL 63 3.103 -6.545 2.437 491 HB VAL 63 HB VAL 63 2.667 -9.038 4.091 492 1HG1 VAL 63 1HG1 VAL 63 1.999 -7.494 5.910 493 2HG1 VAL 63 2HG1 VAL 63 3.718 -7.334 5.476 494 3HG1 VAL 63 3HG1 VAL 63 2.542 -6.118 4.919 495 1HG2 VAL 63 1HG2 VAL 63 0.828 -8.538 2.555 496 2HG2 VAL 63 2HG2 VAL 63 0.343 -8.234 4.240 497 3HG2 VAL 63 3HG2 VAL 63 0.748 -6.870 3.171 498 H GLY 64 H GLY 64 4.970 -9.592 2.973 499 1HA GLY 64 1HA GLY 64 6.973 -8.528 4.596 500 2HA GLY 64 2HA GLY 64 7.111 -9.934 3.559 501 H ALA 65 H ALA 65 6.508 -8.500 1.032 502 HA ALA 65 HA ALA 65 9.161 -7.546 0.539 503 1HB ALA 65 1HB ALA 65 6.649 -7.910 -1.126 504 2HB ALA 65 2HB ALA 65 8.142 -7.206 -1.792 505 3HB ALA 65 3HB ALA 65 8.147 -8.871 -1.162 506 H PHE 66 H PHE 66 5.855 -6.166 0.869 507 HA PHE 66 HA PHE 66 6.395 -3.618 -0.030 508 1HB PHE 66 1HB PHE 66 4.501 -5.055 1.811 509 2HB PHE 66 2HB PHE 66 4.595 -3.328 2.092 510 HD1 PHE 66 HD1 PHE 66 3.848 -5.879 -0.482 511 HD2 PHE 66 HD2 PHE 66 3.521 -1.801 0.643 512 HE1 PHE 66 HE1 PHE 66 2.254 -5.484 -2.380 513 HE2 PHE 66 HE2 PHE 66 1.926 -1.405 -1.254 514 HZ PHE 66 HZ PHE 66 1.311 -3.252 -2.743 515 H ASN 67 H ASN 67 7.458 -5.253 2.891 516 HA ASN 67 HA ASN 67 7.776 -3.003 4.490 517 1HB ASN 67 1HB ASN 67 8.262 -5.800 4.677 518 2HB ASN 67 2HB ASN 67 9.832 -5.064 4.930 519 1HD2 ASN 67 1HD2 ASN 67 8.251 -6.488 6.828 520 2HD2 ASN 67 2HD2 ASN 67 7.878 -5.427 8.145 521 H GLN 68 H GLN 68 9.846 -4.718 2.082 522 HA GLN 68 HA GLN 68 12.105 -3.096 2.634 523 1HB GLN 68 1HB GLN 68 11.491 -5.006 0.337 524 2HB GLN 68 2HB GLN 68 13.048 -4.241 0.588 525 1HG GLN 68 1HG GLN 68 12.715 -5.273 3.073 526 2HG GLN 68 2HG GLN 68 11.714 -6.409 2.191 527 1HE2 GLN 68 1HE2 GLN 68 13.048 -8.135 2.454 528 2HE2 GLN 68 2HE2 GLN 68 14.591 -8.307 1.686 529 H ALA 69 H ALA 69 9.164 -2.604 0.976 530 HA ALA 69 HA ALA 69 10.187 -1.008 -1.163 531 1HB ALA 69 1HB ALA 69 7.421 -1.423 0.033 532 2HB ALA 69 2HB ALA 69 7.741 -0.429 -1.408 533 3HB ALA 69 3HB ALA 69 8.088 -2.174 -1.436 534 H LYS 70 H LYS 70 7.954 -0.079 1.545 535 HA LYS 70 HA LYS 70 7.634 2.003 2.360 536 1HB LYS 70 1HB LYS 70 10.182 0.831 3.282 537 2HB LYS 70 2HB LYS 70 10.019 2.546 3.597 538 1HG LYS 70 1HG LYS 70 7.535 1.756 4.364 539 2HG LYS 70 2HG LYS 70 8.388 0.254 4.656 540 1HD LYS 70 1HD LYS 70 9.780 2.701 5.651 541 2HD LYS 70 2HD LYS 70 8.263 2.340 6.451 542 1HE LYS 70 1HE LYS 70 10.484 0.278 6.068 543 2HE LYS 70 2HE LYS 70 10.327 1.264 7.508 544 1HZ LYS 70 1HZ LYS 70 8.927 -1.047 6.841 545 2HZ LYS 70 2HZ LYS 70 8.862 -0.188 8.228 546 3HZ LYS 70 3HZ LYS 70 7.849 0.170 6.997 547 H GLY 71 H GLY 71 11.131 2.441 1.589 548 1HA GLY 71 1HA GLY 71 11.388 4.932 0.960 549 2HA GLY 71 2HA GLY 71 12.027 3.716 -0.128 550 H VAL 72 H VAL 72 10.202 2.733 -1.689 551 HA VAL 72 HA VAL 72 9.287 4.939 -3.217 552 HB VAL 72 HB VAL 72 8.240 3.059 -4.574 553 1HG1 VAL 72 1HG1 VAL 72 10.962 3.888 -4.245 554 2HG1 VAL 72 2HG1 VAL 72 10.940 2.150 -4.629 555 3HG1 VAL 72 3HG1 VAL 72 10.138 3.312 -5.714 556 1HG2 VAL 72 1HG2 VAL 72 9.932 1.206 -2.904 557 2HG2 VAL 72 2HG2 VAL 72 8.233 1.523 -2.476 558 3HG2 VAL 72 3HG2 VAL 72 8.635 0.819 -4.061 559 H PHE 73 H PHE 73 7.788 2.564 -0.974 560 HA PHE 73 HA PHE 73 5.153 3.543 -1.523 561 1HB PHE 73 1HB PHE 73 6.380 1.794 0.695 562 2HB PHE 73 2HB PHE 73 4.657 1.961 0.421 563 HD1 PHE 73 HD1 PHE 73 6.156 2.016 -2.721 564 HD2 PHE 73 HD2 PHE 73 5.189 -0.661 0.427 565 HE1 PHE 73 HE1 PHE 73 6.226 0.094 -4.333 566 HE2 PHE 73 HE2 PHE 73 5.259 -2.582 -1.186 567 HZ PHE 73 HZ PHE 73 5.776 -2.182 -3.547 568 H SER 74 H SER 74 6.945 5.672 -0.771 569 HA SER 74 HA SER 74 5.400 6.741 1.334 570 1HB SER 74 1HB SER 74 7.086 5.358 2.608 571 2HB SER 74 2HB SER 74 8.369 6.310 1.888 572 HG SER 74 HG SER 74 6.731 8.136 2.868 573 H ARG 75 H ARG 75 8.279 6.845 -0.804 574 HA ARG 75 HA ARG 75 8.559 9.637 -0.604 575 1HB ARG 75 1HB ARG 75 10.214 7.675 -1.445 576 2HB ARG 75 2HB ARG 75 9.561 8.111 -3.011 577 1HG ARG 75 1HG ARG 75 10.449 10.294 -2.934 578 2HG ARG 75 2HG ARG 75 10.517 10.321 -1.183 579 1HD ARG 75 1HD ARG 75 12.710 9.747 -1.323 580 2HD ARG 75 2HD ARG 75 12.212 8.174 -1.916 581 HE ARG 75 HE ARG 75 12.714 8.844 -4.129 582 1HH1 ARG 75 1HH1 ARG 75 12.915 11.588 -1.935 583 2HH1 ARG 75 2HH1 ARG 75 13.690 12.619 -3.091 584 1HH2 ARG 75 1HH2 ARG 75 13.737 10.204 -5.654 585 2HH2 ARG 75 2HH2 ARG 75 14.161 11.827 -5.221 586 H VAL 76 H VAL 76 6.574 7.421 -2.484 587 HA VAL 76 HA VAL 76 6.120 8.904 -4.770 588 HB VAL 76 HB VAL 76 4.374 7.012 -3.193 589 1HG1 VAL 76 1HG1 VAL 76 2.648 7.631 -4.468 590 2HG1 VAL 76 2HG1 VAL 76 3.675 8.710 -5.442 591 3HG1 VAL 76 3HG1 VAL 76 3.536 6.988 -5.870 592 1HG2 VAL 76 1HG2 VAL 76 5.260 5.304 -4.435 593 2HG2 VAL 76 2HG2 VAL 76 5.593 6.345 -5.840 594 3HG2 VAL 76 3HG2 VAL 76 6.662 6.402 -4.418 595 H LEU 77 H LEU 77 4.284 8.905 -1.635 596 HA LEU 77 HA LEU 77 2.648 11.069 -2.468 597 1HB LEU 77 1HB LEU 77 3.102 10.198 0.372 598 2HB LEU 77 2HB LEU 77 1.677 10.931 -0.337 599 HG LEU 77 HG LEU 77 1.967 8.572 -1.782 600 1HD1 LEU 77 1HD1 LEU 77 3.604 7.600 -0.392 601 2HD1 LEU 77 2HD1 LEU 77 2.779 8.130 1.093 602 3HD1 LEU 77 3HD1 LEU 77 2.061 6.851 0.086 603 1HD2 LEU 77 1HD2 LEU 77 0.231 8.471 0.617 604 2HD2 LEU 77 2HD2 LEU 77 -0.007 9.858 -0.473 605 3HD2 LEU 77 3HD2 LEU 77 -0.152 8.198 -1.100 606 H ALA 78 H ALA 78 5.786 10.712 -0.843 607 HA ALA 78 HA ALA 78 6.053 13.072 0.460 608 1HB ALA 78 1HB ALA 78 7.709 11.180 0.274 609 2HB ALA 78 2HB ALA 78 8.159 11.802 -1.333 610 3HB ALA 78 3HB ALA 78 8.434 12.799 0.116 611 H HIS 79 H HIS 79 6.281 12.458 -3.085 612 HA HIS 79 HA HIS 79 7.283 14.738 -4.020 613 1HB HIS 79 1HB HIS 79 6.120 12.667 -5.169 614 2HB HIS 79 2HB HIS 79 4.736 13.738 -5.251 615 HD1 HIS 79 HD1 HIS 79 8.367 14.804 -5.759 616 HD2 HIS 79 HD2 HIS 79 4.814 14.351 -7.942 617 HE1 HIS 79 HE1 HIS 79 8.817 15.790 -8.069 618 HE2 HIS 79 HE2 HIS 79 6.616 15.434 -9.382 619 H ASN 80 H ASN 80 4.198 14.346 -2.318 620 HA ASN 80 HA ASN 80 3.689 17.173 -2.803 621 1HB ASN 80 1HB ASN 80 1.829 14.879 -2.002 622 2HB ASN 80 2HB ASN 80 1.326 16.557 -1.950 623 1HD2 ASN 80 1HD2 ASN 80 3.048 14.334 -4.142 624 2HD2 ASN 80 2HD2 ASN 80 2.238 14.796 -5.603 625 H LEU 81 H LEU 81 2.756 14.702 -0.286 626 HA LEU 81 HA LEU 81 3.535 16.646 1.760 627 1HB LEU 81 1HB LEU 81 1.818 14.189 2.090 628 2HB LEU 81 2HB LEU 81 2.046 15.499 3.231 629 HG LEU 81 HG LEU 81 0.641 15.700 0.553 630 1HD1 LEU 81 1HD1 LEU 81 -0.965 16.338 2.869 631 2HD1 LEU 81 2HD1 LEU 81 -1.252 15.152 1.573 632 3HD1 LEU 81 3HD1 LEU 81 -0.290 14.696 3.000 633 1HD2 LEU 81 1HD2 LEU 81 0.014 17.970 1.254 634 2HD2 LEU 81 2HD2 LEU 81 1.041 17.803 2.698 635 3HD2 LEU 81 3HD2 LEU 81 1.775 17.786 1.077 636 H TYR 82 H TYR 82 5.505 16.375 2.647 637 HA TYR 82 HA TYR 82 6.550 13.625 2.734 638 1HB TYR 82 1HB TYR 82 8.749 14.771 2.564 639 2HB TYR 82 2HB TYR 82 7.718 15.395 1.293 640 HD1 TYR 82 HD1 TYR 82 9.303 16.157 4.534 641 HD2 TYR 82 HD2 TYR 82 6.935 17.695 1.320 642 HE1 TYR 82 HE1 TYR 82 9.696 18.526 5.368 643 HE2 TYR 82 HE2 TYR 82 7.336 20.059 2.165 644 HH TYR 82 HH TYR 82 8.785 21.278 3.474 645 H LEU 83 H LEU 83 8.101 13.216 4.588 646 HA LEU 83 HA LEU 83 8.792 13.504 6.717 647 1HB LEU 83 1HB LEU 83 7.950 16.008 6.290 648 2HB LEU 83 2HB LEU 83 6.721 15.509 7.435 649 HG LEU 83 HG LEU 83 9.715 15.449 7.903 650 1HD1 LEU 83 1HD1 LEU 83 8.401 17.112 9.767 651 2HD1 LEU 83 2HD1 LEU 83 9.520 17.585 8.466 652 3HD1 LEU 83 3HD1 LEU 83 7.767 17.548 8.161 653 1HD2 LEU 83 1HD2 LEU 83 8.596 15.170 10.362 654 2HD2 LEU 83 2HD2 LEU 83 7.453 14.240 9.364 655 3HD2 LEU 83 3HD2 LEU 83 9.183 13.822 9.359 656 H ALA 84 H ALA 84 8.151 12.379 8.610 657 HA ALA 84 HA ALA 84 6.372 10.405 8.389 658 1HB ALA 84 1HB ALA 84 6.164 11.097 11.081 659 2HB ALA 84 2HB ALA 84 7.441 10.094 10.352 660 3HB ALA 84 3HB ALA 84 7.701 11.840 10.576 661 H LYS 85 H LYS 85 5.595 13.547 10.058 662 HA LYS 85 HA LYS 85 2.825 12.934 10.104 663 1HB LYS 85 1HB LYS 85 4.295 15.540 10.603 664 2HB LYS 85 2HB LYS 85 2.606 15.243 10.962 665 1HG LYS 85 1HG LYS 85 3.083 13.990 12.828 666 2HG LYS 85 2HG LYS 85 4.433 13.176 12.063 667 1HD LYS 85 1HD LYS 85 4.752 16.103 12.716 668 2HD LYS 85 2HD LYS 85 4.790 14.964 14.048 669 1HE LYS 85 1HE LYS 85 6.706 13.827 13.189 670 2HE LYS 85 2HE LYS 85 6.482 14.469 11.574 671 1HZ LYS 85 1HZ LYS 85 6.773 16.562 13.421 672 2HZ LYS 85 2HZ LYS 85 8.029 15.528 13.560 673 3HZ LYS 85 3HZ LYS 85 7.690 16.211 12.116 674 H ALA 86 H ALA 86 3.199 12.346 7.595 675 HA ALA 86 HA ALA 86 1.765 14.392 6.204 676 1HB ALA 86 1HB ALA 86 3.367 14.956 4.567 677 2HB ALA 86 2HB ALA 86 4.286 15.006 6.090 678 3HB ALA 86 3HB ALA 86 4.431 13.600 5.008 679 H VAL 87 H VAL 87 3.896 11.488 5.681 680 HA VAL 87 HA VAL 87 1.621 9.936 4.918 681 HB VAL 87 HB VAL 87 2.441 9.438 2.649 682 1HG1 VAL 87 1HG1 VAL 87 1.495 11.358 1.588 683 2HG1 VAL 87 2HG1 VAL 87 0.654 11.157 3.144 684 3HG1 VAL 87 3HG1 VAL 87 1.910 12.407 2.965 685 1HG2 VAL 87 1HG2 VAL 87 4.679 9.944 2.484 686 2HG2 VAL 87 2HG2 VAL 87 3.973 11.386 1.715 687 3HG2 VAL 87 3HG2 VAL 87 4.522 11.458 3.407 688 H GLN 88 H GLN 88 2.821 7.777 3.734 689 HA GLN 88 HA GLN 88 5.245 6.964 4.293 690 1HB GLN 88 1HB GLN 88 3.839 7.373 6.855 691 2HB GLN 88 2HB GLN 88 4.492 5.754 6.699 692 1HG GLN 88 1HG GLN 88 6.498 7.558 5.712 693 2HG GLN 88 2HG GLN 88 5.906 8.232 7.217 694 1HE2 GLN 88 1HE2 GLN 88 7.410 7.770 8.655 695 2HE2 GLN 88 2HE2 GLN 88 8.037 6.199 9.027 696 H ILE 89 H ILE 89 1.801 6.397 4.310 697 HA ILE 89 HA ILE 89 0.580 4.739 3.508 698 HB ILE 89 HB ILE 89 3.229 4.150 2.370 699 1HG1 ILE 89 1HG1 ILE 89 0.484 4.019 1.104 700 2HG1 ILE 89 2HG1 ILE 89 1.338 5.528 1.356 701 1HG2 ILE 89 1HG2 ILE 89 2.174 1.970 1.383 702 2HG2 ILE 89 2HG2 ILE 89 2.999 1.935 2.959 703 3HG2 ILE 89 3HG2 ILE 89 1.221 1.983 2.886 704 1HD1 ILE 89 1HD1 ILE 89 2.826 3.273 0.018 705 2HD1 ILE 89 2HD1 ILE 89 1.609 4.168 -0.923 706 3HD1 ILE 89 3HD1 ILE 89 2.993 5.030 -0.211 707 H HIS 90 H HIS 90 -0.516 3.301 4.744 708 HA HIS 90 HA HIS 90 1.017 2.012 6.858 709 1HB HIS 90 1HB HIS 90 -1.077 3.501 7.223 710 2HB HIS 90 2HB HIS 90 -1.990 2.114 6.661 711 HD1 HIS 90 HD1 HIS 90 -1.263 3.575 9.708 712 HD2 HIS 90 HD2 HIS 90 -0.724 -0.336 8.290 713 HE1 HIS 90 HE1 HIS 90 -1.111 2.081 11.771 714 HE2 HIS 90 HE2 HIS 90 -0.835 -0.316 10.835 715 H PHE 91 H PHE 91 0.977 -0.249 7.191 716 HA PHE 91 HA PHE 91 0.105 -1.724 4.821 717 1HB PHE 91 1HB PHE 91 1.923 -3.165 5.355 718 2HB PHE 91 2HB PHE 91 2.534 -1.638 5.960 719 HD1 PHE 91 HD1 PHE 91 0.594 -4.615 7.094 720 HD2 PHE 91 HD2 PHE 91 3.296 -1.516 8.144 721 HE1 PHE 91 HE1 PHE 91 0.870 -5.628 9.373 722 HE2 PHE 91 HE2 PHE 91 3.572 -2.529 10.423 723 HZ PHE 91 HZ PHE 91 2.356 -4.574 11.011 724 H VAL 92 H VAL 92 -1.509 -3.240 4.930 725 HA VAL 92 HA VAL 92 -2.334 -4.103 7.605 726 HB VAL 92 HB VAL 92 -4.018 -2.890 5.423 727 1HG1 VAL 92 1HG1 VAL 92 -5.111 -4.983 5.997 728 2HG1 VAL 92 2HG1 VAL 92 -4.970 -4.618 7.733 729 3HG1 VAL 92 3HG1 VAL 92 -6.020 -3.622 6.696 730 1HG2 VAL 92 1HG2 VAL 92 -3.765 -1.130 6.795 731 2HG2 VAL 92 2HG2 VAL 92 -4.903 -1.974 7.872 732 3HG2 VAL 92 3HG2 VAL 92 -3.149 -2.138 8.126 733 H LYS 93 H LYS 93 -3.758 -6.116 7.462 734 HA LYS 93 HA LYS 93 -3.618 -7.605 5.032 735 1HB LYS 93 1HB LYS 93 -2.305 -9.479 6.403 736 2HB LYS 93 2HB LYS 93 -1.491 -8.303 5.391 737 1HG LYS 93 1HG LYS 93 -0.641 -7.118 7.196 738 2HG LYS 93 2HG LYS 93 -2.035 -7.439 8.208 739 1HD LYS 93 1HD LYS 93 -1.129 -9.359 9.075 740 2HD LYS 93 2HD LYS 93 -0.504 -9.884 7.525 741 1HE LYS 93 1HE LYS 93 1.566 -9.285 8.242 742 2HE LYS 93 2HE LYS 93 1.052 -7.613 8.147 743 1HZ LYS 93 1HZ LYS 93 1.160 -7.522 10.327 744 2HZ LYS 93 2HZ LYS 93 0.042 -8.700 10.491 745 3HZ LYS 93 3HZ LYS 93 1.627 -9.084 10.416 746 H ASP 94 H ASP 94 -3.894 -7.842 8.645 747 HA ASP 94 HA ASP 94 -6.291 -9.425 8.159 748 1HB ASP 94 1HB ASP 94 -4.247 -10.328 9.543 749 2HB ASP 94 2HB ASP 94 -4.798 -9.239 10.800 750 H LYS 95 H LYS 95 -5.003 -6.397 9.171 751 HA LYS 95 HA LYS 95 -5.735 -4.729 10.473 752 1HB LYS 95 1HB LYS 95 -6.978 -4.545 8.330 753 2HB LYS 95 2HB LYS 95 -8.314 -5.429 9.039 754 1HG LYS 95 1HG LYS 95 -8.919 -3.147 9.326 755 2HG LYS 95 2HG LYS 95 -8.328 -3.629 10.904 756 1HD LYS 95 1HD LYS 95 -6.089 -2.710 9.291 757 2HD LYS 95 2HD LYS 95 -7.361 -1.505 9.244 758 1HE LYS 95 1HE LYS 95 -6.595 -0.800 11.268 759 2HE LYS 95 2HE LYS 95 -7.329 -2.242 11.941 760 1HZ LYS 95 1HZ LYS 95 -5.349 -3.213 12.161 761 2HZ LYS 95 2HZ LYS 95 -4.747 -2.638 10.756 762 3HZ LYS 95 3HZ LYS 95 -4.750 -1.695 12.090 763 H ALA 96 H ALA 96 -5.419 -6.771 12.173 764 HA ALA 96 HA ALA 96 -7.541 -6.304 14.052 765 1HB ALA 96 1HB ALA 96 -7.014 -9.073 12.904 766 2HB ALA 96 2HB ALA 96 -7.936 -8.767 14.396 767 3HB ALA 96 3HB ALA 96 -8.535 -8.151 12.838 768 H ILE 97 H ILE 97 -5.257 -9.082 13.800 769 HA ILE 97 HA ILE 97 -4.051 -8.210 16.277 770 HB ILE 97 HB ILE 97 -2.941 -10.370 16.224 771 1HG1 ILE 97 1HG1 ILE 97 -4.411 -11.194 13.750 772 2HG1 ILE 97 2HG1 ILE 97 -2.928 -10.277 13.568 773 1HG2 ILE 97 1HG2 ILE 97 -5.074 -11.804 16.135 774 2HG2 ILE 97 2HG2 ILE 97 -5.014 -10.453 17.293 775 3HG2 ILE 97 3HG2 ILE 97 -5.918 -10.280 15.769 776 1HD1 ILE 97 1HD1 ILE 97 -2.203 -12.538 13.585 777 2HD1 ILE 97 2HD1 ILE 97 -1.883 -11.981 15.245 778 3HD1 ILE 97 3HD1 ILE 97 -3.318 -12.977 14.901 779 H ASP 98 H ASP 98 -3.575 -6.267 14.413 780 HA ASP 98 HA ASP 98 -1.181 -6.802 13.006 781 1HB ASP 98 1HB ASP 98 -3.090 -5.020 12.579 782 2HB ASP 98 2HB ASP 98 -2.195 -4.031 13.716 783 H ASN 99 H ASN 99 -1.829 -6.515 16.259 784 HA ASN 99 HA ASN 99 0.862 -5.653 16.785 785 1HB ASN 99 1HB ASN 99 -0.976 -3.694 16.981 786 2HB ASN 99 2HB ASN 99 -1.316 -4.457 18.522 787 1HD2 ASN 99 1HD2 ASN 99 -0.255 -3.705 20.177 788 2HD2 ASN 99 2HD2 ASN 99 1.308 -2.958 20.179 789 H ALA 100 H ALA 100 0.269 -8.228 16.986 790 HA ALA 100 HA ALA 100 0.147 -8.727 19.813 791 1HB ALA 100 1HB ALA 100 -2.112 -9.021 19.773 792 2HB ALA 100 2HB ALA 100 -2.157 -9.225 18.005 793 3HB ALA 100 3HB ALA 100 -1.695 -10.592 19.047 794 H MET 101 H MET 101 -0.793 -11.114 17.351 795 HA MET 101 HA MET 101 0.397 -12.609 16.236 796 1HB MET 101 1HB MET 101 2.369 -10.807 16.536 797 2HB MET 101 2HB MET 101 2.964 -11.947 17.727 798 1HG MET 101 1HG MET 101 2.972 -13.759 16.013 799 2HG MET 101 2HG MET 101 2.325 -12.651 14.820 800 1HE MET 101 1HE MET 101 5.276 -11.524 13.136 801 2HE MET 101 2HE MET 101 3.588 -12.088 13.179 802 3HE MET 101 3HE MET 101 3.998 -10.461 13.772 Start of MODEL 9 1 H LYS 6 H LYS 6 -14.471 4.072 -10.981 2 HA LYS 6 HA LYS 6 -11.618 4.237 -10.401 3 1HB LYS 6 1HB LYS 6 -13.126 5.981 -12.347 4 2HB LYS 6 2HB LYS 6 -11.723 6.588 -11.490 5 1HG LYS 6 1HG LYS 6 -10.371 4.658 -12.347 6 2HG LYS 6 2HG LYS 6 -11.773 4.065 -13.214 7 1HD LYS 6 1HD LYS 6 -11.838 6.049 -14.631 8 2HD LYS 6 2HD LYS 6 -10.630 6.859 -13.653 9 1HE LYS 6 1HE LYS 6 -9.141 4.726 -14.260 10 2HE LYS 6 2HE LYS 6 -10.269 4.562 -15.591 11 1HZ LYS 6 1HZ LYS 6 -9.368 7.232 -15.256 12 2HZ LYS 6 2HZ LYS 6 -8.134 6.199 -15.536 13 3HZ LYS 6 3HZ LYS 6 -9.372 6.298 -16.596 14 H GLU 7 H GLU 7 -12.024 4.228 -8.181 15 HA GLU 7 HA GLU 7 -14.089 5.764 -7.074 16 1HB GLU 7 1HB GLU 7 -11.715 4.241 -6.006 17 2HB GLU 7 2HB GLU 7 -12.553 5.337 -4.926 18 1HG GLU 7 1HG GLU 7 -14.509 4.073 -4.919 19 2HG GLU 7 2HG GLU 7 -14.273 3.491 -6.555 20 H ARG 8 H ARG 8 -13.254 7.698 -8.574 21 HA ARG 8 HA ARG 8 -12.201 9.596 -8.811 22 1HB ARG 8 1HB ARG 8 -12.522 9.914 -5.793 23 2HB ARG 8 2HB ARG 8 -12.590 11.175 -7.008 24 1HG ARG 8 1HG ARG 8 -14.813 10.844 -7.309 25 2HG ARG 8 2HG ARG 8 -14.556 9.149 -7.670 26 1HD ARG 8 1HD ARG 8 -14.759 8.502 -5.370 27 2HD ARG 8 2HD ARG 8 -14.511 10.139 -4.795 28 HE ARG 8 HE ARG 8 -17.029 8.982 -5.611 29 1HH1 ARG 8 1HH1 ARG 8 -15.232 12.008 -5.648 30 2HH1 ARG 8 2HH1 ARG 8 -16.652 12.998 -5.692 31 1HH2 ARG 8 1HH2 ARG 8 -18.903 10.288 -5.669 32 2HH2 ARG 8 2HH2 ARG 8 -18.754 12.014 -5.704 33 H LEU 9 H LEU 9 -10.761 10.997 -6.430 34 HA LEU 9 HA LEU 9 -8.193 10.572 -7.114 35 1HB LEU 9 1HB LEU 9 -7.654 11.895 -5.368 36 2HB LEU 9 2HB LEU 9 -9.374 12.221 -5.457 37 HG LEU 9 HG LEU 9 -8.403 10.046 -3.633 38 1HD1 LEU 9 1HD1 LEU 9 -8.586 12.359 -2.055 39 2HD1 LEU 9 2HD1 LEU 9 -7.128 11.411 -2.435 40 3HD1 LEU 9 3HD1 LEU 9 -7.571 12.806 -3.448 41 1HD2 LEU 9 1HD2 LEU 9 -10.660 10.025 -3.477 42 2HD2 LEU 9 2HD2 LEU 9 -10.353 11.324 -2.301 43 3HD2 LEU 9 3HD2 LEU 9 -10.827 11.727 -3.969 44 H GLU 10 H GLU 10 -10.153 8.667 -4.773 45 HA GLU 10 HA GLU 10 -8.278 7.192 -3.586 46 1HB GLU 10 1HB GLU 10 -11.008 7.080 -3.778 47 2HB GLU 10 2HB GLU 10 -10.584 5.608 -4.628 48 1HG GLU 10 1HG GLU 10 -8.914 5.734 -2.293 49 2HG GLU 10 2HG GLU 10 -10.543 6.123 -1.776 50 H ASN 11 H ASN 11 -9.822 6.354 -6.775 51 HA ASN 11 HA ASN 11 -8.328 4.126 -7.259 52 1HB ASN 11 1HB ASN 11 -10.338 5.079 -8.583 53 2HB ASN 11 2HB ASN 11 -9.200 6.134 -9.396 54 1HD2 ASN 11 1HD2 ASN 11 -7.502 5.229 -10.646 55 2HD2 ASN 11 2HD2 ASN 11 -7.648 3.664 -11.373 56 H ASP 12 H ASP 12 -7.600 7.604 -7.620 57 HA ASP 12 HA ASP 12 -5.455 7.388 -9.348 58 1HB ASP 12 1HB ASP 12 -6.800 9.437 -8.088 59 2HB ASP 12 2HB ASP 12 -5.295 9.451 -7.190 60 H ILE 13 H ILE 13 -5.736 7.374 -5.731 61 HA ILE 13 HA ILE 13 -2.988 7.273 -5.208 62 HB ILE 13 HB ILE 13 -5.320 6.290 -3.558 63 1HG1 ILE 13 1HG1 ILE 13 -4.160 8.846 -2.799 64 2HG1 ILE 13 2HG1 ILE 13 -4.756 8.891 -4.446 65 1HG2 ILE 13 1HG2 ILE 13 -2.414 6.443 -3.062 66 2HG2 ILE 13 2HG2 ILE 13 -3.443 7.136 -1.785 67 3HG2 ILE 13 3HG2 ILE 13 -3.669 5.444 -2.290 68 1HD1 ILE 13 1HD1 ILE 13 -6.947 8.685 -3.803 69 2HD1 ILE 13 2HD1 ILE 13 -6.562 7.510 -2.522 70 3HD1 ILE 13 3HD1 ILE 13 -6.335 9.251 -2.230 71 H ILE 14 H ILE 14 -5.494 4.693 -5.595 72 HA ILE 14 HA ILE 14 -3.822 2.553 -5.021 73 HB ILE 14 HB ILE 14 -6.371 2.930 -6.532 74 1HG1 ILE 14 1HG1 ILE 14 -7.024 1.177 -4.727 75 2HG1 ILE 14 2HG1 ILE 14 -5.503 1.603 -3.969 76 1HG2 ILE 14 1HG2 ILE 14 -4.606 0.499 -6.621 77 2HG2 ILE 14 2HG2 ILE 14 -6.378 0.334 -6.660 78 3HG2 ILE 14 3HG2 ILE 14 -5.544 1.273 -7.921 79 1HD1 ILE 14 1HD1 ILE 14 -6.172 3.995 -3.915 80 2HD1 ILE 14 2HD1 ILE 14 -7.709 3.580 -4.711 81 3HD1 ILE 14 3HD1 ILE 14 -7.364 2.976 -3.073 82 H ARG 15 H ARG 15 -4.445 4.339 -8.088 83 HA ARG 15 HA ARG 15 -2.892 2.580 -9.615 84 1HB ARG 15 1HB ARG 15 -4.530 3.937 -10.757 85 2HB ARG 15 2HB ARG 15 -3.917 5.417 -10.046 86 1HG ARG 15 1HG ARG 15 -1.816 5.215 -11.336 87 2HG ARG 15 2HG ARG 15 -2.325 3.666 -11.979 88 1HD ARG 15 1HD ARG 15 -4.441 5.559 -12.500 89 2HD ARG 15 2HD ARG 15 -2.932 6.307 -12.984 90 HE ARG 15 HE ARG 15 -2.642 4.654 -14.656 91 1HH1 ARG 15 1HH1 ARG 15 -5.373 3.858 -12.585 92 2HH1 ARG 15 2HH1 ARG 15 -5.971 2.616 -13.634 93 1HH2 ARG 15 1HH2 ARG 15 -3.430 3.016 -16.041 94 2HH2 ARG 15 2HH2 ARG 15 -4.858 2.134 -15.613 95 H LEU 16 H LEU 16 -2.139 5.067 -7.330 96 HA LEU 16 HA LEU 16 0.252 6.021 -8.499 97 1HB LEU 16 1HB LEU 16 -1.371 6.606 -6.285 98 2HB LEU 16 2HB LEU 16 0.190 6.173 -5.615 99 HG LEU 16 HG LEU 16 0.404 8.448 -5.876 100 1HD1 LEU 16 1HD1 LEU 16 1.369 8.062 -8.636 101 2HD1 LEU 16 2HD1 LEU 16 2.220 8.639 -7.182 102 3HD1 LEU 16 3HD1 LEU 16 1.991 6.893 -7.446 103 1HD2 LEU 16 1HD2 LEU 16 -0.739 8.579 -8.644 104 2HD2 LEU 16 2HD2 LEU 16 -1.830 8.472 -7.242 105 3HD2 LEU 16 3HD2 LEU 16 -0.678 9.822 -7.371 106 H ILE 17 H ILE 17 -0.255 3.849 -5.624 107 HA ILE 17 HA ILE 17 2.393 3.023 -5.513 108 HB ILE 17 HB ILE 17 -0.196 2.202 -4.367 109 1HG1 ILE 17 1HG1 ILE 17 1.220 3.781 -3.209 110 2HG1 ILE 17 2HG1 ILE 17 1.114 2.298 -2.283 111 1HG2 ILE 17 1HG2 ILE 17 2.153 0.286 -4.340 112 2HG2 ILE 17 2HG2 ILE 17 0.619 0.108 -3.454 113 3HG2 ILE 17 3HG2 ILE 17 0.632 0.047 -5.233 114 1HD1 ILE 17 1HD1 ILE 17 3.471 3.598 -3.319 115 2HD1 ILE 17 2HD1 ILE 17 3.369 2.140 -2.302 116 3HD1 ILE 17 3HD1 ILE 17 3.331 1.993 -4.076 117 H ASN 18 H ASN 18 -0.234 2.148 -7.673 118 HA ASN 18 HA ASN 18 0.830 -0.354 -8.392 119 1HB ASN 18 1HB ASN 18 -1.532 1.105 -8.905 120 2HB ASN 18 2HB ASN 18 -0.763 1.016 -10.477 121 1HD2 ASN 18 1HD2 ASN 18 0.201 -1.197 -10.996 122 2HD2 ASN 18 2HD2 ASN 18 -0.794 -2.578 -10.676 123 H ARG 19 H ARG 19 0.965 3.030 -9.665 124 HA ARG 19 HA ARG 19 2.273 2.435 -12.020 125 1HB ARG 19 1HB ARG 19 1.162 4.667 -11.114 126 2HB ARG 19 2HB ARG 19 2.762 5.015 -10.489 127 1HG ARG 19 1HG ARG 19 3.046 4.100 -13.218 128 2HG ARG 19 2HG ARG 19 1.799 5.332 -13.184 129 1HD ARG 19 1HD ARG 19 3.410 6.801 -11.838 130 2HD ARG 19 2HD ARG 19 4.653 5.600 -12.128 131 HE ARG 19 HE ARG 19 3.540 7.478 -14.091 132 1HH1 ARG 19 1HH1 ARG 19 5.300 4.465 -13.640 133 2HH1 ARG 19 2HH1 ARG 19 6.034 4.511 -15.208 134 1HH2 ARG 19 1HH2 ARG 19 4.508 7.539 -16.160 135 2HH2 ARG 19 2HH2 ARG 19 5.581 6.271 -16.651 136 H THR 20 H THR 20 3.360 2.537 -8.688 137 HA THR 20 HA THR 20 6.128 3.002 -9.303 138 HB THR 20 HB THR 20 4.350 2.718 -6.952 139 HG1 THR 20 HG1 THR 20 5.772 4.421 -6.402 140 1HG2 THR 20 1HG2 THR 20 6.019 1.910 -5.401 141 2HG2 THR 20 2HG2 THR 20 5.961 0.697 -6.703 142 3HG2 THR 20 3HG2 THR 20 7.277 1.894 -6.660 143 H VAL 21 H VAL 21 4.207 0.133 -8.187 144 HA VAL 21 HA VAL 21 6.409 -1.609 -8.497 145 HB VAL 21 HB VAL 21 3.438 -2.155 -8.351 146 1HG1 VAL 21 1HG1 VAL 21 4.018 -4.273 -8.791 147 2HG1 VAL 21 2HG1 VAL 21 5.755 -3.908 -8.654 148 3HG1 VAL 21 3HG1 VAL 21 4.807 -4.285 -7.195 149 1HG2 VAL 21 1HG2 VAL 21 5.259 -2.521 -6.011 150 2HG2 VAL 21 2HG2 VAL 21 4.796 -0.859 -6.451 151 3HG2 VAL 21 3HG2 VAL 21 3.540 -2.061 -6.067 152 H ILE 22 H ILE 22 4.616 0.103 -10.772 153 HA ILE 22 HA ILE 22 4.208 -1.886 -12.725 154 HB ILE 22 HB ILE 22 3.931 0.993 -12.442 155 1HG1 ILE 22 1HG1 ILE 22 2.035 -0.510 -12.518 156 2HG1 ILE 22 2HG1 ILE 22 1.980 0.589 -13.882 157 1HG2 ILE 22 1HG2 ILE 22 4.003 1.417 -14.929 158 2HG2 ILE 22 2HG2 ILE 22 5.582 1.242 -14.127 159 3HG2 ILE 22 3HG2 ILE 22 4.916 -0.103 -15.083 160 1HD1 ILE 22 1HD1 ILE 22 3.481 -1.591 -14.842 161 2HD1 ILE 22 2HD1 ILE 22 2.191 -2.333 -13.866 162 3HD1 ILE 22 3HD1 ILE 22 1.775 -1.240 -15.208 163 H HIS 23 H HIS 23 6.832 0.566 -12.211 164 HA HIS 23 HA HIS 23 8.620 -1.275 -13.571 165 1HB HIS 23 1HB HIS 23 7.791 1.390 -14.568 166 2HB HIS 23 2HB HIS 23 9.517 1.087 -14.584 167 HD1 HIS 23 HD1 HIS 23 8.430 1.378 -17.296 168 HD2 HIS 23 HD2 HIS 23 8.253 -2.300 -15.288 169 HE1 HIS 23 HE1 HIS 23 8.161 -0.408 -19.099 170 HE2 HIS 23 HE2 HIS 23 8.113 -2.650 -17.808 171 H GLU 24 H GLU 24 8.418 -1.003 -10.835 172 HA GLU 24 HA GLU 24 10.965 0.217 -10.292 173 1HB GLU 24 1HB GLU 24 8.833 1.806 -9.815 174 2HB GLU 24 2HB GLU 24 8.801 0.892 -8.320 175 1HG GLU 24 1HG GLU 24 11.066 2.608 -9.408 176 2HG GLU 24 2HG GLU 24 10.194 2.811 -7.902 177 H ILE 25 H ILE 25 8.097 -1.656 -9.192 178 HA ILE 25 HA ILE 25 9.877 -3.117 -7.372 179 HB ILE 25 HB ILE 25 6.873 -3.126 -7.273 180 1HG1 ILE 25 1HG1 ILE 25 8.042 -0.767 -7.151 181 2HG1 ILE 25 2HG1 ILE 25 6.741 -1.196 -6.058 182 1HG2 ILE 25 1HG2 ILE 25 7.423 -4.749 -5.818 183 2HG2 ILE 25 2HG2 ILE 25 9.096 -4.170 -5.632 184 3HG2 ILE 25 3HG2 ILE 25 7.778 -3.387 -4.728 185 1HD1 ILE 25 1HD1 ILE 25 8.107 -1.182 -4.227 186 2HD1 ILE 25 2HD1 ILE 25 9.416 -2.028 -5.086 187 3HD1 ILE 25 3HD1 ILE 25 9.224 -0.268 -5.270 188 H TYR 26 H TYR 26 8.850 -3.212 -10.476 189 HA TYR 26 HA TYR 26 7.534 -5.418 -11.096 190 1HB TYR 26 1HB TYR 26 9.151 -3.698 -12.397 191 2HB TYR 26 2HB TYR 26 10.355 -4.955 -12.190 192 HD1 TYR 26 HD1 TYR 26 9.375 -3.905 -14.850 193 HD2 TYR 26 HD2 TYR 26 8.050 -7.188 -12.448 194 HE1 TYR 26 HE1 TYR 26 8.505 -5.084 -16.928 195 HE2 TYR 26 HE2 TYR 26 7.184 -8.356 -14.534 196 HH TYR 26 HH TYR 26 6.726 -8.128 -16.662 197 H ASN 27 H ASN 27 11.055 -5.446 -10.189 198 HA ASN 27 HA ASN 27 10.877 -8.319 -10.010 199 1HB ASN 27 1HB ASN 27 12.857 -6.821 -11.022 200 2HB ASN 27 2HB ASN 27 13.369 -6.717 -9.349 201 1HD2 ASN 27 1HD2 ASN 27 13.378 -8.532 -12.181 202 2HD2 ASN 27 2HD2 ASN 27 14.050 -10.015 -11.590 203 H GLU 28 H GLU 28 9.475 -8.297 -8.038 204 HA GLU 28 HA GLU 28 11.066 -8.193 -5.683 205 1HB GLU 28 1HB GLU 28 8.951 -6.115 -6.229 206 2HB GLU 28 2HB GLU 28 9.123 -6.710 -4.590 207 1HG GLU 28 1HG GLU 28 11.773 -6.264 -5.319 208 2HG GLU 28 2HG GLU 28 10.943 -4.975 -6.168 209 H THR 29 H THR 29 7.603 -7.627 -5.382 210 HA THR 29 HA THR 29 6.670 -10.234 -5.775 211 HB THR 29 HB THR 29 8.286 -9.946 -3.435 212 HG1 THR 29 HG1 THR 29 7.889 -11.910 -4.617 213 1HG2 THR 29 1HG2 THR 29 5.290 -10.219 -2.863 214 2HG2 THR 29 2HG2 THR 29 6.566 -10.725 -1.730 215 3HG2 THR 29 3HG2 THR 29 6.395 -9.009 -2.170 216 H VAL 30 H VAL 30 6.377 -7.396 -3.540 217 HA VAL 30 HA VAL 30 3.746 -7.441 -3.031 218 HB VAL 30 HB VAL 30 3.855 -5.043 -2.826 219 1HG1 VAL 30 1HG1 VAL 30 5.138 -6.573 -1.245 220 2HG1 VAL 30 2HG1 VAL 30 6.608 -6.092 -2.125 221 3HG1 VAL 30 3HG1 VAL 30 5.640 -4.866 -1.272 222 1HG2 VAL 30 1HG2 VAL 30 6.483 -4.402 -3.694 223 2HG2 VAL 30 2HG2 VAL 30 5.676 -5.243 -5.039 224 3HG2 VAL 30 3HG2 VAL 30 4.934 -3.792 -4.323 225 H LYS 31 H LYS 31 5.296 -6.908 -6.165 226 HA LYS 31 HA LYS 31 3.345 -5.595 -7.546 227 1HB LYS 31 1HB LYS 31 5.592 -6.217 -8.392 228 2HB LYS 31 2HB LYS 31 5.070 -7.883 -8.542 229 1HG LYS 31 1HG LYS 31 3.083 -6.250 -9.835 230 2HG LYS 31 2HG LYS 31 4.650 -5.692 -10.386 231 1HD LYS 31 1HD LYS 31 4.139 -8.669 -10.291 232 2HD LYS 31 2HD LYS 31 3.410 -7.740 -11.586 233 1HE LYS 31 1HE LYS 31 5.455 -7.232 -12.574 234 2HE LYS 31 2HE LYS 31 6.315 -7.208 -11.047 235 1HZ LYS 31 1HZ LYS 31 6.140 -9.289 -12.842 236 2HZ LYS 31 2HZ LYS 31 6.902 -9.283 -11.397 237 3HZ LYS 31 3HZ LYS 31 5.350 -9.781 -11.499 238 H THR 32 H THR 32 3.225 -8.762 -6.069 239 HA THR 32 HA THR 32 0.932 -9.552 -7.686 240 HB THR 32 HB THR 32 2.684 -11.226 -7.195 241 HG1 THR 32 HG1 THR 32 0.374 -11.832 -7.151 242 1HG2 THR 32 1HG2 THR 32 2.567 -10.027 -4.534 243 2HG2 THR 32 2HG2 THR 32 2.191 -11.764 -4.434 244 3HG2 THR 32 3HG2 THR 32 3.724 -11.226 -5.160 245 H GLY 33 H GLY 33 1.737 -8.167 -4.532 246 1HA GLY 33 1HA GLY 33 -0.284 -8.725 -2.894 247 2HA GLY 33 2HA GLY 33 0.318 -7.094 -3.113 248 H HIS 34 H HIS 34 -0.746 -5.652 -4.683 249 HA HIS 34 HA HIS 34 -2.486 -4.765 -5.681 250 1HB HIS 34 1HB HIS 34 -3.160 -7.663 -6.191 251 2HB HIS 34 2HB HIS 34 -4.204 -6.367 -6.740 252 HD1 HIS 34 HD1 HIS 34 -3.557 -5.163 -8.881 253 HD2 HIS 34 HD2 HIS 34 -0.493 -7.612 -7.394 254 HE1 HIS 34 HE1 HIS 34 -1.749 -5.220 -10.681 255 HE2 HIS 34 HE2 HIS 34 0.130 -6.695 -9.688 256 H VAL 35 H VAL 35 -3.522 -3.591 -4.118 257 HA VAL 35 HA VAL 35 -4.892 -4.852 -1.977 258 HB VAL 35 HB VAL 35 -4.990 -1.992 -2.959 259 1HG1 VAL 35 1HG1 VAL 35 -6.281 -3.382 -0.761 260 2HG1 VAL 35 2HG1 VAL 35 -5.216 -2.087 -0.164 261 3HG1 VAL 35 3HG1 VAL 35 -6.501 -1.713 -1.338 262 1HG2 VAL 35 1HG2 VAL 35 -3.178 -3.144 -0.818 263 2HG2 VAL 35 2HG2 VAL 35 -2.674 -2.900 -2.508 264 3HG2 VAL 35 3HG2 VAL 35 -3.152 -1.504 -1.511 265 H THR 36 H THR 36 -7.168 -4.936 -1.571 266 HA THR 36 HA THR 36 -8.735 -4.917 -4.058 267 HB THR 36 HB THR 36 -10.247 -6.362 -2.392 268 HG1 THR 36 HG1 THR 36 -8.571 -7.417 -0.912 269 1HG2 THR 36 1HG2 THR 36 -7.730 -7.118 -3.868 270 2HG2 THR 36 2HG2 THR 36 -8.381 -8.306 -2.713 271 3HG2 THR 36 3HG2 THR 36 -9.385 -7.741 -4.070 272 H HIS 37 H HIS 37 -8.418 -3.507 -0.827 273 HA HIS 37 HA HIS 37 -10.209 -1.444 -1.580 274 1HB HIS 37 1HB HIS 37 -11.672 -3.452 -0.804 275 2HB HIS 37 2HB HIS 37 -11.130 -3.032 0.808 276 HD1 HIS 37 HD1 HIS 37 -13.837 -2.585 1.065 277 HD2 HIS 37 HD2 HIS 37 -11.644 0.167 -1.217 278 HE1 HIS 37 HE1 HIS 37 -15.281 -0.489 0.892 279 HE2 HIS 37 HE2 HIS 37 -13.858 1.186 -0.474 280 H VAL 38 H VAL 38 -8.093 -0.413 -1.212 281 HA VAL 38 HA VAL 38 -6.955 -0.502 1.396 282 HB VAL 38 HB VAL 38 -5.523 -0.154 -0.449 283 1HG1 VAL 38 1HG1 VAL 38 -6.394 0.748 -2.305 284 2HG1 VAL 38 2HG1 VAL 38 -7.667 1.594 -1.393 285 3HG1 VAL 38 3HG1 VAL 38 -6.058 2.334 -1.571 286 1HG2 VAL 38 1HG2 VAL 38 -4.497 2.082 0.058 287 2HG2 VAL 38 2HG2 VAL 38 -5.898 2.428 1.100 288 3HG2 VAL 38 3HG2 VAL 38 -4.812 1.073 1.491 289 H LYS 39 H LYS 39 -7.425 0.716 3.168 290 HA LYS 39 HA LYS 39 -9.558 2.671 2.847 291 1HB LYS 39 1HB LYS 39 -10.091 1.159 4.539 292 2HB LYS 39 2HB LYS 39 -8.450 1.082 5.146 293 1HG LYS 39 1HG LYS 39 -9.703 2.408 6.725 294 2HG LYS 39 2HG LYS 39 -8.668 3.521 5.852 295 1HD LYS 39 1HD LYS 39 -11.345 3.069 4.611 296 2HD LYS 39 2HD LYS 39 -11.386 3.853 6.178 297 1HE LYS 39 1HE LYS 39 -9.485 5.398 5.188 298 2HE LYS 39 2HE LYS 39 -10.031 4.803 3.633 299 1HZ LYS 39 1HZ LYS 39 -11.367 6.548 5.476 300 2HZ LYS 39 2HZ LYS 39 -11.464 6.480 3.848 301 3HZ LYS 39 3HZ LYS 39 -12.331 5.441 4.761 302 H LEU 40 H LEU 40 -8.604 4.515 1.990 303 HA LEU 40 HA LEU 40 -6.360 5.590 3.547 304 1HB LEU 40 1HB LEU 40 -5.700 5.201 1.308 305 2HB LEU 40 2HB LEU 40 -7.166 5.912 0.664 306 HG LEU 40 HG LEU 40 -5.201 7.354 0.357 307 1HD1 LEU 40 1HD1 LEU 40 -7.708 8.117 1.074 308 2HD1 LEU 40 2HD1 LEU 40 -6.734 8.965 2.299 309 3HD1 LEU 40 3HD1 LEU 40 -6.417 9.233 0.568 310 1HD2 LEU 40 1HD2 LEU 40 -4.393 6.537 2.821 311 2HD2 LEU 40 2HD2 LEU 40 -3.753 7.961 1.965 312 3HD2 LEU 40 3HD2 LEU 40 -5.028 8.158 3.191 313 H SER 41 H SER 41 -6.530 7.610 4.499 314 HA SER 41 HA SER 41 -8.660 9.331 3.793 315 1HB SER 41 1HB SER 41 -9.550 9.318 6.256 316 2HB SER 41 2HB SER 41 -10.118 8.089 5.143 317 HG SER 41 HG SER 41 -7.767 7.509 6.649 318 H ASP 42 H ASP 42 -8.725 11.162 5.754 319 HA ASP 42 HA ASP 42 -7.646 12.707 6.830 320 1HB ASP 42 1HB ASP 42 -6.650 10.622 8.053 321 2HB ASP 42 2HB ASP 42 -5.212 10.898 7.090 322 H ASP 43 H ASP 43 -7.598 13.372 4.337 323 HA ASP 43 HA ASP 43 -6.574 14.175 2.592 324 1HB ASP 43 1HB ASP 43 -4.873 15.014 4.922 325 2HB ASP 43 2HB ASP 43 -4.198 15.291 3.329 326 H LEU 44 H LEU 44 -6.203 11.529 2.415 327 HA LEU 44 HA LEU 44 -4.834 9.802 2.007 328 1HB LEU 44 1HB LEU 44 -3.128 10.530 0.146 329 2HB LEU 44 2HB LEU 44 -4.852 10.436 -0.153 330 HG LEU 44 HG LEU 44 -4.804 12.990 0.521 331 1HD1 LEU 44 1HD1 LEU 44 -2.021 12.731 -0.620 332 2HD1 LEU 44 2HD1 LEU 44 -2.811 14.163 0.084 333 3HD1 LEU 44 3HD1 LEU 44 -2.338 12.802 1.130 334 1HD2 LEU 44 1HD2 LEU 44 -4.059 11.739 -2.116 335 2HD2 LEU 44 2HD2 LEU 44 -5.618 12.419 -1.589 336 3HD2 LEU 44 3HD2 LEU 44 -4.249 13.501 -1.940 337 H LEU 45 H LEU 45 -4.133 10.374 4.451 338 HA LEU 45 HA LEU 45 -1.232 10.818 4.400 339 1HB LEU 45 1HB LEU 45 -3.317 11.280 6.526 340 2HB LEU 45 2HB LEU 45 -1.603 11.229 6.886 341 HG LEU 45 HG LEU 45 -2.689 13.109 4.794 342 1HD1 LEU 45 1HD1 LEU 45 -2.241 14.186 7.519 343 2HD1 LEU 45 2HD1 LEU 45 -3.431 14.642 6.277 344 3HD1 LEU 45 3HD1 LEU 45 -3.706 13.203 7.287 345 1HD2 LEU 45 1HD2 LEU 45 -0.130 12.473 5.456 346 2HD2 LEU 45 2HD2 LEU 45 -0.640 14.029 4.759 347 3HD2 LEU 45 3HD2 LEU 45 -0.420 13.872 6.518 348 H HIS 46 H HIS 46 -3.899 8.759 5.695 349 HA HIS 46 HA HIS 46 -1.851 6.738 6.247 350 1HB HIS 46 1HB HIS 46 -4.459 7.396 7.601 351 2HB HIS 46 2HB HIS 46 -3.774 5.788 7.726 352 HD1 HIS 46 HD1 HIS 46 -2.845 5.685 10.052 353 HD2 HIS 46 HD2 HIS 46 -1.808 9.240 8.082 354 HE1 HIS 46 HE1 HIS 46 -1.251 6.927 11.611 355 HE2 HIS 46 HE2 HIS 46 -0.606 9.077 10.323 356 H VAL 47 H VAL 47 -1.747 5.242 4.653 357 HA VAL 47 HA VAL 47 -4.248 4.627 3.248 358 HB VAL 47 HB VAL 47 -1.384 4.171 2.393 359 1HG1 VAL 47 1HG1 VAL 47 -2.384 3.810 0.154 360 2HG1 VAL 47 2HG1 VAL 47 -2.927 2.606 1.348 361 3HG1 VAL 47 3HG1 VAL 47 -4.005 3.942 0.877 362 1HG2 VAL 47 1HG2 VAL 47 -2.383 6.620 2.655 363 2HG2 VAL 47 2HG2 VAL 47 -1.367 6.169 1.265 364 3HG2 VAL 47 3HG2 VAL 47 -3.138 6.218 1.094 365 H THR 48 H THR 48 -5.191 3.024 4.491 366 HA THR 48 HA THR 48 -3.548 0.914 5.576 367 HB THR 48 HB THR 48 -6.558 1.487 5.539 368 HG1 THR 48 HG1 THR 48 -5.635 2.897 7.005 369 1HG2 THR 48 1HG2 THR 48 -6.014 -0.068 7.763 370 2HG2 THR 48 2HG2 THR 48 -6.711 -0.706 6.255 371 3HG2 THR 48 3HG2 THR 48 -4.959 -0.825 6.546 372 H VAL 49 H VAL 49 -2.574 -0.092 3.787 373 HA VAL 49 HA VAL 49 -4.242 -1.075 1.674 374 HB VAL 49 HB VAL 49 -2.192 -1.975 0.791 375 1HG1 VAL 49 1HG1 VAL 49 -1.418 0.697 1.969 376 2HG1 VAL 49 2HG1 VAL 49 -1.064 0.037 0.354 377 3HG1 VAL 49 3HG1 VAL 49 -2.719 0.551 0.762 378 1HG2 VAL 49 1HG2 VAL 49 -0.104 -2.016 1.951 379 2HG2 VAL 49 2HG2 VAL 49 -0.772 -1.099 3.322 380 3HG2 VAL 49 3HG2 VAL 49 -1.309 -2.770 3.023 381 H TYR 50 H TYR 50 -5.188 -3.066 1.492 382 HA TYR 50 HA TYR 50 -5.065 -4.758 3.836 383 1HB TYR 50 1HB TYR 50 -6.596 -4.584 1.181 384 2HB TYR 50 2HB TYR 50 -6.788 -5.988 2.211 385 HD1 TYR 50 HD1 TYR 50 -6.292 -2.639 3.663 386 HD2 TYR 50 HD2 TYR 50 -9.170 -5.595 2.531 387 HE1 TYR 50 HE1 TYR 50 -8.080 -1.419 4.997 388 HE2 TYR 50 HE2 TYR 50 -10.948 -4.366 3.869 389 HH TYR 50 HH TYR 50 -11.270 -2.823 5.438 390 H LEU 51 H LEU 51 -3.812 -4.631 0.522 391 HA LEU 51 HA LEU 51 -2.531 -5.998 -0.647 392 1HB LEU 51 1HB LEU 51 -1.722 -6.866 2.127 393 2HB LEU 51 2HB LEU 51 -0.922 -7.427 0.672 394 HG LEU 51 HG LEU 51 -0.960 -4.661 1.860 395 1HD1 LEU 51 1HD1 LEU 51 1.193 -5.025 2.336 396 2HD1 LEU 51 2HD1 LEU 51 0.824 -6.742 2.046 397 3HD1 LEU 51 3HD1 LEU 51 1.523 -5.750 0.744 398 1HD2 LEU 51 1HD2 LEU 51 -1.539 -4.274 -0.444 399 2HD2 LEU 51 2HD2 LEU 51 0.168 -3.835 -0.194 400 3HD2 LEU 51 3HD2 LEU 51 -0.249 -5.367 -0.999 401 H ASP 52 H ASP 52 -3.600 -7.393 -1.943 402 HA ASP 52 HA ASP 52 -4.538 -9.831 -0.656 403 1HB ASP 52 1HB ASP 52 -6.135 -7.839 -1.905 404 2HB ASP 52 2HB ASP 52 -6.039 -9.138 -3.076 405 H CYS 53 H CYS 53 -2.345 -10.605 -1.445 406 HA CYS 53 HA CYS 53 -1.742 -10.523 -4.198 407 1HB CYS 53 1HB CYS 53 -0.005 -12.265 -3.544 408 2HB CYS 53 2HB CYS 53 0.105 -10.709 -2.743 409 HG CYS 53 HG CYS 53 -1.947 -12.793 -1.374 410 H TYR 54 H TYR 54 -1.165 -13.710 -3.234 411 HA TYR 54 HA TYR 54 -3.228 -14.686 -4.994 412 1HB TYR 54 1HB TYR 54 -0.807 -15.682 -3.425 413 2HB TYR 54 2HB TYR 54 -1.944 -16.878 -4.015 414 HD1 TYR 54 HD1 TYR 54 -0.613 -13.732 -5.576 415 HD2 TYR 54 HD2 TYR 54 -0.972 -17.989 -5.811 416 HE1 TYR 54 HE1 TYR 54 0.535 -13.710 -7.844 417 HE2 TYR 54 HE2 TYR 54 0.178 -17.953 -8.078 418 HH TYR 54 HH TYR 54 1.995 -15.676 -9.139 419 H ASN 55 H ASN 55 -4.428 -13.458 -2.759 420 HA ASN 55 HA ASN 55 -6.145 -13.915 -1.478 421 1HB ASN 55 1HB ASN 55 -5.936 -16.356 -2.812 422 2HB ASN 55 2HB ASN 55 -5.753 -16.853 -1.142 423 1HD2 ASN 55 1HD2 ASN 55 -7.653 -17.786 -0.756 424 2HD2 ASN 55 2HD2 ASN 55 -9.201 -17.013 -0.835 425 H ARG 56 H ARG 56 -3.618 -13.200 -0.458 426 HA ARG 56 HA ARG 56 -2.500 -13.062 1.386 427 1HB ARG 56 1HB ARG 56 -4.869 -14.655 2.418 428 2HB ARG 56 2HB ARG 56 -3.508 -14.362 3.482 429 1HG ARG 56 1HG ARG 56 -4.387 -11.933 2.030 430 2HG ARG 56 2HG ARG 56 -5.638 -12.611 3.053 431 1HD ARG 56 1HD ARG 56 -2.928 -12.476 4.306 432 2HD ARG 56 2HD ARG 56 -3.655 -10.921 3.951 433 HE ARG 56 HE ARG 56 -5.687 -12.451 5.165 434 1HH1 ARG 56 1HH1 ARG 56 -2.499 -11.248 6.046 435 2HH1 ARG 56 2HH1 ARG 56 -2.864 -11.146 7.736 436 1HH2 ARG 56 1HH2 ARG 56 -6.169 -12.318 7.395 437 2HH2 ARG 56 2HH2 ARG 56 -4.966 -11.759 8.508 438 H GLU 57 H GLU 57 -2.630 -15.687 -0.491 439 HA GLU 57 HA GLU 57 -1.399 -17.597 1.235 440 1HB GLU 57 1HB GLU 57 -1.782 -17.603 -1.792 441 2HB GLU 57 2HB GLU 57 -1.240 -18.973 -0.843 442 1HG GLU 57 1HG GLU 57 -3.427 -18.687 0.531 443 2HG GLU 57 2HG GLU 57 -3.958 -17.603 -0.740 444 H GLN 58 H GLN 58 -0.386 -14.811 -0.461 445 HA GLN 58 HA GLN 58 2.357 -15.776 -0.315 446 1HB GLN 58 1HB GLN 58 1.310 -15.568 -2.716 447 2HB GLN 58 2HB GLN 58 1.475 -13.840 -2.476 448 1HG GLN 58 1HG GLN 58 3.583 -14.156 -3.315 449 2HG GLN 58 2HG GLN 58 3.968 -14.661 -1.682 450 1HE2 GLN 58 1HE2 GLN 58 3.254 -15.667 -4.936 451 2HE2 GLN 58 2HE2 GLN 58 3.771 -17.316 -4.812 452 H ILE 59 H ILE 59 0.169 -13.879 1.117 453 HA ILE 59 HA ILE 59 1.080 -11.291 1.051 454 HB ILE 59 HB ILE 59 -0.841 -12.700 2.382 455 1HG1 ILE 59 1HG1 ILE 59 -1.025 -10.281 3.592 456 2HG1 ILE 59 2HG1 ILE 59 0.081 -9.880 2.293 457 1HG2 ILE 59 1HG2 ILE 59 1.218 -11.802 4.407 458 2HG2 ILE 59 2HG2 ILE 59 -0.490 -12.108 4.803 459 3HG2 ILE 59 3HG2 ILE 59 0.530 -13.428 4.183 460 1HD1 ILE 59 1HD1 ILE 59 -2.783 -10.746 2.156 461 2HD1 ILE 59 2HD1 ILE 59 -1.894 -9.589 1.136 462 3HD1 ILE 59 3HD1 ILE 59 -1.709 -11.339 0.866 463 H ASP 60 H ASP 60 2.125 -13.982 3.254 464 HA ASP 60 HA ASP 60 3.852 -12.763 4.812 465 1HB ASP 60 1HB ASP 60 3.392 -15.369 4.122 466 2HB ASP 60 2HB ASP 60 4.989 -15.169 3.428 467 H ARG 61 H ARG 61 4.294 -13.544 1.325 468 HA ARG 61 HA ARG 61 6.998 -12.694 1.327 469 1HB ARG 61 1HB ARG 61 5.114 -13.159 -1.040 470 2HB ARG 61 2HB ARG 61 6.862 -13.071 -1.124 471 1HG ARG 61 1HG ARG 61 5.535 -15.103 0.698 472 2HG ARG 61 2HG ARG 61 5.686 -15.433 -1.017 473 1HD ARG 61 1HD ARG 61 8.239 -14.655 -0.553 474 2HD ARG 61 2HD ARG 61 7.845 -15.187 1.069 475 HE ARG 61 HE ARG 61 7.974 -17.382 0.304 476 1HH1 ARG 61 1HH1 ARG 61 7.193 -15.301 -2.424 477 2HH1 ARG 61 2HH1 ARG 61 7.234 -16.588 -3.582 478 1HH2 ARG 61 1HH2 ARG 61 8.028 -19.081 -1.223 479 2HH2 ARG 61 2HH2 ARG 61 7.712 -18.753 -2.894 480 H VAL 62 H VAL 62 3.807 -11.409 0.196 481 HA VAL 62 HA VAL 62 4.807 -9.086 -0.989 482 HB VAL 62 HB VAL 62 2.118 -9.480 0.329 483 1HG1 VAL 62 1HG1 VAL 62 3.256 -7.312 -1.094 484 2HG1 VAL 62 2HG1 VAL 62 2.078 -8.077 -2.187 485 3HG1 VAL 62 3HG1 VAL 62 1.565 -7.519 -0.577 486 1HG2 VAL 62 1HG2 VAL 62 1.645 -11.108 -1.117 487 2HG2 VAL 62 2HG2 VAL 62 2.014 -10.017 -2.475 488 3HG2 VAL 62 3HG2 VAL 62 3.300 -11.024 -1.767 489 H VAL 63 H VAL 63 3.112 -9.429 2.214 490 HA VAL 63 HA VAL 63 3.628 -6.921 3.145 491 HB VAL 63 HB VAL 63 3.472 -9.560 4.608 492 1HG1 VAL 63 1HG1 VAL 63 2.576 -7.631 6.365 493 2HG1 VAL 63 2HG1 VAL 63 4.173 -8.417 6.411 494 3HG1 VAL 63 3HG1 VAL 63 3.979 -6.843 5.603 495 1HG2 VAL 63 1HG2 VAL 63 1.525 -8.721 3.143 496 2HG2 VAL 63 2HG2 VAL 63 1.164 -9.176 4.826 497 3HG2 VAL 63 3HG2 VAL 63 1.313 -7.459 4.380 498 H GLY 64 H GLY 64 5.738 -9.849 3.291 499 1HA GLY 64 1HA GLY 64 7.787 -8.716 4.835 500 2HA GLY 64 2HA GLY 64 7.926 -10.081 3.745 501 H ALA 65 H ALA 65 6.925 -8.440 1.386 502 HA ALA 65 HA ALA 65 9.498 -7.450 0.620 503 1HB ALA 65 1HB ALA 65 8.268 -6.963 -1.526 504 2HB ALA 65 2HB ALA 65 8.140 -8.654 -0.984 505 3HB ALA 65 3HB ALA 65 6.777 -7.535 -0.740 506 H PHE 66 H PHE 66 6.241 -6.066 1.359 507 HA PHE 66 HA PHE 66 6.808 -3.447 0.706 508 1HB PHE 66 1HB PHE 66 4.994 -4.991 2.579 509 2HB PHE 66 2HB PHE 66 5.081 -3.261 2.842 510 HD1 PHE 66 HD1 PHE 66 4.181 -5.862 0.384 511 HD2 PHE 66 HD2 PHE 66 3.995 -1.739 1.372 512 HE1 PHE 66 HE1 PHE 66 2.499 -5.499 -1.444 513 HE2 PHE 66 HE2 PHE 66 2.313 -1.377 -0.456 514 HZ PHE 66 HZ PHE 66 1.585 -3.261 -1.842 515 H ASN 67 H ASN 67 7.913 -5.410 3.413 516 HA ASN 67 HA ASN 67 8.453 -3.221 5.108 517 1HB ASN 67 1HB ASN 67 8.872 -6.166 5.096 518 2HB ASN 67 2HB ASN 67 10.158 -5.297 5.910 519 1HD2 ASN 67 1HD2 ASN 67 9.662 -3.899 7.653 520 2HD2 ASN 67 2HD2 ASN 67 8.243 -4.119 8.621 521 H GLN 68 H GLN 68 9.485 -2.666 2.506 522 HA GLN 68 HA GLN 68 12.070 -1.940 3.087 523 1HB GLN 68 1HB GLN 68 13.383 -3.412 1.583 524 2HB GLN 68 2HB GLN 68 12.656 -4.320 2.894 525 1HG GLN 68 1HG GLN 68 11.120 -5.393 1.497 526 2HG GLN 68 2HG GLN 68 11.061 -4.067 0.354 527 1HE2 GLN 68 1HE2 GLN 68 12.141 -7.134 0.889 528 2HE2 GLN 68 2HE2 GLN 68 13.397 -7.259 -0.296 529 H ALA 69 H ALA 69 9.496 -2.710 0.780 530 HA ALA 69 HA ALA 69 10.602 -1.148 -1.343 531 1HB ALA 69 1HB ALA 69 7.899 -2.424 -0.799 532 2HB ALA 69 2HB ALA 69 8.253 -1.497 -2.277 533 3HB ALA 69 3HB ALA 69 9.170 -2.979 -1.915 534 H LYS 70 H LYS 70 8.967 -0.500 1.640 535 HA LYS 70 HA LYS 70 7.271 1.466 1.359 536 1HB LYS 70 1HB LYS 70 9.469 0.951 3.251 537 2HB LYS 70 2HB LYS 70 8.939 2.621 3.221 538 1HG LYS 70 1HG LYS 70 6.613 1.958 3.638 539 2HG LYS 70 2HG LYS 70 7.017 0.262 3.467 540 1HD LYS 70 1HD LYS 70 8.270 2.055 5.595 541 2HD LYS 70 2HD LYS 70 6.814 1.121 5.877 542 1HE LYS 70 1HE LYS 70 8.306 -0.484 6.580 543 2HE LYS 70 2HE LYS 70 8.395 -0.858 4.870 544 1HZ LYS 70 1HZ LYS 70 10.134 1.230 5.348 545 2HZ LYS 70 2HZ LYS 70 10.404 0.126 6.521 546 3HZ LYS 70 3HZ LYS 70 10.508 -0.309 4.950 547 H GLY 71 H GLY 71 10.818 1.865 0.776 548 1HA GLY 71 1HA GLY 71 11.262 4.404 0.345 549 2HA GLY 71 2HA GLY 71 11.759 3.208 -0.836 550 H VAL 72 H VAL 72 9.530 2.400 -2.157 551 HA VAL 72 HA VAL 72 8.814 4.791 -3.588 552 HB VAL 72 HB VAL 72 7.573 3.067 -4.999 553 1HG1 VAL 72 1HG1 VAL 72 10.139 2.006 -5.394 554 2HG1 VAL 72 2HG1 VAL 72 9.426 3.427 -6.194 555 3HG1 VAL 72 3HG1 VAL 72 10.408 3.633 -4.724 556 1HG2 VAL 72 1HG2 VAL 72 9.269 0.958 -3.740 557 2HG2 VAL 72 2HG2 VAL 72 7.764 1.413 -2.906 558 3HG2 VAL 72 3HG2 VAL 72 7.709 0.824 -4.585 559 H PHE 73 H PHE 73 7.267 2.346 -1.449 560 HA PHE 73 HA PHE 73 4.683 3.535 -1.779 561 1HB PHE 73 1HB PHE 73 5.701 1.659 0.423 562 2HB PHE 73 2HB PHE 73 4.065 1.759 -0.198 563 HD1 PHE 73 HD1 PHE 73 5.324 1.935 -3.170 564 HD2 PHE 73 HD2 PHE 73 5.564 -0.792 0.073 565 HE1 PHE 73 HE1 PHE 73 5.819 0.069 -4.775 566 HE2 PHE 73 HE2 PHE 73 6.059 -2.657 -1.532 567 HZ PHE 73 HZ PHE 73 6.180 -2.204 -3.937 568 H SER 74 H SER 74 6.587 5.512 -0.993 569 HA SER 74 HA SER 74 5.249 6.472 1.297 570 1HB SER 74 1HB SER 74 6.869 6.336 2.944 571 2HB SER 74 2HB SER 74 7.210 4.848 2.084 572 HG SER 74 HG SER 74 8.863 6.035 0.861 573 H ARG 75 H ARG 75 7.998 6.634 -1.011 574 HA ARG 75 HA ARG 75 8.351 9.409 -0.638 575 1HB ARG 75 1HB ARG 75 9.925 7.445 -1.667 576 2HB ARG 75 2HB ARG 75 9.263 8.054 -3.171 577 1HG ARG 75 1HG ARG 75 10.250 10.172 -2.919 578 2HG ARG 75 2HG ARG 75 10.309 10.059 -1.171 579 1HD ARG 75 1HD ARG 75 12.430 9.253 -1.253 580 2HD ARG 75 2HD ARG 75 11.920 7.915 -2.264 581 HE ARG 75 HE ARG 75 12.019 10.107 -4.000 582 1HH1 ARG 75 1HH1 ARG 75 14.299 8.479 -1.870 583 2HH1 ARG 75 2HH1 ARG 75 15.681 8.877 -2.835 584 1HH2 ARG 75 1HH2 ARG 75 13.842 10.633 -5.273 585 2HH2 ARG 75 2HH2 ARG 75 15.420 10.111 -4.784 586 H VAL 76 H VAL 76 6.224 7.354 -2.517 587 HA VAL 76 HA VAL 76 5.742 8.967 -4.724 588 HB VAL 76 HB VAL 76 4.002 7.020 -3.206 589 1HG1 VAL 76 1HG1 VAL 76 3.166 8.893 -5.148 590 2HG1 VAL 76 2HG1 VAL 76 3.265 7.323 -5.982 591 3HG1 VAL 76 3HG1 VAL 76 2.263 7.493 -4.520 592 1HG2 VAL 76 1HG2 VAL 76 5.115 6.420 -5.901 593 2HG2 VAL 76 2HG2 VAL 76 6.270 6.470 -4.548 594 3HG2 VAL 76 3HG2 VAL 76 4.880 5.359 -4.491 595 H LEU 77 H LEU 77 3.833 8.726 -1.634 596 HA LEU 77 HA LEU 77 2.340 11.053 -2.279 597 1HB LEU 77 1HB LEU 77 2.553 9.993 0.501 598 2HB LEU 77 2HB LEU 77 1.166 10.639 -0.353 599 HG LEU 77 HG LEU 77 1.743 8.361 -1.807 600 1HD1 LEU 77 1HD1 LEU 77 2.862 8.052 0.880 601 2HD1 LEU 77 2HD1 LEU 77 1.667 6.800 0.464 602 3HD1 LEU 77 3HD1 LEU 77 3.083 7.062 -0.583 603 1HD2 LEU 77 1HD2 LEU 77 -0.173 7.465 -0.108 604 2HD2 LEU 77 2HD2 LEU 77 -0.278 9.220 0.169 605 3HD2 LEU 77 3HD2 LEU 77 -0.472 8.565 -1.475 606 H ALA 78 H ALA 78 5.453 10.400 -0.793 607 HA ALA 78 HA ALA 78 5.747 12.556 0.876 608 1HB ALA 78 1HB ALA 78 7.827 11.355 -0.997 609 2HB ALA 78 2HB ALA 78 8.142 12.241 0.515 610 3HB ALA 78 3HB ALA 78 7.337 10.655 0.565 611 H HIS 79 H HIS 79 6.539 12.364 -2.669 612 HA HIS 79 HA HIS 79 7.343 14.953 -2.983 613 1HB HIS 79 1HB HIS 79 7.189 12.864 -4.604 614 2HB HIS 79 2HB HIS 79 5.703 13.637 -5.119 615 HD1 HIS 79 HD1 HIS 79 9.415 13.916 -5.344 616 HD2 HIS 79 HD2 HIS 79 6.054 16.198 -6.388 617 HE1 HIS 79 HE1 HIS 79 10.246 15.723 -6.943 618 HE2 HIS 79 HE2 HIS 79 8.127 17.059 -7.593 619 H ASN 80 H ASN 80 4.167 13.712 -2.243 620 HA ASN 80 HA ASN 80 2.820 16.000 -3.277 621 1HB ASN 80 1HB ASN 80 1.940 13.513 -2.873 622 2HB ASN 80 2HB ASN 80 1.632 14.078 -1.243 623 1HD2 ASN 80 1HD2 ASN 80 -0.268 13.221 -3.204 624 2HD2 ASN 80 2HD2 ASN 80 -1.349 14.535 -3.530 625 H LEU 81 H LEU 81 3.257 14.486 0.020 626 HA LEU 81 HA LEU 81 2.967 17.171 1.169 627 1HB LEU 81 1HB LEU 81 2.282 14.424 2.169 628 2HB LEU 81 2HB LEU 81 2.552 15.742 3.291 629 HG LEU 81 HG LEU 81 0.190 15.486 2.886 630 1HD1 LEU 81 1HD1 LEU 81 0.957 17.965 1.353 631 2HD1 LEU 81 2HD1 LEU 81 -0.387 17.717 2.493 632 3HD1 LEU 81 3HD1 LEU 81 1.286 17.797 3.094 633 1HD2 LEU 81 1HD2 LEU 81 -0.854 15.657 0.734 634 2HD2 LEU 81 2HD2 LEU 81 0.703 16.018 -0.050 635 3HD2 LEU 81 3HD2 LEU 81 0.410 14.407 0.648 636 H TYR 82 H TYR 82 4.736 14.025 1.604 637 HA TYR 82 HA TYR 82 6.893 13.654 2.032 638 1HB TYR 82 1HB TYR 82 6.882 16.142 0.795 639 2HB TYR 82 2HB TYR 82 7.508 16.599 2.367 640 HD1 TYR 82 HD1 TYR 82 8.864 13.661 2.590 641 HD2 TYR 82 HD2 TYR 82 9.036 16.906 -0.193 642 HE1 TYR 82 HE1 TYR 82 11.192 12.932 1.873 643 HE2 TYR 82 HE2 TYR 82 11.363 16.166 -0.901 644 HH TYR 82 HH TYR 82 13.182 14.930 -0.087 645 H LEU 83 H LEU 83 8.672 15.304 3.716 646 HA LEU 83 HA LEU 83 9.159 15.580 5.850 647 1HB LEU 83 1HB LEU 83 7.889 17.356 6.293 648 2HB LEU 83 2HB LEU 83 6.452 16.649 5.581 649 HG LEU 83 HG LEU 83 6.187 17.172 7.975 650 1HD1 LEU 83 1HD1 LEU 83 6.051 14.220 8.024 651 2HD1 LEU 83 2HD1 LEU 83 4.786 15.441 8.300 652 3HD1 LEU 83 3HD1 LEU 83 5.256 15.006 6.639 653 1HD2 LEU 83 1HD2 LEU 83 7.671 14.954 9.079 654 2HD2 LEU 83 2HD2 LEU 83 8.757 16.070 8.218 655 3HD2 LEU 83 3HD2 LEU 83 7.704 16.679 9.517 656 H ALA 84 H ALA 84 9.410 14.343 7.748 657 HA ALA 84 HA ALA 84 9.227 11.755 7.757 658 1HB ALA 84 1HB ALA 84 8.921 11.830 10.235 659 2HB ALA 84 2HB ALA 84 10.084 13.043 9.648 660 3HB ALA 84 3HB ALA 84 8.434 13.536 10.096 661 H LYS 85 H LYS 85 6.663 12.949 9.910 662 HA LYS 85 HA LYS 85 4.939 10.881 9.306 663 1HB LYS 85 1HB LYS 85 3.220 12.382 10.427 664 2HB LYS 85 2HB LYS 85 4.652 11.990 11.356 665 1HG LYS 85 1HG LYS 85 5.077 14.201 11.603 666 2HG LYS 85 2HG LYS 85 5.313 14.336 9.872 667 1HD LYS 85 1HD LYS 85 3.584 15.898 10.319 668 2HD LYS 85 2HD LYS 85 2.725 14.505 9.691 669 1HE LYS 85 1HE LYS 85 2.555 13.771 12.226 670 2HE LYS 85 2HE LYS 85 2.936 15.447 12.569 671 1HZ LYS 85 1HZ LYS 85 0.531 14.857 12.330 672 2HZ LYS 85 2HZ LYS 85 1.030 16.147 11.463 673 3HZ LYS 85 3HZ LYS 85 0.785 14.712 10.723 674 H ALA 86 H ALA 86 2.418 11.887 8.722 675 HA ALA 86 HA ALA 86 1.089 12.416 7.035 676 1HB ALA 86 1HB ALA 86 2.630 14.591 7.315 677 2HB ALA 86 2HB ALA 86 3.144 14.121 5.677 678 3HB ALA 86 3HB ALA 86 1.427 14.451 6.010 679 H VAL 87 H VAL 87 0.738 10.588 5.849 680 HA VAL 87 HA VAL 87 0.883 9.177 4.150 681 HB VAL 87 HB VAL 87 1.556 9.971 2.174 682 1HG1 VAL 87 1HG1 VAL 87 1.313 12.245 2.044 683 2HG1 VAL 87 2HG1 VAL 87 0.790 11.997 3.727 684 3HG1 VAL 87 3HG1 VAL 87 2.444 12.558 3.382 685 1HG2 VAL 87 1HG2 VAL 87 4.180 10.358 3.548 686 2HG2 VAL 87 2HG2 VAL 87 3.790 9.505 2.035 687 3HG2 VAL 87 3HG2 VAL 87 3.881 11.282 2.056 688 H GLN 88 H GLN 88 2.221 7.347 3.364 689 HA GLN 88 HA GLN 88 4.755 6.832 3.724 690 1HB GLN 88 1HB GLN 88 5.034 7.397 5.975 691 2HB GLN 88 2HB GLN 88 3.436 6.841 6.431 692 1HG GLN 88 1HG GLN 88 4.104 4.512 6.293 693 2HG GLN 88 2HG GLN 88 5.612 4.920 5.499 694 1HE2 GLN 88 1HE2 GLN 88 4.912 3.517 8.048 695 2HE2 GLN 88 2HE2 GLN 88 5.847 4.281 9.289 696 H ILE 89 H ILE 89 1.418 5.859 4.060 697 HA ILE 89 HA ILE 89 0.330 4.040 3.443 698 HB ILE 89 HB ILE 89 2.923 3.643 2.023 699 1HG1 ILE 89 1HG1 ILE 89 0.136 3.664 0.873 700 2HG1 ILE 89 2HG1 ILE 89 0.934 5.158 1.323 701 1HG2 ILE 89 1HG2 ILE 89 2.545 1.391 2.564 702 2HG2 ILE 89 2HG2 ILE 89 0.783 1.543 2.365 703 3HG2 ILE 89 3HG2 ILE 89 1.847 1.594 0.939 704 1HD1 ILE 89 1HD1 ILE 89 2.778 4.740 -0.199 705 2HD1 ILE 89 2HD1 ILE 89 2.215 3.080 -0.505 706 3HD1 ILE 89 3HD1 ILE 89 1.268 4.465 -1.100 707 H HIS 90 H HIS 90 -0.373 2.409 4.733 708 HA HIS 90 HA HIS 90 1.672 0.920 6.191 709 1HB HIS 90 1HB HIS 90 0.924 2.599 7.737 710 2HB HIS 90 2HB HIS 90 -0.759 2.285 7.365 711 HD1 HIS 90 HD1 HIS 90 2.236 0.498 8.944 712 HD2 HIS 90 HD2 HIS 90 -1.958 0.431 9.001 713 HE1 HIS 90 HE1 HIS 90 1.572 -1.150 10.775 714 HE2 HIS 90 HE2 HIS 90 -1.016 -1.107 10.800 715 H PHE 91 H PHE 91 1.083 -1.263 6.708 716 HA PHE 91 HA PHE 91 -0.973 -2.261 4.926 717 1HB PHE 91 1HB PHE 91 0.144 -4.427 5.464 718 2HB PHE 91 2HB PHE 91 1.365 -3.234 5.068 719 HD1 PHE 91 HD1 PHE 91 -0.426 -4.625 8.032 720 HD2 PHE 91 HD2 PHE 91 3.166 -2.970 6.494 721 HE1 PHE 91 HE1 PHE 91 0.716 -5.065 10.224 722 HE2 PHE 91 HE2 PHE 91 4.308 -3.411 8.685 723 HZ PHE 91 HZ PHE 91 3.069 -4.453 10.524 724 H VAL 92 H VAL 92 -2.286 -4.227 5.812 725 HA VAL 92 HA VAL 92 -2.867 -4.090 8.624 726 HB VAL 92 HB VAL 92 -4.581 -2.817 6.560 727 1HG1 VAL 92 1HG1 VAL 92 -6.269 -4.281 6.964 728 2HG1 VAL 92 2HG1 VAL 92 -5.583 -4.815 8.518 729 3HG1 VAL 92 3HG1 VAL 92 -6.484 -3.283 8.422 730 1HG2 VAL 92 1HG2 VAL 92 -5.279 -1.602 8.787 731 2HG2 VAL 92 2HG2 VAL 92 -3.795 -2.353 9.422 732 3HG2 VAL 92 3HG2 VAL 92 -3.708 -1.255 8.024 733 H LYS 93 H LYS 93 -4.845 -5.047 5.745 734 HA LYS 93 HA LYS 93 -5.233 -7.075 4.885 735 1HB LYS 93 1HB LYS 93 -3.604 -8.392 7.063 736 2HB LYS 93 2HB LYS 93 -4.026 -9.028 5.486 737 1HG LYS 93 1HG LYS 93 -2.684 -7.135 4.436 738 2HG LYS 93 2HG LYS 93 -2.168 -6.670 6.045 739 1HD LYS 93 1HD LYS 93 -1.802 -9.550 5.223 740 2HD LYS 93 2HD LYS 93 -0.720 -8.358 4.532 741 1HE LYS 93 1HE LYS 93 -1.201 -8.761 7.525 742 2HE LYS 93 2HE LYS 93 0.192 -9.354 6.642 743 1HZ LYS 93 1HZ LYS 93 -0.495 -6.624 7.334 744 2HZ LYS 93 2HZ LYS 93 0.953 -7.378 7.397 745 3HZ LYS 93 3HZ LYS 93 0.358 -6.871 5.963 746 H ASP 94 H ASP 94 -5.284 -6.722 8.466 747 HA ASP 94 HA ASP 94 -8.052 -7.488 8.365 748 1HB ASP 94 1HB ASP 94 -5.900 -9.161 9.507 749 2HB ASP 94 2HB ASP 94 -7.149 -8.797 10.681 750 H LYS 95 H LYS 95 -5.131 -6.549 10.292 751 HA LYS 95 HA LYS 95 -4.949 -5.393 12.208 752 1HB LYS 95 1HB LYS 95 -5.161 -3.797 10.166 753 2HB LYS 95 2HB LYS 95 -6.718 -3.368 10.846 754 1HG LYS 95 1HG LYS 95 -4.596 -3.415 12.894 755 2HG LYS 95 2HG LYS 95 -4.227 -2.300 11.594 756 1HD LYS 95 1HD LYS 95 -6.829 -1.631 11.957 757 2HD LYS 95 2HD LYS 95 -6.495 -2.235 13.568 758 1HE LYS 95 1HE LYS 95 -4.629 -0.664 13.842 759 2HE LYS 95 2HE LYS 95 -4.749 -0.157 12.169 760 1HZ LYS 95 1HZ LYS 95 -5.944 1.099 14.133 761 2HZ LYS 95 2HZ LYS 95 -6.537 1.094 12.611 762 3HZ LYS 95 3HZ LYS 95 -7.156 0.080 13.732 763 H ALA 96 H ALA 96 -6.907 -7.382 12.541 764 HA ALA 96 HA ALA 96 -9.259 -6.148 13.643 765 1HB ALA 96 1HB ALA 96 -9.562 -8.655 14.379 766 2HB ALA 96 2HB ALA 96 -9.699 -8.220 12.659 767 3HB ALA 96 3HB ALA 96 -8.197 -8.948 13.275 768 H ILE 97 H ILE 97 -6.778 -8.406 15.054 769 HA ILE 97 HA ILE 97 -7.338 -7.288 17.658 770 HB ILE 97 HB ILE 97 -5.692 -9.052 18.375 771 1HG1 ILE 97 1HG1 ILE 97 -5.988 -10.213 15.613 772 2HG1 ILE 97 2HG1 ILE 97 -4.676 -9.109 15.973 773 1HG2 ILE 97 1HG2 ILE 97 -7.640 -10.028 18.809 774 2HG2 ILE 97 2HG2 ILE 97 -8.397 -9.316 17.363 775 3HG2 ILE 97 3HG2 ILE 97 -7.500 -10.848 17.235 776 1HD1 ILE 97 1HD1 ILE 97 -4.537 -11.806 16.387 777 2HD1 ILE 97 2HD1 ILE 97 -3.582 -10.622 17.313 778 3HD1 ILE 97 3HD1 ILE 97 -5.096 -11.269 17.990 779 H ASP 98 H ASP 98 -4.805 -7.258 15.138 780 HA ASP 98 HA ASP 98 -2.866 -6.256 15.026 781 1HB ASP 98 1HB ASP 98 -4.514 -4.363 14.781 782 2HB ASP 98 2HB ASP 98 -4.370 -4.040 16.497 783 H ASN 99 H ASN 99 -2.955 -7.971 17.298 784 HA ASN 99 HA ASN 99 -1.240 -6.478 19.099 785 1HB ASN 99 1HB ASN 99 -3.814 -7.825 19.746 786 2HB ASN 99 2HB ASN 99 -2.495 -8.329 20.784 787 1HD2 ASN 99 1HD2 ASN 99 -4.573 -5.749 19.789 788 2HD2 ASN 99 2HD2 ASN 99 -4.144 -4.585 20.998 789 H ALA 100 H ALA 100 -2.635 -9.789 19.450 790 HA ALA 100 HA ALA 100 -0.096 -10.930 18.536 791 1HB ALA 100 1HB ALA 100 -0.302 -12.532 20.507 792 2HB ALA 100 2HB ALA 100 0.143 -10.858 20.920 793 3HB ALA 100 3HB ALA 100 -1.526 -11.424 21.172 794 H MET 101 H MET 101 -2.596 -12.792 20.200 795 HA MET 101 HA MET 101 -4.335 -13.278 18.177 796 1HB MET 101 1HB MET 101 -3.405 -15.573 17.389 797 2HB MET 101 2HB MET 101 -2.593 -14.157 16.750 798 1HG MET 101 1HG MET 101 -0.885 -14.368 18.629 799 2HG MET 101 2HG MET 101 -1.655 -15.869 19.102 800 1HE MET 101 1HE MET 101 1.564 -17.172 17.358 801 2HE MET 101 2HE MET 101 1.430 -15.667 18.300 802 3HE MET 101 3HE MET 101 0.578 -17.133 18.840 Start of MODEL 10 1 H LYS 6 H LYS 6 -15.245 6.472 -2.046 2 HA LYS 6 HA LYS 6 -16.334 8.096 -3.979 3 1HB LYS 6 1HB LYS 6 -15.283 9.709 -1.963 4 2HB LYS 6 2HB LYS 6 -14.024 9.696 -3.181 5 1HG LYS 6 1HG LYS 6 -16.022 10.098 -4.877 6 2HG LYS 6 2HG LYS 6 -16.903 10.607 -3.451 7 1HD LYS 6 1HD LYS 6 -14.533 11.978 -3.102 8 2HD LYS 6 2HD LYS 6 -14.631 11.940 -4.852 9 1HE LYS 6 1HE LYS 6 -17.250 12.583 -3.739 10 2HE LYS 6 2HE LYS 6 -16.046 13.667 -3.074 11 1HZ LYS 6 1HZ LYS 6 -15.306 14.075 -5.360 12 2HZ LYS 6 2HZ LYS 6 -16.537 13.162 -5.925 13 3HZ LYS 6 3HZ LYS 6 -16.851 14.540 -5.107 14 H GLU 7 H GLU 7 -13.758 9.096 -5.054 15 HA GLU 7 HA GLU 7 -11.917 6.994 -5.037 16 1HB GLU 7 1HB GLU 7 -14.046 6.954 -7.155 17 2HB GLU 7 2HB GLU 7 -12.408 6.595 -7.666 18 1HG GLU 7 1HG GLU 7 -12.552 5.055 -5.394 19 2HG GLU 7 2HG GLU 7 -14.232 5.025 -5.891 20 H ARG 8 H ARG 8 -12.704 8.454 -8.163 21 HA ARG 8 HA ARG 8 -11.348 9.666 -9.415 22 1HB ARG 8 1HB ARG 8 -13.062 11.215 -8.252 23 2HB ARG 8 2HB ARG 8 -11.760 11.728 -7.197 24 1HG ARG 8 1HG ARG 8 -11.318 11.805 -10.188 25 2HG ARG 8 2HG ARG 8 -12.301 13.055 -9.452 26 1HD ARG 8 1HD ARG 8 -9.445 12.341 -8.622 27 2HD ARG 8 2HD ARG 8 -9.900 13.730 -9.588 28 HE ARG 8 HE ARG 8 -11.325 13.584 -7.030 29 1HH1 ARG 8 1HH1 ARG 8 -8.415 14.717 -8.651 30 2HH1 ARG 8 2HH1 ARG 8 -8.084 15.945 -7.476 31 1HH2 ARG 8 1HH2 ARG 8 -10.889 15.205 -5.478 32 2HH2 ARG 8 2HH2 ARG 8 -9.501 16.225 -5.659 33 H LEU 9 H LEU 9 -10.361 11.483 -6.481 34 HA LEU 9 HA LEU 9 -7.668 11.467 -7.157 35 1HB LEU 9 1HB LEU 9 -8.439 13.189 -5.793 36 2HB LEU 9 2HB LEU 9 -9.219 12.095 -4.668 37 HG LEU 9 HG LEU 9 -6.609 11.332 -4.393 38 1HD1 LEU 9 1HD1 LEU 9 -6.527 14.337 -4.765 39 2HD1 LEU 9 2HD1 LEU 9 -5.184 13.265 -4.298 40 3HD1 LEU 9 3HD1 LEU 9 -5.888 13.152 -5.929 41 1HD2 LEU 9 1HD2 LEU 9 -8.562 12.262 -2.782 42 2HD2 LEU 9 2HD2 LEU 9 -6.885 11.988 -2.252 43 3HD2 LEU 9 3HD2 LEU 9 -7.420 13.625 -2.701 44 H GLU 10 H GLU 10 -9.428 9.541 -4.626 45 HA GLU 10 HA GLU 10 -7.281 8.102 -3.781 46 1HB GLU 10 1HB GLU 10 -9.733 8.182 -2.913 47 2HB GLU 10 2HB GLU 10 -10.055 6.896 -4.058 48 1HG GLU 10 1HG GLU 10 -7.889 5.789 -2.934 49 2HG GLU 10 2HG GLU 10 -8.295 6.854 -1.602 50 H ASN 11 H ASN 11 -9.384 7.605 -6.647 51 HA ASN 11 HA ASN 11 -8.613 5.068 -7.289 52 1HB ASN 11 1HB ASN 11 -10.175 7.070 -8.452 53 2HB ASN 11 2HB ASN 11 -8.869 6.920 -9.611 54 1HD2 ASN 11 1HD2 ASN 11 -8.181 4.370 -9.656 55 2HD2 ASN 11 2HD2 ASN 11 -9.483 3.329 -10.128 56 H ASP 12 H ASP 12 -7.104 8.278 -7.970 57 HA ASP 12 HA ASP 12 -5.157 7.305 -9.711 58 1HB ASP 12 1HB ASP 12 -5.986 9.800 -8.713 59 2HB ASP 12 2HB ASP 12 -4.356 9.641 -8.090 60 H ILE 13 H ILE 13 -5.409 7.772 -6.154 61 HA ILE 13 HA ILE 13 -2.705 7.436 -5.535 62 HB ILE 13 HB ILE 13 -5.179 6.845 -3.905 63 1HG1 ILE 13 1HG1 ILE 13 -3.496 9.343 -3.764 64 2HG1 ILE 13 2HG1 ILE 13 -4.801 9.202 -4.925 65 1HG2 ILE 13 1HG2 ILE 13 -2.755 5.947 -3.250 66 2HG2 ILE 13 2HG2 ILE 13 -2.591 7.613 -2.646 67 3HG2 ILE 13 3HG2 ILE 13 -3.904 6.573 -2.044 68 1HD1 ILE 13 1HD1 ILE 13 -6.284 9.737 -3.305 69 2HD1 ILE 13 2HD1 ILE 13 -5.826 8.265 -2.415 70 3HD1 ILE 13 3HD1 ILE 13 -4.968 9.794 -2.107 71 H ILE 14 H ILE 14 -5.452 5.066 -5.637 72 HA ILE 14 HA ILE 14 -4.005 2.845 -4.896 73 HB ILE 14 HB ILE 14 -6.481 3.338 -6.484 74 1HG1 ILE 14 1HG1 ILE 14 -7.308 1.768 -4.577 75 2HG1 ILE 14 2HG1 ILE 14 -5.766 2.119 -3.823 76 1HG2 ILE 14 1HG2 ILE 14 -6.828 0.872 -6.654 77 2HG2 ILE 14 2HG2 ILE 14 -5.544 1.506 -7.712 78 3HG2 ILE 14 3HG2 ILE 14 -5.118 0.648 -6.212 79 1HD1 ILE 14 1HD1 ILE 14 -7.774 4.224 -4.752 80 2HD1 ILE 14 2HD1 ILE 14 -7.534 3.699 -3.069 81 3HD1 ILE 14 3HD1 ILE 14 -6.230 4.551 -3.930 82 H ARG 15 H ARG 15 -4.645 4.114 -8.238 83 HA ARG 15 HA ARG 15 -3.100 2.172 -9.464 84 1HB ARG 15 1HB ARG 15 -4.725 3.492 -10.733 85 2HB ARG 15 2HB ARG 15 -3.905 4.989 -10.333 86 1HG ARG 15 1HG ARG 15 -1.911 4.278 -11.628 87 2HG ARG 15 2HG ARG 15 -2.657 2.729 -11.969 88 1HD ARG 15 1HD ARG 15 -4.456 4.919 -12.718 89 2HD ARG 15 2HD ARG 15 -2.898 5.113 -13.495 90 HE ARG 15 HE ARG 15 -4.844 2.983 -13.995 91 1HH1 ARG 15 1HH1 ARG 15 -1.453 3.894 -14.227 92 2HH1 ARG 15 2HH1 ARG 15 -1.103 2.760 -15.488 93 1HH2 ARG 15 1HH2 ARG 15 -4.382 1.486 -15.659 94 2HH2 ARG 15 2HH2 ARG 15 -2.780 1.381 -16.308 95 H LEU 16 H LEU 16 -2.224 4.855 -7.495 96 HA LEU 16 HA LEU 16 0.185 5.594 -8.777 97 1HB LEU 16 1HB LEU 16 -1.378 6.620 -6.802 98 2HB LEU 16 2HB LEU 16 -0.055 5.960 -5.861 99 HG LEU 16 HG LEU 16 0.440 8.244 -6.294 100 1HD1 LEU 16 1HD1 LEU 16 2.229 7.211 -8.393 101 2HD1 LEU 16 2HD1 LEU 16 2.601 7.949 -6.816 102 3HD1 LEU 16 3HD1 LEU 16 2.169 6.225 -6.912 103 1HD2 LEU 16 1HD2 LEU 16 -1.132 8.190 -8.408 104 2HD2 LEU 16 2HD2 LEU 16 0.175 9.390 -8.261 105 3HD2 LEU 16 3HD2 LEU 16 0.406 7.943 -9.271 106 H ILE 17 H ILE 17 -0.468 3.609 -5.798 107 HA ILE 17 HA ILE 17 2.150 2.769 -5.473 108 HB ILE 17 HB ILE 17 -0.521 1.996 -4.505 109 1HG1 ILE 17 1HG1 ILE 17 0.816 3.570 -3.266 110 2HG1 ILE 17 2HG1 ILE 17 0.653 2.096 -2.333 111 1HG2 ILE 17 1HG2 ILE 17 1.756 0.018 -4.611 112 2HG2 ILE 17 2HG2 ILE 17 0.495 -0.048 -3.357 113 3HG2 ILE 17 3HG2 ILE 17 0.053 -0.208 -5.074 114 1HD1 ILE 17 1HD1 ILE 17 2.933 1.447 -3.598 115 2HD1 ILE 17 2HD1 ILE 17 3.080 3.218 -3.711 116 3HD1 ILE 17 3HD1 ILE 17 2.941 2.435 -2.118 117 H ASN 18 H ASN 18 -0.458 1.613 -7.614 118 HA ASN 18 HA ASN 18 0.734 -0.817 -8.242 119 1HB ASN 18 1HB ASN 18 -1.535 0.793 -9.129 120 2HB ASN 18 2HB ASN 18 -0.706 0.150 -10.534 121 1HD2 ASN 18 1HD2 ASN 18 -3.214 -0.653 -10.031 122 2HD2 ASN 18 2HD2 ASN 18 -3.275 -2.299 -9.496 123 H ARG 19 H ARG 19 0.709 2.447 -9.854 124 HA ARG 19 HA ARG 19 2.277 1.724 -11.998 125 1HB ARG 19 1HB ARG 19 1.233 4.182 -10.796 126 2HB ARG 19 2HB ARG 19 2.857 4.453 -11.396 127 1HG ARG 19 1HG ARG 19 1.572 2.921 -13.416 128 2HG ARG 19 2HG ARG 19 0.373 4.091 -12.900 129 1HD ARG 19 1HD ARG 19 2.245 5.880 -13.124 130 2HD ARG 19 2HD ARG 19 3.176 4.653 -13.959 131 HE ARG 19 HE ARG 19 0.778 4.566 -15.303 132 1HH1 ARG 19 1HH1 ARG 19 2.926 7.215 -14.435 133 2HH1 ARG 19 2HH1 ARG 19 2.489 8.186 -15.801 134 1HH2 ARG 19 1HH2 ARG 19 0.201 5.847 -17.105 135 2HH2 ARG 19 2HH2 ARG 19 0.928 7.403 -17.330 136 H THR 20 H THR 20 3.061 2.039 -8.652 137 HA THR 20 HA THR 20 5.774 2.904 -8.989 138 HB THR 20 HB THR 20 3.836 2.415 -6.858 139 HG1 THR 20 HG1 THR 20 4.928 4.397 -6.994 140 1HG2 THR 20 1HG2 THR 20 5.050 0.495 -6.087 141 2HG2 THR 20 2HG2 THR 20 6.609 1.172 -6.613 142 3HG2 THR 20 3HG2 THR 20 5.778 1.852 -5.194 143 H VAL 21 H VAL 21 4.402 -0.230 -7.771 144 HA VAL 21 HA VAL 21 6.648 -1.697 -7.802 145 HB VAL 21 HB VAL 21 3.990 -2.674 -8.853 146 1HG1 VAL 21 1HG1 VAL 21 5.990 -4.221 -8.908 147 2HG1 VAL 21 2HG1 VAL 21 6.026 -4.118 -7.131 148 3HG1 VAL 21 3HG1 VAL 21 4.604 -4.801 -7.955 149 1HG2 VAL 21 1HG2 VAL 21 3.672 -3.191 -6.302 150 2HG2 VAL 21 2HG2 VAL 21 4.827 -1.855 -6.084 151 3HG2 VAL 21 3HG2 VAL 21 3.291 -1.573 -6.938 152 H ILE 22 H ILE 22 4.532 -0.999 -10.657 153 HA ILE 22 HA ILE 22 5.025 -2.102 -12.734 154 HB ILE 22 HB ILE 22 6.131 0.640 -12.248 155 1HG1 ILE 22 1HG1 ILE 22 3.729 -0.446 -13.745 156 2HG1 ILE 22 2HG1 ILE 22 3.717 0.379 -12.199 157 1HG2 ILE 22 1HG2 ILE 22 6.783 -1.075 -14.503 158 2HG2 ILE 22 2HG2 ILE 22 5.914 0.392 -15.012 159 3HG2 ILE 22 3HG2 ILE 22 7.413 0.530 -14.062 160 1HD1 ILE 22 1HD1 ILE 22 5.159 2.003 -14.130 161 2HD1 ILE 22 2HD1 ILE 22 3.566 1.555 -14.786 162 3HD1 ILE 22 3HD1 ILE 22 3.680 2.397 -13.222 163 H HIS 23 H HIS 23 8.109 -0.364 -12.042 164 HA HIS 23 HA HIS 23 9.496 -2.913 -12.154 165 1HB HIS 23 1HB HIS 23 10.436 -2.626 -14.149 166 2HB HIS 23 2HB HIS 23 9.242 -1.377 -14.435 167 HD1 HIS 23 HD1 HIS 23 12.837 -1.913 -14.285 168 HD2 HIS 23 HD2 HIS 23 10.251 1.322 -13.623 169 HE1 HIS 23 HE1 HIS 23 14.279 0.190 -14.397 170 HE2 HIS 23 HE2 HIS 23 12.626 2.147 -14.037 171 H GLU 24 H GLU 24 8.780 -0.623 -10.206 172 HA GLU 24 HA GLU 24 11.438 0.374 -9.668 173 1HB GLU 24 1HB GLU 24 8.987 1.584 -9.507 174 2HB GLU 24 2HB GLU 24 9.174 1.061 -7.845 175 1HG GLU 24 1HG GLU 24 10.896 2.976 -9.434 176 2HG GLU 24 2HG GLU 24 10.195 3.193 -7.843 177 H ILE 25 H ILE 25 9.010 -1.931 -8.483 178 HA ILE 25 HA ILE 25 10.496 -2.364 -6.031 179 HB ILE 25 HB ILE 25 7.954 -3.578 -7.118 180 1HG1 ILE 25 1HG1 ILE 25 7.984 -1.110 -6.454 181 2HG1 ILE 25 2HG1 ILE 25 6.762 -2.131 -5.722 182 1HG2 ILE 25 1HG2 ILE 25 8.598 -5.261 -5.725 183 2HG2 ILE 25 2HG2 ILE 25 9.600 -4.196 -4.709 184 3HG2 ILE 25 3HG2 ILE 25 7.829 -4.185 -4.533 185 1HD1 ILE 25 1HD1 ILE 25 7.605 -0.950 -3.869 186 2HD1 ILE 25 2HD1 ILE 25 8.533 -2.468 -3.798 187 3HD1 ILE 25 3HD1 ILE 25 9.277 -1.000 -4.475 188 H TYR 26 H TYR 26 11.314 -2.992 -9.034 189 HA TYR 26 HA TYR 26 12.324 -4.632 -10.157 190 1HB TYR 26 1HB TYR 26 13.435 -4.191 -7.566 191 2HB TYR 26 2HB TYR 26 13.351 -5.938 -7.683 192 HD1 TYR 26 HD1 TYR 26 14.262 -3.174 -10.069 193 HD2 TYR 26 HD2 TYR 26 15.379 -6.887 -8.260 194 HE1 TYR 26 HE1 TYR 26 16.415 -3.194 -11.421 195 HE2 TYR 26 HE2 TYR 26 17.528 -6.894 -9.618 196 HH TYR 26 HH TYR 26 18.696 -4.194 -11.155 197 H ASN 27 H ASN 27 9.662 -5.338 -9.760 198 HA ASN 27 HA ASN 27 8.258 -6.998 -9.489 199 1HB ASN 27 1HB ASN 27 10.624 -8.167 -10.965 200 2HB ASN 27 2HB ASN 27 9.345 -9.268 -10.495 201 1HD2 ASN 27 1HD2 ASN 27 9.708 -9.100 -13.060 202 2HD2 ASN 27 2HD2 ASN 27 8.508 -8.156 -13.878 203 H GLU 28 H GLU 28 10.078 -6.531 -7.157 204 HA GLU 28 HA GLU 28 11.274 -8.664 -6.092 205 1HB GLU 28 1HB GLU 28 11.147 -6.428 -5.030 206 2HB GLU 28 2HB GLU 28 9.460 -6.690 -4.636 207 1HG GLU 28 1HG GLU 28 10.597 -7.252 -2.629 208 2HG GLU 28 2HG GLU 28 10.247 -8.808 -3.355 209 H THR 29 H THR 29 7.909 -7.845 -4.998 210 HA THR 29 HA THR 29 6.920 -10.450 -5.615 211 HB THR 29 HB THR 29 8.412 -10.196 -3.211 212 HG1 THR 29 HG1 THR 29 6.264 -11.963 -4.152 213 1HG2 THR 29 1HG2 THR 29 6.573 -10.858 -1.565 214 2HG2 THR 29 2HG2 THR 29 6.550 -9.137 -2.019 215 3HG2 THR 29 3HG2 THR 29 5.386 -10.267 -2.752 216 H VAL 30 H VAL 30 6.573 -7.471 -3.605 217 HA VAL 30 HA VAL 30 3.943 -7.459 -3.109 218 HB VAL 30 HB VAL 30 4.069 -5.116 -3.004 219 1HG1 VAL 30 1HG1 VAL 30 6.981 -5.828 -2.680 220 2HG1 VAL 30 2HG1 VAL 30 5.962 -4.766 -1.680 221 3HG1 VAL 30 3HG1 VAL 30 5.741 -6.531 -1.614 222 1HG2 VAL 30 1HG2 VAL 30 6.275 -5.303 -5.076 223 2HG2 VAL 30 2HG2 VAL 30 4.680 -4.528 -5.240 224 3HG2 VAL 30 3HG2 VAL 30 5.905 -3.823 -4.158 225 H LYS 31 H LYS 31 5.480 -7.399 -6.269 226 HA LYS 31 HA LYS 31 3.304 -6.303 -7.692 227 1HB LYS 31 1HB LYS 31 5.867 -6.743 -8.297 228 2HB LYS 31 2HB LYS 31 5.207 -8.217 -8.977 229 1HG LYS 31 1HG LYS 31 3.615 -5.803 -9.641 230 2HG LYS 31 2HG LYS 31 5.258 -5.738 -10.246 231 1HD LYS 31 1HD LYS 31 4.974 -7.912 -11.383 232 2HD LYS 31 2HD LYS 31 3.376 -8.103 -10.689 233 1HE LYS 31 1HE LYS 31 4.248 -5.954 -12.676 234 2HE LYS 31 2HE LYS 31 3.163 -7.292 -12.997 235 1HZ LYS 31 1HZ LYS 31 1.772 -5.538 -12.561 236 2HZ LYS 31 2HZ LYS 31 1.802 -6.292 -11.113 237 3HZ LYS 31 3HZ LYS 31 2.681 -4.935 -11.346 238 H THR 32 H THR 32 2.267 -8.107 -5.774 239 HA THR 32 HA THR 32 0.830 -9.871 -7.564 240 HB THR 32 HB THR 32 2.941 -11.108 -6.750 241 HG1 THR 32 HG1 THR 32 1.570 -12.916 -6.614 242 1HG2 THR 32 1HG2 THR 32 2.651 -12.090 -4.421 243 2HG2 THR 32 2HG2 THR 32 3.056 -10.356 -4.409 244 3HG2 THR 32 3HG2 THR 32 1.379 -10.880 -4.125 245 H GLY 33 H GLY 33 1.378 -8.446 -4.331 246 1HA GLY 33 1HA GLY 33 -0.711 -9.170 -2.854 247 2HA GLY 33 2HA GLY 33 -0.184 -7.503 -2.971 248 H HIS 34 H HIS 34 -1.088 -6.197 -4.892 249 HA HIS 34 HA HIS 34 -2.782 -5.410 -6.044 250 1HB HIS 34 1HB HIS 34 -3.461 -8.337 -6.174 251 2HB HIS 34 2HB HIS 34 -4.582 -7.149 -6.810 252 HD1 HIS 34 HD1 HIS 34 -4.176 -6.380 -9.167 253 HD2 HIS 34 HD2 HIS 34 -0.773 -8.132 -7.452 254 HE1 HIS 34 HE1 HIS 34 -2.434 -6.527 -11.026 255 HE2 HIS 34 HE2 HIS 34 -0.347 -7.561 -9.899 256 H VAL 35 H VAL 35 -3.510 -4.055 -4.367 257 HA VAL 35 HA VAL 35 -5.109 -5.010 -2.252 258 HB VAL 35 HB VAL 35 -4.773 -2.226 -3.388 259 1HG1 VAL 35 1HG1 VAL 35 -5.214 -1.926 -0.704 260 2HG1 VAL 35 2HG1 VAL 35 -6.459 -1.761 -1.965 261 3HG1 VAL 35 3HG1 VAL 35 -6.279 -3.299 -1.087 262 1HG2 VAL 35 1HG2 VAL 35 -3.052 -1.929 -1.672 263 2HG2 VAL 35 2HG2 VAL 35 -3.271 -3.613 -1.141 264 3HG2 VAL 35 3HG2 VAL 35 -2.629 -3.269 -2.765 265 H THR 36 H THR 36 -7.396 -4.674 -1.877 266 HA THR 36 HA THR 36 -8.952 -4.141 -4.306 267 HB THR 36 HB THR 36 -10.104 -6.203 -4.144 268 HG1 THR 36 HG1 THR 36 -8.907 -6.330 -1.466 269 1HG2 THR 36 1HG2 THR 36 -7.500 -6.542 -4.470 270 2HG2 THR 36 2HG2 THR 36 -7.544 -7.131 -2.791 271 3HG2 THR 36 3HG2 THR 36 -8.497 -7.954 -4.048 272 H HIS 37 H HIS 37 -8.209 -2.587 -1.832 273 HA HIS 37 HA HIS 37 -10.883 -1.733 -1.294 274 1HB HIS 37 1HB HIS 37 -9.803 -3.653 0.434 275 2HB HIS 37 2HB HIS 37 -9.569 -2.134 1.274 276 HD1 HIS 37 HD1 HIS 37 -11.596 -4.286 2.280 277 HD2 HIS 37 HD2 HIS 37 -12.602 -1.002 -0.127 278 HE1 HIS 37 HE1 HIS 37 -14.085 -3.865 2.650 279 HE2 HIS 37 HE2 HIS 37 -14.633 -1.801 1.188 280 H VAL 38 H VAL 38 -7.717 -1.499 0.473 281 HA VAL 38 HA VAL 38 -6.423 0.232 0.929 282 HB VAL 38 HB VAL 38 -7.264 0.612 -1.853 283 1HG1 VAL 38 1HG1 VAL 38 -6.345 2.978 -0.203 284 2HG1 VAL 38 2HG1 VAL 38 -6.110 2.887 -1.965 285 3HG1 VAL 38 3HG1 VAL 38 -7.754 2.859 -1.285 286 1HG2 VAL 38 1HG2 VAL 38 -4.572 1.360 -1.448 287 2HG2 VAL 38 2HG2 VAL 38 -4.892 0.028 -0.312 288 3HG2 VAL 38 3HG2 VAL 38 -5.194 -0.194 -2.052 289 H LYS 39 H LYS 39 -6.872 1.495 2.651 290 HA LYS 39 HA LYS 39 -9.057 3.422 2.341 291 1HB LYS 39 1HB LYS 39 -10.048 1.666 3.604 292 2HB LYS 39 2HB LYS 39 -8.630 1.477 4.616 293 1HG LYS 39 1HG LYS 39 -9.994 2.755 6.020 294 2HG LYS 39 2HG LYS 39 -9.059 4.017 5.243 295 1HD LYS 39 1HD LYS 39 -11.594 3.148 3.872 296 2HD LYS 39 2HD LYS 39 -11.763 4.075 5.350 297 1HE LYS 39 1HE LYS 39 -11.493 5.925 4.047 298 2HE LYS 39 2HE LYS 39 -9.792 5.506 3.998 299 1HZ LYS 39 1HZ LYS 39 -10.050 5.216 1.846 300 2HZ LYS 39 2HZ LYS 39 -11.021 3.933 2.122 301 3HZ LYS 39 3HZ LYS 39 -11.668 5.420 1.925 302 H LEU 40 H LEU 40 -8.367 5.463 2.686 303 HA LEU 40 HA LEU 40 -5.753 5.773 3.933 304 1HB LEU 40 1HB LEU 40 -7.324 7.175 1.899 305 2HB LEU 40 2HB LEU 40 -6.577 8.253 3.062 306 HG LEU 40 HG LEU 40 -5.140 7.989 1.141 307 1HD1 LEU 40 1HD1 LEU 40 -3.377 6.427 2.765 308 2HD1 LEU 40 2HD1 LEU 40 -3.399 8.187 2.497 309 3HD1 LEU 40 3HD1 LEU 40 -4.356 7.475 3.819 310 1HD2 LEU 40 1HD2 LEU 40 -4.360 5.208 1.495 311 2HD2 LEU 40 2HD2 LEU 40 -6.078 5.373 1.061 312 3HD2 LEU 40 3HD2 LEU 40 -4.825 6.092 0.021 313 H SER 41 H SER 41 -5.408 7.409 5.608 314 HA SER 41 HA SER 41 -7.759 8.396 6.902 315 1HB SER 41 1HB SER 41 -5.896 6.732 8.615 316 2HB SER 41 2HB SER 41 -7.525 7.269 8.977 317 HG SER 41 HG SER 41 -6.784 4.916 7.933 318 H ASP 42 H ASP 42 -7.278 10.218 8.246 319 HA ASP 42 HA ASP 42 -6.142 11.902 9.006 320 1HB ASP 42 1HB ASP 42 -4.656 9.766 9.858 321 2HB ASP 42 2HB ASP 42 -3.453 10.582 8.880 322 H ASP 43 H ASP 43 -6.436 13.034 6.931 323 HA ASP 43 HA ASP 43 -5.883 13.829 4.962 324 1HB ASP 43 1HB ASP 43 -4.345 14.942 6.861 325 2HB ASP 43 2HB ASP 43 -3.050 14.189 5.952 326 H LEU 44 H LEU 44 -5.827 11.182 4.517 327 HA LEU 44 HA LEU 44 -4.762 9.399 3.657 328 1HB LEU 44 1HB LEU 44 -3.511 10.438 1.441 329 2HB LEU 44 2HB LEU 44 -5.187 9.942 1.564 330 HG LEU 44 HG LEU 44 -5.570 12.406 2.400 331 1HD1 LEU 44 1HD1 LEU 44 -3.984 13.961 2.067 332 2HD1 LEU 44 2HD1 LEU 44 -2.869 12.575 2.138 333 3HD1 LEU 44 3HD1 LEU 44 -3.406 13.207 0.562 334 1HD2 LEU 44 1HD2 LEU 44 -6.728 12.291 0.508 335 2HD2 LEU 44 2HD2 LEU 44 -5.276 12.871 -0.344 336 3HD2 LEU 44 3HD2 LEU 44 -5.584 11.124 -0.196 337 H LEU 45 H LEU 45 -3.289 10.229 5.851 338 HA LEU 45 HA LEU 45 -0.542 10.514 4.991 339 1HB LEU 45 1HB LEU 45 -1.893 10.434 7.686 340 2HB LEU 45 2HB LEU 45 -0.153 10.488 7.492 341 HG LEU 45 HG LEU 45 -1.839 12.579 6.151 342 1HD1 LEU 45 1HD1 LEU 45 -2.731 13.222 8.089 343 2HD1 LEU 45 2HD1 LEU 45 -1.679 12.139 9.032 344 3HD1 LEU 45 3HD1 LEU 45 -1.093 13.748 8.545 345 1HD2 LEU 45 1HD2 LEU 45 0.085 13.853 6.111 346 2HD2 LEU 45 2HD2 LEU 45 0.811 13.003 7.496 347 3HD2 LEU 45 3HD2 LEU 45 0.731 12.207 5.906 348 H HIS 46 H HIS 46 -2.808 8.045 6.196 349 HA HIS 46 HA HIS 46 -0.613 6.117 5.963 350 1HB HIS 46 1HB HIS 46 -2.896 6.268 7.926 351 2HB HIS 46 2HB HIS 46 -2.108 4.743 7.574 352 HD1 HIS 46 HD1 HIS 46 -0.357 4.201 9.255 353 HD2 HIS 46 HD2 HIS 46 -0.653 8.331 8.586 354 HE1 HIS 46 HE1 HIS 46 1.369 5.298 10.781 355 HE2 HIS 46 HE2 HIS 46 1.177 7.831 10.286 356 H VAL 47 H VAL 47 -0.850 4.617 4.375 357 HA VAL 47 HA VAL 47 -3.487 4.475 3.112 358 HB VAL 47 HB VAL 47 -0.715 3.755 2.143 359 1HG1 VAL 47 1HG1 VAL 47 -2.650 2.298 1.295 360 2HG1 VAL 47 2HG1 VAL 47 -3.229 3.761 0.462 361 3HG1 VAL 47 3HG1 VAL 47 -1.627 3.090 0.073 362 1HG2 VAL 47 1HG2 VAL 47 -2.547 5.887 1.032 363 2HG2 VAL 47 2HG2 VAL 47 -1.417 6.219 2.367 364 3HG2 VAL 47 3HG2 VAL 47 -0.796 5.678 0.789 365 H THR 48 H THR 48 -4.675 2.951 4.209 366 HA THR 48 HA THR 48 -3.398 0.555 5.175 367 HB THR 48 HB THR 48 -6.318 1.484 5.089 368 HG1 THR 48 HG1 THR 48 -5.354 2.808 6.594 369 1HG2 THR 48 1HG2 THR 48 -5.500 -1.079 5.626 370 2HG2 THR 48 2HG2 THR 48 -5.238 -0.329 7.219 371 3HG2 THR 48 3HG2 THR 48 -6.855 -0.298 6.476 372 H VAL 49 H VAL 49 -2.526 -0.448 3.320 373 HA VAL 49 HA VAL 49 -4.337 -1.113 1.180 374 HB VAL 49 HB VAL 49 -2.347 -2.214 0.234 375 1HG1 VAL 49 1HG1 VAL 49 -1.476 0.506 1.195 376 2HG1 VAL 49 2HG1 VAL 49 -1.286 -0.241 -0.409 377 3HG1 VAL 49 3HG1 VAL 49 -2.885 0.331 0.123 378 1HG2 VAL 49 1HG2 VAL 49 -1.356 -2.896 2.438 379 2HG2 VAL 49 2HG2 VAL 49 -0.200 -2.141 1.314 380 3HG2 VAL 49 3HG2 VAL 49 -0.857 -1.204 2.677 381 H TYR 50 H TYR 50 -5.554 -2.933 1.043 382 HA TYR 50 HA TYR 50 -5.230 -4.890 3.174 383 1HB TYR 50 1HB TYR 50 -7.265 -4.195 0.980 384 2HB TYR 50 2HB TYR 50 -7.440 -5.663 1.921 385 HD1 TYR 50 HD1 TYR 50 -6.532 -2.135 2.849 386 HD2 TYR 50 HD2 TYR 50 -9.186 -5.441 3.428 387 HE1 TYR 50 HE1 TYR 50 -7.765 -0.838 4.655 388 HE2 TYR 50 HE2 TYR 50 -10.410 -4.133 5.232 389 HH TYR 50 HH TYR 50 -10.217 -2.374 6.621 390 H LEU 51 H LEU 51 -3.035 -5.295 1.796 391 HA LEU 51 HA LEU 51 -2.896 -6.492 -0.575 392 1HB LEU 51 1HB LEU 51 -1.523 -7.198 2.010 393 2HB LEU 51 2HB LEU 51 -1.112 -7.979 0.496 394 HG LEU 51 HG LEU 51 -0.831 -5.047 1.187 395 1HD1 LEU 51 1HD1 LEU 51 1.139 -5.776 1.948 396 2HD1 LEU 51 2HD1 LEU 51 0.968 -7.359 1.152 397 3HD1 LEU 51 3HD1 LEU 51 1.583 -5.963 0.234 398 1HD2 LEU 51 1HD2 LEU 51 -0.945 -6.391 -1.459 399 2HD2 LEU 51 2HD2 LEU 51 -1.356 -4.724 -0.990 400 3HD2 LEU 51 3HD2 LEU 51 0.346 -5.190 -1.219 401 H ASP 52 H ASP 52 -3.800 -8.183 -1.625 402 HA ASP 52 HA ASP 52 -5.048 -10.194 0.080 403 1HB ASP 52 1HB ASP 52 -6.410 -8.538 -1.565 404 2HB ASP 52 2HB ASP 52 -5.956 -9.738 -2.759 405 H CYS 53 H CYS 53 -2.536 -9.473 -2.062 406 HA CYS 53 HA CYS 53 -1.617 -10.651 -3.814 407 1HB CYS 53 1HB CYS 53 -0.148 -10.847 -1.928 408 2HB CYS 53 2HB CYS 53 -1.095 -12.147 -1.231 409 HG CYS 53 HG CYS 53 -0.036 -12.394 -4.323 410 H TYR 54 H TYR 54 -1.973 -13.686 -2.084 411 HA TYR 54 HA TYR 54 -4.174 -14.507 -3.830 412 1HB TYR 54 1HB TYR 54 -1.290 -15.411 -3.649 413 2HB TYR 54 2HB TYR 54 -2.471 -16.700 -3.772 414 HD1 TYR 54 HD1 TYR 54 -1.635 -13.438 -5.437 415 HD2 TYR 54 HD2 TYR 54 -3.055 -17.448 -5.892 416 HE1 TYR 54 HE1 TYR 54 -1.716 -13.131 -7.960 417 HE2 TYR 54 HE2 TYR 54 -3.131 -17.127 -8.413 418 HH TYR 54 HH TYR 54 -3.411 -14.796 -9.922 419 H ASN 55 H ASN 55 -5.323 -14.241 -1.708 420 HA ASN 55 HA ASN 55 -6.344 -15.175 -0.034 421 1HB ASN 55 1HB ASN 55 -4.982 -17.545 -1.239 422 2HB ASN 55 2HB ASN 55 -5.387 -17.743 0.455 423 1HD2 ASN 55 1HD2 ASN 55 -7.160 -18.879 0.611 424 2HD2 ASN 55 2HD2 ASN 55 -8.630 -18.660 -0.278 425 H ARG 56 H ARG 56 -3.945 -13.629 0.362 426 HA ARG 56 HA ARG 56 -2.291 -13.219 1.715 427 1HB ARG 56 1HB ARG 56 -2.855 -13.276 4.058 428 2HB ARG 56 2HB ARG 56 -4.381 -13.118 3.210 429 1HG ARG 56 1HG ARG 56 -3.503 -15.932 3.646 430 2HG ARG 56 2HG ARG 56 -3.835 -15.043 5.119 431 1HD ARG 56 1HD ARG 56 -5.927 -14.456 3.193 432 2HD ARG 56 2HD ARG 56 -5.729 -16.195 3.291 433 HE ARG 56 HE ARG 56 -5.707 -15.294 5.955 434 1HH1 ARG 56 1HH1 ARG 56 -7.949 -15.203 3.243 435 2HH1 ARG 56 2HH1 ARG 56 -9.361 -15.192 4.246 436 1HH2 ARG 56 1HH2 ARG 56 -7.570 -15.279 7.278 437 2HH2 ARG 56 2HH2 ARG 56 -9.144 -15.236 6.556 438 H GLU 57 H GLU 57 -2.215 -15.908 0.318 439 HA GLU 57 HA GLU 57 -1.002 -17.641 2.237 440 1HB GLU 57 1HB GLU 57 -1.271 -17.880 -0.793 441 2HB GLU 57 2HB GLU 57 -0.692 -19.153 0.263 442 1HG GLU 57 1HG GLU 57 -3.002 -18.657 1.553 443 2HG GLU 57 2HG GLU 57 -3.481 -18.036 -0.014 444 H GLN 58 H GLN 58 -0.032 -15.111 0.023 445 HA GLN 58 HA GLN 58 2.742 -15.883 0.500 446 1HB GLN 58 1HB GLN 58 1.621 -15.851 -1.968 447 2HB GLN 58 2HB GLN 58 2.075 -14.162 -1.865 448 1HG GLN 58 1HG GLN 58 4.110 -14.899 -2.613 449 2HG GLN 58 2HG GLN 58 4.379 -15.321 -0.934 450 1HE2 GLN 58 1HE2 GLN 58 5.686 -16.601 -2.969 451 2HE2 GLN 58 2HE2 GLN 58 5.169 -18.250 -3.095 452 H ILE 59 H ILE 59 0.263 -13.726 1.225 453 HA ILE 59 HA ILE 59 1.197 -11.215 1.011 454 HB ILE 59 HB ILE 59 -0.790 -12.521 2.414 455 1HG1 ILE 59 1HG1 ILE 59 -1.402 -10.043 3.019 456 2HG1 ILE 59 2HG1 ILE 59 -0.016 -9.641 2.024 457 1HG2 ILE 59 1HG2 ILE 59 0.576 -12.735 4.400 458 2HG2 ILE 59 2HG2 ILE 59 0.950 -10.995 4.371 459 3HG2 ILE 59 3HG2 ILE 59 -0.715 -11.543 4.682 460 1HD1 ILE 59 1HD1 ILE 59 -1.229 -9.980 0.146 461 2HD1 ILE 59 2HD1 ILE 59 -1.572 -11.654 0.645 462 3HD1 ILE 59 3HD1 ILE 59 -2.650 -10.334 1.157 463 H ASP 60 H ASP 60 2.113 -13.590 3.593 464 HA ASP 60 HA ASP 60 3.652 -12.137 5.152 465 1HB ASP 60 1HB ASP 60 4.143 -14.892 3.970 466 2HB ASP 60 2HB ASP 60 5.270 -14.220 5.132 467 H ARG 61 H ARG 61 4.411 -13.248 1.817 468 HA ARG 61 HA ARG 61 7.083 -12.298 1.959 469 1HB ARG 61 1HB ARG 61 5.403 -13.160 -0.451 470 2HB ARG 61 2HB ARG 61 7.136 -12.902 -0.478 471 1HG ARG 61 1HG ARG 61 5.932 -14.840 1.522 472 2HG ARG 61 2HG ARG 61 6.184 -15.346 -0.137 473 1HD ARG 61 1HD ARG 61 8.573 -13.983 0.820 474 2HD ARG 61 2HD ARG 61 8.123 -15.230 1.966 475 HE ARG 61 HE ARG 61 7.973 -16.211 -0.764 476 1HH1 ARG 61 1HH1 ARG 61 10.220 -15.510 1.852 477 2HH1 ARG 61 2HH1 ARG 61 11.408 -16.646 1.307 478 1HH2 ARG 61 1HH2 ARG 61 9.541 -17.710 -1.483 479 2HH2 ARG 61 2HH2 ARG 61 11.020 -17.906 -0.603 480 H VAL 62 H VAL 62 3.945 -11.265 0.494 481 HA VAL 62 HA VAL 62 4.950 -9.064 -0.905 482 HB VAL 62 HB VAL 62 2.202 -9.409 0.302 483 1HG1 VAL 62 1HG1 VAL 62 3.333 -7.336 -1.234 484 2HG1 VAL 62 2HG1 VAL 62 2.303 -8.262 -2.352 485 3HG1 VAL 62 3HG1 VAL 62 1.614 -7.593 -0.853 486 1HG2 VAL 62 1HG2 VAL 62 2.449 -10.229 -2.477 487 2HG2 VAL 62 2HG2 VAL 62 3.496 -11.200 -1.416 488 3HG2 VAL 62 3HG2 VAL 62 1.749 -11.098 -1.091 489 H VAL 63 H VAL 63 3.163 -9.151 2.265 490 HA VAL 63 HA VAL 63 3.547 -6.508 2.904 491 HB VAL 63 HB VAL 63 3.228 -9.006 4.557 492 1HG1 VAL 63 1HG1 VAL 63 4.447 -7.395 5.939 493 2HG1 VAL 63 2HG1 VAL 63 3.243 -6.140 5.562 494 3HG1 VAL 63 3HG1 VAL 63 2.769 -7.572 6.507 495 1HG2 VAL 63 1HG2 VAL 63 1.394 -6.785 3.636 496 2HG2 VAL 63 2HG2 VAL 63 1.254 -8.537 3.355 497 3HG2 VAL 63 3HG2 VAL 63 0.966 -7.871 4.980 498 H GLY 64 H GLY 64 5.697 -9.352 3.432 499 1HA GLY 64 1HA GLY 64 7.622 -8.079 5.013 500 2HA GLY 64 2HA GLY 64 7.865 -9.490 4.002 501 H ALA 65 H ALA 65 7.176 -8.287 1.436 502 HA ALA 65 HA ALA 65 9.688 -7.041 0.901 503 1HB ALA 65 1HB ALA 65 9.231 -7.653 -1.237 504 2HB ALA 65 2HB ALA 65 7.914 -8.602 -0.506 505 3HB ALA 65 3HB ALA 65 7.581 -6.987 -1.177 506 H PHE 66 H PHE 66 6.262 -6.030 1.246 507 HA PHE 66 HA PHE 66 6.469 -3.493 0.192 508 1HB PHE 66 1HB PHE 66 4.794 -5.072 2.092 509 2HB PHE 66 2HB PHE 66 4.752 -3.356 2.444 510 HD1 PHE 66 HD1 PHE 66 4.104 -5.863 -0.197 511 HD2 PHE 66 HD2 PHE 66 3.501 -1.867 1.099 512 HE1 PHE 66 HE1 PHE 66 2.400 -5.532 -2.010 513 HE2 PHE 66 HE2 PHE 66 1.796 -1.536 -0.714 514 HZ PHE 66 HZ PHE 66 1.266 -3.373 -2.247 515 H ASN 67 H ASN 67 7.717 -4.817 3.222 516 HA ASN 67 HA ASN 67 7.852 -2.466 4.662 517 1HB ASN 67 1HB ASN 67 8.268 -4.835 5.519 518 2HB ASN 67 2HB ASN 67 9.831 -4.804 4.727 519 1HD2 ASN 67 1HD2 ASN 67 9.107 -5.043 7.553 520 2HD2 ASN 67 2HD2 ASN 67 9.922 -3.772 8.402 521 H GLN 68 H GLN 68 10.319 -4.198 2.609 522 HA GLN 68 HA GLN 68 12.150 -2.046 2.835 523 1HB GLN 68 1HB GLN 68 12.118 -4.528 1.066 524 2HB GLN 68 2HB GLN 68 13.455 -3.397 1.125 525 1HG GLN 68 1HG GLN 68 13.216 -3.831 3.783 526 2HG GLN 68 2HG GLN 68 12.509 -5.335 3.228 527 1HE2 GLN 68 1HE2 GLN 68 13.723 -6.617 1.669 528 2HE2 GLN 68 2HE2 GLN 68 15.453 -6.656 1.747 529 H ALA 69 H ALA 69 9.260 -2.270 1.237 530 HA ALA 69 HA ALA 69 10.242 -0.702 -1.049 531 1HB ALA 69 1HB ALA 69 7.975 -2.668 -0.699 532 2HB ALA 69 2HB ALA 69 7.892 -1.414 -1.959 533 3HB ALA 69 3HB ALA 69 9.219 -2.599 -1.970 534 H LYS 70 H LYS 70 9.086 -0.345 2.006 535 HA LYS 70 HA LYS 70 6.840 1.289 1.690 536 1HB LYS 70 1HB LYS 70 8.722 0.549 3.830 537 2HB LYS 70 2HB LYS 70 8.043 2.153 4.010 538 1HG LYS 70 1HG LYS 70 5.777 1.314 3.962 539 2HG LYS 70 2HG LYS 70 6.291 -0.258 3.382 540 1HD LYS 70 1HD LYS 70 7.611 -0.513 5.576 541 2HD LYS 70 2HD LYS 70 6.806 0.937 6.141 542 1HE LYS 70 1HE LYS 70 4.693 -0.096 6.234 543 2HE LYS 70 2HE LYS 70 5.099 -1.285 5.012 544 1HZ LYS 70 1HZ LYS 70 6.749 -1.475 7.316 545 2HZ LYS 70 2HZ LYS 70 5.169 -1.688 7.667 546 3HZ LYS 70 3HZ LYS 70 5.893 -2.638 6.553 547 H GLY 71 H GLY 71 10.072 1.739 0.690 548 1HA GLY 71 1HA GLY 71 10.335 4.535 1.158 549 2HA GLY 71 2HA GLY 71 11.279 3.541 0.066 550 H VAL 72 H VAL 72 9.775 2.644 -1.906 551 HA VAL 72 HA VAL 72 9.190 4.888 -3.442 552 HB VAL 72 HB VAL 72 7.997 3.060 -4.862 553 1HG1 VAL 72 1HG1 VAL 72 9.998 2.660 -5.928 554 2HG1 VAL 72 2HG1 VAL 72 10.437 4.076 -4.943 555 3HG1 VAL 72 3HG1 VAL 72 10.895 2.442 -4.406 556 1HG2 VAL 72 1HG2 VAL 72 8.365 0.809 -4.327 557 2HG2 VAL 72 2HG2 VAL 72 9.595 1.200 -3.101 558 3HG2 VAL 72 3HG2 VAL 72 7.877 1.535 -2.777 559 H PHE 73 H PHE 73 7.089 2.660 -1.534 560 HA PHE 73 HA PHE 73 4.665 3.734 -2.390 561 1HB PHE 73 1HB PHE 73 5.524 2.536 0.312 562 2HB PHE 73 2HB PHE 73 3.869 2.617 -0.258 563 HD1 PHE 73 HD1 PHE 73 5.138 1.943 -3.211 564 HD2 PHE 73 HD2 PHE 73 5.020 0.081 0.600 565 HE1 PHE 73 HE1 PHE 73 5.403 -0.303 -4.300 566 HE2 PHE 73 HE2 PHE 73 5.285 -2.165 -0.489 567 HZ PHE 73 HZ PHE 73 5.473 -2.330 -2.926 568 H SER 74 H SER 74 6.734 4.493 0.492 569 HA SER 74 HA SER 74 4.994 6.369 1.544 570 1HB SER 74 1HB SER 74 6.965 7.133 2.856 571 2HB SER 74 2HB SER 74 6.818 5.387 2.852 572 HG SER 74 HG SER 74 8.833 5.373 2.142 573 H ARG 75 H ARG 75 7.447 6.517 -1.030 574 HA ARG 75 HA ARG 75 7.790 9.255 -1.061 575 1HB ARG 75 1HB ARG 75 8.799 7.092 -2.477 576 2HB ARG 75 2HB ARG 75 7.839 7.883 -3.711 577 1HG ARG 75 1HG ARG 75 9.141 9.829 -3.687 578 2HG ARG 75 2HG ARG 75 9.615 9.626 -2.012 579 1HD ARG 75 1HD ARG 75 10.551 7.561 -4.010 580 2HD ARG 75 2HD ARG 75 11.331 9.130 -4.021 581 HE ARG 75 HE ARG 75 11.087 7.901 -1.353 582 1HH1 ARG 75 1HH1 ARG 75 13.099 8.331 -4.208 583 2HH1 ARG 75 2HH1 ARG 75 14.572 7.941 -3.385 584 1HH2 ARG 75 1HH2 ARG 75 13.031 7.385 -0.267 585 2HH2 ARG 75 2HH2 ARG 75 14.533 7.399 -1.129 586 H VAL 76 H VAL 76 5.310 7.094 -2.480 587 HA VAL 76 HA VAL 76 4.174 8.734 -4.346 588 HB VAL 76 HB VAL 76 2.813 6.845 -2.414 589 1HG1 VAL 76 1HG1 VAL 76 1.907 8.201 -4.943 590 2HG1 VAL 76 2HG1 VAL 76 1.279 6.590 -4.521 591 3HG1 VAL 76 3HG1 VAL 76 1.037 7.959 -3.409 592 1HG2 VAL 76 1HG2 VAL 76 4.796 6.316 -4.340 593 2HG2 VAL 76 2HG2 VAL 76 3.753 5.140 -3.505 594 3HG2 VAL 76 3HG2 VAL 76 3.260 5.807 -5.080 595 H LEU 77 H LEU 77 3.338 8.520 -0.814 596 HA LEU 77 HA LEU 77 1.562 10.714 -0.964 597 1HB LEU 77 1HB LEU 77 2.888 9.787 1.559 598 2HB LEU 77 2HB LEU 77 1.273 10.427 1.323 599 HG LEU 77 HG LEU 77 1.581 7.981 -0.186 600 1HD1 LEU 77 1HD1 LEU 77 2.674 7.984 2.584 601 2HD1 LEU 77 2HD1 LEU 77 1.623 6.627 2.113 602 3HD1 LEU 77 3HD1 LEU 77 3.096 6.978 1.177 603 1HD2 LEU 77 1HD2 LEU 77 -0.172 7.842 2.125 604 2HD2 LEU 77 2HD2 LEU 77 -0.391 9.360 1.221 605 3HD2 LEU 77 3HD2 LEU 77 -0.559 7.795 0.388 606 H ALA 78 H ALA 78 5.029 10.393 -0.827 607 HA ALA 78 HA ALA 78 5.589 12.826 0.490 608 1HB ALA 78 1HB ALA 78 7.828 12.372 -0.104 609 2HB ALA 78 2HB ALA 78 7.089 10.760 0.037 610 3HB ALA 78 3HB ALA 78 7.354 11.479 -1.569 611 H HIS 79 H HIS 79 5.145 11.855 -2.958 612 HA HIS 79 HA HIS 79 5.843 14.356 -4.003 613 1HB HIS 79 1HB HIS 79 5.275 11.853 -5.003 614 2HB HIS 79 2HB HIS 79 3.887 12.779 -5.536 615 HD1 HIS 79 HD1 HIS 79 5.601 11.845 -7.763 616 HD2 HIS 79 HD2 HIS 79 6.434 15.407 -5.710 617 HE1 HIS 79 HE1 HIS 79 7.041 13.253 -9.330 618 HE2 HIS 79 HE2 HIS 79 7.475 15.451 -8.036 619 H ASN 80 H ASN 80 3.129 13.301 -2.163 620 HA ASN 80 HA ASN 80 1.348 15.210 -3.349 621 1HB ASN 80 1HB ASN 80 1.137 13.241 -1.026 622 2HB ASN 80 2HB ASN 80 -0.126 14.417 -1.328 623 1HD2 ASN 80 1HD2 ASN 80 -1.733 13.758 -2.517 624 2HD2 ASN 80 2HD2 ASN 80 -1.708 12.536 -3.744 625 H LEU 81 H LEU 81 2.174 14.485 0.126 626 HA LEU 81 HA LEU 81 2.164 17.362 0.633 627 1HB LEU 81 1HB LEU 81 1.622 14.918 2.257 628 2HB LEU 81 2HB LEU 81 2.231 16.344 3.073 629 HG LEU 81 HG LEU 81 -0.198 16.227 3.189 630 1HD1 LEU 81 1HD1 LEU 81 -0.701 18.469 2.594 631 2HD1 LEU 81 2HD1 LEU 81 1.020 18.430 3.045 632 3HD1 LEU 81 3HD1 LEU 81 0.551 18.491 1.329 633 1HD2 LEU 81 1HD2 LEU 81 0.002 16.023 0.197 634 2HD2 LEU 81 2HD2 LEU 81 -0.941 15.040 1.343 635 3HD2 LEU 81 3HD2 LEU 81 -1.452 16.702 0.967 636 H TYR 82 H TYR 82 3.816 15.237 2.866 637 HA TYR 82 HA TYR 82 6.362 15.207 1.782 638 1HB TYR 82 1HB TYR 82 5.509 17.808 2.394 639 2HB TYR 82 2HB TYR 82 6.264 17.343 3.905 640 HD1 TYR 82 HD1 TYR 82 8.579 17.574 4.175 641 HD2 TYR 82 HD2 TYR 82 6.938 17.478 0.224 642 HE1 TYR 82 HE1 TYR 82 10.858 18.151 3.206 643 HE2 TYR 82 HE2 TYR 82 9.222 18.056 -0.731 644 HH TYR 82 HH TYR 82 12.060 17.969 1.208 645 H LEU 83 H LEU 83 7.987 15.581 4.031 646 HA LEU 83 HA LEU 83 8.638 14.578 5.885 647 1HB LEU 83 1HB LEU 83 6.037 15.543 6.424 648 2HB LEU 83 2HB LEU 83 6.139 13.955 7.158 649 HG LEU 83 HG LEU 83 8.011 16.285 7.659 650 1HD1 LEU 83 1HD1 LEU 83 6.677 15.271 9.995 651 2HD1 LEU 83 2HD1 LEU 83 6.645 16.906 9.291 652 3HD1 LEU 83 3HD1 LEU 83 5.477 15.678 8.746 653 1HD2 LEU 83 1HD2 LEU 83 8.039 13.492 8.833 654 2HD2 LEU 83 2HD2 LEU 83 9.264 14.215 7.764 655 3HD2 LEU 83 3HD2 LEU 83 9.021 14.862 9.404 656 H ALA 84 H ALA 84 8.570 12.432 7.138 657 HA ALA 84 HA ALA 84 7.744 10.347 5.241 658 1HB ALA 84 1HB ALA 84 9.782 9.938 7.421 659 2HB ALA 84 2HB ALA 84 9.654 9.157 5.826 660 3HB ALA 84 3HB ALA 84 10.244 10.832 5.953 661 H LYS 85 H LYS 85 7.954 11.288 8.726 662 HA LYS 85 HA LYS 85 6.567 9.015 9.646 663 1HB LYS 85 1HB LYS 85 7.349 11.676 10.799 664 2HB LYS 85 2HB LYS 85 6.216 10.662 11.670 665 1HG LYS 85 1HG LYS 85 7.854 9.219 12.315 666 2HG LYS 85 2HG LYS 85 8.474 9.075 10.683 667 1HD LYS 85 1HD LYS 85 9.028 11.564 12.339 668 2HD LYS 85 2HD LYS 85 10.017 10.129 12.522 669 1HE LYS 85 1HE LYS 85 11.139 10.547 10.586 670 2HE LYS 85 2HE LYS 85 9.649 10.749 9.686 671 1HZ LYS 85 1HZ LYS 85 10.528 12.824 9.608 672 2HZ LYS 85 2HZ LYS 85 9.598 12.991 10.940 673 3HZ LYS 85 3HZ LYS 85 11.207 12.755 11.091 674 H ALA 86 H ALA 86 5.578 12.286 8.546 675 HA ALA 86 HA ALA 86 2.914 12.104 9.382 676 1HB ALA 86 1HB ALA 86 4.172 13.626 7.062 677 2HB ALA 86 2HB ALA 86 2.574 13.952 7.775 678 3HB ALA 86 3HB ALA 86 4.048 14.199 8.742 679 H VAL 87 H VAL 87 3.969 12.050 5.917 680 HA VAL 87 HA VAL 87 1.732 10.305 5.349 681 HB VAL 87 HB VAL 87 2.166 10.812 3.070 682 1HG1 VAL 87 1HG1 VAL 87 2.482 13.435 3.274 683 2HG1 VAL 87 2HG1 VAL 87 1.013 12.631 3.877 684 3HG1 VAL 87 3HG1 VAL 87 2.305 13.090 5.011 685 1HG2 VAL 87 1HG2 VAL 87 4.892 11.431 4.056 686 2HG2 VAL 87 2HG2 VAL 87 4.358 10.744 2.504 687 3HG2 VAL 87 3HG2 VAL 87 4.270 12.501 2.777 688 H GLN 88 H GLN 88 1.862 8.142 4.857 689 HA GLN 88 HA GLN 88 4.121 6.916 3.879 690 1HB GLN 88 1HB GLN 88 4.420 7.471 6.631 691 2HB GLN 88 2HB GLN 88 3.985 5.775 6.575 692 1HG GLN 88 1HG GLN 88 5.826 5.973 4.491 693 2HG GLN 88 2HG GLN 88 6.466 7.116 5.655 694 1HE2 GLN 88 1HE2 GLN 88 4.912 3.906 5.636 695 2HE2 GLN 88 2HE2 GLN 88 5.997 3.131 6.742 696 H ILE 89 H ILE 89 3.525 4.895 3.089 697 HA ILE 89 HA ILE 89 0.785 4.166 3.467 698 HB ILE 89 HB ILE 89 2.994 2.813 1.914 699 1HG1 ILE 89 1HG1 ILE 89 1.033 4.986 1.154 700 2HG1 ILE 89 2HG1 ILE 89 2.783 5.030 1.071 701 1HG2 ILE 89 1HG2 ILE 89 0.367 1.947 2.546 702 2HG2 ILE 89 2HG2 ILE 89 0.377 2.414 0.828 703 3HG2 ILE 89 3HG2 ILE 89 1.542 1.211 1.429 704 1HD1 ILE 89 1HD1 ILE 89 1.895 2.738 -0.436 705 2HD1 ILE 89 2HD1 ILE 89 0.940 4.152 -0.945 706 3HD1 ILE 89 3HD1 ILE 89 2.717 4.201 -1.031 707 H HIS 90 H HIS 90 -0.036 2.251 4.423 708 HA HIS 90 HA HIS 90 1.919 0.812 6.057 709 1HB HIS 90 1HB HIS 90 0.494 2.569 7.289 710 2HB HIS 90 2HB HIS 90 -0.859 1.487 7.026 711 HD1 HIS 90 HD1 HIS 90 0.805 2.305 9.789 712 HD2 HIS 90 HD2 HIS 90 0.695 -1.370 7.768 713 HE1 HIS 90 HE1 HIS 90 1.429 0.525 11.507 714 HE2 HIS 90 HE2 HIS 90 1.291 -1.716 10.221 715 H PHE 91 H PHE 91 1.772 -1.400 5.947 716 HA PHE 91 HA PHE 91 -0.130 -2.448 4.065 717 1HB PHE 91 1HB PHE 91 1.315 -4.382 4.200 718 2HB PHE 91 2HB PHE 91 2.404 -3.030 4.433 719 HD1 PHE 91 HD1 PHE 91 0.311 -5.400 6.414 720 HD2 PHE 91 HD2 PHE 91 3.846 -3.060 6.242 721 HE1 PHE 91 HE1 PHE 91 1.072 -6.389 8.592 722 HE2 PHE 91 HE2 PHE 91 4.608 -4.049 8.419 723 HZ PHE 91 HZ PHE 91 3.211 -5.701 9.569 724 H VAL 92 H VAL 92 -1.852 -3.847 4.486 725 HA VAL 92 HA VAL 92 -2.312 -4.490 7.309 726 HB VAL 92 HB VAL 92 -4.245 -3.269 5.335 727 1HG1 VAL 92 1HG1 VAL 92 -4.947 -4.185 8.132 728 2HG1 VAL 92 2HG1 VAL 92 -6.037 -3.664 6.825 729 3HG1 VAL 92 3HG1 VAL 92 -5.180 -5.218 6.701 730 1HG2 VAL 92 1HG2 VAL 92 -3.654 -1.355 6.316 731 2HG2 VAL 92 2HG2 VAL 92 -4.330 -1.976 7.841 732 3HG2 VAL 92 3HG2 VAL 92 -2.606 -2.216 7.469 733 H LYS 93 H LYS 93 -3.613 -6.426 7.642 734 HA LYS 93 HA LYS 93 -3.227 -8.285 5.444 735 1HB LYS 93 1HB LYS 93 -3.732 -9.997 7.170 736 2HB LYS 93 2HB LYS 93 -2.358 -8.986 7.568 737 1HG LYS 93 1HG LYS 93 -3.678 -7.659 9.127 738 2HG LYS 93 2HG LYS 93 -5.173 -8.394 8.583 739 1HD LYS 93 1HD LYS 93 -4.646 -9.512 10.631 740 2HD LYS 93 2HD LYS 93 -4.217 -10.652 9.371 741 1HE LYS 93 1HE LYS 93 -1.838 -10.010 9.533 742 2HE LYS 93 2HE LYS 93 -2.222 -8.747 10.686 743 1HZ LYS 93 1HZ LYS 93 -1.453 -10.791 11.725 744 2HZ LYS 93 2HZ LYS 93 -2.960 -10.400 12.219 745 3HZ LYS 93 3HZ LYS 93 -2.742 -11.603 11.137 746 H ASP 94 H ASP 94 -5.202 -6.222 5.054 747 HA ASP 94 HA ASP 94 -7.232 -5.989 4.333 748 1HB ASP 94 1HB ASP 94 -6.886 -8.026 3.022 749 2HB ASP 94 2HB ASP 94 -7.228 -9.038 4.411 750 H LYS 95 H LYS 95 -7.023 -5.513 7.012 751 HA LYS 95 HA LYS 95 -7.970 -5.614 9.024 752 1HB LYS 95 1HB LYS 95 -9.614 -4.401 7.553 753 2HB LYS 95 2HB LYS 95 -10.523 -5.892 7.415 754 1HG LYS 95 1HG LYS 95 -11.612 -5.116 9.278 755 2HG LYS 95 2HG LYS 95 -10.239 -5.791 10.133 756 1HD LYS 95 1HD LYS 95 -9.734 -3.061 9.095 757 2HD LYS 95 2HD LYS 95 -11.064 -3.126 10.234 758 1HE LYS 95 1HE LYS 95 -9.699 -3.928 11.996 759 2HE LYS 95 2HE LYS 95 -8.485 -4.566 10.905 760 1HZ LYS 95 1HZ LYS 95 -8.826 -1.884 11.869 761 2HZ LYS 95 2HZ LYS 95 -7.460 -2.677 11.454 762 3HZ LYS 95 3HZ LYS 95 -8.395 -2.001 10.299 763 H ALA 96 H ALA 96 -7.094 -8.226 7.810 764 HA ALA 96 HA ALA 96 -7.014 -10.309 8.602 765 1HB ALA 96 1HB ALA 96 -7.625 -10.591 10.750 766 2HB ALA 96 2HB ALA 96 -8.307 -8.948 10.692 767 3HB ALA 96 3HB ALA 96 -9.345 -10.355 10.357 768 H ILE 97 H ILE 97 -10.384 -9.038 8.191 769 HA ILE 97 HA ILE 97 -10.874 -10.540 5.914 770 HB ILE 97 HB ILE 97 -10.732 -12.304 7.879 771 1HG1 ILE 97 1HG1 ILE 97 -12.208 -13.765 6.567 772 2HG1 ILE 97 2HG1 ILE 97 -12.859 -12.377 5.718 773 1HG2 ILE 97 1HG2 ILE 97 -13.585 -11.299 8.043 774 2HG2 ILE 97 2HG2 ILE 97 -13.015 -12.850 8.705 775 3HG2 ILE 97 3HG2 ILE 97 -12.367 -11.319 9.341 776 1HD1 ILE 97 1HD1 ILE 97 -9.946 -12.314 5.619 777 2HD1 ILE 97 2HD1 ILE 97 -10.555 -13.878 5.027 778 3HD1 ILE 97 3HD1 ILE 97 -11.112 -12.363 4.276 779 H ASP 98 H ASP 98 -12.058 -8.969 8.896 780 HA ASP 98 HA ASP 98 -13.749 -7.664 9.296 781 1HB ASP 98 1HB ASP 98 -12.450 -6.265 7.642 782 2HB ASP 98 2HB ASP 98 -13.462 -6.889 6.354 783 H ASN 99 H ASN 99 -15.011 -9.878 9.275 784 HA ASN 99 HA ASN 99 -17.483 -9.494 8.214 785 1HB ASN 99 1HB ASN 99 -16.585 -9.875 5.964 786 2HB ASN 99 2HB ASN 99 -15.721 -11.306 6.490 787 1HD2 ASN 99 1HD2 ASN 99 -16.832 -13.206 6.970 788 2HD2 ASN 99 2HD2 ASN 99 -18.437 -13.522 6.400 789 H ALA 100 H ALA 100 -15.398 -12.476 7.992 790 HA ALA 100 HA ALA 100 -15.821 -13.452 10.529 791 1HB ALA 100 1HB ALA 100 -18.061 -13.857 10.464 792 2HB ALA 100 2HB ALA 100 -18.119 -13.825 8.685 793 3HB ALA 100 3HB ALA 100 -17.576 -15.294 9.531 794 H MET 101 H MET 101 -16.436 -15.076 7.343 795 HA MET 101 HA MET 101 -13.824 -15.771 6.863 796 1HB MET 101 1HB MET 101 -14.882 -17.220 9.061 797 2HB MET 101 2HB MET 101 -15.031 -18.336 7.719 798 1HG MET 101 1HG MET 101 -12.429 -17.028 7.600 799 2HG MET 101 2HG MET 101 -12.669 -17.700 9.201 800 1HE MET 101 1HE MET 101 -10.469 -18.802 8.193 801 2HE MET 101 2HE MET 101 -11.197 -19.994 9.297 802 3HE MET 101 3HE MET 101 -10.576 -20.512 7.711 Start of MODEL 11 1 H LYS 6 H LYS 6 -15.938 3.625 -8.991 2 HA LYS 6 HA LYS 6 -16.908 6.077 -7.870 3 1HB LYS 6 1HB LYS 6 -18.582 4.030 -7.394 4 2HB LYS 6 2HB LYS 6 -17.442 3.741 -6.095 5 1HG LYS 6 1HG LYS 6 -18.704 5.281 -4.961 6 2HG LYS 6 2HG LYS 6 -17.746 6.452 -5.845 7 1HD LYS 6 1HD LYS 6 -20.121 7.008 -6.091 8 2HD LYS 6 2HD LYS 6 -19.483 6.514 -7.647 9 1HE LYS 6 1HE LYS 6 -20.632 4.464 -7.632 10 2HE LYS 6 2HE LYS 6 -20.699 4.387 -5.882 11 1HZ LYS 6 1HZ LYS 6 -22.133 6.492 -7.308 12 2HZ LYS 6 2HZ LYS 6 -22.788 5.004 -7.163 13 3HZ LYS 6 3HZ LYS 6 -22.432 5.873 -5.827 14 H GLU 7 H GLU 7 -14.450 5.977 -8.553 15 HA GLU 7 HA GLU 7 -13.043 5.880 -6.133 16 1HB GLU 7 1HB GLU 7 -12.780 3.549 -8.005 17 2HB GLU 7 2HB GLU 7 -11.300 4.164 -7.298 18 1HG GLU 7 1HG GLU 7 -12.857 4.111 -5.059 19 2HG GLU 7 2HG GLU 7 -13.631 2.827 -5.965 20 H ARG 8 H ARG 8 -13.242 8.091 -7.399 21 HA ARG 8 HA ARG 8 -11.821 8.493 -9.701 22 1HB ARG 8 1HB ARG 8 -12.515 10.306 -7.354 23 2HB ARG 8 2HB ARG 8 -11.617 10.928 -8.724 24 1HG ARG 8 1HG ARG 8 -14.302 9.495 -8.980 25 2HG ARG 8 2HG ARG 8 -14.143 11.237 -8.870 26 1HD ARG 8 1HD ARG 8 -12.629 11.171 -10.913 27 2HD ARG 8 2HD ARG 8 -12.956 9.455 -11.052 28 HE ARG 8 HE ARG 8 -15.119 9.937 -11.845 29 1HH1 ARG 8 1HH1 ARG 8 -13.671 12.847 -10.497 30 2HH1 ARG 8 2HH1 ARG 8 -14.916 13.895 -11.091 31 1HH2 ARG 8 1HH2 ARG 8 -16.761 11.319 -12.629 32 2HH2 ARG 8 2HH2 ARG 8 -16.685 13.020 -12.312 33 H LEU 9 H LEU 9 -10.624 10.292 -6.863 34 HA LEU 9 HA LEU 9 -7.964 10.064 -7.600 35 1HB LEU 9 1HB LEU 9 -7.539 11.383 -5.818 36 2HB LEU 9 2HB LEU 9 -9.258 11.674 -5.993 37 HG LEU 9 HG LEU 9 -8.325 9.511 -4.133 38 1HD1 LEU 9 1HD1 LEU 9 -8.146 12.480 -3.634 39 2HD1 LEU 9 2HD1 LEU 9 -8.352 11.308 -2.311 40 3HD1 LEU 9 3HD1 LEU 9 -6.918 11.220 -3.362 41 1HD2 LEU 9 1HD2 LEU 9 -10.359 9.981 -2.960 42 2HD2 LEU 9 2HD2 LEU 9 -10.650 11.441 -3.936 43 3HD2 LEU 9 3HD2 LEU 9 -10.738 9.832 -4.693 44 H GLU 10 H GLU 10 -9.941 8.151 -5.261 45 HA GLU 10 HA GLU 10 -8.127 6.701 -4.018 46 1HB GLU 10 1HB GLU 10 -10.836 6.484 -4.430 47 2HB GLU 10 2HB GLU 10 -10.277 5.024 -5.223 48 1HG GLU 10 1HG GLU 10 -9.357 4.128 -3.243 49 2HG GLU 10 2HG GLU 10 -9.171 5.700 -2.491 50 H ASN 11 H ASN 11 -9.535 5.543 -7.174 51 HA ASN 11 HA ASN 11 -7.800 3.507 -7.560 52 1HB ASN 11 1HB ASN 11 -9.800 3.957 -8.985 53 2HB ASN 11 2HB ASN 11 -9.023 5.375 -9.660 54 1HD2 ASN 11 1HD2 ASN 11 -9.594 2.105 -9.996 55 2HD2 ASN 11 2HD2 ASN 11 -8.423 1.701 -11.206 56 H ASP 12 H ASP 12 -7.567 6.960 -8.688 57 HA ASP 12 HA ASP 12 -5.388 6.930 -10.179 58 1HB ASP 12 1HB ASP 12 -6.838 8.867 -8.808 59 2HB ASP 12 2HB ASP 12 -5.253 9.033 -8.080 60 H ILE 13 H ILE 13 -5.512 6.955 -6.551 61 HA ILE 13 HA ILE 13 -2.720 7.027 -6.193 62 HB ILE 13 HB ILE 13 -4.976 6.160 -4.384 63 1HG1 ILE 13 1HG1 ILE 13 -3.713 8.611 -3.620 64 2HG1 ILE 13 2HG1 ILE 13 -4.122 8.721 -5.321 65 1HG2 ILE 13 1HG2 ILE 13 -2.793 5.159 -3.737 66 2HG2 ILE 13 2HG2 ILE 13 -2.117 6.802 -3.615 67 3HG2 ILE 13 3HG2 ILE 13 -3.443 6.303 -2.537 68 1HD1 ILE 13 1HD1 ILE 13 -5.924 8.444 -2.945 69 2HD1 ILE 13 2HD1 ILE 13 -6.165 9.354 -4.455 70 3HD1 ILE 13 3HD1 ILE 13 -6.422 7.593 -4.427 71 H ILE 14 H ILE 14 -5.142 4.326 -6.086 72 HA ILE 14 HA ILE 14 -3.483 2.269 -5.494 73 HB ILE 14 HB ILE 14 -5.974 2.575 -7.077 74 1HG1 ILE 14 1HG1 ILE 14 -6.783 0.945 -5.384 75 2HG1 ILE 14 2HG1 ILE 14 -5.179 0.896 -4.680 76 1HG2 ILE 14 1HG2 ILE 14 -6.051 0.176 -7.604 77 2HG2 ILE 14 2HG2 ILE 14 -4.739 1.011 -8.471 78 3HG2 ILE 14 3HG2 ILE 14 -4.368 0.005 -7.050 79 1HD1 ILE 14 1HD1 ILE 14 -6.500 2.482 -3.403 80 2HD1 ILE 14 2HD1 ILE 14 -5.314 3.412 -4.349 81 3HD1 ILE 14 3HD1 ILE 14 -7.010 3.327 -4.884 82 H ARG 15 H ARG 15 -4.114 3.644 -8.791 83 HA ARG 15 HA ARG 15 -2.381 1.915 -10.069 84 1HB ARG 15 1HB ARG 15 -4.021 3.194 -11.339 85 2HB ARG 15 2HB ARG 15 -3.370 4.718 -10.769 86 1HG ARG 15 1HG ARG 15 -1.249 4.304 -11.989 87 2HG ARG 15 2HG ARG 15 -1.826 2.730 -12.502 88 1HD ARG 15 1HD ARG 15 -3.379 3.633 -14.023 89 2HD ARG 15 2HD ARG 15 -3.532 5.140 -13.142 90 HE ARG 15 HE ARG 15 -1.704 5.996 -14.329 91 1HH1 ARG 15 1HH1 ARG 15 -1.744 2.491 -14.643 92 2HH1 ARG 15 2HH1 ARG 15 -0.470 2.454 -15.817 93 1HH2 ARG 15 1HH2 ARG 15 -0.023 5.948 -15.877 94 2HH2 ARG 15 2HH2 ARG 15 0.515 4.433 -16.523 95 H LEU 16 H LEU 16 -1.865 4.833 -8.152 96 HA LEU 16 HA LEU 16 0.573 5.670 -9.194 97 1HB LEU 16 1HB LEU 16 -1.152 6.522 -7.276 98 2HB LEU 16 2HB LEU 16 0.161 5.921 -6.282 99 HG LEU 16 HG LEU 16 1.746 7.395 -7.445 100 1HD1 LEU 16 1HD1 LEU 16 1.260 8.035 -9.521 101 2HD1 LEU 16 2HD1 LEU 16 -0.473 7.686 -9.309 102 3HD1 LEU 16 3HD1 LEU 16 0.189 9.255 -8.792 103 1HD2 LEU 16 1HD2 LEU 16 0.881 8.309 -5.463 104 2HD2 LEU 16 2HD2 LEU 16 0.721 9.603 -6.674 105 3HD2 LEU 16 3HD2 LEU 16 -0.703 8.645 -6.202 106 H ILE 17 H ILE 17 0.066 3.749 -6.146 107 HA ILE 17 HA ILE 17 2.673 3.039 -5.781 108 HB ILE 17 HB ILE 17 0.039 1.894 -5.014 109 1HG1 ILE 17 1HG1 ILE 17 0.877 3.733 -3.725 110 2HG1 ILE 17 2HG1 ILE 17 0.965 2.284 -2.744 111 1HG2 ILE 17 1HG2 ILE 17 2.651 0.405 -4.864 112 2HG2 ILE 17 2HG2 ILE 17 1.372 0.156 -3.651 113 3HG2 ILE 17 3HG2 ILE 17 1.046 -0.175 -5.369 114 1HD1 ILE 17 1HD1 ILE 17 3.104 3.050 -2.357 115 2HD1 ILE 17 2HD1 ILE 17 3.438 2.174 -3.870 116 3HD1 ILE 17 3HD1 ILE 17 3.177 3.934 -3.900 117 H ASN 18 H ASN 18 0.263 1.693 -8.043 118 HA ASN 18 HA ASN 18 1.584 -0.635 -8.654 119 1HB ASN 18 1HB ASN 18 -0.761 0.443 -9.437 120 2HB ASN 18 2HB ASN 18 0.180 0.935 -10.831 121 1HD2 ASN 18 1HD2 ASN 18 0.483 -0.443 -12.422 122 2HD2 ASN 18 2HD2 ASN 18 0.176 -2.148 -12.392 123 H ARG 19 H ARG 19 1.662 2.647 -10.237 124 HA ARG 19 HA ARG 19 3.331 2.144 -12.265 125 1HB ARG 19 1HB ARG 19 2.280 4.419 -11.046 126 2HB ARG 19 2HB ARG 19 4.002 4.660 -10.824 127 1HG ARG 19 1HG ARG 19 3.578 3.713 -13.522 128 2HG ARG 19 2HG ARG 19 2.446 5.018 -13.225 129 1HD ARG 19 1HD ARG 19 4.717 6.094 -12.109 130 2HD ARG 19 2HD ARG 19 5.435 5.091 -13.354 131 HE ARG 19 HE ARG 19 3.196 6.621 -14.397 132 1HH1 ARG 19 1HH1 ARG 19 6.598 6.849 -13.528 133 2HH1 ARG 19 2HH1 ARG 19 6.918 8.163 -14.611 134 1HH2 ARG 19 1HH2 ARG 19 3.618 8.354 -15.827 135 2HH2 ARG 19 2HH2 ARG 19 5.212 9.024 -15.927 136 H THR 20 H THR 20 4.144 2.622 -8.799 137 HA THR 20 HA THR 20 6.977 2.630 -9.280 138 HB THR 20 HB THR 20 5.254 3.519 -7.275 139 HG1 THR 20 HG1 THR 20 7.308 4.159 -6.466 140 1HG2 THR 20 1HG2 THR 20 5.655 2.281 -5.286 141 2HG2 THR 20 2HG2 THR 20 5.334 0.995 -6.474 142 3HG2 THR 20 3HG2 THR 20 7.009 1.383 -6.012 143 H VAL 21 H VAL 21 4.471 0.237 -8.413 144 HA VAL 21 HA VAL 21 6.358 -1.775 -7.737 145 HB VAL 21 HB VAL 21 3.434 -1.899 -8.501 146 1HG1 VAL 21 1HG1 VAL 21 3.587 -4.087 -7.137 147 2HG1 VAL 21 2HG1 VAL 21 4.208 -4.093 -8.805 148 3HG1 VAL 21 3HG1 VAL 21 5.339 -3.986 -7.435 149 1HG2 VAL 21 1HG2 VAL 21 3.000 -1.079 -6.476 150 2HG2 VAL 21 2HG2 VAL 21 3.915 -2.412 -5.731 151 3HG2 VAL 21 3HG2 VAL 21 4.744 -0.899 -6.169 152 H ILE 22 H ILE 22 5.740 -0.217 -10.632 153 HA ILE 22 HA ILE 22 5.400 -2.132 -12.528 154 HB ILE 22 HB ILE 22 6.886 0.456 -12.424 155 1HG1 ILE 22 1HG1 ILE 22 4.488 -0.530 -13.999 156 2HG1 ILE 22 2HG1 ILE 22 4.434 0.444 -12.543 157 1HG2 ILE 22 1HG2 ILE 22 8.282 -0.900 -13.877 158 2HG2 ILE 22 2HG2 ILE 22 6.857 -1.406 -14.816 159 3HG2 ILE 22 3HG2 ILE 22 7.374 0.297 -14.831 160 1HD1 ILE 22 1HD1 ILE 22 5.624 1.243 -15.235 161 2HD1 ILE 22 2HD1 ILE 22 4.197 1.943 -14.433 162 3HD1 ILE 22 3HD1 ILE 22 5.820 2.206 -13.750 163 H HIS 23 H HIS 23 8.594 -1.025 -11.187 164 HA HIS 23 HA HIS 23 9.544 -3.706 -11.221 165 1HB HIS 23 1HB HIS 23 9.703 -2.839 -13.654 166 2HB HIS 23 2HB HIS 23 11.006 -1.823 -13.069 167 HD1 HIS 23 HD1 HIS 23 10.187 -5.336 -14.003 168 HD2 HIS 23 HD2 HIS 23 13.348 -3.257 -12.192 169 HE1 HIS 23 HE1 HIS 23 12.185 -6.924 -14.011 170 HE2 HIS 23 HE2 HIS 23 14.111 -5.572 -12.935 171 H GLU 24 H GLU 24 9.081 -1.581 -9.286 172 HA GLU 24 HA GLU 24 11.857 -1.190 -8.489 173 1HB GLU 24 1HB GLU 24 10.604 0.928 -9.317 174 2HB GLU 24 2HB GLU 24 9.653 0.803 -7.851 175 1HG GLU 24 1HG GLU 24 11.454 2.277 -7.297 176 2HG GLU 24 2HG GLU 24 11.871 0.749 -6.548 177 H ILE 25 H ILE 25 10.274 -3.450 -7.807 178 HA ILE 25 HA ILE 25 10.110 -3.030 -4.935 179 HB ILE 25 HB ILE 25 7.845 -4.115 -6.610 180 1HG1 ILE 25 1HG1 ILE 25 8.045 -1.629 -6.438 181 2HG1 ILE 25 2HG1 ILE 25 6.557 -2.287 -5.788 182 1HG2 ILE 25 1HG2 ILE 25 8.653 -4.857 -3.970 183 2HG2 ILE 25 2HG2 ILE 25 7.136 -3.932 -3.866 184 3HG2 ILE 25 3HG2 ILE 25 7.227 -5.379 -4.899 185 1HD1 ILE 25 1HD1 ILE 25 7.029 -1.113 -3.900 186 2HD1 ILE 25 2HD1 ILE 25 8.278 -2.341 -3.580 187 3HD1 ILE 25 3HD1 ILE 25 8.710 -0.828 -4.412 188 H TYR 26 H TYR 26 12.289 -4.123 -5.690 189 HA TYR 26 HA TYR 26 13.549 -5.942 -5.511 190 1HB TYR 26 1HB TYR 26 11.508 -6.405 -3.804 191 2HB TYR 26 2HB TYR 26 11.013 -7.578 -5.008 192 HD1 TYR 26 HD1 TYR 26 14.486 -6.720 -3.916 193 HD2 TYR 26 HD2 TYR 26 11.363 -9.644 -3.946 194 HE1 TYR 26 HE1 TYR 26 16.070 -8.432 -2.906 195 HE2 TYR 26 HE2 TYR 26 12.958 -11.347 -2.936 196 HH TYR 26 HH TYR 26 16.130 -11.106 -3.007 197 H ASN 27 H ASN 27 10.369 -7.183 -6.779 198 HA ASN 27 HA ASN 27 11.385 -7.443 -9.368 199 1HB ASN 27 1HB ASN 27 11.510 -9.840 -7.538 200 2HB ASN 27 2HB ASN 27 10.956 -10.126 -9.176 201 1HD2 ASN 27 1HD2 ASN 27 13.425 -10.882 -7.719 202 2HD2 ASN 27 2HD2 ASN 27 14.755 -10.344 -8.688 203 H GLU 28 H GLU 28 9.162 -6.164 -8.814 204 HA GLU 28 HA GLU 28 6.962 -6.096 -8.690 205 1HB GLU 28 1HB GLU 28 5.856 -7.243 -10.650 206 2HB GLU 28 2HB GLU 28 7.273 -6.303 -11.076 207 1HG GLU 28 1HG GLU 28 8.665 -8.361 -11.092 208 2HG GLU 28 2HG GLU 28 7.289 -9.319 -10.585 209 H THR 29 H THR 29 7.560 -7.509 -6.518 210 HA THR 29 HA THR 29 6.262 -10.105 -6.616 211 HB THR 29 HB THR 29 8.154 -8.609 -4.880 212 HG1 THR 29 HG1 THR 29 9.008 -10.680 -5.050 213 1HG2 THR 29 1HG2 THR 29 6.208 -8.831 -3.288 214 2HG2 THR 29 2HG2 THR 29 6.139 -10.570 -3.662 215 3HG2 THR 29 3HG2 THR 29 7.566 -9.891 -2.843 216 H VAL 30 H VAL 30 5.850 -7.013 -4.758 217 HA VAL 30 HA VAL 30 3.406 -7.785 -3.649 218 HB VAL 30 HB VAL 30 3.236 -5.545 -2.930 219 1HG1 VAL 30 1HG1 VAL 30 5.766 -6.943 -2.814 220 2HG1 VAL 30 2HG1 VAL 30 6.024 -5.183 -2.745 221 3HG1 VAL 30 3HG1 VAL 30 4.950 -5.972 -1.565 222 1HG2 VAL 30 1HG2 VAL 30 5.151 -3.961 -4.066 223 2HG2 VAL 30 2HG2 VAL 30 4.645 -4.949 -5.457 224 3HG2 VAL 30 3HG2 VAL 30 3.440 -3.996 -4.558 225 H LYS 31 H LYS 31 4.267 -7.086 -6.887 226 HA LYS 31 HA LYS 31 2.159 -5.655 -7.871 227 1HB LYS 31 1HB LYS 31 4.221 -6.443 -9.084 228 2HB LYS 31 2HB LYS 31 3.474 -8.021 -9.233 229 1HG LYS 31 1HG LYS 31 1.472 -6.865 -10.341 230 2HG LYS 31 2HG LYS 31 2.412 -5.387 -10.352 231 1HD LYS 31 1HD LYS 31 4.105 -6.365 -11.793 232 2HD LYS 31 2HD LYS 31 3.447 -7.976 -11.585 233 1HE LYS 31 1HE LYS 31 1.577 -5.887 -12.672 234 2HE LYS 31 2HE LYS 31 2.866 -6.417 -13.735 235 1HZ LYS 31 1HZ LYS 31 2.036 -8.508 -13.808 236 2HZ LYS 31 2HZ LYS 31 1.346 -8.449 -12.330 237 3HZ LYS 31 3HZ LYS 31 0.634 -7.699 -13.593 238 H THR 32 H THR 32 2.174 -8.843 -6.427 239 HA THR 32 HA THR 32 -0.428 -9.487 -7.576 240 HB THR 32 HB THR 32 1.231 -11.282 -7.509 241 HG1 THR 32 HG1 THR 32 -1.094 -11.574 -6.723 242 1HG2 THR 32 1HG2 THR 32 2.788 -11.326 -5.836 243 2HG2 THR 32 2HG2 THR 32 1.891 -10.095 -4.915 244 3HG2 THR 32 3HG2 THR 32 1.488 -11.818 -4.724 245 H GLY 33 H GLY 33 1.028 -8.128 -4.680 246 1HA GLY 33 1HA GLY 33 -0.516 -8.628 -2.608 247 2HA GLY 33 2HA GLY 33 -0.094 -6.984 -3.045 248 H HIS 34 H HIS 34 -1.629 -5.616 -4.114 249 HA HIS 34 HA HIS 34 -3.602 -4.975 -4.896 250 1HB HIS 34 1HB HIS 34 -3.702 -7.383 -5.856 251 2HB HIS 34 2HB HIS 34 -4.787 -7.722 -4.522 252 HD1 HIS 34 HD1 HIS 34 -4.730 -4.510 -6.595 253 HD2 HIS 34 HD2 HIS 34 -7.186 -7.833 -5.873 254 HE1 HIS 34 HE1 HIS 34 -6.936 -4.041 -7.788 255 HE2 HIS 34 HE2 HIS 34 -8.384 -6.141 -7.354 256 H VAL 35 H VAL 35 -4.312 -3.562 -3.368 257 HA VAL 35 HA VAL 35 -4.762 -4.293 -0.702 258 HB VAL 35 HB VAL 35 -5.996 -1.908 -2.052 259 1HG1 VAL 35 1HG1 VAL 35 -5.590 -0.806 0.037 260 2HG1 VAL 35 2HG1 VAL 35 -6.346 -2.376 0.398 261 3HG1 VAL 35 3HG1 VAL 35 -4.594 -2.158 0.626 262 1HG2 VAL 35 1HG2 VAL 35 -3.103 -2.580 -1.815 263 2HG2 VAL 35 2HG2 VAL 35 -3.956 -1.571 -3.008 264 3HG2 VAL 35 3HG2 VAL 35 -3.586 -0.919 -1.393 265 H THR 36 H THR 36 -7.031 -3.642 -3.458 266 HA THR 36 HA THR 36 -9.128 -4.289 -3.815 267 HB THR 36 HB THR 36 -9.540 -6.535 -3.368 268 HG1 THR 36 HG1 THR 36 -8.454 -5.804 -0.740 269 1HG2 THR 36 1HG2 THR 36 -6.897 -6.749 -1.939 270 2HG2 THR 36 2HG2 THR 36 -7.546 -7.744 -3.265 271 3HG2 THR 36 3HG2 THR 36 -6.862 -6.137 -3.610 272 H HIS 37 H HIS 37 -8.154 -2.586 -1.281 273 HA HIS 37 HA HIS 37 -10.856 -1.990 -0.540 274 1HB HIS 37 1HB HIS 37 -9.857 -3.929 0.966 275 2HB HIS 37 2HB HIS 37 -9.054 -2.598 1.776 276 HD1 HIS 37 HD1 HIS 37 -11.434 -0.508 1.559 277 HD2 HIS 37 HD2 HIS 37 -11.768 -4.471 2.893 278 HE1 HIS 37 HE1 HIS 37 -13.520 -0.596 3.026 279 HE2 HIS 37 HE2 HIS 37 -13.704 -3.067 3.771 280 H VAL 38 H VAL 38 -7.768 -1.455 1.257 281 HA VAL 38 HA VAL 38 -6.575 0.368 1.626 282 HB VAL 38 HB VAL 38 -7.103 0.411 -1.086 283 1HG1 VAL 38 1HG1 VAL 38 -7.410 3.270 -0.163 284 2HG1 VAL 38 2HG1 VAL 38 -7.675 2.577 -1.781 285 3HG1 VAL 38 3HG1 VAL 38 -8.826 2.234 -0.466 286 1HG2 VAL 38 1HG2 VAL 38 -4.974 1.124 -1.151 287 2HG2 VAL 38 2HG2 VAL 38 -5.335 2.579 -0.192 288 3HG2 VAL 38 3HG2 VAL 38 -5.027 1.028 0.626 289 H LYS 39 H LYS 39 -6.814 2.102 3.019 290 HA LYS 39 HA LYS 39 -9.480 3.319 3.094 291 1HB LYS 39 1HB LYS 39 -8.651 1.465 4.937 292 2HB LYS 39 2HB LYS 39 -8.151 2.959 5.705 293 1HG LYS 39 1HG LYS 39 -10.953 2.244 4.735 294 2HG LYS 39 2HG LYS 39 -10.439 2.473 6.394 295 1HD LYS 39 1HD LYS 39 -10.411 4.653 4.253 296 2HD LYS 39 2HD LYS 39 -11.665 4.463 5.462 297 1HE LYS 39 1HE LYS 39 -8.714 4.888 6.132 298 2HE LYS 39 2HE LYS 39 -9.891 6.184 6.056 299 1HZ LYS 39 1HZ LYS 39 -9.972 5.608 8.234 300 2HZ LYS 39 2HZ LYS 39 -11.171 4.651 7.673 301 3HZ LYS 39 3HZ LYS 39 -9.696 4.019 7.979 302 H LEU 40 H LEU 40 -9.253 5.429 2.606 303 HA LEU 40 HA LEU 40 -6.680 6.675 3.027 304 1HB LEU 40 1HB LEU 40 -9.107 7.180 1.429 305 2HB LEU 40 2HB LEU 40 -8.306 8.615 2.035 306 HG LEU 40 HG LEU 40 -7.653 7.822 -0.286 307 1HD1 LEU 40 1HD1 LEU 40 -5.910 9.154 0.028 308 2HD1 LEU 40 2HD1 LEU 40 -6.129 8.995 1.787 309 3HD1 LEU 40 3HD1 LEU 40 -5.050 7.876 0.921 310 1HD2 LEU 40 1HD2 LEU 40 -7.087 5.693 -0.554 311 2HD2 LEU 40 2HD2 LEU 40 -5.594 6.030 0.355 312 3HD2 LEU 40 3HD2 LEU 40 -7.036 5.425 1.205 313 H SER 41 H SER 41 -6.237 7.252 5.101 314 HA SER 41 HA SER 41 -8.405 8.146 6.752 315 1HB SER 41 1HB SER 41 -5.738 7.039 7.144 316 2HB SER 41 2HB SER 41 -5.924 8.495 8.102 317 HG SER 41 HG SER 41 -6.813 7.043 9.458 318 H ASP 42 H ASP 42 -9.009 10.276 6.841 319 HA ASP 42 HA ASP 42 -8.757 12.449 7.116 320 1HB ASP 42 1HB ASP 42 -6.157 11.721 7.589 321 2HB ASP 42 2HB ASP 42 -5.940 12.636 6.110 322 H ASP 43 H ASP 43 -6.300 11.607 4.548 323 HA ASP 43 HA ASP 43 -8.090 12.128 2.456 324 1HB ASP 43 1HB ASP 43 -6.573 14.384 3.542 325 2HB ASP 43 2HB ASP 43 -6.098 14.080 1.883 326 H LEU 44 H LEU 44 -4.630 12.322 3.560 327 HA LEU 44 HA LEU 44 -3.895 10.135 1.903 328 1HB LEU 44 1HB LEU 44 -2.133 11.565 0.677 329 2HB LEU 44 2HB LEU 44 -3.770 11.470 0.059 330 HG LEU 44 HG LEU 44 -3.767 13.690 1.790 331 1HD1 LEU 44 1HD1 LEU 44 -1.928 15.054 0.613 332 2HD1 LEU 44 2HD1 LEU 44 -1.451 13.941 1.918 333 3HD1 LEU 44 3HD1 LEU 44 -1.206 13.476 0.217 334 1HD2 LEU 44 1HD2 LEU 44 -4.209 14.957 -0.229 335 2HD2 LEU 44 2HD2 LEU 44 -3.573 13.633 -1.234 336 3HD2 LEU 44 3HD2 LEU 44 -5.063 13.396 -0.288 337 H LEU 45 H LEU 45 -3.934 11.080 4.740 338 HA LEU 45 HA LEU 45 -1.114 11.472 5.296 339 1HB LEU 45 1HB LEU 45 -3.622 12.064 6.587 340 2HB LEU 45 2HB LEU 45 -2.586 11.161 7.675 341 HG LEU 45 HG LEU 45 -1.909 13.770 6.291 342 1HD1 LEU 45 1HD1 LEU 45 -3.397 13.317 8.589 343 2HD1 LEU 45 2HD1 LEU 45 -1.770 13.700 9.200 344 3HD1 LEU 45 3HD1 LEU 45 -2.604 14.839 8.116 345 1HD2 LEU 45 1HD2 LEU 45 -0.045 13.080 8.352 346 2HD2 LEU 45 2HD2 LEU 45 -0.141 11.742 7.182 347 3HD2 LEU 45 3HD2 LEU 45 0.247 13.386 6.623 348 H HIS 46 H HIS 46 -3.764 9.112 6.056 349 HA HIS 46 HA HIS 46 -1.633 7.139 6.452 350 1HB HIS 46 1HB HIS 46 -4.099 7.723 8.038 351 2HB HIS 46 2HB HIS 46 -3.597 6.051 7.890 352 HD1 HIS 46 HD1 HIS 46 -2.240 5.357 9.855 353 HD2 HIS 46 HD2 HIS 46 -1.529 9.354 8.799 354 HE1 HIS 46 HE1 HIS 46 -0.500 6.233 11.503 355 HE2 HIS 46 HE2 HIS 46 -0.064 8.676 10.771 356 H VAL 47 H VAL 47 -1.618 5.565 4.933 357 HA VAL 47 HA VAL 47 -4.135 5.118 3.485 358 HB VAL 47 HB VAL 47 -1.248 5.115 2.682 359 1HG1 VAL 47 1HG1 VAL 47 -2.341 4.115 0.445 360 2HG1 VAL 47 2HG1 VAL 47 -1.621 3.087 1.707 361 3HG1 VAL 47 3HG1 VAL 47 -3.386 3.315 1.643 362 1HG2 VAL 47 1HG2 VAL 47 -1.870 6.972 1.621 363 2HG2 VAL 47 2HG2 VAL 47 -3.057 6.044 0.673 364 3HG2 VAL 47 3HG2 VAL 47 -3.531 6.768 2.228 365 H THR 48 H THR 48 -5.054 3.539 4.827 366 HA THR 48 HA THR 48 -3.444 1.305 5.682 367 HB THR 48 HB THR 48 -6.452 1.857 5.869 368 HG1 THR 48 HG1 THR 48 -4.128 2.307 7.608 369 1HG2 THR 48 1HG2 THR 48 -5.238 -0.517 6.452 370 2HG2 THR 48 2HG2 THR 48 -4.873 0.370 7.951 371 3HG2 THR 48 3HG2 THR 48 -6.563 0.141 7.441 372 H VAL 49 H VAL 49 -2.682 0.129 3.962 373 HA VAL 49 HA VAL 49 -4.654 -0.727 1.990 374 HB VAL 49 HB VAL 49 -2.711 -1.486 0.728 375 1HG1 VAL 49 1HG1 VAL 49 -3.027 0.627 -0.008 376 2HG1 VAL 49 2HG1 VAL 49 -3.063 1.308 1.637 377 3HG1 VAL 49 3HG1 VAL 49 -1.504 0.955 0.853 378 1HG2 VAL 49 1HG2 VAL 49 -0.491 -0.372 1.963 379 2HG2 VAL 49 2HG2 VAL 49 -1.369 -1.143 3.307 380 3HG2 VAL 49 3HG2 VAL 49 -0.894 -2.104 1.886 381 H TYR 50 H TYR 50 -5.637 -2.673 2.159 382 HA TYR 50 HA TYR 50 -4.543 -4.544 4.120 383 1HB TYR 50 1HB TYR 50 -7.179 -4.295 2.538 384 2HB TYR 50 2HB TYR 50 -6.889 -5.538 3.739 385 HD1 TYR 50 HD1 TYR 50 -6.672 -1.792 3.485 386 HD2 TYR 50 HD2 TYR 50 -7.784 -5.183 5.845 387 HE1 TYR 50 HE1 TYR 50 -7.549 -0.248 5.304 388 HE2 TYR 50 HE2 TYR 50 -8.657 -3.627 7.656 389 HH TYR 50 HH TYR 50 -8.509 -1.488 8.412 390 H LEU 51 H LEU 51 -2.758 -4.867 2.336 391 HA LEU 51 HA LEU 51 -3.122 -5.972 -0.074 392 1HB LEU 51 1HB LEU 51 -1.142 -7.220 1.793 393 2HB LEU 51 2HB LEU 51 -0.981 -6.840 0.090 394 HG LEU 51 HG LEU 51 -0.930 -4.900 2.413 395 1HD1 LEU 51 1HD1 LEU 51 1.121 -6.112 0.619 396 2HD1 LEU 51 2HD1 LEU 51 1.345 -4.422 1.129 397 3HD1 LEU 51 3HD1 LEU 51 1.199 -5.709 2.350 398 1HD2 LEU 51 1HD2 LEU 51 -0.278 -3.326 0.354 399 2HD2 LEU 51 2HD2 LEU 51 -1.393 -4.429 -0.488 400 3HD2 LEU 51 3HD2 LEU 51 -1.950 -3.515 0.934 401 H ASP 52 H ASP 52 -3.526 -8.030 -0.987 402 HA ASP 52 HA ASP 52 -4.398 -10.046 0.903 403 1HB ASP 52 1HB ASP 52 -6.271 -8.514 -0.302 404 2HB ASP 52 2HB ASP 52 -6.008 -9.647 -1.613 405 H CYS 53 H CYS 53 -2.315 -9.165 -1.457 406 HA CYS 53 HA CYS 53 -1.543 -10.097 -3.382 407 1HB CYS 53 1HB CYS 53 -0.116 -12.002 -2.798 408 2HB CYS 53 2HB CYS 53 -0.058 -10.762 -1.561 409 HG CYS 53 HG CYS 53 -0.631 -12.160 0.252 410 H TYR 54 H TYR 54 -1.466 -13.328 -3.126 411 HA TYR 54 HA TYR 54 -3.556 -13.727 -5.001 412 1HB TYR 54 1HB TYR 54 -1.214 -15.009 -3.866 413 2HB TYR 54 2HB TYR 54 -2.546 -16.121 -3.621 414 HD1 TYR 54 HD1 TYR 54 -0.958 -14.046 -6.309 415 HD2 TYR 54 HD2 TYR 54 -3.142 -17.593 -5.333 416 HE1 TYR 54 HE1 TYR 54 -0.736 -14.851 -8.710 417 HE2 TYR 54 HE2 TYR 54 -2.913 -18.387 -7.738 418 HH TYR 54 HH TYR 54 -0.823 -17.548 -9.718 419 H ASN 55 H ASN 55 -3.005 -15.102 -1.674 420 HA ASN 55 HA ASN 55 -5.740 -14.708 -1.056 421 1HB ASN 55 1HB ASN 55 -4.717 -17.590 -1.237 422 2HB ASN 55 2HB ASN 55 -6.316 -17.099 -0.716 423 1HD2 ASN 55 1HD2 ASN 55 -7.842 -16.447 -2.173 424 2HD2 ASN 55 2HD2 ASN 55 -7.687 -16.626 -3.889 425 H ARG 56 H ARG 56 -3.104 -13.931 -0.024 426 HA ARG 56 HA ARG 56 -2.303 -13.597 1.986 427 1HB ARG 56 1HB ARG 56 -4.656 -14.638 2.776 428 2HB ARG 56 2HB ARG 56 -3.652 -15.995 3.245 429 1HG ARG 56 1HG ARG 56 -3.193 -14.870 5.163 430 2HG ARG 56 2HG ARG 56 -2.220 -13.774 4.201 431 1HD ARG 56 1HD ARG 56 -3.840 -12.109 4.193 432 2HD ARG 56 2HD ARG 56 -5.172 -13.247 4.186 433 HE ARG 56 HE ARG 56 -4.080 -12.004 6.503 434 1HH1 ARG 56 1HH1 ARG 56 -5.099 -15.198 5.435 435 2HH1 ARG 56 2HH1 ARG 56 -5.514 -15.739 7.027 436 1HH2 ARG 56 1HH2 ARG 56 -4.627 -12.716 8.604 437 2HH2 ARG 56 2HH2 ARG 56 -5.244 -14.317 8.842 438 H GLU 57 H GLU 57 -2.241 -16.489 0.167 439 HA GLU 57 HA GLU 57 -0.311 -17.828 1.790 440 1HB GLU 57 1HB GLU 57 -1.099 -18.456 -1.085 441 2HB GLU 57 2HB GLU 57 -0.349 -19.544 0.067 442 1HG GLU 57 1HG GLU 57 -2.435 -19.182 1.557 443 2HG GLU 57 2HG GLU 57 -3.173 -18.402 0.172 444 H GLN 58 H GLN 58 -0.307 -15.265 -0.502 445 HA GLN 58 HA GLN 58 2.512 -15.777 -1.054 446 1HB GLN 58 1HB GLN 58 0.452 -15.341 -2.878 447 2HB GLN 58 2HB GLN 58 1.168 -13.748 -2.736 448 1HG GLN 58 1HG GLN 58 3.277 -14.469 -3.521 449 2HG GLN 58 2HG GLN 58 2.993 -16.138 -3.068 450 1HE2 GLN 58 1HE2 GLN 58 3.961 -15.749 -5.481 451 2HE2 GLN 58 2HE2 GLN 58 2.788 -15.990 -6.733 452 H ILE 59 H ILE 59 0.382 -14.001 0.850 453 HA ILE 59 HA ILE 59 1.243 -11.402 0.711 454 HB ILE 59 HB ILE 59 -0.484 -12.834 2.240 455 1HG1 ILE 59 1HG1 ILE 59 -0.462 -10.457 3.563 456 2HG1 ILE 59 2HG1 ILE 59 0.442 -10.021 2.127 457 1HG2 ILE 59 1HG2 ILE 59 1.802 -11.999 4.042 458 2HG2 ILE 59 2HG2 ILE 59 0.162 -12.387 4.613 459 3HG2 ILE 59 3HG2 ILE 59 1.141 -13.635 3.805 460 1HD1 ILE 59 1HD1 ILE 59 -1.357 -10.373 0.702 461 2HD1 ILE 59 2HD1 ILE 59 -2.054 -11.650 1.728 462 3HD1 ILE 59 3HD1 ILE 59 -2.244 -9.940 2.184 463 H ASP 60 H ASP 60 2.620 -14.116 2.688 464 HA ASP 60 HA ASP 60 4.511 -12.896 4.043 465 1HB ASP 60 1HB ASP 60 4.036 -15.512 3.193 466 2HB ASP 60 2HB ASP 60 5.629 -15.195 2.534 467 H ARG 61 H ARG 61 4.523 -13.603 0.509 468 HA ARG 61 HA ARG 61 7.181 -12.713 0.166 469 1HB ARG 61 1HB ARG 61 4.995 -13.037 -1.949 470 2HB ARG 61 2HB ARG 61 6.723 -13.002 -2.243 471 1HG ARG 61 1HG ARG 61 5.518 -15.077 -0.377 472 2HG ARG 61 2HG ARG 61 5.508 -15.328 -2.112 473 1HD ARG 61 1HD ARG 61 8.158 -14.442 -1.259 474 2HD ARG 61 2HD ARG 61 7.659 -15.825 -0.305 475 HE ARG 61 HE ARG 61 7.094 -16.238 -3.124 476 1HH1 ARG 61 1HH1 ARG 61 9.674 -16.321 -0.733 477 2HH1 ARG 61 2HH1 ARG 61 10.631 -17.462 -1.618 478 1HH2 ARG 61 1HH2 ARG 61 8.356 -17.743 -4.292 479 2HH2 ARG 61 2HH2 ARG 61 9.876 -18.276 -3.656 480 H VAL 62 H VAL 62 3.871 -11.391 -0.503 481 HA VAL 62 HA VAL 62 4.768 -8.985 -1.639 482 HB VAL 62 HB VAL 62 2.177 -9.524 -0.181 483 1HG1 VAL 62 1HG1 VAL 62 1.693 -7.427 -0.774 484 2HG1 VAL 62 2HG1 VAL 62 3.215 -7.278 -1.687 485 3HG1 VAL 62 3HG1 VAL 62 1.765 -7.946 -2.475 486 1HG2 VAL 62 1HG2 VAL 62 2.184 -11.296 -1.666 487 2HG2 VAL 62 2HG2 VAL 62 1.433 -10.020 -2.654 488 3HG2 VAL 62 3HG2 VAL 62 3.153 -10.421 -2.876 489 H VAL 63 H VAL 63 3.279 -9.549 1.635 490 HA VAL 63 HA VAL 63 3.783 -7.123 2.715 491 HB VAL 63 HB VAL 63 4.138 -9.734 4.188 492 1HG1 VAL 63 1HG1 VAL 63 4.483 -8.164 5.807 493 2HG1 VAL 63 2HG1 VAL 63 3.556 -6.909 4.948 494 3HG1 VAL 63 3HG1 VAL 63 2.703 -8.189 5.844 495 1HG2 VAL 63 1HG2 VAL 63 1.685 -8.503 2.974 496 2HG2 VAL 63 2HG2 VAL 63 2.163 -10.213 3.098 497 3HG2 VAL 63 3HG2 VAL 63 1.548 -9.354 4.531 498 H GLY 64 H GLY 64 6.069 -9.870 2.303 499 1HA GLY 64 1HA GLY 64 8.192 -8.787 3.795 500 2HA GLY 64 2HA GLY 64 8.301 -9.998 2.534 501 H ALA 65 H ALA 65 7.120 -8.375 0.380 502 HA ALA 65 HA ALA 65 9.494 -6.951 -0.344 503 1HB ALA 65 1HB ALA 65 8.662 -7.850 -2.255 504 2HB ALA 65 2HB ALA 65 7.007 -7.937 -1.608 505 3HB ALA 65 3HB ALA 65 7.619 -6.408 -2.283 506 H PHE 66 H PHE 66 6.118 -6.168 0.633 507 HA PHE 66 HA PHE 66 6.157 -3.473 0.065 508 1HB PHE 66 1HB PHE 66 4.772 -5.428 1.867 509 2HB PHE 66 2HB PHE 66 4.700 -3.777 2.452 510 HD1 PHE 66 HD1 PHE 66 3.590 -6.090 -0.135 511 HD2 PHE 66 HD2 PHE 66 3.510 -2.056 1.179 512 HE1 PHE 66 HE1 PHE 66 1.678 -5.621 -1.692 513 HE2 PHE 66 HE2 PHE 66 1.598 -1.587 -0.378 514 HZ PHE 66 HZ PHE 66 0.705 -3.375 -1.795 515 H ASN 67 H ASN 67 7.736 -5.295 2.663 516 HA ASN 67 HA ASN 67 8.010 -3.322 4.526 517 1HB ASN 67 1HB ASN 67 8.712 -5.768 4.728 518 2HB ASN 67 2HB ASN 67 10.125 -5.402 3.759 519 1HD2 ASN 67 1HD2 ASN 67 10.778 -6.409 6.009 520 2HD2 ASN 67 2HD2 ASN 67 11.316 -5.265 7.193 521 H GLN 68 H GLN 68 10.490 -4.390 2.062 522 HA GLN 68 HA GLN 68 12.009 -2.046 2.453 523 1HB GLN 68 1HB GLN 68 13.423 -2.942 0.636 524 2HB GLN 68 2HB GLN 68 13.049 -4.188 1.811 525 1HG GLN 68 1HG GLN 68 11.092 -4.877 0.285 526 2HG GLN 68 2HG GLN 68 11.751 -3.790 -0.921 527 1HE2 GLN 68 1HE2 GLN 68 11.582 -6.204 -1.775 528 2HE2 GLN 68 2HE2 GLN 68 13.082 -7.071 -1.785 529 H ALA 69 H ALA 69 9.065 -2.528 0.943 530 HA ALA 69 HA ALA 69 9.530 -0.965 -1.415 531 1HB ALA 69 1HB ALA 69 7.192 -1.311 -1.817 532 2HB ALA 69 2HB ALA 69 7.817 -2.827 -1.126 533 3HB ALA 69 3HB ALA 69 6.888 -1.702 -0.108 534 H LYS 70 H LYS 70 8.736 -0.423 1.975 535 HA LYS 70 HA LYS 70 7.300 1.726 2.221 536 1HB LYS 70 1HB LYS 70 8.917 0.594 3.895 537 2HB LYS 70 2HB LYS 70 10.081 1.802 3.390 538 1HG LYS 70 1HG LYS 70 9.123 3.231 4.869 539 2HG LYS 70 2HG LYS 70 7.721 3.284 3.819 540 1HD LYS 70 1HD LYS 70 6.657 2.533 5.725 541 2HD LYS 70 2HD LYS 70 7.143 0.972 5.094 542 1HE LYS 70 1HE LYS 70 9.322 1.249 6.463 543 2HE LYS 70 2HE LYS 70 8.548 2.613 7.245 544 1HZ LYS 70 1HZ LYS 70 6.809 0.418 7.211 545 2HZ LYS 70 2HZ LYS 70 8.237 -0.036 7.859 546 3HZ LYS 70 3HZ LYS 70 7.415 1.223 8.497 547 H GLY 71 H GLY 71 10.762 2.003 1.142 548 1HA GLY 71 1HA GLY 71 11.136 4.561 0.674 549 2HA GLY 71 2HA GLY 71 11.574 3.356 -0.520 550 H VAL 72 H VAL 72 9.489 2.539 -1.870 551 HA VAL 72 HA VAL 72 8.564 4.879 -3.204 552 HB VAL 72 HB VAL 72 7.298 3.130 -4.545 553 1HG1 VAL 72 1HG1 VAL 72 9.692 4.107 -4.923 554 2HG1 VAL 72 2HG1 VAL 72 10.235 2.479 -4.450 555 3HG1 VAL 72 3HG1 VAL 72 9.163 2.687 -5.856 556 1HG2 VAL 72 1HG2 VAL 72 9.044 1.117 -3.128 557 2HG2 VAL 72 2HG2 VAL 72 7.395 1.472 -2.558 558 3HG2 VAL 72 3HG2 VAL 72 7.652 0.842 -4.203 559 H PHE 73 H PHE 73 7.204 2.461 -0.925 560 HA PHE 73 HA PHE 73 4.570 3.564 -1.149 561 1HB PHE 73 1HB PHE 73 5.924 1.683 0.878 562 2HB PHE 73 2HB PHE 73 4.191 1.901 0.733 563 HD1 PHE 73 HD1 PHE 73 5.230 2.075 -2.520 564 HD2 PHE 73 HD2 PHE 73 4.892 -0.759 0.620 565 HE1 PHE 73 HE1 PHE 73 5.137 0.218 -4.206 566 HE2 PHE 73 HE2 PHE 73 4.800 -2.616 -1.067 567 HZ PHE 73 HZ PHE 73 4.923 -2.105 -3.459 568 H SER 74 H SER 74 6.532 5.579 -0.498 569 HA SER 74 HA SER 74 5.259 6.612 1.799 570 1HB SER 74 1HB SER 74 6.893 6.469 3.413 571 2HB SER 74 2HB SER 74 7.289 5.006 2.533 572 HG SER 74 HG SER 74 9.096 6.586 3.027 573 H ARG 75 H ARG 75 7.959 6.702 -0.574 574 HA ARG 75 HA ARG 75 8.363 9.466 -0.298 575 1HB ARG 75 1HB ARG 75 9.853 7.490 -1.366 576 2HB ARG 75 2HB ARG 75 9.066 7.998 -2.847 577 1HG ARG 75 1HG ARG 75 9.939 10.239 -2.671 578 2HG ARG 75 2HG ARG 75 10.409 10.010 -0.999 579 1HD ARG 75 1HD ARG 75 11.674 8.724 -3.460 580 2HD ARG 75 2HD ARG 75 12.423 9.859 -2.354 581 HE ARG 75 HE ARG 75 11.766 7.820 -0.656 582 1HH1 ARG 75 1HH1 ARG 75 13.374 7.823 -3.786 583 2HH1 ARG 75 2HH1 ARG 75 14.316 6.409 -3.446 584 1HH2 ARG 75 1HH2 ARG 75 13.008 5.956 -0.207 585 2HH2 ARG 75 2HH2 ARG 75 14.107 5.341 -1.396 586 H VAL 76 H VAL 76 6.155 7.403 -2.127 587 HA VAL 76 HA VAL 76 5.548 9.100 -4.244 588 HB VAL 76 HB VAL 76 3.899 7.046 -2.761 589 1HG1 VAL 76 1HG1 VAL 76 3.090 8.930 -4.783 590 2HG1 VAL 76 2HG1 VAL 76 3.033 7.280 -5.448 591 3HG1 VAL 76 3HG1 VAL 76 2.131 7.674 -3.965 592 1HG2 VAL 76 1HG2 VAL 76 6.154 6.542 -4.083 593 2HG2 VAL 76 2HG2 VAL 76 4.753 5.447 -4.164 594 3HG2 VAL 76 3HG2 VAL 76 5.056 6.603 -5.483 595 H LEU 77 H LEU 77 3.513 8.561 -1.277 596 HA LEU 77 HA LEU 77 1.927 10.785 -1.671 597 1HB LEU 77 1HB LEU 77 2.582 9.833 1.084 598 2HB LEU 77 2HB LEU 77 1.048 10.348 0.412 599 HG LEU 77 HG LEU 77 1.640 8.086 -1.078 600 1HD1 LEU 77 1HD1 LEU 77 2.118 7.179 1.727 601 2HD1 LEU 77 2HD1 LEU 77 2.584 6.431 0.181 602 3HD1 LEU 77 3HD1 LEU 77 3.489 7.834 0.799 603 1HD2 LEU 77 1HD2 LEU 77 -0.470 9.003 0.255 604 2HD2 LEU 77 2HD2 LEU 77 -0.336 7.304 -0.259 605 3HD2 LEU 77 3HD2 LEU 77 0.044 7.759 1.420 606 H ALA 78 H ALA 78 5.157 10.442 -0.189 607 HA ALA 78 HA ALA 78 5.397 12.724 1.235 608 1HB ALA 78 1HB ALA 78 7.409 11.713 1.325 609 2HB ALA 78 2HB ALA 78 7.147 10.895 -0.234 610 3HB ALA 78 3HB ALA 78 7.796 12.552 -0.196 611 H HIS 79 H HIS 79 5.643 12.364 -2.358 612 HA HIS 79 HA HIS 79 6.440 14.799 -3.099 613 1HB HIS 79 1HB HIS 79 4.504 12.837 -4.233 614 2HB HIS 79 2HB HIS 79 4.533 14.433 -4.956 615 HD1 HIS 79 HD1 HIS 79 5.941 14.375 -7.008 616 HD2 HIS 79 HD2 HIS 79 7.557 12.022 -3.934 617 HE1 HIS 79 HE1 HIS 79 8.130 13.424 -7.911 618 HE2 HIS 79 HE2 HIS 79 9.104 12.032 -5.959 619 H ASN 80 H ASN 80 3.398 13.975 -1.491 620 HA ASN 80 HA ASN 80 2.340 16.593 -2.045 621 1HB ASN 80 1HB ASN 80 1.295 13.990 -1.127 622 2HB ASN 80 2HB ASN 80 0.687 15.302 -0.138 623 1HD2 ASN 80 1HD2 ASN 80 0.261 13.541 -2.914 624 2HD2 ASN 80 2HD2 ASN 80 -0.804 14.581 -3.800 625 H LEU 81 H LEU 81 2.640 14.511 0.941 626 HA LEU 81 HA LEU 81 2.820 16.840 2.600 627 1HB LEU 81 1HB LEU 81 2.037 14.168 2.892 628 2HB LEU 81 2HB LEU 81 3.470 14.331 3.887 629 HG LEU 81 HG LEU 81 2.091 16.570 4.621 630 1HD1 LEU 81 1HD1 LEU 81 0.190 14.958 3.237 631 2HD1 LEU 81 2HD1 LEU 81 -0.216 14.939 4.970 632 3HD1 LEU 81 3HD1 LEU 81 -0.062 16.489 4.108 633 1HD2 LEU 81 1HD2 LEU 81 3.116 15.124 6.205 634 2HD2 LEU 81 2HD2 LEU 81 1.389 15.219 6.627 635 3HD2 LEU 81 3HD2 LEU 81 2.023 13.781 5.791 636 H TYR 82 H TYR 82 4.757 15.421 4.470 637 HA TYR 82 HA TYR 82 7.159 16.414 3.136 638 1HB TYR 82 1HB TYR 82 5.940 16.283 5.827 639 2HB TYR 82 2HB TYR 82 7.555 15.603 5.875 640 HD1 TYR 82 HD1 TYR 82 9.116 17.248 4.067 641 HD2 TYR 82 HD2 TYR 82 5.996 18.411 6.753 642 HE1 TYR 82 HE1 TYR 82 10.094 19.592 4.200 643 HE2 TYR 82 HE2 TYR 82 6.984 20.751 6.876 644 HH TYR 82 HH TYR 82 9.145 21.910 4.697 645 H LEU 83 H LEU 83 9.101 15.062 4.674 646 HA LEU 83 HA LEU 83 9.216 12.619 3.237 647 1HB LEU 83 1HB LEU 83 11.372 12.388 4.143 648 2HB LEU 83 2HB LEU 83 11.145 14.088 3.783 649 HG LEU 83 HG LEU 83 11.410 12.717 6.427 650 1HD1 LEU 83 1HD1 LEU 83 13.007 14.395 4.870 651 2HD1 LEU 83 2HD1 LEU 83 12.419 15.426 6.196 652 3HD1 LEU 83 3HD1 LEU 83 13.279 13.911 6.561 653 1HD2 LEU 83 1HD2 LEU 83 10.118 15.441 6.211 654 2HD2 LEU 83 2HD2 LEU 83 9.193 13.935 6.422 655 3HD2 LEU 83 3HD2 LEU 83 10.363 14.442 7.664 656 H ALA 84 H ALA 84 10.583 11.358 5.763 657 HA ALA 84 HA ALA 84 8.844 9.446 6.360 658 1HB ALA 84 1HB ALA 84 11.251 10.024 7.255 659 2HB ALA 84 2HB ALA 84 10.364 10.723 8.631 660 3HB ALA 84 3HB ALA 84 10.168 9.000 8.229 661 H LYS 85 H LYS 85 9.091 12.460 8.390 662 HA LYS 85 HA LYS 85 7.520 12.780 10.137 663 1HB LYS 85 1HB LYS 85 7.405 14.204 7.632 664 2HB LYS 85 2HB LYS 85 5.809 14.168 8.354 665 1HG LYS 85 1HG LYS 85 6.441 15.748 9.848 666 2HG LYS 85 2HG LYS 85 7.661 14.664 10.487 667 1HD LYS 85 1HD LYS 85 8.655 15.682 7.985 668 2HD LYS 85 2HD LYS 85 8.031 17.048 8.888 669 1HE LYS 85 1HE LYS 85 9.410 15.569 10.838 670 2HE LYS 85 2HE LYS 85 10.417 15.389 9.415 671 1HZ LYS 85 1HZ LYS 85 10.980 17.517 9.499 672 2HZ LYS 85 2HZ LYS 85 9.462 18.046 9.792 673 3HZ LYS 85 3HZ LYS 85 10.397 17.524 11.025 674 H ALA 86 H ALA 86 5.347 12.389 7.277 675 HA ALA 86 HA ALA 86 4.079 10.127 8.594 676 1HB ALA 86 1HB ALA 86 2.665 12.737 7.916 677 2HB ALA 86 2HB ALA 86 1.841 11.223 8.359 678 3HB ALA 86 3HB ALA 86 2.897 12.038 9.537 679 H VAL 87 H VAL 87 1.919 11.464 6.417 680 HA VAL 87 HA VAL 87 1.245 10.378 4.519 681 HB VAL 87 HB VAL 87 2.388 12.670 4.179 682 1HG1 VAL 87 1HG1 VAL 87 4.703 11.448 4.155 683 2HG1 VAL 87 2HG1 VAL 87 4.311 11.135 2.447 684 3HG1 VAL 87 3HG1 VAL 87 4.408 12.808 3.046 685 1HG2 VAL 87 1HG2 VAL 87 2.411 11.799 1.506 686 2HG2 VAL 87 2HG2 VAL 87 1.249 10.740 2.340 687 3HG2 VAL 87 3HG2 VAL 87 1.045 12.507 2.402 688 H GLN 88 H GLN 88 1.517 8.127 4.871 689 HA GLN 88 HA GLN 88 3.505 7.004 3.188 690 1HB GLN 88 1HB GLN 88 4.892 7.246 5.178 691 2HB GLN 88 2HB GLN 88 3.651 6.542 6.196 692 1HG GLN 88 1HG GLN 88 3.854 4.379 4.965 693 2HG GLN 88 2HG GLN 88 5.077 5.079 3.922 694 1HE2 GLN 88 1HE2 GLN 88 4.326 3.770 7.019 695 2HE2 GLN 88 2HE2 GLN 88 5.921 3.745 7.695 696 H ILE 89 H ILE 89 3.136 4.642 2.857 697 HA ILE 89 HA ILE 89 0.324 4.052 3.257 698 HB ILE 89 HB ILE 89 2.508 2.908 1.535 699 1HG1 ILE 89 1HG1 ILE 89 -0.142 3.808 0.507 700 2HG1 ILE 89 2HG1 ILE 89 0.949 5.049 1.092 701 1HG2 ILE 89 1HG2 ILE 89 1.420 0.936 2.123 702 2HG2 ILE 89 2HG2 ILE 89 -0.176 1.721 2.207 703 3HG2 ILE 89 3HG2 ILE 89 0.593 1.435 0.627 704 1HD1 ILE 89 1HD1 ILE 89 1.690 2.913 -0.962 705 2HD1 ILE 89 2HD1 ILE 89 1.265 4.600 -1.342 706 3HD1 ILE 89 3HD1 ILE 89 2.739 4.241 -0.409 707 H HIS 90 H HIS 90 -0.406 2.806 4.890 708 HA HIS 90 HA HIS 90 1.602 1.218 6.299 709 1HB HIS 90 1HB HIS 90 0.490 2.951 7.623 710 2HB HIS 90 2HB HIS 90 -1.081 2.286 7.220 711 HD1 HIS 90 HD1 HIS 90 1.942 1.668 9.380 712 HD2 HIS 90 HD2 HIS 90 -1.808 -0.057 8.633 713 HE1 HIS 90 HE1 HIS 90 1.561 -0.046 11.232 714 HE2 HIS 90 HE2 HIS 90 -0.781 -1.033 10.751 715 H PHE 91 H PHE 91 1.336 -1.003 6.593 716 HA PHE 91 HA PHE 91 -0.575 -2.210 4.799 717 1HB PHE 91 1HB PHE 91 0.839 -4.136 5.119 718 2HB PHE 91 2HB PHE 91 1.958 -2.794 5.247 719 HD1 PHE 91 HD1 PHE 91 -0.141 -5.048 7.335 720 HD2 PHE 91 HD2 PHE 91 3.301 -2.575 7.137 721 HE1 PHE 91 HE1 PHE 91 0.570 -5.855 9.603 722 HE2 PHE 91 HE2 PHE 91 4.012 -3.381 9.405 723 HZ PHE 91 HZ PHE 91 2.638 -5.012 10.611 724 H VAL 92 H VAL 92 -2.112 -3.855 5.434 725 HA VAL 92 HA VAL 92 -2.625 -4.072 8.289 726 HB VAL 92 HB VAL 92 -4.456 -2.836 6.254 727 1HG1 VAL 92 1HG1 VAL 92 -5.869 -4.544 7.065 728 2HG1 VAL 92 2HG1 VAL 92 -5.247 -4.390 8.726 729 3HG1 VAL 92 3HG1 VAL 92 -6.276 -3.110 8.039 730 1HG2 VAL 92 1HG2 VAL 92 -3.592 -1.086 7.420 731 2HG2 VAL 92 2HG2 VAL 92 -4.889 -1.513 8.562 732 3HG2 VAL 92 3HG2 VAL 92 -3.225 -2.075 8.854 733 H LYS 93 H LYS 93 -3.079 -6.158 8.812 734 HA LYS 93 HA LYS 93 -3.979 -7.879 6.608 735 1HB LYS 93 1HB LYS 93 -2.184 -8.821 8.845 736 2HB LYS 93 2HB LYS 93 -2.548 -9.616 7.327 737 1HG LYS 93 1HG LYS 93 -1.442 -6.942 6.855 738 2HG LYS 93 2HG LYS 93 -0.366 -7.889 7.864 739 1HD LYS 93 1HD LYS 93 0.213 -8.291 5.526 740 2HD LYS 93 2HD LYS 93 -0.471 -9.762 6.189 741 1HE LYS 93 1HE LYS 93 -2.409 -7.850 4.921 742 2HE LYS 93 2HE LYS 93 -1.303 -8.669 3.836 743 1HZ LYS 93 1HZ LYS 93 -3.339 -9.818 5.559 744 2HZ LYS 93 2HZ LYS 93 -2.997 -10.151 3.997 745 3HZ LYS 93 3HZ LYS 93 -2.034 -10.725 5.185 746 H ASP 94 H ASP 94 -3.962 -7.176 10.140 747 HA ASP 94 HA ASP 94 -6.672 -7.830 10.314 748 1HB ASP 94 1HB ASP 94 -4.976 -10.066 10.498 749 2HB ASP 94 2HB ASP 94 -5.280 -9.655 12.174 750 H LYS 95 H LYS 95 -4.787 -5.668 10.957 751 HA LYS 95 HA LYS 95 -4.693 -4.143 12.590 752 1HB LYS 95 1HB LYS 95 -6.733 -5.603 13.554 753 2HB LYS 95 2HB LYS 95 -5.547 -5.961 14.792 754 1HG LYS 95 1HG LYS 95 -5.566 -3.820 15.623 755 2HG LYS 95 2HG LYS 95 -5.638 -3.091 14.031 756 1HD LYS 95 1HD LYS 95 -7.964 -3.114 13.960 757 2HD LYS 95 2HD LYS 95 -8.091 -4.572 14.925 758 1HE LYS 95 1HE LYS 95 -7.606 -3.352 16.982 759 2HE LYS 95 2HE LYS 95 -7.170 -1.907 16.091 760 1HZ LYS 95 1HZ LYS 95 -9.800 -3.018 16.578 761 2HZ LYS 95 2HZ LYS 95 -9.307 -1.462 16.617 762 3HZ LYS 95 3HZ LYS 95 -9.573 -2.199 15.184 763 H ALA 96 H ALA 96 -2.996 -6.886 12.061 764 HA ALA 96 HA ALA 96 -1.078 -7.757 12.784 765 1HB ALA 96 1HB ALA 96 -0.263 -5.716 11.759 766 2HB ALA 96 2HB ALA 96 -0.592 -4.787 13.242 767 3HB ALA 96 3HB ALA 96 0.690 -6.022 13.231 768 H ILE 97 H ILE 97 -3.016 -8.179 14.684 769 HA ILE 97 HA ILE 97 -3.473 -8.246 16.890 770 HB ILE 97 HB ILE 97 -1.240 -9.276 18.006 771 1HG1 ILE 97 1HG1 ILE 97 -0.234 -10.679 16.080 772 2HG1 ILE 97 2HG1 ILE 97 -0.872 -9.442 15.016 773 1HG2 ILE 97 1HG2 ILE 97 -2.313 -11.273 17.828 774 2HG2 ILE 97 2HG2 ILE 97 -3.647 -10.201 17.337 775 3HG2 ILE 97 3HG2 ILE 97 -2.688 -11.053 16.102 776 1HD1 ILE 97 1HD1 ILE 97 1.023 -8.267 15.437 777 2HD1 ILE 97 2HD1 ILE 97 0.367 -7.968 17.065 778 3HD1 ILE 97 3HD1 ILE 97 1.464 -9.342 16.786 779 H ASP 98 H ASP 98 -2.858 -5.578 16.182 780 HA ASP 98 HA ASP 98 -2.037 -3.686 16.924 781 1HB ASP 98 1HB ASP 98 -3.803 -4.647 18.698 782 2HB ASP 98 2HB ASP 98 -2.405 -4.679 19.756 783 H ASN 99 H ASN 99 0.214 -4.846 16.267 784 HA ASN 99 HA ASN 99 2.144 -3.928 17.906 785 1HB ASN 99 1HB ASN 99 1.678 -5.535 19.642 786 2HB ASN 99 2HB ASN 99 1.434 -6.834 18.491 787 1HD2 ASN 99 1HD2 ASN 99 2.956 -7.822 20.082 788 2HD2 ASN 99 2HD2 ASN 99 4.656 -7.703 19.773 789 H ALA 100 H ALA 100 2.452 -7.360 16.968 790 HA ALA 100 HA ALA 100 2.865 -7.227 14.283 791 1HB ALA 100 1HB ALA 100 5.534 -7.208 14.475 792 2HB ALA 100 2HB ALA 100 4.602 -5.710 14.243 793 3HB ALA 100 3HB ALA 100 5.176 -6.158 15.867 794 H MET 101 H MET 101 4.118 -9.173 13.474 795 HA MET 101 HA MET 101 3.510 -11.341 15.169 796 1HB MET 101 1HB MET 101 3.888 -10.906 12.422 797 2HB MET 101 2HB MET 101 5.310 -11.841 12.844 798 1HG MET 101 1HG MET 101 3.858 -13.604 12.451 799 2HG MET 101 2HG MET 101 3.488 -13.350 14.145 800 1HE MET 101 1HE MET 101 1.179 -13.723 14.697 801 2HE MET 101 2HE MET 101 1.385 -11.987 15.030 802 3HE MET 101 3HE MET 101 -0.094 -12.570 14.230 Start of MODEL 12 1 H LYS 6 H LYS 6 -16.797 4.765 -8.352 2 HA LYS 6 HA LYS 6 -16.461 7.582 -9.057 3 1HB LYS 6 1HB LYS 6 -18.369 6.437 -7.033 4 2HB LYS 6 2HB LYS 6 -17.646 8.009 -6.760 5 1HG LYS 6 1HG LYS 6 -18.407 8.310 -9.372 6 2HG LYS 6 2HG LYS 6 -19.623 7.162 -8.846 7 1HD LYS 6 1HD LYS 6 -19.023 9.625 -7.174 8 2HD LYS 6 2HD LYS 6 -20.083 9.741 -8.564 9 1HE LYS 6 1HE LYS 6 -20.956 7.430 -7.149 10 2HE LYS 6 2HE LYS 6 -20.640 8.634 -5.916 11 1HZ LYS 6 1HZ LYS 6 -22.251 9.970 -6.712 12 2HZ LYS 6 2HZ LYS 6 -22.075 9.509 -8.269 13 3HZ LYS 6 3HZ LYS 6 -22.882 8.552 -7.221 14 H GLU 7 H GLU 7 -14.207 7.400 -8.915 15 HA GLU 7 HA GLU 7 -13.216 7.536 -6.293 16 1HB GLU 7 1HB GLU 7 -12.991 4.939 -7.754 17 2HB GLU 7 2HB GLU 7 -11.520 5.507 -6.989 18 1HG GLU 7 1HG GLU 7 -13.245 5.969 -4.941 19 2HG GLU 7 2HG GLU 7 -14.120 4.671 -5.731 20 H ARG 8 H ARG 8 -12.633 9.594 -7.334 21 HA ARG 8 HA ARG 8 -10.955 9.562 -9.583 22 1HB ARG 8 1HB ARG 8 -11.566 11.735 -7.519 23 2HB ARG 8 2HB ARG 8 -10.623 12.025 -8.967 24 1HG ARG 8 1HG ARG 8 -12.791 10.828 -10.105 25 2HG ARG 8 2HG ARG 8 -13.566 11.505 -8.686 26 1HD ARG 8 1HD ARG 8 -13.055 13.737 -9.301 27 2HD ARG 8 2HD ARG 8 -11.721 13.258 -10.331 28 HE ARG 8 HE ARG 8 -13.230 13.031 -12.094 29 1HH1 ARG 8 1HH1 ARG 8 -15.000 12.773 -9.064 30 2HH1 ARG 8 2HH1 ARG 8 -16.551 12.689 -9.829 31 1HH2 ARG 8 1HH2 ARG 8 -15.276 12.920 -13.105 32 2HH2 ARG 8 2HH2 ARG 8 -16.710 12.773 -12.144 33 H LEU 9 H LEU 9 -10.177 11.114 -6.397 34 HA LEU 9 HA LEU 9 -7.435 10.863 -6.702 35 1HB LEU 9 1HB LEU 9 -7.287 11.861 -4.674 36 2HB LEU 9 2HB LEU 9 -8.923 12.302 -5.122 37 HG LEU 9 HG LEU 9 -8.499 9.823 -3.489 38 1HD1 LEU 9 1HD1 LEU 9 -8.139 10.888 -1.488 39 2HD1 LEU 9 2HD1 LEU 9 -7.174 11.906 -2.584 40 3HD1 LEU 9 3HD1 LEU 9 -8.790 12.441 -2.065 41 1HD2 LEU 9 1HD2 LEU 9 -10.702 11.715 -4.106 42 2HD2 LEU 9 2HD2 LEU 9 -10.725 9.950 -3.870 43 3HD2 LEU 9 3HD2 LEU 9 -10.663 11.036 -2.461 44 H GLU 10 H GLU 10 -9.845 8.723 -5.080 45 HA GLU 10 HA GLU 10 -8.192 7.014 -3.836 46 1HB GLU 10 1HB GLU 10 -10.878 7.086 -4.399 47 2HB GLU 10 2HB GLU 10 -10.394 5.703 -5.361 48 1HG GLU 10 1HG GLU 10 -9.989 4.403 -3.520 49 2HG GLU 10 2HG GLU 10 -9.180 5.699 -2.662 50 H ASN 11 H ASN 11 -9.477 6.433 -7.197 51 HA ASN 11 HA ASN 11 -7.883 4.311 -7.757 52 1HB ASN 11 1HB ASN 11 -9.810 5.284 -9.153 53 2HB ASN 11 2HB ASN 11 -8.686 6.483 -9.760 54 1HD2 ASN 11 1HD2 ASN 11 -9.743 5.127 -11.653 55 2HD2 ASN 11 2HD2 ASN 11 -8.730 3.884 -12.309 56 H ASP 12 H ASP 12 -7.095 7.710 -7.426 57 HA ASP 12 HA ASP 12 -4.866 7.738 -9.132 58 1HB ASP 12 1HB ASP 12 -6.329 9.634 -7.785 59 2HB ASP 12 2HB ASP 12 -4.918 9.550 -6.750 60 H ILE 13 H ILE 13 -5.419 7.344 -5.567 61 HA ILE 13 HA ILE 13 -2.666 7.105 -4.942 62 HB ILE 13 HB ILE 13 -5.154 6.344 -3.408 63 1HG1 ILE 13 1HG1 ILE 13 -4.009 8.588 -2.247 64 2HG1 ILE 13 2HG1 ILE 13 -3.821 8.894 -3.962 65 1HG2 ILE 13 1HG2 ILE 13 -3.692 6.416 -1.416 66 2HG2 ILE 13 2HG2 ILE 13 -3.263 5.108 -2.545 67 3HG2 ILE 13 3HG2 ILE 13 -2.278 6.590 -2.484 68 1HD1 ILE 13 1HD1 ILE 13 -5.988 9.567 -3.958 69 2HD1 ILE 13 2HD1 ILE 13 -6.424 7.852 -3.767 70 3HD1 ILE 13 3HD1 ILE 13 -6.261 8.894 -2.333 71 H ILE 14 H ILE 14 -5.306 4.832 -5.786 72 HA ILE 14 HA ILE 14 -3.869 2.506 -5.106 73 HB ILE 14 HB ILE 14 -6.356 3.204 -6.550 74 1HG1 ILE 14 1HG1 ILE 14 -7.238 1.409 -5.055 75 2HG1 ILE 14 2HG1 ILE 14 -5.623 1.178 -4.417 76 1HG2 ILE 14 1HG2 ILE 14 -4.733 0.762 -7.169 77 2HG2 ILE 14 2HG2 ILE 14 -6.507 0.642 -7.101 78 3HG2 ILE 14 3HG2 ILE 14 -5.734 1.773 -8.238 79 1HD1 ILE 14 1HD1 ILE 14 -5.855 2.947 -3.024 80 2HD1 ILE 14 2HD1 ILE 14 -6.286 4.013 -4.383 81 3HD1 ILE 14 3HD1 ILE 14 -7.550 3.073 -3.554 82 H ARG 15 H ARG 15 -4.412 4.243 -8.244 83 HA ARG 15 HA ARG 15 -2.826 2.476 -9.686 84 1HB ARG 15 1HB ARG 15 -4.379 3.862 -10.897 85 2HB ARG 15 2HB ARG 15 -3.771 5.332 -10.163 86 1HG ARG 15 1HG ARG 15 -1.614 5.075 -11.367 87 2HG ARG 15 2HG ARG 15 -2.153 3.554 -12.050 88 1HD ARG 15 1HD ARG 15 -4.116 5.682 -12.553 89 2HD ARG 15 2HD ARG 15 -2.533 6.134 -13.154 90 HE ARG 15 HE ARG 15 -2.739 3.573 -14.083 91 1HH1 ARG 15 1HH1 ARG 15 -4.982 6.281 -14.195 92 2HH1 ARG 15 2HH1 ARG 15 -5.727 5.769 -15.673 93 1HH2 ARG 15 1HH2 ARG 15 -3.721 2.896 -16.033 94 2HH2 ARG 15 2HH2 ARG 15 -5.004 3.830 -16.725 95 H LEU 16 H LEU 16 -2.088 5.072 -7.476 96 HA LEU 16 HA LEU 16 0.355 5.925 -8.556 97 1HB LEU 16 1HB LEU 16 -1.183 6.247 -6.091 98 2HB LEU 16 2HB LEU 16 0.549 6.267 -5.825 99 HG LEU 16 HG LEU 16 -0.968 8.066 -7.736 100 1HD1 LEU 16 1HD1 LEU 16 -0.215 9.854 -6.107 101 2HD1 LEU 16 2HD1 LEU 16 -1.494 8.756 -5.536 102 3HD1 LEU 16 3HD1 LEU 16 0.182 8.534 -4.981 103 1HD2 LEU 16 1HD2 LEU 16 1.705 8.945 -7.102 104 2HD2 LEU 16 2HD2 LEU 16 1.738 7.309 -7.804 105 3HD2 LEU 16 3HD2 LEU 16 0.952 8.641 -8.686 106 H ILE 17 H ILE 17 -0.177 3.805 -5.649 107 HA ILE 17 HA ILE 17 2.418 2.918 -5.485 108 HB ILE 17 HB ILE 17 -0.231 2.010 -4.523 109 1HG1 ILE 17 1HG1 ILE 17 1.201 3.679 -3.348 110 2HG1 ILE 17 2HG1 ILE 17 0.769 2.289 -2.373 111 1HG2 ILE 17 1HG2 ILE 17 0.374 -0.151 -5.015 112 2HG2 ILE 17 2HG2 ILE 17 2.115 0.176 -4.848 113 3HG2 ILE 17 3HG2 ILE 17 1.092 0.042 -3.398 114 1HD1 ILE 17 1HD1 ILE 17 3.128 2.715 -2.023 115 2HD1 ILE 17 2HD1 ILE 17 3.002 1.239 -3.009 116 3HD1 ILE 17 3HD1 ILE 17 3.430 2.787 -3.775 117 H ASN 18 H ASN 18 -0.186 1.984 -7.700 118 HA ASN 18 HA ASN 18 0.926 -0.450 -8.470 119 1HB ASN 18 1HB ASN 18 -1.457 0.537 -8.924 120 2HB ASN 18 2HB ASN 18 -0.724 1.379 -10.274 121 1HD2 ASN 18 1HD2 ASN 18 -2.685 -0.931 -9.889 122 2HD2 ASN 18 2HD2 ASN 18 -2.141 -2.167 -10.975 123 H ARG 19 H ARG 19 1.287 2.971 -9.524 124 HA ARG 19 HA ARG 19 2.661 2.436 -11.872 125 1HB ARG 19 1HB ARG 19 1.583 4.648 -11.122 126 2HB ARG 19 2HB ARG 19 2.982 4.905 -10.097 127 1HG ARG 19 1HG ARG 19 3.844 5.960 -11.941 128 2HG ARG 19 2HG ARG 19 4.244 4.334 -12.460 129 1HD ARG 19 1HD ARG 19 3.093 5.169 -14.338 130 2HD ARG 19 2HD ARG 19 1.821 4.306 -13.496 131 HE ARG 19 HE ARG 19 1.741 6.896 -12.435 132 1HH1 ARG 19 1HH1 ARG 19 1.447 5.473 -15.640 133 2HH1 ARG 19 2HH1 ARG 19 0.404 6.720 -16.237 134 1HH2 ARG 19 1HH2 ARG 19 0.366 8.542 -13.223 135 2HH2 ARG 19 2HH2 ARG 19 -0.215 8.478 -14.853 136 H THR 20 H THR 20 3.592 2.420 -8.476 137 HA THR 20 HA THR 20 6.388 2.811 -8.907 138 HB THR 20 HB THR 20 4.474 2.400 -6.696 139 HG1 THR 20 HG1 THR 20 5.723 4.334 -7.057 140 1HG2 THR 20 1HG2 THR 20 5.591 0.457 -5.954 141 2HG2 THR 20 2HG2 THR 20 7.117 0.918 -6.745 142 3HG2 THR 20 3HG2 THR 20 6.615 1.726 -5.241 143 H VAL 21 H VAL 21 4.736 -0.125 -7.581 144 HA VAL 21 HA VAL 21 6.764 -1.862 -8.015 145 HB VAL 21 HB VAL 21 3.860 -2.541 -8.466 146 1HG1 VAL 21 1HG1 VAL 21 5.081 -4.491 -8.780 147 2HG1 VAL 21 2HG1 VAL 21 6.308 -4.044 -7.570 148 3HG1 VAL 21 3HG1 VAL 21 4.691 -4.573 -7.045 149 1HG2 VAL 21 1HG2 VAL 21 3.632 -1.298 -6.529 150 2HG2 VAL 21 2HG2 VAL 21 3.987 -2.912 -5.866 151 3HG2 VAL 21 3HG2 VAL 21 5.273 -1.684 -5.957 152 H ILE 22 H ILE 22 4.712 -0.290 -10.399 153 HA ILE 22 HA ILE 22 4.797 -2.038 -12.492 154 HB ILE 22 HB ILE 22 4.368 0.784 -12.066 155 1HG1 ILE 22 1HG1 ILE 22 2.655 -0.926 -12.615 156 2HG1 ILE 22 2HG1 ILE 22 2.626 0.463 -13.684 157 1HG2 ILE 22 1HG2 ILE 22 6.343 1.100 -13.457 158 2HG2 ILE 22 2HG2 ILE 22 5.665 0.017 -14.696 159 3HG2 ILE 22 3HG2 ILE 22 4.868 1.567 -14.337 160 1HD1 ILE 22 1HD1 ILE 22 4.407 -1.739 -14.597 161 2HD1 ILE 22 2HD1 ILE 22 2.675 -2.147 -14.545 162 3HD1 ILE 22 3HD1 ILE 22 3.235 -0.766 -15.518 163 H HIS 23 H HIS 23 7.336 0.295 -11.411 164 HA HIS 23 HA HIS 23 9.259 -1.372 -12.811 165 1HB HIS 23 1HB HIS 23 8.370 0.944 -13.988 166 2HB HIS 23 2HB HIS 23 9.770 1.518 -13.103 167 HD1 HIS 23 HD1 HIS 23 9.487 1.198 -16.302 168 HD2 HIS 23 HD2 HIS 23 11.563 -1.347 -13.693 169 HE1 HIS 23 HE1 HIS 23 11.238 -0.004 -17.718 170 HE2 HIS 23 HE2 HIS 23 12.518 -1.513 -16.050 171 H GLU 24 H GLU 24 8.693 -1.438 -10.087 172 HA GLU 24 HA GLU 24 11.202 -0.481 -9.087 173 1HB GLU 24 1HB GLU 24 8.791 0.993 -8.583 174 2HB GLU 24 2HB GLU 24 9.238 0.210 -7.080 175 1HG GLU 24 1HG GLU 24 10.920 2.111 -8.761 176 2HG GLU 24 2HG GLU 24 10.382 2.332 -7.108 177 H ILE 25 H ILE 25 10.730 -0.990 -6.322 178 HA ILE 25 HA ILE 25 10.566 -2.619 -4.839 179 HB ILE 25 HB ILE 25 8.772 -4.153 -6.705 180 1HG1 ILE 25 1HG1 ILE 25 8.142 -1.699 -6.583 181 2HG1 ILE 25 2HG1 ILE 25 6.906 -2.848 -6.112 182 1HG2 ILE 25 1HG2 ILE 25 9.487 -5.279 -4.646 183 2HG2 ILE 25 2HG2 ILE 25 8.858 -3.920 -3.684 184 3HG2 ILE 25 3HG2 ILE 25 7.742 -4.928 -4.637 185 1HD1 ILE 25 1HD1 ILE 25 7.340 -2.461 -3.741 186 2HD1 ILE 25 2HD1 ILE 25 8.758 -1.456 -4.126 187 3HD1 ILE 25 3HD1 ILE 25 7.124 -0.885 -4.538 188 H TYR 26 H TYR 26 12.798 -3.086 -5.037 189 HA TYR 26 HA TYR 26 14.318 -4.243 -6.738 190 1HB TYR 26 1HB TYR 26 14.823 -3.984 -4.296 191 2HB TYR 26 2HB TYR 26 13.699 -5.269 -3.900 192 HD1 TYR 26 HD1 TYR 26 16.970 -4.543 -5.502 193 HD2 TYR 26 HD2 TYR 26 14.367 -7.562 -3.948 194 HE1 TYR 26 HE1 TYR 26 18.857 -6.242 -5.623 195 HE2 TYR 26 HE2 TYR 26 16.264 -9.251 -4.074 196 HH TYR 26 HH TYR 26 19.477 -8.321 -4.536 197 H ASN 27 H ASN 27 12.034 -6.331 -4.820 198 HA ASN 27 HA ASN 27 12.445 -8.365 -6.846 199 1HB ASN 27 1HB ASN 27 12.309 -8.498 -4.047 200 2HB ASN 27 2HB ASN 27 10.708 -9.027 -4.525 201 1HD2 ASN 27 1HD2 ASN 27 10.401 -10.970 -5.438 202 2HD2 ASN 27 2HD2 ASN 27 11.638 -12.144 -5.740 203 H GLU 28 H GLU 28 10.651 -9.129 -8.099 204 HA GLU 28 HA GLU 28 8.404 -7.369 -8.121 205 1HB GLU 28 1HB GLU 28 9.762 -8.922 -10.031 206 2HB GLU 28 2HB GLU 28 8.215 -9.728 -9.865 207 1HG GLU 28 1HG GLU 28 6.996 -7.692 -10.387 208 2HG GLU 28 2HG GLU 28 8.442 -6.712 -10.251 209 H THR 29 H THR 29 8.364 -8.544 -5.659 210 HA THR 29 HA THR 29 6.676 -10.907 -5.786 211 HB THR 29 HB THR 29 8.465 -9.547 -3.857 212 HG1 THR 29 HG1 THR 29 7.177 -12.178 -4.004 213 1HG2 THR 29 1HG2 THR 29 5.775 -10.705 -2.973 214 2HG2 THR 29 2HG2 THR 29 7.191 -10.614 -1.899 215 3HG2 THR 29 3HG2 THR 29 6.459 -9.121 -2.536 216 H VAL 30 H VAL 30 6.443 -7.735 -4.036 217 HA VAL 30 HA VAL 30 3.783 -7.903 -3.457 218 HB VAL 30 HB VAL 30 3.898 -5.647 -2.951 219 1HG1 VAL 30 1HG1 VAL 30 6.863 -6.116 -2.969 220 2HG1 VAL 30 2HG1 VAL 30 5.821 -5.450 -1.689 221 3HG1 VAL 30 3HG1 VAL 30 5.816 -7.199 -2.021 222 1HG2 VAL 30 1HG2 VAL 30 5.569 -4.084 -4.030 223 2HG2 VAL 30 2HG2 VAL 30 5.905 -5.376 -5.207 224 3HG2 VAL 30 3HG2 VAL 30 4.273 -4.673 -5.098 225 H LYS 31 H LYS 31 5.330 -7.492 -6.569 226 HA LYS 31 HA LYS 31 3.602 -6.069 -8.049 227 1HB LYS 31 1HB LYS 31 5.544 -6.964 -9.060 228 2HB LYS 31 2HB LYS 31 5.100 -8.615 -8.674 229 1HG LYS 31 1HG LYS 31 4.522 -8.451 -10.956 230 2HG LYS 31 2HG LYS 31 2.985 -8.190 -10.156 231 1HD LYS 31 1HD LYS 31 2.802 -6.152 -11.127 232 2HD LYS 31 2HD LYS 31 4.282 -5.629 -10.347 233 1HE LYS 31 1HE LYS 31 5.191 -5.506 -12.429 234 2HE LYS 31 2HE LYS 31 5.231 -7.258 -12.412 235 1HZ LYS 31 1HZ LYS 31 2.711 -6.780 -13.105 236 2HZ LYS 31 2HZ LYS 31 3.454 -5.506 -13.806 237 3HZ LYS 31 3HZ LYS 31 3.920 -7.026 -14.175 238 H THR 32 H THR 32 2.983 -9.145 -6.431 239 HA THR 32 HA THR 32 0.640 -9.762 -7.950 240 HB THR 32 HB THR 32 2.039 -11.484 -6.816 241 HG1 THR 32 HG1 THR 32 0.120 -12.517 -6.308 242 1HG2 THR 32 1HG2 THR 32 2.151 -11.669 -4.421 243 2HG2 THR 32 2HG2 THR 32 2.533 -9.962 -4.752 244 3HG2 THR 32 3HG2 THR 32 0.907 -10.417 -4.191 245 H GLY 33 H GLY 33 1.189 -8.473 -4.603 246 1HA GLY 33 1HA GLY 33 -1.350 -8.132 -3.756 247 2HA GLY 33 2HA GLY 33 -0.057 -6.995 -3.429 248 H HIS 34 H HIS 34 -3.001 -6.543 -3.920 249 HA HIS 34 HA HIS 34 -2.635 -4.398 -5.799 250 1HB HIS 34 1HB HIS 34 -3.235 -6.093 -7.364 251 2HB HIS 34 2HB HIS 34 -4.520 -6.698 -6.338 252 HD1 HIS 34 HD1 HIS 34 -6.818 -5.870 -6.879 253 HD2 HIS 34 HD2 HIS 34 -3.831 -3.293 -8.303 254 HE1 HIS 34 HE1 HIS 34 -8.017 -4.053 -8.211 255 HE2 HIS 34 HE2 HIS 34 -6.135 -2.469 -9.015 256 H VAL 35 H VAL 35 -3.291 -5.173 -2.845 257 HA VAL 35 HA VAL 35 -4.564 -4.409 -1.209 258 HB VAL 35 HB VAL 35 -5.117 -2.244 -3.245 259 1HG1 VAL 35 1HG1 VAL 35 -6.699 -2.631 -1.102 260 2HG1 VAL 35 2HG1 VAL 35 -5.399 -1.691 -0.332 261 3HG1 VAL 35 3HG1 VAL 35 -6.282 -1.016 -1.723 262 1HG2 VAL 35 1HG2 VAL 35 -2.829 -2.169 -2.814 263 2HG2 VAL 35 2HG2 VAL 35 -3.487 -1.018 -1.625 264 3HG2 VAL 35 3HG2 VAL 35 -3.027 -2.660 -1.114 265 H THR 36 H THR 36 -6.444 -5.201 -0.390 266 HA THR 36 HA THR 36 -8.546 -5.829 -2.344 267 HB THR 36 HB THR 36 -7.390 -7.664 -0.968 268 HG1 THR 36 HG1 THR 36 -9.525 -8.574 -0.592 269 1HG2 THR 36 1HG2 THR 36 -8.960 -7.549 1.358 270 2HG2 THR 36 2HG2 THR 36 -7.204 -7.264 1.285 271 3HG2 THR 36 3HG2 THR 36 -8.333 -5.891 1.203 272 H HIS 37 H HIS 37 -8.452 -3.156 -1.767 273 HA HIS 37 HA HIS 37 -10.245 -1.775 -1.429 274 1HB HIS 37 1HB HIS 37 -11.593 -3.855 -0.695 275 2HB HIS 37 2HB HIS 37 -11.138 -3.418 0.939 276 HD1 HIS 37 HD1 HIS 37 -14.002 -3.197 -0.890 277 HD2 HIS 37 HD2 HIS 37 -11.682 -0.208 0.921 278 HE1 HIS 37 HE1 HIS 37 -15.549 -1.196 -0.554 279 HE2 HIS 37 HE2 HIS 37 -14.083 0.589 0.612 280 H VAL 38 H VAL 38 -8.386 -0.433 -0.984 281 HA VAL 38 HA VAL 38 -7.240 -0.408 1.616 282 HB VAL 38 HB VAL 38 -5.895 0.224 -0.215 283 1HG1 VAL 38 1HG1 VAL 38 -6.959 0.987 -2.040 284 2HG1 VAL 38 2HG1 VAL 38 -8.298 1.669 -1.087 285 3HG1 VAL 38 3HG1 VAL 38 -6.795 2.598 -1.301 286 1HG2 VAL 38 1HG2 VAL 38 -5.198 1.512 1.592 287 2HG2 VAL 38 2HG2 VAL 38 -5.443 2.737 0.324 288 3HG2 VAL 38 3HG2 VAL 38 -6.674 2.507 1.589 289 H LYS 39 H LYS 39 -7.621 0.979 3.357 290 HA LYS 39 HA LYS 39 -10.164 2.412 3.173 291 1HB LYS 39 1HB LYS 39 -10.165 0.756 4.892 292 2HB LYS 39 2HB LYS 39 -8.604 1.269 5.499 293 1HG LYS 39 1HG LYS 39 -10.044 2.322 7.017 294 2HG LYS 39 2HG LYS 39 -9.783 3.608 5.855 295 1HD LYS 39 1HD LYS 39 -12.074 1.695 5.385 296 2HD LYS 39 2HD LYS 39 -12.253 2.917 6.628 297 1HE LYS 39 1HE LYS 39 -11.164 4.329 4.439 298 2HE LYS 39 2HE LYS 39 -12.302 3.220 3.702 299 1HZ LYS 39 1HZ LYS 39 -12.935 5.537 4.905 300 2HZ LYS 39 2HZ LYS 39 -13.989 4.340 4.558 301 3HZ LYS 39 3HZ LYS 39 -13.331 4.442 6.049 302 H LEU 40 H LEU 40 -9.707 4.413 2.309 303 HA LEU 40 HA LEU 40 -7.335 5.809 2.900 304 1HB LEU 40 1HB LEU 40 -9.754 6.172 1.326 305 2HB LEU 40 2HB LEU 40 -9.228 7.668 2.071 306 HG LEU 40 HG LEU 40 -8.356 7.314 -0.227 307 1HD1 LEU 40 1HD1 LEU 40 -7.158 8.540 1.810 308 2HD1 LEU 40 2HD1 LEU 40 -5.926 7.294 1.498 309 3HD1 LEU 40 3HD1 LEU 40 -6.410 8.411 0.200 310 1HD2 LEU 40 1HD2 LEU 40 -7.156 4.879 1.052 311 2HD2 LEU 40 2HD2 LEU 40 -7.962 5.061 -0.524 312 3HD2 LEU 40 3HD2 LEU 40 -6.313 5.688 -0.291 313 H SER 41 H SER 41 -6.864 7.410 4.405 314 HA SER 41 HA SER 41 -8.991 8.305 6.108 315 1HB SER 41 1HB SER 41 -6.673 6.615 7.116 316 2HB SER 41 2HB SER 41 -7.538 7.710 8.176 317 HG SER 41 HG SER 41 -9.145 6.305 8.312 318 H ASP 42 H ASP 42 -8.589 10.413 6.824 319 HA ASP 42 HA ASP 42 -7.571 12.306 7.133 320 1HB ASP 42 1HB ASP 42 -5.409 10.377 7.540 321 2HB ASP 42 2HB ASP 42 -4.778 11.846 6.823 322 H ASP 43 H ASP 43 -7.782 10.675 4.376 323 HA ASP 43 HA ASP 43 -7.806 11.505 2.315 324 1HB ASP 43 1HB ASP 43 -7.143 13.809 3.428 325 2HB ASP 43 2HB ASP 43 -5.518 13.410 2.907 326 H LEU 44 H LEU 44 -4.569 11.531 3.977 327 HA LEU 44 HA LEU 44 -3.683 9.380 2.283 328 1HB LEU 44 1HB LEU 44 -1.662 11.449 2.217 329 2HB LEU 44 2HB LEU 44 -2.301 10.449 0.928 330 HG LEU 44 HG LEU 44 -3.938 12.765 1.905 331 1HD1 LEU 44 1HD1 LEU 44 -1.415 13.365 1.425 332 2HD1 LEU 44 2HD1 LEU 44 -1.945 13.256 -0.271 333 3HD1 LEU 44 3HD1 LEU 44 -2.740 14.398 0.839 334 1HD2 LEU 44 1HD2 LEU 44 -4.079 10.864 -0.214 335 2HD2 LEU 44 2HD2 LEU 44 -5.212 12.175 0.191 336 3HD2 LEU 44 3HD2 LEU 44 -3.863 12.480 -0.928 337 H LEU 45 H LEU 45 -3.075 11.811 4.855 338 HA LEU 45 HA LEU 45 -0.857 10.969 6.041 339 1HB LEU 45 1HB LEU 45 -2.951 12.550 6.737 340 2HB LEU 45 2HB LEU 45 -3.127 11.257 7.907 341 HG LEU 45 HG LEU 45 -0.754 13.088 7.514 342 1HD1 LEU 45 1HD1 LEU 45 -3.016 13.431 9.012 343 2HD1 LEU 45 2HD1 LEU 45 -1.904 12.698 10.192 344 3HD1 LEU 45 3HD1 LEU 45 -1.439 14.190 9.340 345 1HD2 LEU 45 1HD2 LEU 45 0.535 11.847 9.042 346 2HD2 LEU 45 2HD2 LEU 45 -0.843 10.821 9.505 347 3HD2 LEU 45 3HD2 LEU 45 -0.110 10.653 7.892 348 H HIS 46 H HIS 46 -3.902 9.147 5.805 349 HA HIS 46 HA HIS 46 -2.470 6.884 6.968 350 1HB HIS 46 1HB HIS 46 -5.220 7.884 7.711 351 2HB HIS 46 2HB HIS 46 -4.750 6.214 7.959 352 HD1 HIS 46 HD1 HIS 46 -3.211 5.679 9.941 353 HD2 HIS 46 HD2 HIS 46 -3.777 9.790 9.330 354 HE1 HIS 46 HE1 HIS 46 -2.232 6.847 11.987 355 HE2 HIS 46 HE2 HIS 46 -2.560 9.372 11.530 356 H VAL 47 H VAL 47 -2.314 5.327 5.442 357 HA VAL 47 HA VAL 47 -4.617 4.983 3.661 358 HB VAL 47 HB VAL 47 -1.699 5.221 2.943 359 1HG1 VAL 47 1HG1 VAL 47 -2.225 4.441 0.699 360 2HG1 VAL 47 2HG1 VAL 47 -2.633 3.181 1.889 361 3HG1 VAL 47 3HG1 VAL 47 -3.923 4.169 1.162 362 1HG2 VAL 47 1HG2 VAL 47 -4.016 6.933 2.732 363 2HG2 VAL 47 2HG2 VAL 47 -2.313 7.282 2.349 364 3HG2 VAL 47 3HG2 VAL 47 -3.375 6.567 1.112 365 H THR 48 H THR 48 -5.406 3.163 4.727 366 HA THR 48 HA THR 48 -3.541 1.033 5.378 367 HB THR 48 HB THR 48 -6.554 1.431 5.772 368 HG1 THR 48 HG1 THR 48 -4.788 2.739 6.923 369 1HG2 THR 48 1HG2 THR 48 -5.204 -1.015 5.835 370 2HG2 THR 48 2HG2 THR 48 -5.058 -0.448 7.516 371 3HG2 THR 48 3HG2 THR 48 -6.666 -0.635 6.777 372 H VAL 49 H VAL 49 -2.781 -0.074 3.657 373 HA VAL 49 HA VAL 49 -4.681 -0.739 1.548 374 HB VAL 49 HB VAL 49 -2.793 -1.235 0.219 375 1HG1 VAL 49 1HG1 VAL 49 -3.127 1.278 1.464 376 2HG1 VAL 49 2HG1 VAL 49 -1.372 0.988 1.392 377 3HG1 VAL 49 3HG1 VAL 49 -2.345 0.927 -0.097 378 1HG2 VAL 49 1HG2 VAL 49 -0.524 -1.418 1.012 379 2HG2 VAL 49 2HG2 VAL 49 -1.011 -0.953 2.660 380 3HG2 VAL 49 3HG2 VAL 49 -1.548 -2.507 1.978 381 H TYR 50 H TYR 50 -5.506 -2.771 1.264 382 HA TYR 50 HA TYR 50 -4.569 -4.794 3.176 383 1HB TYR 50 1HB TYR 50 -7.143 -4.348 1.540 384 2HB TYR 50 2HB TYR 50 -6.902 -5.739 2.578 385 HD1 TYR 50 HD1 TYR 50 -6.679 -1.993 2.811 386 HD2 TYR 50 HD2 TYR 50 -7.853 -5.653 4.689 387 HE1 TYR 50 HE1 TYR 50 -7.614 -0.689 4.783 388 HE2 TYR 50 HE2 TYR 50 -8.783 -4.337 6.655 389 HH TYR 50 HH TYR 50 -8.872 -0.810 6.583 390 H LEU 51 H LEU 51 -2.717 -4.945 1.439 391 HA LEU 51 HA LEU 51 -2.870 -5.743 -1.064 392 1HB LEU 51 1HB LEU 51 -1.243 -7.443 0.786 393 2HB LEU 51 2HB LEU 51 -0.843 -6.828 -0.806 394 HG LEU 51 HG LEU 51 -0.919 -5.278 1.793 395 1HD1 LEU 51 1HD1 LEU 51 1.111 -6.374 1.768 396 2HD1 LEU 51 2HD1 LEU 51 1.257 -6.302 -0.004 397 3HD1 LEU 51 3HD1 LEU 51 1.519 -4.836 0.971 398 1HD2 LEU 51 1HD2 LEU 51 -0.782 -4.304 -1.050 399 2HD2 LEU 51 2HD2 LEU 51 -1.746 -3.691 0.315 400 3HD2 LEU 51 3HD2 LEU 51 0.010 -3.402 0.265 401 H ASP 52 H ASP 52 -2.856 -8.355 1.455 402 HA ASP 52 HA ASP 52 -3.979 -10.205 1.622 403 1HB ASP 52 1HB ASP 52 -6.118 -9.243 1.481 404 2HB ASP 52 2HB ASP 52 -5.856 -8.642 -0.144 405 H CYS 53 H CYS 53 -2.290 -9.185 -1.000 406 HA CYS 53 HA CYS 53 -1.893 -9.985 -3.089 407 1HB CYS 53 1HB CYS 53 -0.112 -10.830 -1.720 408 2HB CYS 53 2HB CYS 53 -1.087 -12.169 -1.149 409 HG CYS 53 HG CYS 53 -0.246 -13.675 -2.767 410 H TYR 54 H TYR 54 -2.363 -13.323 -2.098 411 HA TYR 54 HA TYR 54 -4.976 -13.415 -3.416 412 1HB TYR 54 1HB TYR 54 -2.298 -14.590 -4.156 413 2HB TYR 54 2HB TYR 54 -3.630 -15.727 -4.234 414 HD1 TYR 54 HD1 TYR 54 -2.796 -12.239 -5.354 415 HD2 TYR 54 HD2 TYR 54 -4.782 -15.923 -6.241 416 HE1 TYR 54 HE1 TYR 54 -3.423 -11.356 -7.654 417 HE2 TYR 54 HE2 TYR 54 -5.403 -15.027 -8.538 418 HH TYR 54 HH TYR 54 -4.745 -11.684 -9.406 419 H ASN 55 H ASN 55 -5.532 -13.558 -1.024 420 HA ASN 55 HA ASN 55 -6.546 -14.959 0.369 421 1HB ASN 55 1HB ASN 55 -5.985 -16.846 -1.448 422 2HB ASN 55 2HB ASN 55 -4.730 -17.295 -0.311 423 1HD2 ASN 55 1HD2 ASN 55 -5.272 -18.835 1.013 424 2HD2 ASN 55 2HD2 ASN 55 -6.838 -19.153 1.682 425 H ARG 56 H ARG 56 -3.562 -13.724 0.188 426 HA ARG 56 HA ARG 56 -1.996 -13.267 1.607 427 1HB ARG 56 1HB ARG 56 -3.411 -14.903 3.762 428 2HB ARG 56 2HB ARG 56 -2.304 -13.566 4.003 429 1HG ARG 56 1HG ARG 56 -3.941 -11.998 3.701 430 2HG ARG 56 2HG ARG 56 -4.598 -12.820 2.300 431 1HD ARG 56 1HD ARG 56 -6.199 -13.907 3.533 432 2HD ARG 56 2HD ARG 56 -5.080 -14.296 4.824 433 HE ARG 56 HE ARG 56 -5.719 -12.339 5.957 434 1HH1 ARG 56 1HH1 ARG 56 -6.871 -12.207 2.634 435 2HH1 ARG 56 2HH1 ARG 56 -7.842 -10.796 2.892 436 1HH2 ARG 56 1HH2 ARG 56 -6.999 -10.478 6.298 437 2HH2 ARG 56 2HH2 ARG 56 -7.915 -9.805 4.990 438 H GLU 57 H GLU 57 -2.337 -16.005 0.131 439 HA GLU 57 HA GLU 57 -0.926 -17.846 1.739 440 1HB GLU 57 1HB GLU 57 -1.010 -19.297 -0.184 441 2HB GLU 57 2HB GLU 57 -2.536 -18.439 -0.122 442 1HG GLU 57 1HG GLU 57 -2.171 -17.712 -2.237 443 2HG GLU 57 2HG GLU 57 -0.815 -16.770 -1.649 444 H GLN 58 H GLN 58 -0.010 -15.059 -0.034 445 HA GLN 58 HA GLN 58 2.749 -15.965 0.080 446 1HB GLN 58 1HB GLN 58 1.627 -15.922 -2.311 447 2HB GLN 58 2HB GLN 58 1.820 -14.185 -2.185 448 1HG GLN 58 1HG GLN 58 4.078 -14.295 -2.508 449 2HG GLN 58 2HG GLN 58 4.265 -15.623 -1.379 450 1HE2 GLN 58 1HE2 GLN 58 5.549 -15.277 -3.908 451 2HE2 GLN 58 2HE2 GLN 58 5.122 -16.609 -4.929 452 H ILE 59 H ILE 59 0.523 -14.004 1.389 453 HA ILE 59 HA ILE 59 1.349 -11.415 1.143 454 HB ILE 59 HB ILE 59 -0.419 -12.851 2.702 455 1HG1 ILE 59 1HG1 ILE 59 -1.227 -10.608 3.398 456 2HG1 ILE 59 2HG1 ILE 59 0.244 -9.892 2.769 457 1HG2 ILE 59 1HG2 ILE 59 1.616 -11.496 4.487 458 2HG2 ILE 59 2HG2 ILE 59 -0.027 -11.943 5.004 459 3HG2 ILE 59 3HG2 ILE 59 1.120 -13.206 4.494 460 1HD1 ILE 59 1HD1 ILE 59 -0.583 -11.426 0.613 461 2HD1 ILE 59 2HD1 ILE 59 -2.131 -10.901 1.316 462 3HD1 ILE 59 3HD1 ILE 59 -0.924 -9.691 0.819 463 H ASP 60 H ASP 60 2.593 -13.912 3.467 464 HA ASP 60 HA ASP 60 4.330 -12.528 4.868 465 1HB ASP 60 1HB ASP 60 4.092 -14.971 5.038 466 2HB ASP 60 2HB ASP 60 4.833 -15.192 3.465 467 H ARG 61 H ARG 61 4.656 -13.512 1.421 468 HA ARG 61 HA ARG 61 7.319 -12.532 1.261 469 1HB ARG 61 1HB ARG 61 5.379 -13.341 -0.965 470 2HB ARG 61 2HB ARG 61 7.103 -13.096 -1.165 471 1HG ARG 61 1HG ARG 61 6.100 -15.073 0.905 472 2HG ARG 61 2HG ARG 61 6.156 -15.540 -0.783 473 1HD ARG 61 1HD ARG 61 8.662 -14.286 -0.266 474 2HD ARG 61 2HD ARG 61 8.355 -15.302 1.129 475 HE ARG 61 HE ARG 61 7.721 -16.977 -0.964 476 1HH1 ARG 61 1HH1 ARG 61 10.537 -14.987 -0.259 477 2HH1 ARG 61 2HH1 ARG 61 11.641 -16.030 -1.092 478 1HH2 ARG 61 1HH2 ARG 61 9.177 -18.353 -2.062 479 2HH2 ARG 61 2HH2 ARG 61 10.862 -17.958 -2.124 480 H VAL 62 H VAL 62 4.044 -11.570 0.022 481 HA VAL 62 HA VAL 62 4.882 -9.280 -1.326 482 HB VAL 62 HB VAL 62 2.221 -9.748 0.024 483 1HG1 VAL 62 1HG1 VAL 62 2.133 -8.560 -2.611 484 2HG1 VAL 62 2HG1 VAL 62 1.515 -7.933 -1.064 485 3HG1 VAL 62 3HG1 VAL 62 3.201 -7.620 -1.542 486 1HG2 VAL 62 1HG2 VAL 62 1.730 -10.651 -2.428 487 2HG2 VAL 62 2HG2 VAL 62 3.463 -11.052 -2.366 488 3HG2 VAL 62 3HG2 VAL 62 2.351 -11.718 -1.146 489 H VAL 63 H VAL 63 3.213 -9.489 1.903 490 HA VAL 63 HA VAL 63 3.592 -6.867 2.610 491 HB VAL 63 HB VAL 63 3.388 -9.410 4.217 492 1HG1 VAL 63 1HG1 VAL 63 4.604 -7.675 5.528 493 2HG1 VAL 63 2HG1 VAL 63 3.220 -6.579 5.303 494 3HG1 VAL 63 3HG1 VAL 63 3.017 -8.094 6.216 495 1HG2 VAL 63 1HG2 VAL 63 1.122 -9.009 4.330 496 2HG2 VAL 63 2HG2 VAL 63 1.307 -7.252 4.112 497 3HG2 VAL 63 3HG2 VAL 63 1.490 -8.345 2.720 498 H GLY 64 H GLY 64 5.785 -9.702 3.048 499 1HA GLY 64 1HA GLY 64 7.745 -8.475 4.586 500 2HA GLY 64 2HA GLY 64 7.986 -9.814 3.482 501 H ALA 65 H ALA 65 7.177 -8.457 1.023 502 HA ALA 65 HA ALA 65 9.647 -7.110 0.501 503 1HB ALA 65 1HB ALA 65 7.275 -8.098 -1.043 504 2HB ALA 65 2HB ALA 65 8.278 -6.829 -1.784 505 3HB ALA 65 3HB ALA 65 9.011 -8.381 -1.313 506 H PHE 66 H PHE 66 6.189 -6.248 0.947 507 HA PHE 66 HA PHE 66 6.289 -3.651 0.037 508 1HB PHE 66 1HB PHE 66 4.693 -5.403 1.840 509 2HB PHE 66 2HB PHE 66 4.608 -3.723 2.330 510 HD1 PHE 66 HD1 PHE 66 3.842 -6.097 -0.368 511 HD2 PHE 66 HD2 PHE 66 3.437 -2.100 0.999 512 HE1 PHE 66 HE1 PHE 66 2.099 -5.673 -2.124 513 HE2 PHE 66 HE2 PHE 66 1.694 -1.676 -0.756 514 HZ PHE 66 HZ PHE 66 1.046 -3.467 -2.297 515 H ASN 67 H ASN 67 7.667 -5.094 2.943 516 HA ASN 67 HA ASN 67 7.727 -2.812 4.514 517 1HB ASN 67 1HB ASN 67 8.198 -5.160 5.314 518 2HB ASN 67 2HB ASN 67 9.709 -5.149 4.427 519 1HD2 ASN 67 1HD2 ASN 67 8.299 -4.669 7.361 520 2HD2 ASN 67 2HD2 ASN 67 9.495 -3.700 8.155 521 H GLN 68 H GLN 68 10.036 -4.278 2.133 522 HA GLN 68 HA GLN 68 11.968 -2.247 2.551 523 1HB GLN 68 1HB GLN 68 13.197 -3.353 0.739 524 2HB GLN 68 2HB GLN 68 12.575 -4.554 1.853 525 1HG GLN 68 1HG GLN 68 11.030 -5.385 0.329 526 2HG GLN 68 2HG GLN 68 10.782 -3.831 -0.441 527 1HE2 GLN 68 1HE2 GLN 68 11.954 -6.823 -0.895 528 2HE2 GLN 68 2HE2 GLN 68 13.145 -6.558 -2.125 529 H ALA 69 H ALA 69 9.125 -2.702 0.526 530 HA ALA 69 HA ALA 69 9.919 -0.731 -1.409 531 1HB ALA 69 1HB ALA 69 7.337 -2.237 -0.847 532 2HB ALA 69 2HB ALA 69 7.542 -1.090 -2.192 533 3HB ALA 69 3HB ALA 69 8.529 -2.570 -2.126 534 H LYS 70 H LYS 70 8.798 -0.697 1.817 535 HA LYS 70 HA LYS 70 6.919 1.259 1.932 536 1HB LYS 70 1HB LYS 70 7.468 1.471 4.175 537 2HB LYS 70 2HB LYS 70 8.047 -0.137 3.789 538 1HG LYS 70 1HG LYS 70 10.349 0.688 3.535 539 2HG LYS 70 2HG LYS 70 9.819 2.349 3.714 540 1HD LYS 70 1HD LYS 70 9.714 2.202 5.996 541 2HD LYS 70 2HD LYS 70 8.945 0.628 5.957 542 1HE LYS 70 1HE LYS 70 11.055 0.172 6.935 543 2HE LYS 70 2HE LYS 70 11.281 -0.304 5.263 544 1HZ LYS 70 1HZ LYS 70 13.066 1.088 6.071 545 2HZ LYS 70 2HZ LYS 70 12.288 1.818 4.835 546 3HZ LYS 70 3HZ LYS 70 12.030 2.314 6.370 547 H GLY 71 H GLY 71 10.258 1.507 0.875 548 1HA GLY 71 1HA GLY 71 10.561 4.310 1.293 549 2HA GLY 71 2HA GLY 71 11.543 3.267 0.285 550 H VAL 72 H VAL 72 10.104 2.333 -1.734 551 HA VAL 72 HA VAL 72 9.705 4.512 -3.397 552 HB VAL 72 HB VAL 72 8.664 2.834 -4.907 553 1HG1 VAL 72 1HG1 VAL 72 11.188 1.782 -3.596 554 2HG1 VAL 72 2HG1 VAL 72 10.674 1.592 -5.289 555 3HG1 VAL 72 3HG1 VAL 72 11.150 3.194 -4.678 556 1HG2 VAL 72 1HG2 VAL 72 9.129 0.884 -2.627 557 2HG2 VAL 72 2HG2 VAL 72 7.537 1.500 -3.131 558 3HG2 VAL 72 3HG2 VAL 72 8.503 0.508 -4.250 559 H PHE 73 H PHE 73 7.369 2.524 -1.492 560 HA PHE 73 HA PHE 73 5.048 3.625 -2.483 561 1HB PHE 73 1HB PHE 73 5.839 2.739 0.357 562 2HB PHE 73 2HB PHE 73 4.180 2.898 -0.187 563 HD1 PHE 73 HD1 PHE 73 5.197 1.758 -3.059 564 HD2 PHE 73 HD2 PHE 73 5.232 0.394 0.959 565 HE1 PHE 73 HE1 PHE 73 5.233 -0.619 -3.866 566 HE2 PHE 73 HE2 PHE 73 5.269 -1.983 0.152 567 HZ PHE 73 HZ PHE 73 5.269 -2.461 -2.251 568 H SER 74 H SER 74 7.020 4.663 0.387 569 HA SER 74 HA SER 74 5.365 6.752 1.084 570 1HB SER 74 1HB SER 74 7.438 7.647 2.257 571 2HB SER 74 2HB SER 74 7.018 5.991 2.648 572 HG SER 74 HG SER 74 9.006 6.797 0.697 573 H ARG 75 H ARG 75 7.990 6.469 -1.328 574 HA ARG 75 HA ARG 75 8.496 9.112 -1.743 575 1HB ARG 75 1HB ARG 75 9.303 6.726 -2.886 576 2HB ARG 75 2HB ARG 75 8.377 7.417 -4.203 577 1HG ARG 75 1HG ARG 75 9.752 9.392 -4.283 578 2HG ARG 75 2HG ARG 75 10.468 9.057 -2.719 579 1HD ARG 75 1HD ARG 75 12.115 7.826 -3.684 580 2HD ARG 75 2HD ARG 75 10.938 6.774 -4.444 581 HE ARG 75 HE ARG 75 11.090 9.292 -5.858 582 1HH1 ARG 75 1HH1 ARG 75 12.813 6.259 -5.395 583 2HH1 ARG 75 2HH1 ARG 75 13.595 6.321 -6.939 584 1HH2 ARG 75 1HH2 ARG 75 12.121 9.374 -7.895 585 2HH2 ARG 75 2HH2 ARG 75 13.199 8.104 -8.371 586 H VAL 76 H VAL 76 5.946 6.976 -3.166 587 HA VAL 76 HA VAL 76 4.928 8.634 -5.075 588 HB VAL 76 HB VAL 76 3.399 6.834 -3.186 589 1HG1 VAL 76 1HG1 VAL 76 2.445 6.883 -5.916 590 2HG1 VAL 76 2HG1 VAL 76 1.573 7.234 -4.404 591 3HG1 VAL 76 3HG1 VAL 76 2.468 8.528 -5.237 592 1HG2 VAL 76 1HG2 VAL 76 5.073 6.266 -5.629 593 2HG2 VAL 76 2HG2 VAL 76 5.068 5.447 -4.049 594 3HG2 VAL 76 3HG2 VAL 76 3.717 5.204 -5.182 595 H LEU 77 H LEU 77 4.179 8.582 -1.532 596 HA LEU 77 HA LEU 77 2.359 10.752 -1.748 597 1HB LEU 77 1HB LEU 77 3.722 9.935 0.792 598 2HB LEU 77 2HB LEU 77 2.099 10.550 0.547 599 HG LEU 77 HG LEU 77 2.540 7.995 -0.814 600 1HD1 LEU 77 1HD1 LEU 77 2.347 7.533 2.091 601 2HD1 LEU 77 2HD1 LEU 77 3.222 6.630 0.832 602 3HD1 LEU 77 3HD1 LEU 77 3.933 8.108 1.523 603 1HD2 LEU 77 1HD2 LEU 77 0.477 7.515 0.759 604 2HD2 LEU 77 2HD2 LEU 77 0.488 9.286 0.936 605 3HD2 LEU 77 3HD2 LEU 77 0.326 8.554 -0.678 606 H ALA 78 H ALA 78 5.860 10.372 -1.188 607 HA ALA 78 HA ALA 78 6.553 12.722 -0.063 608 1HB ALA 78 1HB ALA 78 8.689 12.404 -1.074 609 2HB ALA 78 2HB ALA 78 8.001 10.773 -0.886 610 3HB ALA 78 3HB ALA 78 7.984 11.568 -2.479 611 H HIS 79 H HIS 79 5.453 12.144 -3.430 612 HA HIS 79 HA HIS 79 6.136 14.376 -4.703 613 1HB HIS 79 1HB HIS 79 4.050 12.426 -4.900 614 2HB HIS 79 2HB HIS 79 3.352 13.999 -5.227 615 HD1 HIS 79 HD1 HIS 79 5.790 15.311 -6.707 616 HD2 HIS 79 HD2 HIS 79 4.299 11.465 -7.469 617 HE1 HIS 79 HE1 HIS 79 6.504 14.725 -9.086 618 HE2 HIS 79 HE2 HIS 79 5.607 12.330 -9.477 619 H ASN 80 H ASN 80 3.943 14.135 -1.933 620 HA ASN 80 HA ASN 80 3.381 16.975 -2.244 621 1HB ASN 80 1HB ASN 80 1.938 14.704 -0.818 622 2HB ASN 80 2HB ASN 80 1.634 16.364 -0.345 623 1HD2 ASN 80 1HD2 ASN 80 -0.020 14.275 -1.676 624 2HD2 ASN 80 2HD2 ASN 80 -0.655 15.000 -3.115 625 H LEU 81 H LEU 81 3.672 14.507 0.436 626 HA LEU 81 HA LEU 81 4.905 16.510 2.120 627 1HB LEU 81 1HB LEU 81 3.938 13.692 2.574 628 2HB LEU 81 2HB LEU 81 4.814 14.600 3.790 629 HG LEU 81 HG LEU 81 2.478 14.753 4.269 630 1HD1 LEU 81 1HD1 LEU 81 3.053 17.432 3.026 631 2HD1 LEU 81 2HD1 LEU 81 2.251 17.045 4.568 632 3HD1 LEU 81 3HD1 LEU 81 4.011 16.833 4.402 633 1HD2 LEU 81 1HD2 LEU 81 1.819 16.110 1.683 634 2HD2 LEU 81 2HD2 LEU 81 1.914 14.333 1.736 635 3HD2 LEU 81 3HD2 LEU 81 0.775 15.195 2.797 636 H TYR 82 H TYR 82 6.681 15.027 3.654 637 HA TYR 82 HA TYR 82 8.432 13.321 2.722 638 1HB TYR 82 1HB TYR 82 8.833 14.300 0.587 639 2HB TYR 82 2HB TYR 82 8.477 15.916 1.163 640 HD1 TYR 82 HD1 TYR 82 10.996 13.381 2.315 641 HD2 TYR 82 HD2 TYR 82 10.303 17.271 0.674 642 HE1 TYR 82 HE1 TYR 82 13.484 13.887 2.446 643 HE2 TYR 82 HE2 TYR 82 12.793 17.764 0.810 644 HH TYR 82 HH TYR 82 14.778 16.530 2.585 645 H LEU 83 H LEU 83 8.488 16.850 3.562 646 HA LEU 83 HA LEU 83 10.789 16.573 5.193 647 1HB LEU 83 1HB LEU 83 9.930 18.878 6.006 648 2HB LEU 83 2HB LEU 83 10.571 18.687 4.386 649 HG LEU 83 HG LEU 83 8.372 20.043 4.810 650 1HD1 LEU 83 1HD1 LEU 83 9.500 18.737 2.594 651 2HD1 LEU 83 2HD1 LEU 83 7.754 18.400 2.518 652 3HD1 LEU 83 3HD1 LEU 83 8.333 20.081 2.592 653 1HD2 LEU 83 1HD2 LEU 83 7.489 17.223 5.162 654 2HD2 LEU 83 2HD2 LEU 83 6.864 18.727 5.880 655 3HD2 LEU 83 3HD2 LEU 83 6.442 18.298 4.205 656 H ALA 84 H ALA 84 8.339 18.302 6.880 657 HA ALA 84 HA ALA 84 8.597 16.979 9.224 658 1HB ALA 84 1HB ALA 84 5.848 17.860 8.842 659 2HB ALA 84 2HB ALA 84 7.132 18.566 9.854 660 3HB ALA 84 3HB ALA 84 6.994 19.027 8.140 661 H LYS 85 H LYS 85 7.053 15.851 6.309 662 HA LYS 85 HA LYS 85 6.431 13.722 5.897 663 1HB LYS 85 1HB LYS 85 6.211 13.329 8.897 664 2HB LYS 85 2HB LYS 85 6.025 12.081 7.682 665 1HG LYS 85 1HG LYS 85 8.265 11.743 7.854 666 2HG LYS 85 2HG LYS 85 8.469 13.250 6.985 667 1HD LYS 85 1HD LYS 85 8.938 14.478 8.922 668 2HD LYS 85 2HD LYS 85 7.994 13.423 9.954 669 1HE LYS 85 1HE LYS 85 10.092 12.695 10.594 670 2HE LYS 85 2HE LYS 85 9.880 11.630 9.219 671 1HZ LYS 85 1HZ LYS 85 10.884 13.674 7.981 672 2HZ LYS 85 2HZ LYS 85 11.524 14.001 9.447 673 3HZ LYS 85 3HZ LYS 85 11.848 12.578 8.714 674 H ALA 86 H ALA 86 4.249 12.706 8.039 675 HA ALA 86 HA ALA 86 2.099 13.278 8.562 676 1HB ALA 86 1HB ALA 86 1.063 15.244 7.842 677 2HB ALA 86 2HB ALA 86 2.782 15.707 7.823 678 3HB ALA 86 3HB ALA 86 1.960 15.275 6.305 679 H VAL 87 H VAL 87 3.301 11.288 6.788 680 HA VAL 87 HA VAL 87 0.944 10.354 5.577 681 HB VAL 87 HB VAL 87 1.442 12.085 3.936 682 1HG1 VAL 87 1HG1 VAL 87 4.137 10.716 3.792 683 2HG1 VAL 87 2HG1 VAL 87 3.517 11.743 2.477 684 3HG1 VAL 87 3HG1 VAL 87 3.775 12.432 4.097 685 1HG2 VAL 87 1HG2 VAL 87 0.919 10.790 2.131 686 2HG2 VAL 87 2HG2 VAL 87 2.210 9.609 2.459 687 3HG2 VAL 87 3HG2 VAL 87 0.702 9.564 3.404 688 H GLN 88 H GLN 88 1.288 8.185 4.612 689 HA GLN 88 HA GLN 88 3.598 6.911 4.276 690 1HB GLN 88 1HB GLN 88 3.316 7.527 7.091 691 2HB GLN 88 2HB GLN 88 3.240 5.788 6.887 692 1HG GLN 88 1HG GLN 88 5.358 5.832 5.575 693 2HG GLN 88 2HG GLN 88 5.428 7.577 5.724 694 1HE2 GLN 88 1HE2 GLN 88 7.570 6.443 6.564 695 2HE2 GLN 88 2HE2 GLN 88 7.695 6.324 8.288 696 H ILE 89 H ILE 89 3.009 4.994 3.328 697 HA ILE 89 HA ILE 89 0.280 4.189 3.524 698 HB ILE 89 HB ILE 89 2.667 3.041 2.078 699 1HG1 ILE 89 1HG1 ILE 89 0.306 4.580 0.970 700 2HG1 ILE 89 2HG1 ILE 89 1.820 5.336 1.423 701 1HG2 ILE 89 1HG2 ILE 89 0.102 1.850 2.615 702 2HG2 ILE 89 2HG2 ILE 89 0.274 2.170 0.872 703 3HG2 ILE 89 3HG2 ILE 89 1.495 1.193 1.723 704 1HD1 ILE 89 1HD1 ILE 89 2.948 4.488 -0.389 705 2HD1 ILE 89 2HD1 ILE 89 2.093 2.928 -0.317 706 3HD1 ILE 89 3HD1 ILE 89 1.311 4.338 -1.072 707 H HIS 90 H HIS 90 -0.627 2.502 4.657 708 HA HIS 90 HA HIS 90 1.247 1.036 6.368 709 1HB HIS 90 1HB HIS 90 -0.169 2.589 7.620 710 2HB HIS 90 2HB HIS 90 -1.611 1.880 6.922 711 HD1 HIS 90 HD1 HIS 90 0.891 1.415 9.635 712 HD2 HIS 90 HD2 HIS 90 -2.222 -0.780 7.878 713 HE1 HIS 90 HE1 HIS 90 0.385 -0.510 11.231 714 HE2 HIS 90 HE2 HIS 90 -1.572 -1.792 10.125 715 H PHE 91 H PHE 91 1.142 -1.203 6.394 716 HA PHE 91 HA PHE 91 -0.489 -2.356 4.298 717 1HB PHE 91 1HB PHE 91 1.081 -4.169 4.514 718 2HB PHE 91 2HB PHE 91 2.054 -2.760 4.886 719 HD1 PHE 91 HD1 PHE 91 -0.047 -5.332 6.586 720 HD2 PHE 91 HD2 PHE 91 3.309 -2.747 6.831 721 HE1 PHE 91 HE1 PHE 91 0.569 -6.342 8.800 722 HE2 PHE 91 HE2 PHE 91 3.926 -3.757 9.045 723 HZ PHE 91 HZ PHE 91 2.548 -5.543 10.002 724 H VAL 92 H VAL 92 -1.911 -4.180 4.631 725 HA VAL 92 HA VAL 92 -2.586 -4.774 7.396 726 HB VAL 92 HB VAL 92 -4.364 -3.425 5.394 727 1HG1 VAL 92 1HG1 VAL 92 -6.279 -4.111 6.997 728 2HG1 VAL 92 2HG1 VAL 92 -5.718 -5.293 5.791 729 3HG1 VAL 92 3HG1 VAL 92 -5.195 -5.435 7.486 730 1HG2 VAL 92 1HG2 VAL 92 -5.126 -2.431 7.732 731 2HG2 VAL 92 2HG2 VAL 92 -3.522 -3.014 8.240 732 3HG2 VAL 92 3HG2 VAL 92 -3.662 -1.843 6.907 733 H LYS 93 H LYS 93 -3.520 -6.854 7.658 734 HA LYS 93 HA LYS 93 -4.165 -8.378 5.310 735 1HB LYS 93 1HB LYS 93 -2.439 -10.182 6.109 736 2HB LYS 93 2HB LYS 93 -1.950 -8.896 5.025 737 1HG LYS 93 1HG LYS 93 -0.573 -7.939 6.581 738 2HG LYS 93 2HG LYS 93 -1.750 -8.110 7.868 739 1HD LYS 93 1HD LYS 93 -0.801 -10.039 8.631 740 2HD LYS 93 2HD LYS 93 -0.691 -10.723 7.021 741 1HE LYS 93 1HE LYS 93 1.304 -9.061 6.664 742 2HE LYS 93 2HE LYS 93 1.286 -8.871 8.406 743 1HZ LYS 93 1HZ LYS 93 2.760 -10.638 7.577 744 2HZ LYS 93 2HZ LYS 93 1.669 -11.172 8.667 745 3HZ LYS 93 3HZ LYS 93 1.455 -11.484 7.079 746 H ASP 94 H ASP 94 -3.428 -8.334 8.848 747 HA ASP 94 HA ASP 94 -5.964 -9.647 9.236 748 1HB ASP 94 1HB ASP 94 -3.291 -10.834 9.800 749 2HB ASP 94 2HB ASP 94 -4.405 -10.914 11.151 750 H LYS 95 H LYS 95 -4.799 -6.914 9.629 751 HA LYS 95 HA LYS 95 -4.056 -6.561 12.320 752 1HB LYS 95 1HB LYS 95 -4.621 -4.893 9.966 753 2HB LYS 95 2HB LYS 95 -5.069 -4.133 11.480 754 1HG LYS 95 1HG LYS 95 -2.355 -5.460 11.052 755 2HG LYS 95 2HG LYS 95 -2.643 -3.768 10.695 756 1HD LYS 95 1HD LYS 95 -3.535 -3.573 13.131 757 2HD LYS 95 2HD LYS 95 -2.831 -5.155 13.400 758 1HE LYS 95 1HE LYS 95 -1.147 -2.949 12.172 759 2HE LYS 95 2HE LYS 95 -1.403 -2.984 13.905 760 1HZ LYS 95 1HZ LYS 95 0.290 -4.589 12.364 761 2HZ LYS 95 2HZ LYS 95 0.176 -4.493 13.990 762 3HZ LYS 95 3HZ LYS 95 -0.761 -5.547 13.167 763 H ALA 96 H ALA 96 -7.019 -7.459 10.884 764 HA ALA 96 HA ALA 96 -8.699 -6.084 12.770 765 1HB ALA 96 1HB ALA 96 -10.126 -8.169 11.523 766 2HB ALA 96 2HB ALA 96 -10.099 -6.454 11.049 767 3HB ALA 96 3HB ALA 96 -8.963 -7.602 10.301 768 H ILE 97 H ILE 97 -6.726 -7.380 14.213 769 HA ILE 97 HA ILE 97 -6.281 -9.055 15.634 770 HB ILE 97 HB ILE 97 -9.138 -8.332 16.277 771 1HG1 ILE 97 1HG1 ILE 97 -6.535 -7.382 17.508 772 2HG1 ILE 97 2HG1 ILE 97 -7.432 -6.501 16.286 773 1HG2 ILE 97 1HG2 ILE 97 -7.888 -9.169 18.624 774 2HG2 ILE 97 2HG2 ILE 97 -9.161 -10.023 17.720 775 3HG2 ILE 97 3HG2 ILE 97 -7.448 -10.400 17.416 776 1HD1 ILE 97 1HD1 ILE 97 -8.003 -5.679 18.546 777 2HD1 ILE 97 2HD1 ILE 97 -9.425 -6.431 17.783 778 3HD1 ILE 97 3HD1 ILE 97 -8.509 -7.318 19.025 779 H ASP 98 H ASP 98 -6.180 -10.471 13.548 780 HA ASP 98 HA ASP 98 -8.356 -12.271 13.261 781 1HB ASP 98 1HB ASP 98 -6.930 -11.631 11.340 782 2HB ASP 98 2HB ASP 98 -5.514 -12.281 12.143 783 H ASN 99 H ASN 99 -5.962 -11.887 15.577 784 HA ASN 99 HA ASN 99 -6.386 -14.375 16.704 785 1HB ASN 99 1HB ASN 99 -4.089 -14.190 14.832 786 2HB ASN 99 2HB ASN 99 -3.610 -14.720 16.432 787 1HD2 ASN 99 1HD2 ASN 99 -4.673 -16.541 17.383 788 2HD2 ASN 99 2HD2 ASN 99 -5.331 -17.804 16.398 789 H ALA 100 H ALA 100 -6.762 -12.311 18.130 790 HA ALA 100 HA ALA 100 -4.548 -12.060 19.910 791 1HB ALA 100 1HB ALA 100 -5.465 -9.561 18.435 792 2HB ALA 100 2HB ALA 100 -4.185 -9.677 19.667 793 3HB ALA 100 3HB ALA 100 -3.959 -10.439 18.074 794 H MET 101 H MET 101 -5.194 -10.705 21.847 795 HA MET 101 HA MET 101 -7.752 -9.733 22.135 796 1HB MET 101 1HB MET 101 -8.826 -11.546 23.458 797 2HB MET 101 2HB MET 101 -8.414 -12.146 21.864 798 1HG MET 101 1HG MET 101 -6.965 -13.692 22.711 799 2HG MET 101 2HG MET 101 -6.173 -12.506 23.730 800 1HE MET 101 1HE MET 101 -7.509 -15.858 25.300 801 2HE MET 101 2HE MET 101 -8.958 -15.662 24.286 802 3HE MET 101 3HE MET 101 -7.340 -15.459 23.573 Start of MODEL 13 1 H LYS 6 H LYS 6 -14.147 2.777 -10.491 2 HA LYS 6 HA LYS 6 -16.024 4.711 -9.633 3 1HB LYS 6 1HB LYS 6 -16.656 2.171 -8.741 4 2HB LYS 6 2HB LYS 6 -15.719 2.818 -7.409 5 1HG LYS 6 1HG LYS 6 -17.889 3.565 -6.889 6 2HG LYS 6 2HG LYS 6 -17.201 4.968 -7.683 7 1HD LYS 6 1HD LYS 6 -18.482 4.691 -9.615 8 2HD LYS 6 2HD LYS 6 -18.571 2.949 -9.442 9 1HE LYS 6 1HE LYS 6 -20.029 3.446 -7.312 10 2HE LYS 6 2HE LYS 6 -20.182 5.064 -7.967 11 1HZ LYS 6 1HZ LYS 6 -21.354 4.308 -9.741 12 2HZ LYS 6 2HZ LYS 6 -20.705 2.810 -9.722 13 3HZ LYS 6 3HZ LYS 6 -21.841 3.221 -8.623 14 H GLU 7 H GLU 7 -15.100 4.803 -6.877 15 HA GLU 7 HA GLU 7 -13.513 6.088 -5.985 16 1HB GLU 7 1HB GLU 7 -12.464 3.322 -6.453 17 2HB GLU 7 2HB GLU 7 -11.306 4.502 -5.873 18 1HG GLU 7 1HG GLU 7 -12.232 4.553 -3.788 19 2HG GLU 7 2HG GLU 7 -13.861 4.687 -4.420 20 H ARG 8 H ARG 8 -13.175 7.852 -7.429 21 HA ARG 8 HA ARG 8 -11.541 7.567 -9.682 22 1HB ARG 8 1HB ARG 8 -13.353 9.419 -8.941 23 2HB ARG 8 2HB ARG 8 -11.932 10.247 -8.336 24 1HG ARG 8 1HG ARG 8 -10.961 10.448 -10.491 25 2HG ARG 8 2HG ARG 8 -11.906 9.128 -11.152 26 1HD ARG 8 1HD ARG 8 -13.970 10.740 -10.551 27 2HD ARG 8 2HD ARG 8 -12.741 11.986 -10.635 28 HE ARG 8 HE ARG 8 -12.326 10.488 -12.946 29 1HH1 ARG 8 1HH1 ARG 8 -15.075 12.188 -11.553 30 2HH1 ARG 8 2HH1 ARG 8 -15.797 12.541 -13.087 31 1HH2 ARG 8 1HH2 ARG 8 -13.279 10.954 -14.970 32 2HH2 ARG 8 2HH2 ARG 8 -14.768 11.834 -15.044 33 H LEU 9 H LEU 9 -11.020 9.645 -6.730 34 HA LEU 9 HA LEU 9 -8.289 9.963 -7.178 35 1HB LEU 9 1HB LEU 9 -8.329 11.251 -5.337 36 2HB LEU 9 2HB LEU 9 -10.053 11.191 -5.649 37 HG LEU 9 HG LEU 9 -8.758 9.219 -3.773 38 1HD1 LEU 9 1HD1 LEU 9 -8.708 12.013 -3.395 39 2HD1 LEU 9 2HD1 LEU 9 -9.997 11.384 -2.340 40 3HD1 LEU 9 3HD1 LEU 9 -8.344 10.736 -2.210 41 1HD2 LEU 9 1HD2 LEU 9 -10.835 8.551 -3.313 42 2HD2 LEU 9 2HD2 LEU 9 -11.435 10.220 -3.166 43 3HD2 LEU 9 3HD2 LEU 9 -11.326 9.451 -4.768 44 H GLU 10 H GLU 10 -10.099 7.686 -5.014 45 HA GLU 10 HA GLU 10 -8.016 6.489 -3.817 46 1HB GLU 10 1HB GLU 10 -10.788 5.858 -4.371 47 2HB GLU 10 2HB GLU 10 -9.836 4.395 -4.525 48 1HG GLU 10 1HG GLU 10 -8.763 5.545 -2.225 49 2HG GLU 10 2HG GLU 10 -10.451 6.001 -2.106 50 H ASN 11 H ASN 11 -9.428 5.618 -7.046 51 HA ASN 11 HA ASN 11 -7.772 3.504 -7.557 52 1HB ASN 11 1HB ASN 11 -9.267 5.501 -9.278 53 2HB ASN 11 2HB ASN 11 -8.163 4.394 -10.069 54 1HD2 ASN 11 1HD2 ASN 11 -9.833 3.365 -11.138 55 2HD2 ASN 11 2HD2 ASN 11 -10.918 2.258 -10.365 56 H ASP 12 H ASP 12 -7.470 7.017 -8.477 57 HA ASP 12 HA ASP 12 -5.207 6.949 -9.902 58 1HB ASP 12 1HB ASP 12 -6.745 8.902 -8.541 59 2HB ASP 12 2HB ASP 12 -5.112 9.144 -7.952 60 H ILE 13 H ILE 13 -5.641 6.754 -6.338 61 HA ILE 13 HA ILE 13 -2.884 7.029 -5.724 62 HB ILE 13 HB ILE 13 -5.151 5.884 -4.090 63 1HG1 ILE 13 1HG1 ILE 13 -4.164 8.659 -3.670 64 2HG1 ILE 13 2HG1 ILE 13 -5.131 8.382 -5.105 65 1HG2 ILE 13 1HG2 ILE 13 -2.832 7.224 -2.817 66 2HG2 ILE 13 2HG2 ILE 13 -3.797 5.827 -2.282 67 3HG2 ILE 13 3HG2 ILE 13 -2.536 5.616 -3.521 68 1HD1 ILE 13 1HD1 ILE 13 -6.081 8.748 -2.471 69 2HD1 ILE 13 2HD1 ILE 13 -7.035 8.230 -3.883 70 3HD1 ILE 13 3HD1 ILE 13 -6.310 7.014 -2.804 71 H ILE 14 H ILE 14 -5.162 4.221 -5.980 72 HA ILE 14 HA ILE 14 -3.401 2.237 -5.305 73 HB ILE 14 HB ILE 14 -5.862 2.443 -6.946 74 1HG1 ILE 14 1HG1 ILE 14 -6.552 0.633 -5.334 75 2HG1 ILE 14 2HG1 ILE 14 -4.992 0.800 -4.553 76 1HG2 ILE 14 1HG2 ILE 14 -4.825 0.993 -8.435 77 2HG2 ILE 14 2HG2 ILE 14 -3.904 0.168 -7.155 78 3HG2 ILE 14 3HG2 ILE 14 -5.655 -0.110 -7.310 79 1HD1 ILE 14 1HD1 ILE 14 -5.514 3.306 -4.297 80 2HD1 ILE 14 2HD1 ILE 14 -7.173 2.911 -4.807 81 3HD1 ILE 14 3HD1 ILE 14 -6.506 2.199 -3.318 82 H ARG 15 H ARG 15 -4.043 3.599 -8.610 83 HA ARG 15 HA ARG 15 -2.154 2.027 -9.855 84 1HB ARG 15 1HB ARG 15 -3.873 3.249 -11.116 85 2HB ARG 15 2HB ARG 15 -3.255 4.792 -10.559 86 1HG ARG 15 1HG ARG 15 -1.138 4.436 -11.782 87 2HG ARG 15 2HG ARG 15 -1.643 2.825 -12.252 88 1HD ARG 15 1HD ARG 15 -2.207 4.055 -14.171 89 2HD ARG 15 2HD ARG 15 -3.734 4.055 -13.311 90 HE ARG 15 HE ARG 15 -2.355 6.320 -12.375 91 1HH1 ARG 15 1HH1 ARG 15 -3.533 5.144 -15.476 92 2HH1 ARG 15 2HH1 ARG 15 -3.771 6.730 -16.131 93 1HH2 ARG 15 1HH2 ARG 15 -2.669 8.412 -13.239 94 2HH2 ARG 15 2HH2 ARG 15 -3.276 8.601 -14.850 95 H LEU 16 H LEU 16 -1.900 4.982 -7.924 96 HA LEU 16 HA LEU 16 0.506 5.981 -8.868 97 1HB LEU 16 1HB LEU 16 -1.329 6.550 -6.849 98 2HB LEU 16 2HB LEU 16 0.173 6.251 -5.996 99 HG LEU 16 HG LEU 16 1.310 7.983 -7.239 100 1HD1 LEU 16 1HD1 LEU 16 -0.425 9.428 -8.721 101 2HD1 LEU 16 2HD1 LEU 16 0.641 8.165 -9.384 102 3HD1 LEU 16 3HD1 LEU 16 -1.057 7.789 -9.006 103 1HD2 LEU 16 1HD2 LEU 16 0.290 8.849 -5.319 104 2HD2 LEU 16 2HD2 LEU 16 -0.186 9.970 -6.616 105 3HD2 LEU 16 3HD2 LEU 16 -1.341 8.752 -6.025 106 H ILE 17 H ILE 17 -0.010 3.883 -5.939 107 HA ILE 17 HA ILE 17 2.617 3.384 -5.412 108 HB ILE 17 HB ILE 17 0.037 2.055 -4.874 109 1HG1 ILE 17 1HG1 ILE 17 1.074 3.841 -3.460 110 2HG1 ILE 17 2HG1 ILE 17 0.669 2.368 -2.601 111 1HG2 ILE 17 1HG2 ILE 17 1.049 0.085 -3.856 112 2HG2 ILE 17 2HG2 ILE 17 1.381 0.137 -5.604 113 3HG2 ILE 17 3HG2 ILE 17 2.653 0.586 -4.442 114 1HD1 ILE 17 1HD1 ILE 17 3.044 3.502 -2.263 115 2HD1 ILE 17 2HD1 ILE 17 2.906 1.728 -2.336 116 3HD1 ILE 17 3HD1 ILE 17 3.442 2.639 -3.769 117 H ASN 18 H ASN 18 0.463 1.813 -7.825 118 HA ASN 18 HA ASN 18 2.027 -0.289 -8.497 119 1HB ASN 18 1HB ASN 18 -0.212 1.117 -9.608 120 2HB ASN 18 2HB ASN 18 0.944 0.949 -10.914 121 1HD2 ASN 18 1HD2 ASN 18 -0.806 -0.398 -11.773 122 2HD2 ASN 18 2HD2 ASN 18 -0.858 -2.082 -11.373 123 H ARG 19 H ARG 19 2.020 3.084 -9.876 124 HA ARG 19 HA ARG 19 3.909 2.803 -11.758 125 1HB ARG 19 1HB ARG 19 2.802 5.002 -10.154 126 2HB ARG 19 2HB ARG 19 4.479 5.314 -10.554 127 1HG ARG 19 1HG ARG 19 2.764 4.273 -12.784 128 2HG ARG 19 2HG ARG 19 2.407 5.897 -12.231 129 1HD ARG 19 1HD ARG 19 4.208 6.705 -13.353 130 2HD ARG 19 2HD ARG 19 5.276 5.661 -12.436 131 HE ARG 19 HE ARG 19 5.431 4.276 -14.303 132 1HH1 ARG 19 1HH1 ARG 19 2.439 6.113 -14.523 133 2HH1 ARG 19 2HH1 ARG 19 2.024 5.494 -16.086 134 1HH2 ARG 19 1HH2 ARG 19 4.885 3.459 -16.366 135 2HH2 ARG 19 2HH2 ARG 19 3.425 3.974 -17.142 136 H THR 20 H THR 20 4.361 3.332 -8.214 137 HA THR 20 HA THR 20 7.191 3.568 -8.371 138 HB THR 20 HB THR 20 5.139 4.007 -6.490 139 HG1 THR 20 HG1 THR 20 7.181 4.570 -5.239 140 1HG2 THR 20 1HG2 THR 20 5.277 1.712 -5.602 141 2HG2 THR 20 2HG2 THR 20 7.055 1.793 -5.590 142 3HG2 THR 20 3HG2 THR 20 6.111 2.807 -4.473 143 H VAL 21 H VAL 21 4.913 0.856 -8.166 144 HA VAL 21 HA VAL 21 6.878 -1.020 -7.335 145 HB VAL 21 HB VAL 21 4.146 -1.284 -8.600 146 1HG1 VAL 21 1HG1 VAL 21 4.207 -3.583 -8.383 147 2HG1 VAL 21 2HG1 VAL 21 5.886 -3.244 -8.868 148 3HG1 VAL 21 3HG1 VAL 21 5.498 -3.545 -7.157 149 1HG2 VAL 21 1HG2 VAL 21 3.572 -0.567 -6.534 150 2HG2 VAL 21 2HG2 VAL 21 3.930 -2.246 -6.063 151 3HG2 VAL 21 3HG2 VAL 21 5.157 -0.977 -5.835 152 H ILE 22 H ILE 22 5.547 0.117 -10.478 153 HA ILE 22 HA ILE 22 7.092 -1.809 -11.939 154 HB ILE 22 HB ILE 22 5.938 -1.129 -13.767 155 1HG1 ILE 22 1HG1 ILE 22 4.883 1.317 -13.744 156 2HG1 ILE 22 2HG1 ILE 22 6.198 1.624 -12.627 157 1HG2 ILE 22 1HG2 ILE 22 3.781 -1.276 -13.152 158 2HG2 ILE 22 2HG2 ILE 22 4.454 -1.446 -11.513 159 3HG2 ILE 22 3HG2 ILE 22 3.876 0.140 -12.078 160 1HD1 ILE 22 1HD1 ILE 22 6.693 0.211 -15.272 161 2HD1 ILE 22 2HD1 ILE 22 6.667 1.987 -15.154 162 3HD1 ILE 22 3HD1 ILE 22 7.867 1.050 -14.230 163 H HIS 23 H HIS 23 7.435 1.507 -10.743 164 HA HIS 23 HA HIS 23 9.802 1.869 -12.387 165 1HB HIS 23 1HB HIS 23 8.244 3.718 -12.305 166 2HB HIS 23 2HB HIS 23 8.276 3.734 -10.553 167 HD1 HIS 23 HD1 HIS 23 11.297 3.588 -12.901 168 HD2 HIS 23 HD2 HIS 23 9.537 6.123 -10.059 169 HE1 HIS 23 HE1 HIS 23 12.924 5.525 -12.566 170 HE2 HIS 23 HE2 HIS 23 11.764 7.076 -10.850 171 H GLU 24 H GLU 24 8.969 0.391 -9.494 172 HA GLU 24 HA GLU 24 11.706 0.464 -8.667 173 1HB GLU 24 1HB GLU 24 9.978 2.296 -7.466 174 2HB GLU 24 2HB GLU 24 9.952 0.954 -6.340 175 1HG GLU 24 1HG GLU 24 11.889 1.828 -5.513 176 2HG GLU 24 2HG GLU 24 12.658 1.124 -6.922 177 H ILE 25 H ILE 25 10.916 -0.600 -5.941 178 HA ILE 25 HA ILE 25 10.496 -2.543 -4.985 179 HB ILE 25 HB ILE 25 8.468 -2.838 -7.202 180 1HG1 ILE 25 1HG1 ILE 25 8.158 -0.819 -5.838 181 2HG1 ILE 25 2HG1 ILE 25 6.863 -1.977 -5.606 182 1HG2 ILE 25 1HG2 ILE 25 7.772 -4.213 -4.778 183 2HG2 ILE 25 2HG2 ILE 25 7.950 -4.851 -6.430 184 3HG2 ILE 25 3HG2 ILE 25 9.362 -4.773 -5.349 185 1HD1 ILE 25 1HD1 ILE 25 8.640 -0.861 -3.628 186 2HD1 ILE 25 2HD1 ILE 25 7.273 -1.974 -3.383 187 3HD1 ILE 25 3HD1 ILE 25 8.902 -2.620 -3.692 188 H TYR 26 H TYR 26 12.831 -2.732 -5.971 189 HA TYR 26 HA TYR 26 13.609 -4.043 -8.123 190 1HB TYR 26 1HB TYR 26 14.313 -3.963 -5.216 191 2HB TYR 26 2HB TYR 26 14.933 -5.397 -6.010 192 HD1 TYR 26 HD1 TYR 26 15.091 -1.712 -5.891 193 HD2 TYR 26 HD2 TYR 26 16.718 -5.257 -7.649 194 HE1 TYR 26 HE1 TYR 26 17.059 -0.374 -6.785 195 HE2 TYR 26 HE2 TYR 26 18.681 -3.907 -8.537 196 HH TYR 26 HH TYR 26 19.775 -1.975 -8.327 197 H ASN 27 H ASN 27 13.248 -6.103 -5.177 198 HA ASN 27 HA ASN 27 13.034 -8.426 -6.569 199 1HB ASN 27 1HB ASN 27 12.202 -7.514 -3.810 200 2HB ASN 27 2HB ASN 27 11.624 -9.080 -4.343 201 1HD2 ASN 27 1HD2 ASN 27 12.842 -10.730 -3.866 202 2HD2 ASN 27 2HD2 ASN 27 14.558 -10.741 -3.629 203 H GLU 28 H GLU 28 11.519 -8.170 -8.360 204 HA GLU 28 HA GLU 28 9.181 -7.080 -8.544 205 1HB GLU 28 1HB GLU 28 8.442 -8.976 -10.017 206 2HB GLU 28 2HB GLU 28 10.080 -8.444 -10.341 207 1HG GLU 28 1HG GLU 28 10.712 -10.335 -8.555 208 2HG GLU 28 2HG GLU 28 9.141 -10.979 -8.990 209 H THR 29 H THR 29 8.007 -6.797 -6.594 210 HA THR 29 HA THR 29 6.199 -8.929 -5.985 211 HB THR 29 HB THR 29 8.150 -8.018 -3.809 212 HG1 THR 29 HG1 THR 29 9.375 -9.441 -5.022 213 1HG2 THR 29 1HG2 THR 29 7.273 -10.010 -2.618 214 2HG2 THR 29 2HG2 THR 29 5.931 -8.907 -3.006 215 3HG2 THR 29 3HG2 THR 29 6.193 -10.370 -3.986 216 H VAL 30 H VAL 30 4.562 -8.240 -4.335 217 HA VAL 30 HA VAL 30 3.263 -6.709 -3.356 218 HB VAL 30 HB VAL 30 4.042 -4.686 -2.701 219 1HG1 VAL 30 1HG1 VAL 30 6.815 -5.253 -3.468 220 2HG1 VAL 30 2HG1 VAL 30 6.068 -5.155 -1.855 221 3HG1 VAL 30 3HG1 VAL 30 5.973 -6.667 -2.790 222 1HG2 VAL 30 1HG2 VAL 30 4.217 -3.187 -4.363 223 2HG2 VAL 30 2HG2 VAL 30 5.942 -3.627 -4.402 224 3HG2 VAL 30 3HG2 VAL 30 4.799 -4.404 -5.524 225 H LYS 31 H LYS 31 4.519 -6.409 -6.635 226 HA LYS 31 HA LYS 31 2.681 -4.609 -7.673 227 1HB LYS 31 1HB LYS 31 4.765 -5.437 -8.775 228 2HB LYS 31 2HB LYS 31 3.970 -6.970 -9.073 229 1HG LYS 31 1HG LYS 31 2.070 -5.285 -10.082 230 2HG LYS 31 2HG LYS 31 3.494 -4.300 -10.353 231 1HD LYS 31 1HD LYS 31 4.396 -5.768 -11.909 232 2HD LYS 31 2HD LYS 31 3.736 -7.187 -11.122 233 1HE LYS 31 1HE LYS 31 1.952 -7.198 -12.525 234 2HE LYS 31 2HE LYS 31 1.532 -5.559 -12.068 235 1HZ LYS 31 1HZ LYS 31 3.567 -5.072 -13.635 236 2HZ LYS 31 2HZ LYS 31 3.088 -6.478 -14.314 237 3HZ LYS 31 3HZ LYS 31 2.046 -5.225 -14.211 238 H THR 32 H THR 32 2.359 -7.979 -6.661 239 HA THR 32 HA THR 32 -0.093 -8.393 -8.102 240 HB THR 32 HB THR 32 1.552 -10.213 -7.549 241 HG1 THR 32 HG1 THR 32 -0.393 -11.266 -7.604 242 1HG2 THR 32 1HG2 THR 32 2.171 -9.374 -5.228 243 2HG2 THR 32 2HG2 THR 32 0.532 -9.810 -4.689 244 3HG2 THR 32 3HG2 THR 32 1.652 -11.076 -5.246 245 H GLY 33 H GLY 33 0.847 -7.611 -4.709 246 1HA GLY 33 1HA GLY 33 -1.752 -7.712 -3.646 247 2HA GLY 33 2HA GLY 33 -0.377 -6.853 -2.983 248 H HIS 34 H HIS 34 -3.453 -6.535 -4.451 249 HA HIS 34 HA HIS 34 -2.885 -3.726 -5.068 250 1HB HIS 34 1HB HIS 34 -4.944 -3.884 -6.520 251 2HB HIS 34 2HB HIS 34 -3.530 -4.753 -7.083 252 HD1 HIS 34 HD1 HIS 34 -6.802 -5.457 -5.225 253 HD2 HIS 34 HD2 HIS 34 -3.971 -7.409 -7.627 254 HE1 HIS 34 HE1 HIS 34 -7.743 -7.783 -5.691 255 HE2 HIS 34 HE2 HIS 34 -5.985 -8.915 -7.217 256 H VAL 35 H VAL 35 -3.791 -5.485 -2.552 257 HA VAL 35 HA VAL 35 -4.933 -5.007 -0.713 258 HB VAL 35 HB VAL 35 -6.104 -2.541 -1.962 259 1HG1 VAL 35 1HG1 VAL 35 -5.132 -2.013 0.606 260 2HG1 VAL 35 2HG1 VAL 35 -6.825 -2.311 0.142 261 3HG1 VAL 35 3HG1 VAL 35 -5.808 -3.657 0.711 262 1HG2 VAL 35 1HG2 VAL 35 -4.061 -1.802 -2.511 263 2HG2 VAL 35 2HG2 VAL 35 -3.745 -1.694 -0.763 264 3HG2 VAL 35 3HG2 VAL 35 -3.258 -3.148 -1.667 265 H THR 36 H THR 36 -7.373 -4.603 0.035 266 HA THR 36 HA THR 36 -9.061 -5.951 -1.971 267 HB THR 36 HB THR 36 -10.198 -6.889 0.140 268 HG1 THR 36 HG1 THR 36 -9.420 -5.672 1.845 269 1HG2 THR 36 1HG2 THR 36 -7.204 -7.503 0.006 270 2HG2 THR 36 2HG2 THR 36 -8.497 -8.575 0.595 271 3HG2 THR 36 3HG2 THR 36 -8.384 -8.185 -1.138 272 H HIS 37 H HIS 37 -8.590 -3.178 0.093 273 HA HIS 37 HA HIS 37 -10.889 -1.968 -1.063 274 1HB HIS 37 1HB HIS 37 -10.998 -3.025 1.714 275 2HB HIS 37 2HB HIS 37 -11.612 -1.401 1.478 276 HD1 HIS 37 HD1 HIS 37 -13.470 -1.228 -0.609 277 HD2 HIS 37 HD2 HIS 37 -12.836 -4.975 1.168 278 HE1 HIS 37 HE1 HIS 37 -15.500 -2.655 -1.204 279 HE2 HIS 37 HE2 HIS 37 -15.027 -4.962 -0.131 280 H VAL 38 H VAL 38 -8.313 -1.936 1.458 281 HA VAL 38 HA VAL 38 -6.945 -0.344 2.152 282 HB VAL 38 HB VAL 38 -6.758 -0.449 -0.545 283 1HG1 VAL 38 1HG1 VAL 38 -7.498 2.398 0.170 284 2HG1 VAL 38 2HG1 VAL 38 -6.537 1.988 -1.271 285 3HG1 VAL 38 3HG1 VAL 38 -8.192 1.356 -1.094 286 1HG2 VAL 38 1HG2 VAL 38 -4.943 1.585 0.255 287 2HG2 VAL 38 2HG2 VAL 38 -5.194 0.522 1.660 288 3HG2 VAL 38 3HG2 VAL 38 -4.648 -0.165 0.112 289 H LYS 39 H LYS 39 -7.365 1.177 3.666 290 HA LYS 39 HA LYS 39 -9.719 2.849 3.229 291 1HB LYS 39 1HB LYS 39 -9.721 3.166 5.631 292 2HB LYS 39 2HB LYS 39 -9.672 1.456 5.252 293 1HG LYS 39 1HG LYS 39 -7.645 1.181 6.259 294 2HG LYS 39 2HG LYS 39 -6.962 2.580 5.453 295 1HD LYS 39 1HD LYS 39 -8.673 2.590 7.981 296 2HD LYS 39 2HD LYS 39 -6.966 2.972 7.872 297 1HE LYS 39 1HE LYS 39 -7.475 5.141 7.454 298 2HE LYS 39 2HE LYS 39 -8.300 4.668 5.982 299 1HZ LYS 39 1HZ LYS 39 -10.267 4.861 6.968 300 2HZ LYS 39 2HZ LYS 39 -9.792 4.168 8.368 301 3HZ LYS 39 3HZ LYS 39 -9.492 5.750 8.098 302 H LEU 40 H LEU 40 -9.591 5.039 2.955 303 HA LEU 40 HA LEU 40 -6.888 6.174 3.156 304 1HB LEU 40 1HB LEU 40 -8.883 6.196 1.028 305 2HB LEU 40 2HB LEU 40 -8.352 7.808 1.466 306 HG LEU 40 HG LEU 40 -7.087 6.747 -0.413 307 1HD1 LEU 40 1HD1 LEU 40 -6.103 8.607 0.729 308 2HD1 LEU 40 2HD1 LEU 40 -5.550 7.567 2.064 309 3HD1 LEU 40 3HD1 LEU 40 -4.831 7.394 0.445 310 1HD2 LEU 40 1HD2 LEU 40 -6.065 4.909 1.769 311 2HD2 LEU 40 2HD2 LEU 40 -7.034 4.452 0.347 312 3HD2 LEU 40 3HD2 LEU 40 -5.372 5.054 0.136 313 H SER 41 H SER 41 -6.628 7.641 4.744 314 HA SER 41 HA SER 41 -8.752 9.467 5.279 315 1HB SER 41 1HB SER 41 -8.462 7.106 6.909 316 2HB SER 41 2HB SER 41 -7.984 8.487 7.876 317 HG SER 41 HG SER 41 -10.357 7.867 7.824 318 H ASP 42 H ASP 42 -7.999 11.182 6.905 319 HA ASP 42 HA ASP 42 -6.484 12.448 7.859 320 1HB ASP 42 1HB ASP 42 -5.205 10.119 8.186 321 2HB ASP 42 2HB ASP 42 -4.153 10.754 6.937 322 H ASP 43 H ASP 43 -6.985 11.740 4.718 323 HA ASP 43 HA ASP 43 -6.726 13.005 2.935 324 1HB ASP 43 1HB ASP 43 -5.776 14.783 4.741 325 2HB ASP 43 2HB ASP 43 -4.264 14.427 3.930 326 H LEU 44 H LEU 44 -5.508 10.437 3.426 327 HA LEU 44 HA LEU 44 -4.211 9.110 2.150 328 1HB LEU 44 1HB LEU 44 -2.475 11.413 1.317 329 2HB LEU 44 2HB LEU 44 -2.715 9.869 0.523 330 HG LEU 44 HG LEU 44 -5.205 11.382 0.733 331 1HD1 LEU 44 1HD1 LEU 44 -2.793 12.831 -0.080 332 2HD1 LEU 44 2HD1 LEU 44 -4.078 12.841 -1.312 333 3HD1 LEU 44 3HD1 LEU 44 -4.417 13.433 0.332 334 1HD2 LEU 44 1HD2 LEU 44 -5.416 10.796 -1.592 335 2HD2 LEU 44 2HD2 LEU 44 -3.693 10.358 -1.684 336 3HD2 LEU 44 3HD2 LEU 44 -4.807 9.386 -0.691 337 H LEU 45 H LEU 45 -2.951 11.664 4.271 338 HA LEU 45 HA LEU 45 -0.454 10.774 4.834 339 1HB LEU 45 1HB LEU 45 -2.516 11.848 6.765 340 2HB LEU 45 2HB LEU 45 -0.794 11.750 7.075 341 HG LEU 45 HG LEU 45 -2.211 13.490 5.048 342 1HD1 LEU 45 1HD1 LEU 45 -2.133 14.207 7.453 343 2HD1 LEU 45 2HD1 LEU 45 -0.359 14.270 7.311 344 3HD1 LEU 45 3HD1 LEU 45 -1.371 15.334 6.305 345 1HD2 LEU 45 1HD2 LEU 45 0.591 12.540 5.089 346 2HD2 LEU 45 2HD2 LEU 45 -0.409 13.137 3.743 347 3HD2 LEU 45 3HD2 LEU 45 0.365 14.290 4.856 348 H HIS 46 H HIS 46 -3.521 9.186 5.483 349 HA HIS 46 HA HIS 46 -2.008 7.080 6.840 350 1HB HIS 46 1HB HIS 46 -4.702 8.236 7.565 351 2HB HIS 46 2HB HIS 46 -4.218 6.630 8.073 352 HD1 HIS 46 HD1 HIS 46 -3.445 6.695 10.437 353 HD2 HIS 46 HD2 HIS 46 -2.274 10.118 8.315 354 HE1 HIS 46 HE1 HIS 46 -2.100 8.123 12.069 355 HE2 HIS 46 HE2 HIS 46 -1.362 10.186 10.693 356 H VAL 47 H VAL 47 -1.826 5.495 5.323 357 HA VAL 47 HA VAL 47 -4.307 4.754 3.938 358 HB VAL 47 HB VAL 47 -1.545 5.216 2.863 359 1HG1 VAL 47 1HG1 VAL 47 -3.567 3.208 1.874 360 2HG1 VAL 47 2HG1 VAL 47 -2.457 4.022 0.745 361 3HG1 VAL 47 3HG1 VAL 47 -1.807 3.033 2.075 362 1HG2 VAL 47 1HG2 VAL 47 -3.167 7.020 2.639 363 2HG2 VAL 47 2HG2 VAL 47 -2.810 6.319 1.042 364 3HG2 VAL 47 3HG2 VAL 47 -4.331 5.912 1.872 365 H THR 48 H THR 48 -4.931 2.864 4.858 366 HA THR 48 HA THR 48 -2.815 0.989 5.649 367 HB THR 48 HB THR 48 -5.707 1.473 6.487 368 HG1 THR 48 HG1 THR 48 -3.870 2.620 7.486 369 1HG2 THR 48 1HG2 THR 48 -3.941 -0.971 6.882 370 2HG2 THR 48 2HG2 THR 48 -5.049 -0.456 8.176 371 3HG2 THR 48 3HG2 THR 48 -5.693 -0.904 6.578 372 H VAL 49 H VAL 49 -2.226 -0.233 3.935 373 HA VAL 49 HA VAL 49 -4.320 -1.170 2.152 374 HB VAL 49 HB VAL 49 -2.486 -1.925 0.767 375 1HG1 VAL 49 1HG1 VAL 49 -1.217 0.588 1.163 376 2HG1 VAL 49 2HG1 VAL 49 -2.464 0.156 -0.031 377 3HG1 VAL 49 3HG1 VAL 49 -2.939 0.797 1.561 378 1HG2 VAL 49 1HG2 VAL 49 -0.119 -1.431 1.447 379 2HG2 VAL 49 2HG2 VAL 49 -0.719 -1.089 3.088 380 3HG2 VAL 49 3HG2 VAL 49 -0.905 -2.717 2.393 381 H TYR 50 H TYR 50 -5.380 -3.025 2.593 382 HA TYR 50 HA TYR 50 -4.522 -4.758 4.649 383 1HB TYR 50 1HB TYR 50 -6.533 -4.848 2.322 384 2HB TYR 50 2HB TYR 50 -6.442 -6.146 3.495 385 HD1 TYR 50 HD1 TYR 50 -5.965 -2.598 4.424 386 HD2 TYR 50 HD2 TYR 50 -8.701 -5.885 4.304 387 HE1 TYR 50 HE1 TYR 50 -7.559 -1.336 5.950 388 HE2 TYR 50 HE2 TYR 50 -10.286 -4.612 5.830 389 HH TYR 50 HH TYR 50 -9.844 -1.282 6.512 390 H LEU 51 H LEU 51 -4.294 -4.823 1.058 391 HA LEU 51 HA LEU 51 -3.179 -6.131 -0.327 392 1HB LEU 51 1HB LEU 51 -1.481 -6.479 2.137 393 2HB LEU 51 2HB LEU 51 -1.067 -7.219 0.603 394 HG LEU 51 HG LEU 51 -1.307 -4.257 1.187 395 1HD1 LEU 51 1HD1 LEU 51 1.091 -5.938 0.409 396 2HD1 LEU 51 2HD1 LEU 51 1.079 -4.187 0.726 397 3HD1 LEU 51 3HD1 LEU 51 0.731 -5.332 2.043 398 1HD2 LEU 51 1HD2 LEU 51 -0.553 -3.910 -1.146 399 2HD2 LEU 51 2HD2 LEU 51 -0.763 -5.651 -1.448 400 3HD2 LEU 51 3HD2 LEU 51 -2.171 -4.643 -1.035 401 H ASP 52 H ASP 52 -4.112 -7.895 -1.194 402 HA ASP 52 HA ASP 52 -4.480 -10.155 0.608 403 1HB ASP 52 1HB ASP 52 -6.705 -9.523 0.298 404 2HB ASP 52 2HB ASP 52 -6.395 -8.802 -1.269 405 H CYS 53 H CYS 53 -2.796 -8.921 -1.962 406 HA CYS 53 HA CYS 53 -1.943 -9.678 -3.868 407 1HB CYS 53 1HB CYS 53 -0.460 -10.709 -2.268 408 2HB CYS 53 2HB CYS 53 -1.547 -12.064 -2.038 409 HG CYS 53 HG CYS 53 0.840 -12.081 -3.742 410 H TYR 54 H TYR 54 -2.606 -13.064 -3.325 411 HA TYR 54 HA TYR 54 -4.660 -12.954 -5.419 412 1HB TYR 54 1HB TYR 54 -2.350 -14.680 -4.586 413 2HB TYR 54 2HB TYR 54 -3.779 -15.603 -5.005 414 HD1 TYR 54 HD1 TYR 54 -2.664 -12.397 -6.554 415 HD2 TYR 54 HD2 TYR 54 -3.111 -16.626 -7.027 416 HE1 TYR 54 HE1 TYR 54 -2.080 -12.190 -9.020 417 HE2 TYR 54 HE2 TYR 54 -2.526 -16.405 -9.491 418 HH TYR 54 HH TYR 54 -2.245 -15.003 -11.153 419 H ASN 55 H ASN 55 -3.752 -14.717 -2.373 420 HA ASN 55 HA ASN 55 -6.504 -14.651 -1.611 421 1HB ASN 55 1HB ASN 55 -5.322 -17.039 -2.817 422 2HB ASN 55 2HB ASN 55 -5.735 -17.376 -1.147 423 1HD2 ASN 55 1HD2 ASN 55 -7.306 -18.828 -1.987 424 2HD2 ASN 55 2HD2 ASN 55 -8.856 -18.271 -2.523 425 H ARG 56 H ARG 56 -3.703 -13.718 -0.797 426 HA ARG 56 HA ARG 56 -2.728 -13.309 1.105 427 1HB ARG 56 1HB ARG 56 -5.071 -13.820 2.145 428 2HB ARG 56 2HB ARG 56 -4.418 -15.396 2.550 429 1HG ARG 56 1HG ARG 56 -3.649 -14.416 4.457 430 2HG ARG 56 2HG ARG 56 -2.402 -13.707 3.449 431 1HD ARG 56 1HD ARG 56 -3.252 -11.619 3.749 432 2HD ARG 56 2HD ARG 56 -4.840 -12.129 3.213 433 HE ARG 56 HE ARG 56 -5.488 -12.097 5.445 434 1HH1 ARG 56 1HH1 ARG 56 -2.054 -12.855 5.307 435 2HH1 ARG 56 2HH1 ARG 56 -1.877 -12.955 7.027 436 1HH2 ARG 56 1HH2 ARG 56 -5.254 -12.228 7.715 437 2HH2 ARG 56 2HH2 ARG 56 -3.709 -12.596 8.406 438 H GLU 57 H GLU 57 -2.755 -16.140 -0.601 439 HA GLU 57 HA GLU 57 -1.167 -17.719 1.166 440 1HB GLU 57 1HB GLU 57 -1.809 -18.094 -1.793 441 2HB GLU 57 2HB GLU 57 -1.060 -19.295 -0.761 442 1HG GLU 57 1HG GLU 57 -3.256 -18.741 0.756 443 2HG GLU 57 2HG GLU 57 -3.908 -18.351 -0.823 444 H GLN 58 H GLN 58 -0.641 -15.089 -0.989 445 HA GLN 58 HA GLN 58 2.178 -15.827 -1.154 446 1HB GLN 58 1HB GLN 58 0.323 -14.973 -3.213 447 2HB GLN 58 2HB GLN 58 1.598 -13.779 -3.064 448 1HG GLN 58 1HG GLN 58 3.323 -15.546 -3.308 449 2HG GLN 58 2HG GLN 58 2.081 -16.781 -3.366 450 1HE2 GLN 58 1HE2 GLN 58 1.688 -17.501 -5.302 451 2HE2 GLN 58 2HE2 GLN 58 1.723 -16.614 -6.789 452 H ILE 59 H ILE 59 -0.121 -13.826 0.320 453 HA ILE 59 HA ILE 59 0.860 -11.307 0.313 454 HB ILE 59 HB ILE 59 -1.003 -12.728 1.735 455 1HG1 ILE 59 1HG1 ILE 59 -1.621 -10.513 2.684 456 2HG1 ILE 59 2HG1 ILE 59 -0.096 -9.859 2.120 457 1HG2 ILE 59 1HG2 ILE 59 0.488 -13.405 3.476 458 2HG2 ILE 59 2HG2 ILE 59 1.117 -11.750 3.663 459 3HG2 ILE 59 3HG2 ILE 59 -0.562 -12.122 4.124 460 1HD1 ILE 59 1HD1 ILE 59 -2.511 -10.073 0.652 461 2HD1 ILE 59 2HD1 ILE 59 -0.918 -9.582 0.028 462 3HD1 ILE 59 3HD1 ILE 59 -1.417 -11.289 -0.051 463 H ASP 60 H ASP 60 1.992 -14.035 2.422 464 HA ASP 60 HA ASP 60 3.775 -12.869 3.943 465 1HB ASP 60 1HB ASP 60 4.214 -15.381 2.264 466 2HB ASP 60 2HB ASP 60 5.254 -14.929 3.600 467 H ARG 61 H ARG 61 4.084 -13.500 0.412 468 HA ARG 61 HA ARG 61 6.772 -12.564 0.365 469 1HB ARG 61 1HB ARG 61 4.867 -13.098 -1.970 470 2HB ARG 61 2HB ARG 61 6.610 -12.947 -2.079 471 1HG ARG 61 1HG ARG 61 5.417 -15.024 -0.224 472 2HG ARG 61 2HG ARG 61 5.483 -15.350 -1.944 473 1HD ARG 61 1HD ARG 61 8.012 -14.292 -0.733 474 2HD ARG 61 2HD ARG 61 7.541 -15.901 -0.220 475 HE ARG 61 HE ARG 61 8.547 -15.161 -2.832 476 1HH1 ARG 61 1HH1 ARG 61 6.341 -17.379 -1.221 477 2HH1 ARG 61 2HH1 ARG 61 6.449 -18.586 -2.459 478 1HH2 ARG 61 1HH2 ARG 61 8.689 -16.753 -4.465 479 2HH2 ARG 61 2HH2 ARG 61 7.793 -18.228 -4.316 480 H VAL 62 H VAL 62 3.483 -11.402 -0.558 481 HA VAL 62 HA VAL 62 4.347 -9.034 -1.801 482 HB VAL 62 HB VAL 62 1.712 -9.453 -0.402 483 1HG1 VAL 62 1HG1 VAL 62 2.545 -7.272 -1.673 484 2HG1 VAL 62 2HG1 VAL 62 2.028 -8.200 -3.101 485 3HG1 VAL 62 3HG1 VAL 62 0.865 -7.845 -1.802 486 1HG2 VAL 62 1HG2 VAL 62 1.430 -11.337 -1.585 487 2HG2 VAL 62 2HG2 VAL 62 1.325 -10.286 -3.018 488 3HG2 VAL 62 3HG2 VAL 62 2.879 -11.033 -2.574 489 H VAL 63 H VAL 63 2.819 -9.536 1.466 490 HA VAL 63 HA VAL 63 3.298 -6.972 2.376 491 HB VAL 63 HB VAL 63 3.008 -9.625 3.785 492 1HG1 VAL 63 1HG1 VAL 63 3.495 -6.889 4.894 493 2HG1 VAL 63 2HG1 VAL 63 2.318 -7.935 5.725 494 3HG1 VAL 63 3HG1 VAL 63 3.998 -8.482 5.509 495 1HG2 VAL 63 1HG2 VAL 63 1.153 -8.292 2.358 496 2HG2 VAL 63 2HG2 VAL 63 0.764 -9.250 3.807 497 3HG2 VAL 63 3HG2 VAL 63 0.945 -7.484 3.930 498 H GLY 64 H GLY 64 5.393 -9.878 2.294 499 1HA GLY 64 1HA GLY 64 7.420 -8.966 3.995 500 2HA GLY 64 2HA GLY 64 7.583 -10.151 2.714 501 H ALA 65 H ALA 65 6.805 -8.472 0.469 502 HA ALA 65 HA ALA 65 9.308 -7.137 0.092 503 1HB ALA 65 1HB ALA 65 8.605 -8.179 -1.849 504 2HB ALA 65 2HB ALA 65 6.886 -7.834 -1.541 505 3HB ALA 65 3HB ALA 65 7.962 -6.544 -2.131 506 H PHE 66 H PHE 66 5.863 -6.237 0.613 507 HA PHE 66 HA PHE 66 6.064 -3.546 0.063 508 1HB PHE 66 1HB PHE 66 4.383 -5.462 1.619 509 2HB PHE 66 2HB PHE 66 4.319 -3.838 2.274 510 HD1 PHE 66 HD1 PHE 66 3.352 -5.993 -0.481 511 HD2 PHE 66 HD2 PHE 66 3.444 -1.980 0.898 512 HE1 PHE 66 HE1 PHE 66 1.666 -5.354 -2.227 513 HE2 PHE 66 HE2 PHE 66 1.758 -1.342 -0.848 514 HZ PHE 66 HZ PHE 66 0.889 -3.036 -2.390 515 H ASN 67 H ASN 67 7.333 -5.410 2.772 516 HA ASN 67 HA ASN 67 7.463 -3.270 4.576 517 1HB ASN 67 1HB ASN 67 7.656 -5.814 5.058 518 2HB ASN 67 2HB ASN 67 9.311 -5.705 4.495 519 1HD2 ASN 67 1HD2 ASN 67 7.538 -5.848 7.159 520 2HD2 ASN 67 2HD2 ASN 67 8.475 -4.924 8.285 521 H GLN 68 H GLN 68 9.778 -4.855 2.270 522 HA GLN 68 HA GLN 68 11.886 -3.099 2.943 523 1HB GLN 68 1HB GLN 68 13.116 -4.223 1.176 524 2HB GLN 68 2HB GLN 68 12.202 -5.428 2.061 525 1HG GLN 68 1HG GLN 68 10.851 -5.918 0.268 526 2HG GLN 68 2HG GLN 68 10.709 -4.239 -0.216 527 1HE2 GLN 68 1HE2 GLN 68 11.085 -4.554 -2.350 528 2HE2 GLN 68 2HE2 GLN 68 12.608 -5.030 -3.023 529 H ALA 69 H ALA 69 9.014 -2.709 1.165 530 HA ALA 69 HA ALA 69 10.121 -0.956 -0.840 531 1HB ALA 69 1HB ALA 69 8.270 -2.188 -1.597 532 2HB ALA 69 2HB ALA 69 7.375 -1.964 -0.075 533 3HB ALA 69 3HB ALA 69 7.560 -0.603 -1.207 534 H LYS 70 H LYS 70 7.381 -0.387 1.460 535 HA LYS 70 HA LYS 70 6.727 1.617 2.273 536 1HB LYS 70 1HB LYS 70 9.079 0.535 3.659 537 2HB LYS 70 2HB LYS 70 8.821 2.240 3.969 538 1HG LYS 70 1HG LYS 70 7.406 1.376 5.587 539 2HG LYS 70 2HG LYS 70 6.267 1.452 4.258 540 1HD LYS 70 1HD LYS 70 6.313 -0.863 3.890 541 2HD LYS 70 2HD LYS 70 7.938 -1.043 4.521 542 1HE LYS 70 1HE LYS 70 5.842 -0.108 6.462 543 2HE LYS 70 2HE LYS 70 5.722 -1.771 5.922 544 1HZ LYS 70 1HZ LYS 70 7.536 -2.313 7.055 545 2HZ LYS 70 2HZ LYS 70 8.374 -0.981 6.618 546 3HZ LYS 70 3HZ LYS 70 7.328 -0.913 7.871 547 H GLY 71 H GLY 71 10.134 2.595 2.570 548 1HA GLY 71 1HA GLY 71 10.168 5.094 1.944 549 2HA GLY 71 2HA GLY 71 11.338 4.027 1.193 550 H VAL 72 H VAL 72 9.974 2.621 -0.722 551 HA VAL 72 HA VAL 72 9.741 4.444 -2.791 552 HB VAL 72 HB VAL 72 8.593 2.469 -3.937 553 1HG1 VAL 72 1HG1 VAL 72 10.696 1.196 -4.071 554 2HG1 VAL 72 2HG1 VAL 72 10.985 2.951 -4.149 555 3HG1 VAL 72 3HG1 VAL 72 11.310 2.062 -2.642 556 1HG2 VAL 72 1HG2 VAL 72 9.400 0.391 -2.263 557 2HG2 VAL 72 2HG2 VAL 72 8.593 1.541 -1.171 558 3HG2 VAL 72 3HG2 VAL 72 7.728 0.905 -2.590 559 H PHE 73 H PHE 73 7.046 2.512 -1.288 560 HA PHE 73 HA PHE 73 4.975 3.783 -2.487 561 1HB PHE 73 1HB PHE 73 5.189 2.945 0.466 562 2HB PHE 73 2HB PHE 73 3.711 2.986 -0.475 563 HD1 PHE 73 HD1 PHE 73 5.053 1.765 -3.014 564 HD2 PHE 73 HD2 PHE 73 4.977 0.633 1.076 565 HE1 PHE 73 HE1 PHE 73 5.404 -0.632 -3.670 566 HE2 PHE 73 HE2 PHE 73 5.329 -1.764 0.419 567 HZ PHE 73 HZ PHE 73 5.538 -2.368 -1.946 568 H SER 74 H SER 74 6.578 4.720 0.634 569 HA SER 74 HA SER 74 4.922 6.872 1.123 570 1HB SER 74 1HB SER 74 6.738 7.633 2.659 571 2HB SER 74 2HB SER 74 6.368 5.930 2.850 572 HG SER 74 HG SER 74 8.735 7.144 2.060 573 H ARG 75 H ARG 75 7.560 6.406 -1.148 574 HA ARG 75 HA ARG 75 8.275 9.101 -1.382 575 1HB ARG 75 1HB ARG 75 9.251 6.672 -2.338 576 2HB ARG 75 2HB ARG 75 8.618 7.400 -3.801 577 1HG ARG 75 1HG ARG 75 10.041 9.314 -3.614 578 2HG ARG 75 2HG ARG 75 10.378 9.012 -1.921 579 1HD ARG 75 1HD ARG 75 12.345 8.178 -2.839 580 2HD ARG 75 2HD ARG 75 11.386 6.711 -2.868 581 HE ARG 75 HE ARG 75 11.294 6.829 -5.210 582 1HH1 ARG 75 1HH1 ARG 75 12.390 9.916 -3.923 583 2HH1 ARG 75 2HH1 ARG 75 12.801 10.563 -5.477 584 1HH2 ARG 75 1HH2 ARG 75 11.837 7.682 -7.260 585 2HH2 ARG 75 2HH2 ARG 75 12.484 9.284 -7.387 586 H VAL 76 H VAL 76 5.865 6.958 -2.948 587 HA VAL 76 HA VAL 76 5.220 8.503 -5.139 588 HB VAL 76 HB VAL 76 3.451 6.766 -3.404 589 1HG1 VAL 76 1HG1 VAL 76 2.057 6.508 -5.418 590 2HG1 VAL 76 2HG1 VAL 76 2.125 8.203 -4.878 591 3HG1 VAL 76 3HG1 VAL 76 3.088 7.676 -6.280 592 1HG2 VAL 76 1HG2 VAL 76 3.958 5.066 -5.238 593 2HG2 VAL 76 2HG2 VAL 76 5.278 6.150 -5.738 594 3HG2 VAL 76 3HG2 VAL 76 5.282 5.436 -4.108 595 H LEU 77 H LEU 77 3.542 8.459 -1.908 596 HA LEU 77 HA LEU 77 1.970 10.695 -2.476 597 1HB LEU 77 1HB LEU 77 2.814 9.929 0.297 598 2HB LEU 77 2HB LEU 77 1.284 10.582 -0.257 599 HG LEU 77 HG LEU 77 1.487 8.153 -1.610 600 1HD1 LEU 77 1HD1 LEU 77 2.458 7.799 1.239 601 2HD1 LEU 77 2HD1 LEU 77 1.946 6.492 0.144 602 3HD1 LEU 77 3HD1 LEU 77 3.381 7.470 -0.248 603 1HD2 LEU 77 1HD2 LEU 77 0.013 7.961 0.899 604 2HD2 LEU 77 2HD2 LEU 77 -0.304 9.483 0.032 605 3HD2 LEU 77 3HD2 LEU 77 -0.568 7.922 -0.783 606 H ALA 78 H ALA 78 5.318 10.314 -1.376 607 HA ALA 78 HA ALA 78 5.786 12.723 -0.180 608 1HB ALA 78 1HB ALA 78 8.048 12.260 -0.562 609 2HB ALA 78 2HB ALA 78 7.306 10.647 -0.691 610 3HB ALA 78 3HB ALA 78 7.736 11.549 -2.164 611 H HIS 79 H HIS 79 5.647 11.935 -3.704 612 HA HIS 79 HA HIS 79 6.537 14.217 -4.791 613 1HB HIS 79 1HB HIS 79 5.280 12.012 -5.716 614 2HB HIS 79 2HB HIS 79 3.990 13.180 -5.924 615 HD1 HIS 79 HD1 HIS 79 7.373 12.227 -7.238 616 HD2 HIS 79 HD2 HIS 79 4.490 15.209 -7.863 617 HE1 HIS 79 HE1 HIS 79 8.028 13.412 -9.401 618 HE2 HIS 79 HE2 HIS 79 6.190 15.197 -9.761 619 H ASN 80 H ASN 80 3.592 13.762 -2.882 620 HA ASN 80 HA ASN 80 2.771 16.456 -3.579 621 1HB ASN 80 1HB ASN 80 1.397 14.059 -2.320 622 2HB ASN 80 2HB ASN 80 0.751 15.658 -2.007 623 1HD2 ASN 80 1HD2 ASN 80 0.272 13.084 -3.811 624 2HD2 ASN 80 2HD2 ASN 80 -0.317 13.754 -5.295 625 H LEU 81 H LEU 81 2.260 14.540 -0.546 626 HA LEU 81 HA LEU 81 3.257 16.809 0.977 627 1HB LEU 81 1HB LEU 81 1.690 14.344 1.733 628 2HB LEU 81 2HB LEU 81 2.284 15.511 2.897 629 HG LEU 81 HG LEU 81 0.635 16.558 0.642 630 1HD1 LEU 81 1HD1 LEU 81 -0.309 14.331 1.936 631 2HD1 LEU 81 2HD1 LEU 81 -0.999 15.655 2.905 632 3HD1 LEU 81 3HD1 LEU 81 -1.309 15.579 1.154 633 1HD2 LEU 81 1HD2 LEU 81 -0.169 17.508 3.193 634 2HD2 LEU 81 2HD2 LEU 81 1.611 17.474 3.169 635 3HD2 LEU 81 3HD2 LEU 81 0.721 18.370 1.914 636 H TYR 82 H TYR 82 5.255 16.856 1.862 637 HA TYR 82 HA TYR 82 6.631 14.271 2.143 638 1HB TYR 82 1HB TYR 82 7.216 16.099 0.245 639 2HB TYR 82 2HB TYR 82 7.941 16.977 1.577 640 HD1 TYR 82 HD1 TYR 82 9.785 15.811 2.936 641 HD2 TYR 82 HD2 TYR 82 8.392 14.361 -0.841 642 HE1 TYR 82 HE1 TYR 82 11.916 14.452 2.663 643 HE2 TYR 82 HE2 TYR 82 10.529 13.007 -1.100 644 HH TYR 82 HH TYR 82 13.234 13.516 0.865 645 H LEU 83 H LEU 83 6.416 13.967 4.355 646 HA LEU 83 HA LEU 83 8.030 15.628 5.999 647 1HB LEU 83 1HB LEU 83 6.180 17.110 5.997 648 2HB LEU 83 2HB LEU 83 5.033 15.808 6.242 649 HG LEU 83 HG LEU 83 7.118 16.271 8.341 650 1HD1 LEU 83 1HD1 LEU 83 4.584 17.866 8.477 651 2HD1 LEU 83 2HD1 LEU 83 6.149 18.129 9.284 652 3HD1 LEU 83 3HD1 LEU 83 5.969 18.494 7.552 653 1HD2 LEU 83 1HD2 LEU 83 5.563 15.315 9.802 654 2HD2 LEU 83 2HD2 LEU 83 4.195 15.632 8.708 655 3HD2 LEU 83 3HD2 LEU 83 5.388 14.375 8.301 656 H ALA 84 H ALA 84 8.250 14.696 8.194 657 HA ALA 84 HA ALA 84 8.538 11.977 8.148 658 1HB ALA 84 1HB ALA 84 8.089 13.877 10.483 659 2HB ALA 84 2HB ALA 84 8.680 12.206 10.644 660 3HB ALA 84 3HB ALA 84 9.649 13.411 9.764 661 H LYS 85 H LYS 85 6.117 13.526 10.349 662 HA LYS 85 HA LYS 85 4.480 11.166 10.106 663 1HB LYS 85 1HB LYS 85 4.077 13.686 11.745 664 2HB LYS 85 2HB LYS 85 3.156 12.202 11.887 665 1HG LYS 85 1HG LYS 85 6.177 12.401 12.303 666 2HG LYS 85 2HG LYS 85 4.999 12.412 13.600 667 1HD LYS 85 1HD LYS 85 4.254 10.156 12.126 668 2HD LYS 85 2HD LYS 85 6.001 10.138 11.989 669 1HE LYS 85 1HE LYS 85 6.055 9.199 14.058 670 2HE LYS 85 2HE LYS 85 5.577 10.759 14.697 671 1HZ LYS 85 1HZ LYS 85 3.838 9.590 15.415 672 2HZ LYS 85 2HZ LYS 85 3.245 9.792 13.907 673 3HZ LYS 85 3HZ LYS 85 3.997 8.399 14.308 674 H ALA 86 H ALA 86 4.207 11.560 7.700 675 HA ALA 86 HA ALA 86 1.652 12.726 7.290 676 1HB ALA 86 1HB ALA 86 4.038 14.094 5.984 677 2HB ALA 86 2HB ALA 86 2.321 14.478 5.718 678 3HB ALA 86 3HB ALA 86 3.065 14.778 7.307 679 H VAL 87 H VAL 87 1.414 10.440 6.718 680 HA VAL 87 HA VAL 87 1.003 9.023 5.027 681 HB VAL 87 HB VAL 87 1.679 11.237 3.604 682 1HG1 VAL 87 1HG1 VAL 87 3.445 9.179 2.329 683 2HG1 VAL 87 2HG1 VAL 87 3.478 10.954 2.198 684 3HG1 VAL 87 3HG1 VAL 87 4.095 10.158 3.666 685 1HG2 VAL 87 1HG2 VAL 87 -0.089 9.685 3.013 686 2HG2 VAL 87 2HG2 VAL 87 0.965 9.947 1.603 687 3HG2 VAL 87 3HG2 VAL 87 1.104 8.447 2.551 688 H GLN 88 H GLN 88 2.326 7.269 3.762 689 HA GLN 88 HA GLN 88 4.913 6.828 3.904 690 1HB GLN 88 1HB GLN 88 3.858 6.816 6.644 691 2HB GLN 88 2HB GLN 88 4.634 5.294 6.251 692 1HG GLN 88 1HG GLN 88 6.381 7.217 5.172 693 2HG GLN 88 2HG GLN 88 5.839 7.953 6.667 694 1HE2 GLN 88 1HE2 GLN 88 8.302 7.541 6.835 695 2HE2 GLN 88 2HE2 GLN 88 8.777 6.105 7.679 696 H ILE 89 H ILE 89 1.633 5.671 4.367 697 HA ILE 89 HA ILE 89 0.567 3.905 3.576 698 HB ILE 89 HB ILE 89 3.026 3.906 1.935 699 1HG1 ILE 89 1HG1 ILE 89 0.105 3.632 1.177 700 2HG1 ILE 89 2HG1 ILE 89 0.902 5.171 1.437 701 1HG2 ILE 89 1HG2 ILE 89 2.350 1.789 0.798 702 2HG2 ILE 89 2HG2 ILE 89 2.992 1.564 2.443 703 3HG2 ILE 89 3HG2 ILE 89 1.239 1.471 2.151 704 1HD1 ILE 89 1HD1 ILE 89 2.579 4.603 -0.330 705 2HD1 ILE 89 2HD1 ILE 89 1.734 3.061 -0.608 706 3HD1 ILE 89 3HD1 ILE 89 0.915 4.601 -0.961 707 H HIS 90 H HIS 90 -0.005 2.339 4.975 708 HA HIS 90 HA HIS 90 2.154 0.643 5.987 709 1HB HIS 90 1HB HIS 90 1.182 2.478 7.581 710 2HB HIS 90 2HB HIS 90 -0.192 1.398 7.710 711 HD1 HIS 90 HD1 HIS 90 2.493 2.190 9.688 712 HD2 HIS 90 HD2 HIS 90 1.223 -1.481 8.105 713 HE1 HIS 90 HE1 HIS 90 3.514 0.380 11.170 714 HE2 HIS 90 HE2 HIS 90 2.654 -1.851 10.181 715 H PHE 91 H PHE 91 1.640 -1.571 6.230 716 HA PHE 91 HA PHE 91 -0.714 -2.347 4.724 717 1HB PHE 91 1HB PHE 91 0.507 -4.402 4.470 718 2HB PHE 91 2HB PHE 91 1.783 -3.203 4.527 719 HD1 PHE 91 HD1 PHE 91 -0.127 -5.514 6.736 720 HD2 PHE 91 HD2 PHE 91 3.510 -3.434 6.064 721 HE1 PHE 91 HE1 PHE 91 0.920 -6.720 8.672 722 HE2 PHE 91 HE2 PHE 91 4.557 -4.640 8.001 723 HZ PHE 91 HZ PHE 91 3.250 -6.269 9.281 724 H VAL 92 H VAL 92 -2.154 -4.084 5.508 725 HA VAL 92 HA VAL 92 -2.068 -4.684 8.319 726 HB VAL 92 HB VAL 92 -4.215 -2.929 7.121 727 1HG1 VAL 92 1HG1 VAL 92 -5.373 -3.148 9.318 728 2HG1 VAL 92 2HG1 VAL 92 -5.341 -4.661 8.381 729 3HG1 VAL 92 3HG1 VAL 92 -4.230 -4.441 9.755 730 1HG2 VAL 92 1HG2 VAL 92 -2.279 -2.584 9.431 731 2HG2 VAL 92 2HG2 VAL 92 -2.355 -1.645 7.921 732 3HG2 VAL 92 3HG2 VAL 92 -3.660 -1.504 9.122 733 H LYS 93 H LYS 93 -1.723 -6.786 7.259 734 HA LYS 93 HA LYS 93 -3.062 -8.058 5.407 735 1HB LYS 93 1HB LYS 93 -3.049 -10.093 7.057 736 2HB LYS 93 2HB LYS 93 -1.545 -9.385 6.503 737 1HG LYS 93 1HG LYS 93 -1.281 -8.116 8.563 738 2HG LYS 93 2HG LYS 93 -2.907 -8.505 9.086 739 1HD LYS 93 1HD LYS 93 -1.797 -10.130 10.292 740 2HD LYS 93 2HD LYS 93 -1.991 -11.033 8.802 741 1HE LYS 93 1HE LYS 93 0.284 -10.185 8.055 742 2HE LYS 93 2HE LYS 93 0.475 -9.425 9.623 743 1HZ LYS 93 1HZ LYS 93 1.214 -11.901 9.092 744 2HZ LYS 93 2HZ LYS 93 0.825 -11.388 10.593 745 3HZ LYS 93 3HZ LYS 93 -0.275 -12.195 9.695 746 H ASP 94 H ASP 94 -4.427 -7.361 8.679 747 HA ASP 94 HA ASP 94 -6.885 -6.749 7.957 748 1HB ASP 94 1HB ASP 94 -8.119 -9.027 8.434 749 2HB ASP 94 2HB ASP 94 -7.501 -8.705 6.825 750 H LYS 95 H LYS 95 -5.288 -6.059 10.047 751 HA LYS 95 HA LYS 95 -5.379 -5.679 12.229 752 1HB LYS 95 1HB LYS 95 -7.950 -6.959 11.751 753 2HB LYS 95 2HB LYS 95 -7.334 -7.346 13.346 754 1HG LYS 95 1HG LYS 95 -8.093 -5.308 14.007 755 2HG LYS 95 2HG LYS 95 -6.756 -4.617 13.109 756 1HD LYS 95 1HD LYS 95 -8.211 -3.650 11.667 757 2HD LYS 95 2HD LYS 95 -8.807 -5.229 11.196 758 1HE LYS 95 1HE LYS 95 -10.237 -5.117 13.397 759 2HE LYS 95 2HE LYS 95 -9.864 -3.404 13.386 760 1HZ LYS 95 1HZ LYS 95 -11.713 -3.423 12.126 761 2HZ LYS 95 2HZ LYS 95 -10.638 -3.665 10.920 762 3HZ LYS 95 3HZ LYS 95 -11.477 -4.926 11.532 763 H ALA 96 H ALA 96 -5.970 -9.176 11.467 764 HA ALA 96 HA ALA 96 -3.429 -9.916 12.428 765 1HB ALA 96 1HB ALA 96 -5.280 -9.475 14.476 766 2HB ALA 96 2HB ALA 96 -5.328 -11.236 14.226 767 3HB ALA 96 3HB ALA 96 -3.784 -10.432 14.594 768 H ILE 97 H ILE 97 -6.880 -10.937 12.002 769 HA ILE 97 HA ILE 97 -6.029 -12.815 9.999 770 HB ILE 97 HB ILE 97 -7.504 -14.569 11.373 771 1HG1 ILE 97 1HG1 ILE 97 -5.966 -13.184 13.579 772 2HG1 ILE 97 2HG1 ILE 97 -7.665 -12.878 13.281 773 1HG2 ILE 97 1HG2 ILE 97 -5.432 -15.673 11.981 774 2HG2 ILE 97 2HG2 ILE 97 -5.281 -14.928 10.372 775 3HG2 ILE 97 3HG2 ILE 97 -4.531 -14.150 11.787 776 1HD1 ILE 97 1HD1 ILE 97 -7.201 -15.747 13.289 777 2HD1 ILE 97 2HD1 ILE 97 -6.533 -15.021 14.770 778 3HD1 ILE 97 3HD1 ILE 97 -8.248 -14.782 14.357 779 H ASP 98 H ASP 98 -7.623 -10.302 10.289 780 HA ASP 98 HA ASP 98 -9.559 -9.458 9.756 781 1HB ASP 98 1HB ASP 98 -8.755 -10.756 7.626 782 2HB ASP 98 2HB ASP 98 -10.022 -11.904 8.008 783 H ASN 99 H ASN 99 -9.546 -11.404 12.037 784 HA ASN 99 HA ASN 99 -10.858 -12.615 13.287 785 1HB ASN 99 1HB ASN 99 -12.477 -10.362 12.260 786 2HB ASN 99 2HB ASN 99 -13.482 -11.706 12.762 787 1HD2 ASN 99 1HD2 ASN 99 -14.297 -10.564 14.498 788 2HD2 ASN 99 2HD2 ASN 99 -13.397 -10.258 15.945 789 H ALA 100 H ALA 100 -10.481 -14.593 11.916 790 HA ALA 100 HA ALA 100 -12.990 -15.490 10.715 791 1HB ALA 100 1HB ALA 100 -10.960 -14.609 9.122 792 2HB ALA 100 2HB ALA 100 -10.499 -16.317 9.317 793 3HB ALA 100 3HB ALA 100 -12.097 -15.897 8.656 794 H MET 101 H MET 101 -9.572 -16.646 11.199 795 HA MET 101 HA MET 101 -8.816 -18.185 12.596 796 1HB MET 101 1HB MET 101 -11.187 -17.687 13.849 797 2HB MET 101 2HB MET 101 -11.543 -19.305 13.278 798 1HG MET 101 1HG MET 101 -10.576 -19.465 15.521 799 2HG MET 101 2HG MET 101 -9.435 -20.137 14.375 800 1HE MET 101 1HE MET 101 -6.669 -18.653 16.337 801 2HE MET 101 2HE MET 101 -7.770 -20.038 16.140 802 3HE MET 101 3HE MET 101 -6.825 -19.447 14.752 Start of MODEL 14 1 H LYS 6 H LYS 6 -13.495 2.248 -12.486 2 HA LYS 6 HA LYS 6 -11.243 3.896 -11.597 3 1HB LYS 6 1HB LYS 6 -13.219 4.339 -13.521 4 2HB LYS 6 2HB LYS 6 -13.742 5.297 -12.150 5 1HG LYS 6 1HG LYS 6 -11.501 6.370 -12.015 6 2HG LYS 6 2HG LYS 6 -10.928 5.375 -13.339 7 1HD LYS 6 1HD LYS 6 -12.480 6.417 -14.904 8 2HD LYS 6 2HD LYS 6 -13.325 7.242 -13.609 9 1HE LYS 6 1HE LYS 6 -10.733 8.120 -13.193 10 2HE LYS 6 2HE LYS 6 -10.750 7.941 -14.936 11 1HZ LYS 6 1HZ LYS 6 -11.765 9.886 -14.934 12 2HZ LYS 6 2HZ LYS 6 -13.106 9.138 -14.376 13 3HZ LYS 6 3HZ LYS 6 -12.076 9.856 -13.331 14 H GLU 7 H GLU 7 -11.642 5.415 -9.781 15 HA GLU 7 HA GLU 7 -13.892 5.030 -8.156 16 1HB GLU 7 1HB GLU 7 -11.406 3.455 -7.526 17 2HB GLU 7 2HB GLU 7 -12.285 4.159 -6.184 18 1HG GLU 7 1HG GLU 7 -14.354 3.065 -7.668 19 2HG GLU 7 2HG GLU 7 -13.063 1.925 -7.991 20 H ARG 8 H ARG 8 -13.073 7.351 -9.144 21 HA ARG 8 HA ARG 8 -12.167 9.306 -8.804 22 1HB ARG 8 1HB ARG 8 -12.750 8.827 -5.846 23 2HB ARG 8 2HB ARG 8 -12.804 10.355 -6.703 24 1HG ARG 8 1HG ARG 8 -14.808 9.789 -7.857 25 2HG ARG 8 2HG ARG 8 -14.599 8.071 -7.579 26 1HD ARG 8 1HD ARG 8 -15.156 8.287 -5.225 27 2HD ARG 8 2HD ARG 8 -15.044 10.035 -5.287 28 HE ARG 8 HE ARG 8 -17.029 8.929 -7.143 29 1HH1 ARG 8 1HH1 ARG 8 -16.460 10.074 -3.865 30 2HH1 ARG 8 2HH1 ARG 8 -18.128 10.437 -3.566 31 1HH2 ARG 8 1HH2 ARG 8 -19.228 9.408 -6.750 32 2HH2 ARG 8 2HH2 ARG 8 -19.712 10.056 -5.218 33 H LEU 9 H LEU 9 -10.977 10.260 -6.153 34 HA LEU 9 HA LEU 9 -8.340 10.021 -6.685 35 1HB LEU 9 1HB LEU 9 -7.996 11.094 -4.729 36 2HB LEU 9 2HB LEU 9 -9.713 11.387 -4.924 37 HG LEU 9 HG LEU 9 -8.824 8.997 -3.344 38 1HD1 LEU 9 1HD1 LEU 9 -8.535 10.247 -1.335 39 2HD1 LEU 9 2HD1 LEU 9 -7.470 10.962 -2.568 40 3HD1 LEU 9 3HD1 LEU 9 -8.998 11.767 -2.138 41 1HD2 LEU 9 1HD2 LEU 9 -11.251 10.733 -3.550 42 2HD2 LEU 9 2HD2 LEU 9 -11.108 8.959 -3.497 43 3HD2 LEU 9 3HD2 LEU 9 -10.906 9.913 -2.008 44 H GLU 10 H GLU 10 -10.418 7.741 -4.840 45 HA GLU 10 HA GLU 10 -8.621 6.163 -3.682 46 1HB GLU 10 1HB GLU 10 -11.323 5.971 -4.366 47 2HB GLU 10 2HB GLU 10 -10.625 4.569 -5.152 48 1HG GLU 10 1HG GLU 10 -10.504 3.495 -3.162 49 2HG GLU 10 2HG GLU 10 -9.434 4.738 -2.543 50 H ASN 11 H ASN 11 -9.939 5.249 -6.948 51 HA ASN 11 HA ASN 11 -8.146 3.377 -7.563 52 1HB ASN 11 1HB ASN 11 -9.968 3.808 -9.086 53 2HB ASN 11 2HB ASN 11 -9.494 5.479 -9.313 54 1HD2 ASN 11 1HD2 ASN 11 -8.400 2.140 -9.779 55 2HD2 ASN 11 2HD2 ASN 11 -7.493 2.398 -11.232 56 H ASP 12 H ASP 12 -7.740 6.921 -7.549 57 HA ASP 12 HA ASP 12 -5.501 7.100 -9.145 58 1HB ASP 12 1HB ASP 12 -7.086 8.865 -7.773 59 2HB ASP 12 2HB ASP 12 -5.672 8.880 -6.739 60 H ILE 13 H ILE 13 -5.904 6.779 -5.541 61 HA ILE 13 HA ILE 13 -3.174 6.765 -4.942 62 HB ILE 13 HB ILE 13 -5.582 5.681 -3.485 63 1HG1 ILE 13 1HG1 ILE 13 -4.647 7.857 -2.101 64 2HG1 ILE 13 2HG1 ILE 13 -4.315 8.332 -3.755 65 1HG2 ILE 13 1HG2 ILE 13 -3.424 4.559 -2.831 66 2HG2 ILE 13 2HG2 ILE 13 -2.837 6.155 -2.307 67 3HG2 ILE 13 3HG2 ILE 13 -4.262 5.430 -1.525 68 1HD1 ILE 13 1HD1 ILE 13 -6.501 8.849 -4.017 69 2HD1 ILE 13 2HD1 ILE 13 -6.913 7.135 -3.772 70 3HD1 ILE 13 3HD1 ILE 13 -6.859 8.244 -2.381 71 H ILE 14 H ILE 14 -5.463 4.220 -5.973 72 HA ILE 14 HA ILE 14 -3.814 2.045 -5.340 73 HB ILE 14 HB ILE 14 -6.197 2.537 -7.055 74 1HG1 ILE 14 1HG1 ILE 14 -7.270 1.051 -5.577 75 2HG1 ILE 14 2HG1 ILE 14 -5.761 0.362 -5.012 76 1HG2 ILE 14 1HG2 ILE 14 -4.334 0.190 -7.331 77 2HG2 ILE 14 2HG2 ILE 14 -6.083 0.014 -7.611 78 3HG2 ILE 14 3HG2 ILE 14 -5.134 1.156 -8.593 79 1HD1 ILE 14 1HD1 ILE 14 -6.499 3.288 -4.577 80 2HD1 ILE 14 2HD1 ILE 14 -6.866 2.001 -3.403 81 3HD1 ILE 14 3HD1 ILE 14 -5.175 2.380 -3.809 82 H ARG 15 H ARG 15 -4.242 3.988 -8.366 83 HA ARG 15 HA ARG 15 -2.360 2.485 -9.775 84 1HB ARG 15 1HB ARG 15 -3.899 3.742 -11.093 85 2HB ARG 15 2HB ARG 15 -3.658 5.204 -10.157 86 1HG ARG 15 1HG ARG 15 -1.352 5.430 -11.060 87 2HG ARG 15 2HG ARG 15 -1.535 3.932 -11.951 88 1HD ARG 15 1HD ARG 15 -2.759 4.928 -13.615 89 2HD ARG 15 2HD ARG 15 -3.730 5.847 -12.483 90 HE ARG 15 HE ARG 15 -0.990 6.838 -12.641 91 1HH1 ARG 15 1HH1 ARG 15 -4.157 6.962 -14.170 92 2HH1 ARG 15 2HH1 ARG 15 -3.886 8.510 -14.897 93 1HH2 ARG 15 1HH2 ARG 15 -0.632 8.881 -13.600 94 2HH2 ARG 15 2HH2 ARG 15 -1.868 9.609 -14.571 95 H LEU 16 H LEU 16 -2.094 4.874 -7.285 96 HA LEU 16 HA LEU 16 0.304 6.115 -8.092 97 1HB LEU 16 1HB LEU 16 -1.525 6.163 -5.864 98 2HB LEU 16 2HB LEU 16 0.129 6.137 -5.284 99 HG LEU 16 HG LEU 16 -0.498 8.410 -5.446 100 1HD1 LEU 16 1HD1 LEU 16 0.902 8.643 -7.956 101 2HD1 LEU 16 2HD1 LEU 16 1.458 9.009 -6.305 102 3HD1 LEU 16 3HD1 LEU 16 1.630 7.362 -6.958 103 1HD2 LEU 16 1HD2 LEU 16 -2.438 8.427 -6.755 104 2HD2 LEU 16 2HD2 LEU 16 -1.258 9.367 -7.700 105 3HD2 LEU 16 3HD2 LEU 16 -1.618 7.683 -8.150 106 H ILE 17 H ILE 17 -0.214 3.724 -5.401 107 HA ILE 17 HA ILE 17 2.467 3.108 -5.129 108 HB ILE 17 HB ILE 17 -0.120 1.928 -4.311 109 1HG1 ILE 17 1HG1 ILE 17 0.936 3.609 -2.931 110 2HG1 ILE 17 2HG1 ILE 17 0.931 2.071 -2.090 111 1HG2 ILE 17 1HG2 ILE 17 0.857 -0.104 -5.035 112 2HG2 ILE 17 2HG2 ILE 17 2.451 0.339 -4.380 113 3HG2 ILE 17 3HG2 ILE 17 1.105 -0.027 -3.274 114 1HD1 ILE 17 1HD1 ILE 17 3.350 2.109 -3.592 115 2HD1 ILE 17 2HD1 ILE 17 3.197 3.720 -2.851 116 3HD1 ILE 17 3HD1 ILE 17 3.170 2.264 -1.828 117 H ASN 18 H ASN 18 0.095 2.117 -7.540 118 HA ASN 18 HA ASN 18 1.384 -0.218 -8.335 119 1HB ASN 18 1HB ASN 18 -0.985 1.022 -8.977 120 2HB ASN 18 2HB ASN 18 -0.051 1.419 -10.406 121 1HD2 ASN 18 1HD2 ASN 18 -0.688 0.115 -11.951 122 2HD2 ASN 18 2HD2 ASN 18 -0.817 -1.610 -11.874 123 H ARG 19 H ARG 19 1.348 3.184 -9.645 124 HA ARG 19 HA ARG 19 3.067 2.786 -11.714 125 1HB ARG 19 1HB ARG 19 2.105 5.092 -10.109 126 2HB ARG 19 2HB ARG 19 3.676 5.373 -10.832 127 1HG ARG 19 1HG ARG 19 1.899 4.090 -12.766 128 2HG ARG 19 2HG ARG 19 1.138 5.526 -12.111 129 1HD ARG 19 1HD ARG 19 3.677 6.489 -12.540 130 2HD ARG 19 2HD ARG 19 3.589 5.286 -13.811 131 HE ARG 19 HE ARG 19 1.153 6.770 -13.854 132 1HH1 ARG 19 1HH1 ARG 19 4.581 7.249 -14.491 133 2HH1 ARG 19 2HH1 ARG 19 4.320 8.507 -15.652 134 1HH2 ARG 19 1HH2 ARG 19 0.808 8.430 -15.386 135 2HH2 ARG 19 2HH2 ARG 19 2.159 9.184 -16.164 136 H THR 20 H THR 20 3.678 2.810 -8.268 137 HA THR 20 HA THR 20 6.467 3.490 -8.483 138 HB THR 20 HB THR 20 4.406 3.097 -6.420 139 HG1 THR 20 HG1 THR 20 7.114 4.214 -6.629 140 1HG2 THR 20 1HG2 THR 20 5.548 1.190 -5.554 141 2HG2 THR 20 2HG2 THR 20 7.133 1.782 -6.108 142 3HG2 THR 20 3HG2 THR 20 6.337 2.545 -4.711 143 H VAL 21 H VAL 21 4.847 0.494 -7.232 144 HA VAL 21 HA VAL 21 6.881 -1.180 -7.148 145 HB VAL 21 HB VAL 21 4.181 -1.719 -8.398 146 1HG1 VAL 21 1HG1 VAL 21 4.738 -3.863 -8.657 147 2HG1 VAL 21 2HG1 VAL 21 6.421 -3.430 -8.270 148 3HG1 VAL 21 3HG1 VAL 21 5.319 -3.964 -6.978 149 1HG2 VAL 21 1HG2 VAL 21 3.670 -2.576 -6.071 150 2HG2 VAL 21 2HG2 VAL 21 5.189 -1.814 -5.541 151 3HG2 VAL 21 3HG2 VAL 21 3.878 -0.814 -6.211 152 H ILE 22 H ILE 22 5.170 -0.290 -10.217 153 HA ILE 22 HA ILE 22 6.645 -1.883 -11.911 154 HB ILE 22 HB ILE 22 5.791 -0.582 -13.654 155 1HG1 ILE 22 1HG1 ILE 22 4.678 1.752 -12.729 156 2HG1 ILE 22 2HG1 ILE 22 6.143 1.660 -11.772 157 1HG2 ILE 22 1HG2 ILE 22 4.155 -1.378 -11.498 158 2HG2 ILE 22 2HG2 ILE 22 3.524 0.189 -12.061 159 3HG2 ILE 22 3HG2 ILE 22 3.699 -1.163 -13.206 160 1HD1 ILE 22 1HD1 ILE 22 7.511 1.984 -13.585 161 2HD1 ILE 22 2HD1 ILE 22 6.501 0.978 -14.650 162 3HD1 ILE 22 3HD1 ILE 22 6.041 2.665 -14.321 163 H HIS 23 H HIS 23 8.829 -2.050 -11.927 164 HA HIS 23 HA HIS 23 10.860 -1.338 -12.578 165 1HB HIS 23 1HB HIS 23 9.572 0.822 -13.390 166 2HB HIS 23 2HB HIS 23 10.294 1.542 -11.965 167 HD1 HIS 23 HD1 HIS 23 11.845 3.077 -13.377 168 HD2 HIS 23 HD2 HIS 23 12.420 -1.024 -14.049 169 HE1 HIS 23 HE1 HIS 23 14.014 2.867 -14.704 170 HE2 HIS 23 HE2 HIS 23 14.344 0.323 -15.039 171 H GLU 24 H GLU 24 9.086 -0.646 -9.699 172 HA GLU 24 HA GLU 24 11.605 -0.433 -8.242 173 1HB GLU 24 1HB GLU 24 8.824 0.614 -7.590 174 2HB GLU 24 2HB GLU 24 10.082 0.501 -6.374 175 1HG GLU 24 1HG GLU 24 10.816 2.531 -7.072 176 2HG GLU 24 2HG GLU 24 11.376 1.749 -8.537 177 H ILE 25 H ILE 25 11.096 -1.256 -5.762 178 HA ILE 25 HA ILE 25 10.592 -2.948 -4.423 179 HB ILE 25 HB ILE 25 8.689 -4.008 -6.505 180 1HG1 ILE 25 1HG1 ILE 25 8.387 -1.527 -5.989 181 2HG1 ILE 25 2HG1 ILE 25 6.994 -2.568 -5.775 182 1HG2 ILE 25 1HG2 ILE 25 7.476 -4.717 -4.366 183 2HG2 ILE 25 2HG2 ILE 25 8.953 -5.605 -4.810 184 3HG2 ILE 25 3HG2 ILE 25 9.008 -4.372 -3.528 185 1HD1 ILE 25 1HD1 ILE 25 8.867 -1.603 -3.565 186 2HD1 ILE 25 2HD1 ILE 25 7.196 -1.059 -3.849 187 3HD1 ILE 25 3HD1 ILE 25 7.511 -2.729 -3.322 188 H TYR 26 H TYR 26 12.800 -3.600 -4.684 189 HA TYR 26 HA TYR 26 14.007 -4.940 -6.627 190 1HB TYR 26 1HB TYR 26 14.243 -4.525 -3.832 191 2HB TYR 26 2HB TYR 26 14.235 -6.273 -3.957 192 HD1 TYR 26 HD1 TYR 26 16.023 -3.200 -5.021 193 HD2 TYR 26 HD2 TYR 26 16.135 -7.471 -4.787 194 HE1 TYR 26 HE1 TYR 26 18.492 -3.176 -5.626 195 HE2 TYR 26 HE2 TYR 26 18.604 -7.432 -5.393 196 HH TYR 26 HH TYR 26 20.305 -6.221 -5.927 197 H ASN 27 H ASN 27 13.623 -6.705 -7.864 198 HA ASN 27 HA ASN 27 12.910 -8.644 -8.519 199 1HB ASN 27 1HB ASN 27 13.806 -9.149 -5.914 200 2HB ASN 27 2HB ASN 27 12.185 -9.813 -5.880 201 1HD2 ASN 27 1HD2 ASN 27 11.585 -11.119 -7.875 202 2HD2 ASN 27 2HD2 ASN 27 12.751 -12.263 -8.450 203 H GLU 28 H GLU 28 10.905 -7.986 -9.470 204 HA GLU 28 HA GLU 28 8.721 -7.025 -8.395 205 1HB GLU 28 1HB GLU 28 9.279 -7.945 -10.835 206 2HB GLU 28 2HB GLU 28 8.325 -9.319 -10.317 207 1HG GLU 28 1HG GLU 28 6.371 -8.159 -10.488 208 2HG GLU 28 2HG GLU 28 7.011 -6.794 -9.596 209 H THR 29 H THR 29 7.307 -7.539 -6.780 210 HA THR 29 HA THR 29 6.638 -10.332 -6.339 211 HB THR 29 HB THR 29 8.400 -8.666 -4.585 212 HG1 THR 29 HG1 THR 29 9.062 -10.888 -4.168 213 1HG2 THR 29 1HG2 THR 29 6.151 -10.444 -3.503 214 2HG2 THR 29 2HG2 THR 29 7.580 -9.959 -2.559 215 3HG2 THR 29 3HG2 THR 29 6.421 -8.728 -3.115 216 H VAL 30 H VAL 30 6.286 -7.187 -4.565 217 HA VAL 30 HA VAL 30 3.624 -7.679 -3.908 218 HB VAL 30 HB VAL 30 3.617 -5.511 -3.057 219 1HG1 VAL 30 1HG1 VAL 30 5.558 -5.401 -1.748 220 2HG1 VAL 30 2HG1 VAL 30 5.456 -7.118 -2.207 221 3HG1 VAL 30 3HG1 VAL 30 6.590 -6.036 -3.051 222 1HG2 VAL 30 1HG2 VAL 30 4.044 -4.155 -4.949 223 2HG2 VAL 30 2HG2 VAL 30 5.351 -3.787 -3.798 224 3HG2 VAL 30 3HG2 VAL 30 5.664 -4.854 -5.187 225 H LYS 31 H LYS 31 5.097 -6.911 -6.928 226 HA LYS 31 HA LYS 31 3.266 -5.264 -8.133 227 1HB LYS 31 1HB LYS 31 5.328 -5.807 -9.209 228 2HB LYS 31 2HB LYS 31 4.962 -7.520 -9.222 229 1HG LYS 31 1HG LYS 31 2.887 -5.844 -10.533 230 2HG LYS 31 2HG LYS 31 4.454 -5.764 -11.313 231 1HD LYS 31 1HD LYS 31 4.532 -8.203 -11.557 232 2HD LYS 31 2HD LYS 31 3.083 -8.394 -10.591 233 1HE LYS 31 1HE LYS 31 2.713 -6.556 -12.889 234 2HE LYS 31 2HE LYS 31 3.158 -8.180 -13.373 235 1HZ LYS 31 1HZ LYS 31 0.748 -7.777 -13.058 236 2HZ LYS 31 2HZ LYS 31 1.328 -9.049 -12.215 237 3HZ LYS 31 3HZ LYS 31 1.007 -7.642 -11.452 238 H THR 32 H THR 32 2.838 -8.483 -6.892 239 HA THR 32 HA THR 32 0.595 -9.082 -8.615 240 HB THR 32 HB THR 32 2.232 -10.809 -7.749 241 HG1 THR 32 HG1 THR 32 0.001 -11.356 -8.295 242 1HG2 THR 32 1HG2 THR 32 0.758 -10.463 -5.098 243 2HG2 THR 32 2HG2 THR 32 2.156 -11.509 -5.443 244 3HG2 THR 32 3HG2 THR 32 2.361 -9.742 -5.379 245 H GLY 33 H GLY 33 1.100 -8.308 -5.111 246 1HA GLY 33 1HA GLY 33 -1.577 -8.330 -4.369 247 2HA GLY 33 2HA GLY 33 -0.298 -7.412 -3.598 248 H HIS 34 H HIS 34 -3.177 -6.696 -4.176 249 HA HIS 34 HA HIS 34 -2.569 -4.169 -5.488 250 1HB HIS 34 1HB HIS 34 -4.731 -4.291 -6.721 251 2HB HIS 34 2HB HIS 34 -3.512 -5.421 -7.277 252 HD1 HIS 34 HD1 HIS 34 -3.804 -7.935 -5.901 253 HD2 HIS 34 HD2 HIS 34 -7.161 -5.494 -6.509 254 HE1 HIS 34 HE1 HIS 34 -5.841 -9.457 -5.693 255 HE2 HIS 34 HE2 HIS 34 -7.875 -7.891 -6.021 256 H VAL 35 H VAL 35 -3.214 -5.543 -2.699 257 HA VAL 35 HA VAL 35 -4.120 -4.832 -0.810 258 HB VAL 35 HB VAL 35 -5.129 -2.403 -2.291 259 1HG1 VAL 35 1HG1 VAL 35 -5.299 -1.357 -0.231 260 2HG1 VAL 35 2HG1 VAL 35 -5.775 -3.024 0.173 261 3HG1 VAL 35 3HG1 VAL 35 -4.131 -2.453 0.545 262 1HG2 VAL 35 1HG2 VAL 35 -3.025 -1.309 -1.890 263 2HG2 VAL 35 2HG2 VAL 35 -2.402 -2.718 -0.999 264 3HG2 VAL 35 3HG2 VAL 35 -2.699 -2.833 -2.750 265 H THR 36 H THR 36 -6.354 -3.863 -3.515 266 HA THR 36 HA THR 36 -8.449 -4.466 -3.964 267 HB THR 36 HB THR 36 -7.271 -6.800 -3.281 268 HG1 THR 36 HG1 THR 36 -10.166 -6.321 -3.363 269 1HG2 THR 36 1HG2 THR 36 -9.622 -7.289 -1.623 270 2HG2 THR 36 2HG2 THR 36 -7.919 -7.668 -1.270 271 3HG2 THR 36 3HG2 THR 36 -8.581 -6.070 -0.847 272 H HIS 37 H HIS 37 -7.634 -2.634 -1.692 273 HA HIS 37 HA HIS 37 -10.287 -2.229 -0.767 274 1HB HIS 37 1HB HIS 37 -8.573 -3.861 0.842 275 2HB HIS 37 2HB HIS 37 -8.790 -2.330 1.665 276 HD1 HIS 37 HD1 HIS 37 -10.197 -5.502 1.776 277 HD2 HIS 37 HD2 HIS 37 -11.894 -1.690 1.348 278 HE1 HIS 37 HE1 HIS 37 -12.635 -5.719 2.498 279 HE2 HIS 37 HE2 HIS 37 -13.610 -3.334 2.265 280 H VAL 38 H VAL 38 -7.219 -1.447 0.951 281 HA VAL 38 HA VAL 38 -6.174 0.468 1.297 282 HB VAL 38 HB VAL 38 -6.874 0.467 -1.518 283 1HG1 VAL 38 1HG1 VAL 38 -6.732 3.121 -0.085 284 2HG1 VAL 38 2HG1 VAL 38 -6.221 2.951 -1.782 285 3HG1 VAL 38 3HG1 VAL 38 -7.896 2.569 -1.314 286 1HG2 VAL 38 1HG2 VAL 38 -4.472 1.860 -1.102 287 2HG2 VAL 38 2HG2 VAL 38 -4.557 0.666 0.216 288 3HG2 VAL 38 3HG2 VAL 38 -4.667 0.131 -1.478 289 H LYS 39 H LYS 39 -6.672 2.088 2.700 290 HA LYS 39 HA LYS 39 -9.366 3.235 2.441 291 1HB LYS 39 1HB LYS 39 -8.610 1.589 4.452 292 2HB LYS 39 2HB LYS 39 -8.093 3.122 5.124 293 1HG LYS 39 1HG LYS 39 -10.383 2.792 5.822 294 2HG LYS 39 2HG LYS 39 -10.402 4.057 4.610 295 1HD LYS 39 1HD LYS 39 -10.641 1.466 3.302 296 2HD LYS 39 2HD LYS 39 -11.839 1.586 4.575 297 1HE LYS 39 1HE LYS 39 -11.422 3.846 2.578 298 2HE LYS 39 2HE LYS 39 -12.481 2.497 2.219 299 1HZ LYS 39 1HZ LYS 39 -13.650 3.008 4.300 300 2HZ LYS 39 2HZ LYS 39 -12.724 4.339 4.493 301 3HZ LYS 39 3HZ LYS 39 -13.731 4.224 3.213 302 H LEU 40 H LEU 40 -9.587 5.486 2.946 303 HA LEU 40 HA LEU 40 -7.041 6.899 2.657 304 1HB LEU 40 1HB LEU 40 -9.725 7.227 1.581 305 2HB LEU 40 2HB LEU 40 -9.124 8.705 2.305 306 HG LEU 40 HG LEU 40 -8.705 8.418 -0.167 307 1HD1 LEU 40 1HD1 LEU 40 -6.465 8.969 1.777 308 2HD1 LEU 40 2HD1 LEU 40 -6.270 9.179 0.020 309 3HD1 LEU 40 3HD1 LEU 40 -7.497 10.123 0.898 310 1HD2 LEU 40 1HD2 LEU 40 -7.398 6.799 -1.045 311 2HD2 LEU 40 2HD2 LEU 40 -6.331 6.729 0.378 312 3HD2 LEU 40 3HD2 LEU 40 -7.911 5.910 0.410 313 H SER 41 H SER 41 -6.187 7.257 4.661 314 HA SER 41 HA SER 41 -7.985 7.887 6.805 315 1HB SER 41 1HB SER 41 -4.966 7.522 6.645 316 2HB SER 41 2HB SER 41 -5.778 7.998 8.124 317 HG SER 41 HG SER 41 -5.404 5.521 7.266 318 H ASP 42 H ASP 42 -8.755 9.976 6.866 319 HA ASP 42 HA ASP 42 -8.749 12.136 6.164 320 1HB ASP 42 1HB ASP 42 -7.271 11.580 8.673 321 2HB ASP 42 2HB ASP 42 -6.931 13.171 8.020 322 H ASP 43 H ASP 43 -7.798 12.991 4.303 323 HA ASP 43 HA ASP 43 -6.316 13.657 2.866 324 1HB ASP 43 1HB ASP 43 -4.875 14.249 5.470 325 2HB ASP 43 2HB ASP 43 -4.074 14.572 3.945 326 H LEU 44 H LEU 44 -6.350 10.866 3.173 327 HA LEU 44 HA LEU 44 -5.136 8.977 3.184 328 1HB LEU 44 1HB LEU 44 -3.097 9.677 1.386 329 2HB LEU 44 2HB LEU 44 -4.627 8.891 1.050 330 HG LEU 44 HG LEU 44 -5.618 11.269 0.911 331 1HD1 LEU 44 1HD1 LEU 44 -4.299 13.000 1.325 332 2HD1 LEU 44 2HD1 LEU 44 -2.910 11.915 1.573 333 3HD1 LEU 44 3HD1 LEU 44 -3.272 12.540 -0.054 334 1HD2 LEU 44 1HD2 LEU 44 -4.254 9.611 -0.999 335 2HD2 LEU 44 2HD2 LEU 44 -5.677 10.657 -1.219 336 3HD2 LEU 44 3HD2 LEU 44 -4.041 11.325 -1.431 337 H LEU 45 H LEU 45 -4.369 10.929 5.311 338 HA LEU 45 HA LEU 45 -1.583 11.046 5.528 339 1HB LEU 45 1HB LEU 45 -3.546 12.253 6.785 340 2HB LEU 45 2HB LEU 45 -3.385 10.921 7.912 341 HG LEU 45 HG LEU 45 -1.300 12.989 7.189 342 1HD1 LEU 45 1HD1 LEU 45 -2.961 13.733 8.800 343 2HD1 LEU 45 2HD1 LEU 45 -2.665 12.294 9.805 344 3HD1 LEU 45 3HD1 LEU 45 -1.383 13.510 9.592 345 1HD2 LEU 45 1HD2 LEU 45 -0.967 10.430 8.770 346 2HD2 LEU 45 2HD2 LEU 45 -0.089 10.940 7.308 347 3HD2 LEU 45 3HD2 LEU 45 0.167 11.800 8.845 348 H HIS 46 H HIS 46 -3.722 8.378 5.589 349 HA HIS 46 HA HIS 46 -1.573 6.660 6.327 350 1HB HIS 46 1HB HIS 46 -3.856 7.140 8.217 351 2HB HIS 46 2HB HIS 46 -3.159 5.536 8.103 352 HD1 HIS 46 HD1 HIS 46 -0.686 5.220 8.937 353 HD2 HIS 46 HD2 HIS 46 -2.239 9.080 9.476 354 HE1 HIS 46 HE1 HIS 46 0.907 6.416 10.532 355 HE2 HIS 46 HE2 HIS 46 -0.069 8.800 10.782 356 H VAL 47 H VAL 47 -1.808 5.713 4.292 357 HA VAL 47 HA VAL 47 -4.415 4.923 3.391 358 HB VAL 47 HB VAL 47 -1.641 4.393 2.307 359 1HG1 VAL 47 1HG1 VAL 47 -3.575 2.836 1.600 360 2HG1 VAL 47 2HG1 VAL 47 -4.219 4.254 0.738 361 3HG1 VAL 47 3HG1 VAL 47 -2.613 3.610 0.318 362 1HG2 VAL 47 1HG2 VAL 47 -2.669 6.831 2.540 363 2HG2 VAL 47 2HG2 VAL 47 -1.765 6.335 1.089 364 3HG2 VAL 47 3HG2 VAL 47 -3.545 6.344 1.070 365 H THR 48 H THR 48 -5.400 3.294 4.507 366 HA THR 48 HA THR 48 -3.827 1.164 5.640 367 HB THR 48 HB THR 48 -6.856 1.574 5.431 368 HG1 THR 48 HG1 THR 48 -5.478 3.306 6.458 369 1HG2 THR 48 1HG2 THR 48 -5.635 -0.699 6.287 370 2HG2 THR 48 2HG2 THR 48 -5.455 0.280 7.762 371 3HG2 THR 48 3HG2 THR 48 -7.076 -0.043 7.100 372 H VAL 49 H VAL 49 -2.802 0.003 4.035 373 HA VAL 49 HA VAL 49 -4.425 -0.975 1.841 374 HB VAL 49 HB VAL 49 -2.261 -1.915 1.073 375 1HG1 VAL 49 1HG1 VAL 49 -1.137 0.542 1.043 376 2HG1 VAL 49 2HG1 VAL 49 -2.524 0.084 0.026 377 3HG1 VAL 49 3HG1 VAL 49 -2.790 0.972 1.546 378 1HG2 VAL 49 1HG2 VAL 49 -1.494 -1.483 3.771 379 2HG2 VAL 49 2HG2 VAL 49 -0.516 -2.147 2.440 380 3HG2 VAL 49 3HG2 VAL 49 -0.502 -0.398 2.768 381 H TYR 50 H TYR 50 -5.625 -2.783 2.075 382 HA TYR 50 HA TYR 50 -4.879 -4.646 4.191 383 1HB TYR 50 1HB TYR 50 -7.275 -4.289 2.283 384 2HB TYR 50 2HB TYR 50 -7.216 -5.529 3.521 385 HD1 TYR 50 HD1 TYR 50 -6.826 -1.805 3.209 386 HD2 TYR 50 HD2 TYR 50 -8.254 -5.089 5.550 387 HE1 TYR 50 HE1 TYR 50 -7.825 -0.181 4.891 388 HE2 TYR 50 HE2 TYR 50 -9.247 -3.454 7.225 389 HH TYR 50 HH TYR 50 -9.163 0.026 6.613 390 H LEU 51 H LEU 51 -2.923 -4.979 2.465 391 HA LEU 51 HA LEU 51 -3.171 -6.278 0.135 392 1HB LEU 51 1HB LEU 51 -1.236 -7.003 2.339 393 2HB LEU 51 2HB LEU 51 -1.043 -7.358 0.634 394 HG LEU 51 HG LEU 51 -1.014 -4.635 1.954 395 1HD1 LEU 51 1HD1 LEU 51 1.128 -6.096 0.386 396 2HD1 LEU 51 2HD1 LEU 51 1.279 -4.517 1.194 397 3HD1 LEU 51 3HD1 LEU 51 1.042 -5.993 2.161 398 1HD2 LEU 51 1HD2 LEU 51 -0.705 -3.640 -0.226 399 2HD2 LEU 51 2HD2 LEU 51 -0.808 -5.235 -1.009 400 3HD2 LEU 51 3HD2 LEU 51 -2.235 -4.548 -0.197 401 H ASP 52 H ASP 52 -4.140 -8.085 -0.617 402 HA ASP 52 HA ASP 52 -4.633 -10.178 1.347 403 1HB ASP 52 1HB ASP 52 -6.701 -8.788 0.735 404 2HB ASP 52 2HB ASP 52 -6.535 -9.383 -0.905 405 H CYS 53 H CYS 53 -2.863 -9.312 -1.248 406 HA CYS 53 HA CYS 53 -2.623 -10.291 -3.374 407 1HB CYS 53 1HB CYS 53 -1.212 -12.095 -1.382 408 2HB CYS 53 2HB CYS 53 -0.748 -11.807 -3.047 409 HG CYS 53 HG CYS 53 -0.308 -9.261 -2.839 410 H TYR 54 H TYR 54 -4.967 -10.998 -3.691 411 HA TYR 54 HA TYR 54 -6.592 -12.540 -3.879 412 1HB TYR 54 1HB TYR 54 -5.294 -14.683 -5.036 413 2HB TYR 54 2HB TYR 54 -5.574 -13.186 -5.902 414 HD1 TYR 54 HD1 TYR 54 -3.666 -11.311 -5.388 415 HD2 TYR 54 HD2 TYR 54 -3.148 -15.550 -5.117 416 HE1 TYR 54 HE1 TYR 54 -1.159 -11.033 -5.703 417 HE2 TYR 54 HE2 TYR 54 -0.643 -15.256 -5.433 418 HH TYR 54 HH TYR 54 0.928 -13.824 -6.111 419 H ASN 55 H ASN 55 -6.686 -12.765 -1.421 420 HA ASN 55 HA ASN 55 -7.297 -14.253 0.101 421 1HB ASN 55 1HB ASN 55 -6.893 -16.048 -1.912 422 2HB ASN 55 2HB ASN 55 -5.535 -16.491 -0.897 423 1HD2 ASN 55 1HD2 ASN 55 -8.966 -16.426 -1.273 424 2HD2 ASN 55 2HD2 ASN 55 -9.404 -17.369 0.113 425 H ARG 56 H ARG 56 -4.090 -13.589 -1.089 426 HA ARG 56 HA ARG 56 -2.385 -12.855 0.128 427 1HB ARG 56 1HB ARG 56 -3.351 -14.486 2.525 428 2HB ARG 56 2HB ARG 56 -2.145 -13.215 2.540 429 1HG ARG 56 1HG ARG 56 -3.716 -11.526 2.494 430 2HG ARG 56 2HG ARG 56 -4.785 -12.402 1.416 431 1HD ARG 56 1HD ARG 56 -6.067 -12.562 3.336 432 2HD ARG 56 2HD ARG 56 -5.075 -13.984 3.591 433 HE ARG 56 HE ARG 56 -4.813 -11.383 4.991 434 1HH1 ARG 56 1HH1 ARG 56 -3.523 -14.609 4.436 435 2HH1 ARG 56 2HH1 ARG 56 -2.551 -14.606 5.870 436 1HH2 ARG 56 1HH2 ARG 56 -3.531 -11.378 6.883 437 2HH2 ARG 56 2HH2 ARG 56 -2.556 -12.756 7.271 438 H GLU 57 H GLU 57 -2.956 -15.479 -1.357 439 HA GLU 57 HA GLU 57 -1.497 -17.507 -0.137 440 1HB GLU 57 1HB GLU 57 -2.103 -17.016 -3.086 441 2HB GLU 57 2HB GLU 57 -1.481 -18.522 -2.440 442 1HG GLU 57 1HG GLU 57 -3.599 -18.252 -0.783 443 2HG GLU 57 2HG GLU 57 -4.215 -17.299 -2.118 444 H GLN 58 H GLN 58 -0.523 -14.550 -1.652 445 HA GLN 58 HA GLN 58 2.205 -15.573 -1.723 446 1HB GLN 58 1HB GLN 58 0.911 -14.957 -4.001 447 2HB GLN 58 2HB GLN 58 1.417 -13.335 -3.572 448 1HG GLN 58 1HG GLN 58 3.454 -13.806 -4.449 449 2HG GLN 58 2HG GLN 58 3.714 -14.922 -3.123 450 1HE2 GLN 58 1HE2 GLN 58 4.732 -16.549 -4.086 451 2HE2 GLN 58 2HE2 GLN 58 4.117 -17.510 -5.389 452 H ILE 59 H ILE 59 0.047 -13.660 -0.120 453 HA ILE 59 HA ILE 59 1.112 -11.161 0.089 454 HB ILE 59 HB ILE 59 -0.894 -12.533 1.266 455 1HG1 ILE 59 1HG1 ILE 59 -0.789 -10.306 2.847 456 2HG1 ILE 59 2HG1 ILE 59 0.284 -9.835 1.544 457 1HG2 ILE 59 1HG2 ILE 59 0.424 -13.655 2.910 458 2HG2 ILE 59 2HG2 ILE 59 1.225 -12.140 3.391 459 3HG2 ILE 59 3HG2 ILE 59 -0.504 -12.381 3.736 460 1HD1 ILE 59 1HD1 ILE 59 -2.647 -10.257 1.512 461 2HD1 ILE 59 2HD1 ILE 59 -1.630 -9.260 0.444 462 3HD1 ILE 59 3HD1 ILE 59 -1.797 -11.006 0.139 463 H ASP 60 H ASP 60 2.040 -14.102 2.005 464 HA ASP 60 HA ASP 60 3.829 -13.151 3.660 465 1HB ASP 60 1HB ASP 60 3.357 -15.645 2.389 466 2HB ASP 60 2HB ASP 60 5.074 -15.361 2.185 467 H ARG 61 H ARG 61 4.302 -13.662 0.110 468 HA ARG 61 HA ARG 61 7.000 -12.791 0.229 469 1HB ARG 61 1HB ARG 61 5.228 -13.082 -2.245 470 2HB ARG 61 2HB ARG 61 6.980 -13.102 -2.204 471 1HG ARG 61 1HG ARG 61 5.387 -15.137 -0.608 472 2HG ARG 61 2HG ARG 61 5.678 -15.387 -2.318 473 1HD ARG 61 1HD ARG 61 8.211 -14.860 -1.671 474 2HD ARG 61 2HD ARG 61 7.686 -15.280 -0.053 475 HE ARG 61 HE ARG 61 7.597 -17.520 -0.705 476 1HH1 ARG 61 1HH1 ARG 61 7.457 -15.499 -3.582 477 2HH1 ARG 61 2HH1 ARG 61 7.534 -16.835 -4.681 478 1HH2 ARG 61 1HH2 ARG 61 7.700 -19.284 -2.154 479 2HH2 ARG 61 2HH2 ARG 61 7.673 -19.003 -3.863 480 H VAL 62 H VAL 62 3.802 -11.467 -0.797 481 HA VAL 62 HA VAL 62 4.806 -9.072 -1.870 482 HB VAL 62 HB VAL 62 2.095 -9.624 -0.652 483 1HG1 VAL 62 1HG1 VAL 62 1.637 -7.525 -1.252 484 2HG1 VAL 62 2HG1 VAL 62 3.249 -7.335 -1.983 485 3HG1 VAL 62 3HG1 VAL 62 1.905 -7.993 -2.948 486 1HG2 VAL 62 1HG2 VAL 62 3.381 -10.649 -3.108 487 2HG2 VAL 62 2HG2 VAL 62 1.999 -11.281 -2.181 488 3HG2 VAL 62 3HG2 VAL 62 1.759 -9.953 -3.342 489 H VAL 63 H VAL 63 2.977 -9.559 1.238 490 HA VAL 63 HA VAL 63 3.438 -7.136 2.339 491 HB VAL 63 HB VAL 63 3.182 -9.896 3.495 492 1HG1 VAL 63 1HG1 VAL 63 4.033 -7.433 4.904 493 2HG1 VAL 63 2HG1 VAL 63 2.685 -8.319 5.656 494 3HG1 VAL 63 3HG1 VAL 63 4.233 -9.144 5.352 495 1HG2 VAL 63 1HG2 VAL 63 1.206 -7.896 4.252 496 2HG2 VAL 63 2HG2 VAL 63 1.368 -8.024 2.484 497 3HG2 VAL 63 3HG2 VAL 63 0.987 -9.470 3.449 498 H GLY 64 H GLY 64 5.640 -10.002 2.373 499 1HA GLY 64 1HA GLY 64 7.622 -9.009 4.027 500 2HA GLY 64 2HA GLY 64 7.855 -10.154 2.721 501 H ALA 65 H ALA 65 7.102 -8.537 0.474 502 HA ALA 65 HA ALA 65 9.517 -7.052 0.177 503 1HB ALA 65 1HB ALA 65 8.223 -6.487 -2.066 504 2HB ALA 65 2HB ALA 65 8.872 -8.120 -1.781 505 3HB ALA 65 3HB ALA 65 7.142 -7.791 -1.518 506 H PHE 66 H PHE 66 6.048 -6.336 0.748 507 HA PHE 66 HA PHE 66 6.077 -3.638 0.201 508 1HB PHE 66 1HB PHE 66 4.561 -5.646 1.816 509 2HB PHE 66 2HB PHE 66 4.415 -4.020 2.454 510 HD1 PHE 66 HD1 PHE 66 3.637 -6.216 -0.366 511 HD2 PHE 66 HD2 PHE 66 3.261 -2.289 1.199 512 HE1 PHE 66 HE1 PHE 66 1.868 -5.705 -2.072 513 HE2 PHE 66 HE2 PHE 66 1.492 -1.779 -0.507 514 HZ PHE 66 HZ PHE 66 0.817 -3.492 -2.122 515 H ASN 67 H ASN 67 7.543 -5.425 2.859 516 HA ASN 67 HA ASN 67 7.581 -3.338 4.703 517 1HB ASN 67 1HB ASN 67 8.461 -6.039 4.571 518 2HB ASN 67 2HB ASN 67 9.922 -5.117 4.867 519 1HD2 ASN 67 1HD2 ASN 67 7.380 -6.656 6.270 520 2HD2 ASN 67 2HD2 ASN 67 7.347 -5.905 7.830 521 H GLN 68 H GLN 68 10.146 -4.721 2.501 522 HA GLN 68 HA GLN 68 11.871 -2.532 3.014 523 1HB GLN 68 1HB GLN 68 12.011 -4.777 0.955 524 2HB GLN 68 2HB GLN 68 13.302 -3.631 1.251 525 1HG GLN 68 1HG GLN 68 12.783 -4.491 3.822 526 2HG GLN 68 2HG GLN 68 12.396 -5.937 2.912 527 1HE2 GLN 68 1HE2 GLN 68 14.421 -6.124 4.584 528 2HE2 GLN 68 2HE2 GLN 68 15.959 -6.155 3.787 529 H ALA 69 H ALA 69 9.032 -2.653 1.352 530 HA ALA 69 HA ALA 69 10.003 -0.923 -0.814 531 1HB ALA 69 1HB ALA 69 8.844 -2.642 -1.861 532 2HB ALA 69 2HB ALA 69 7.709 -2.847 -0.506 533 3HB ALA 69 3HB ALA 69 7.535 -1.462 -1.611 534 H LYS 70 H LYS 70 8.623 -0.923 2.290 535 HA LYS 70 HA LYS 70 6.592 0.923 2.131 536 1HB LYS 70 1HB LYS 70 7.706 -0.482 4.116 537 2HB LYS 70 2HB LYS 70 8.488 1.053 4.435 538 1HG LYS 70 1HG LYS 70 6.554 2.024 5.172 539 2HG LYS 70 2HG LYS 70 5.610 1.366 3.849 540 1HD LYS 70 1HD LYS 70 4.667 0.199 5.632 541 2HD LYS 70 2HD LYS 70 5.915 -0.936 5.155 542 1HE LYS 70 1HE LYS 70 7.213 -0.525 7.033 543 2HE LYS 70 2HE LYS 70 6.764 1.167 7.111 544 1HZ LYS 70 1HZ LYS 70 5.788 -0.718 8.705 545 2HZ LYS 70 2HZ LYS 70 5.033 0.698 8.404 546 3HZ LYS 70 3HZ LYS 70 4.603 -0.647 7.584 547 H GLY 71 H GLY 71 9.973 1.292 1.425 548 1HA GLY 71 1HA GLY 71 10.163 4.090 2.004 549 2HA GLY 71 2HA GLY 71 11.287 3.104 1.090 550 H VAL 72 H VAL 72 9.993 2.155 -1.079 551 HA VAL 72 HA VAL 72 9.820 4.345 -2.764 552 HB VAL 72 HB VAL 72 8.796 2.676 -4.342 553 1HG1 VAL 72 1HG1 VAL 72 11.029 1.083 -3.556 554 2HG1 VAL 72 2HG1 VAL 72 10.936 2.308 -4.845 555 3HG1 VAL 72 3HG1 VAL 72 11.417 2.783 -3.198 556 1HG2 VAL 72 1HG2 VAL 72 8.556 0.382 -3.708 557 2HG2 VAL 72 2HG2 VAL 72 9.246 0.689 -2.096 558 3HG2 VAL 72 3HG2 VAL 72 7.651 1.353 -2.522 559 H PHE 73 H PHE 73 7.269 2.478 -1.030 560 HA PHE 73 HA PHE 73 5.083 3.665 -2.243 561 1HB PHE 73 1HB PHE 73 5.556 2.732 0.653 562 2HB PHE 73 2HB PHE 73 3.971 2.928 -0.070 563 HD1 PHE 73 HD1 PHE 73 5.169 1.776 -2.828 564 HD2 PHE 73 HD2 PHE 73 4.945 0.399 1.180 565 HE1 PHE 73 HE1 PHE 73 5.246 -0.598 -3.639 566 HE2 PHE 73 HE2 PHE 73 5.022 -1.975 0.368 567 HZ PHE 73 HZ PHE 73 5.171 -2.445 -2.032 568 H SER 74 H SER 74 6.884 4.610 0.763 569 HA SER 74 HA SER 74 5.240 6.746 1.369 570 1HB SER 74 1HB SER 74 7.188 7.532 2.756 571 2HB SER 74 2HB SER 74 6.772 5.850 3.020 572 HG SER 74 HG SER 74 8.522 5.676 1.087 573 H ARG 75 H ARG 75 8.076 6.402 -0.795 574 HA ARG 75 HA ARG 75 8.630 9.060 -1.143 575 1HB ARG 75 1HB ARG 75 9.600 6.671 -2.149 576 2HB ARG 75 2HB ARG 75 8.849 7.346 -3.581 577 1HG ARG 75 1HG ARG 75 10.288 9.198 -3.643 578 2HG ARG 75 2HG ARG 75 10.582 9.168 -1.916 579 1HD ARG 75 1HD ARG 75 11.870 6.985 -2.251 580 2HD ARG 75 2HD ARG 75 11.696 7.210 -3.980 581 HE ARG 75 HE ARG 75 13.335 8.883 -3.908 582 1HH1 ARG 75 1HH1 ARG 75 12.144 8.289 -0.650 583 2HH1 ARG 75 2HH1 ARG 75 13.335 9.295 0.106 584 1HH2 ARG 75 1HH2 ARG 75 14.905 10.210 -2.911 585 2HH2 ARG 75 2HH2 ARG 75 14.916 10.396 -1.189 586 H VAL 76 H VAL 76 6.079 6.979 -2.511 587 HA VAL 76 HA VAL 76 5.354 8.558 -4.686 588 HB VAL 76 HB VAL 76 3.687 6.753 -2.920 589 1HG1 VAL 76 1HG1 VAL 76 3.092 8.254 -5.413 590 2HG1 VAL 76 2HG1 VAL 76 2.562 6.555 -5.373 591 3HG1 VAL 76 3HG1 VAL 76 2.005 7.690 -4.120 592 1HG2 VAL 76 1HG2 VAL 76 4.201 5.374 -5.238 593 2HG2 VAL 76 2HG2 VAL 76 5.731 6.246 -4.981 594 3HG2 VAL 76 3HG2 VAL 76 5.090 5.179 -3.709 595 H LEU 77 H LEU 77 3.598 8.324 -1.509 596 HA LEU 77 HA LEU 77 2.061 10.572 -1.897 597 1HB LEU 77 1HB LEU 77 3.085 9.547 0.750 598 2HB LEU 77 2HB LEU 77 1.639 10.495 0.468 599 HG LEU 77 HG LEU 77 1.468 8.132 -1.138 600 1HD1 LEU 77 1HD1 LEU 77 2.067 6.381 0.129 601 2HD1 LEU 77 2HD1 LEU 77 3.128 7.553 0.948 602 3HD1 LEU 77 3HD1 LEU 77 1.536 7.158 1.640 603 1HD2 LEU 77 1HD2 LEU 77 -0.171 8.297 1.308 604 2HD2 LEU 77 2HD2 LEU 77 -0.216 9.741 0.268 605 3HD2 LEU 77 3HD2 LEU 77 -0.652 8.149 -0.399 606 H ALA 78 H ALA 78 5.478 10.273 -1.193 607 HA ALA 78 HA ALA 78 5.839 12.777 0.041 608 1HB ALA 78 1HB ALA 78 7.773 11.660 0.353 609 2HB ALA 78 2HB ALA 78 7.442 10.560 -1.007 610 3HB ALA 78 3HB ALA 78 8.203 12.140 -1.306 611 H HIS 79 H HIS 79 6.407 11.669 -3.379 612 HA HIS 79 HA HIS 79 6.817 14.329 -4.259 613 1HB HIS 79 1HB HIS 79 7.786 12.225 -5.265 614 2HB HIS 79 2HB HIS 79 6.200 11.875 -5.922 615 HD1 HIS 79 HD1 HIS 79 5.424 13.210 -7.989 616 HD2 HIS 79 HD2 HIS 79 9.121 14.468 -6.458 617 HE1 HIS 79 HE1 HIS 79 6.423 14.780 -9.734 618 HE2 HIS 79 HE2 HIS 79 8.668 15.563 -8.713 619 H ASN 80 H ASN 80 4.066 12.787 -3.162 620 HA ASN 80 HA ASN 80 2.322 13.866 -5.171 621 1HB ASN 80 1HB ASN 80 2.094 11.633 -3.674 622 2HB ASN 80 2HB ASN 80 1.335 12.733 -2.541 623 1HD2 ASN 80 1HD2 ASN 80 1.017 10.916 -5.393 624 2HD2 ASN 80 2HD2 ASN 80 -0.578 11.398 -5.868 625 H LEU 81 H LEU 81 2.398 13.954 -1.520 626 HA LEU 81 HA LEU 81 1.631 16.785 -1.696 627 1HB LEU 81 1HB LEU 81 0.796 14.629 0.236 628 2HB LEU 81 2HB LEU 81 0.613 16.335 0.595 629 HG LEU 81 HG LEU 81 -0.589 15.041 -1.861 630 1HD1 LEU 81 1HD1 LEU 81 -2.416 15.697 0.347 631 2HD1 LEU 81 2HD1 LEU 81 -2.368 14.282 -0.733 632 3HD1 LEU 81 3HD1 LEU 81 -1.301 14.352 0.690 633 1HD2 LEU 81 1HD2 LEU 81 -0.486 17.360 -2.194 634 2HD2 LEU 81 2HD2 LEU 81 -2.143 17.059 -1.620 635 3HD2 LEU 81 3HD2 LEU 81 -0.921 17.716 -0.505 636 H TYR 82 H TYR 82 2.212 15.675 1.480 637 HA TYR 82 HA TYR 82 4.209 17.384 2.071 638 1HB TYR 82 1HB TYR 82 2.820 15.177 3.188 639 2HB TYR 82 2HB TYR 82 4.490 14.651 3.256 640 HD1 TYR 82 HD1 TYR 82 5.939 15.433 4.952 641 HD2 TYR 82 HD2 TYR 82 2.210 17.420 4.281 642 HE1 TYR 82 HE1 TYR 82 6.274 16.794 7.074 643 HE2 TYR 82 HE2 TYR 82 2.557 18.774 6.404 644 HH TYR 82 HH TYR 82 3.725 18.810 8.342 645 H LEU 83 H LEU 83 6.539 16.707 2.839 646 HA LEU 83 HA LEU 83 7.925 15.935 0.487 647 1HB LEU 83 1HB LEU 83 9.778 16.712 1.526 648 2HB LEU 83 2HB LEU 83 8.542 17.591 2.404 649 HG LEU 83 HG LEU 83 9.504 14.971 3.502 650 1HD1 LEU 83 1HD1 LEU 83 11.573 16.109 2.936 651 2HD1 LEU 83 2HD1 LEU 83 11.012 17.588 3.753 652 3HD1 LEU 83 3HD1 LEU 83 11.327 16.113 4.699 653 1HD2 LEU 83 1HD2 LEU 83 9.236 16.654 5.599 654 2HD2 LEU 83 2HD2 LEU 83 8.067 17.371 4.466 655 3HD2 LEU 83 3HD2 LEU 83 7.914 15.662 4.940 656 H ALA 84 H ALA 84 6.954 14.344 3.538 657 HA ALA 84 HA ALA 84 7.134 11.797 2.411 658 1HB ALA 84 1HB ALA 84 9.655 12.778 3.078 659 2HB ALA 84 2HB ALA 84 9.204 11.794 4.491 660 3HB ALA 84 3HB ALA 84 9.219 11.065 2.867 661 H LYS 85 H LYS 85 7.488 13.772 5.420 662 HA LYS 85 HA LYS 85 6.158 11.818 7.011 663 1HB LYS 85 1HB LYS 85 7.056 14.667 7.467 664 2HB LYS 85 2HB LYS 85 6.142 13.781 8.671 665 1HG LYS 85 1HG LYS 85 8.082 12.839 9.369 666 2HG LYS 85 2HG LYS 85 8.158 11.973 7.847 667 1HD LYS 85 1HD LYS 85 9.466 13.746 6.807 668 2HD LYS 85 2HD LYS 85 9.199 14.822 8.163 669 1HE LYS 85 1HE LYS 85 11.431 13.909 8.405 670 2HE LYS 85 2HE LYS 85 10.437 13.176 9.648 671 1HZ LYS 85 1HZ LYS 85 10.257 11.626 7.350 672 2HZ LYS 85 2HZ LYS 85 11.840 11.906 7.636 673 3HZ LYS 85 3HZ LYS 85 10.910 11.223 8.791 674 H ALA 86 H ALA 86 4.144 12.595 8.357 675 HA ALA 86 HA ALA 86 2.008 13.184 8.403 676 1HB ALA 86 1HB ALA 86 1.935 15.380 7.910 677 2HB ALA 86 2HB ALA 86 3.243 15.218 6.714 678 3HB ALA 86 3HB ALA 86 1.556 14.913 6.235 679 H VAL 87 H VAL 87 3.472 11.279 6.239 680 HA VAL 87 HA VAL 87 1.211 9.903 5.496 681 HB VAL 87 HB VAL 87 0.557 11.779 4.158 682 1HG1 VAL 87 1HG1 VAL 87 1.914 13.078 2.900 683 2HG1 VAL 87 2HG1 VAL 87 3.204 12.368 3.899 684 3HG1 VAL 87 3HG1 VAL 87 2.852 11.694 2.290 685 1HG2 VAL 87 1HG2 VAL 87 0.184 9.505 3.242 686 2HG2 VAL 87 2HG2 VAL 87 0.366 10.736 1.969 687 3HG2 VAL 87 3HG2 VAL 87 1.715 9.636 2.343 688 H GLN 88 H GLN 88 2.228 7.967 5.673 689 HA GLN 88 HA GLN 88 4.519 7.591 3.933 690 1HB GLN 88 1HB GLN 88 4.617 7.666 6.821 691 2HB GLN 88 2HB GLN 88 4.961 6.028 6.299 692 1HG GLN 88 1HG GLN 88 6.650 6.989 4.645 693 2HG GLN 88 2HG GLN 88 6.382 8.564 5.365 694 1HE2 GLN 88 1HE2 GLN 88 7.191 9.061 7.345 695 2HE2 GLN 88 2HE2 GLN 88 8.288 8.060 8.237 696 H ILE 89 H ILE 89 1.553 6.895 3.950 697 HA ILE 89 HA ILE 89 0.259 5.192 3.410 698 HB ILE 89 HB ILE 89 2.846 4.563 2.318 699 1HG1 ILE 89 1HG1 ILE 89 0.127 3.729 1.293 700 2HG1 ILE 89 2HG1 ILE 89 0.687 5.387 1.207 701 1HG2 ILE 89 1HG2 ILE 89 2.525 2.161 1.937 702 2HG2 ILE 89 2HG2 ILE 89 2.735 2.536 3.665 703 3HG2 ILE 89 3HG2 ILE 89 1.114 2.178 3.023 704 1HD1 ILE 89 1HD1 ILE 89 1.276 4.358 -0.890 705 2HD1 ILE 89 2HD1 ILE 89 2.791 4.511 0.031 706 3HD1 ILE 89 3HD1 ILE 89 1.967 2.936 -0.072 707 H HIS 90 H HIS 90 -0.836 3.484 4.426 708 HA HIS 90 HA HIS 90 0.437 2.646 6.921 709 1HB HIS 90 1HB HIS 90 -1.743 3.983 6.917 710 2HB HIS 90 2HB HIS 90 -2.512 2.550 6.264 711 HD1 HIS 90 HD1 HIS 90 -2.207 4.143 9.356 712 HD2 HIS 90 HD2 HIS 90 -1.587 0.176 8.140 713 HE1 HIS 90 HE1 HIS 90 -2.384 2.714 11.462 714 HE2 HIS 90 HE2 HIS 90 -2.049 0.282 10.644 715 H PHE 91 H PHE 91 0.465 0.429 7.520 716 HA PHE 91 HA PHE 91 0.032 -1.351 5.234 717 1HB PHE 91 1HB PHE 91 2.277 -0.899 6.709 718 2HB PHE 91 2HB PHE 91 1.516 -2.038 7.802 719 HD1 PHE 91 HD1 PHE 91 0.281 -3.952 5.940 720 HD2 PHE 91 HD2 PHE 91 4.065 -2.040 5.772 721 HE1 PHE 91 HE1 PHE 91 1.184 -5.859 4.580 722 HE2 PHE 91 HE2 PHE 91 4.969 -3.947 4.412 723 HZ PHE 91 HZ PHE 91 3.517 -5.834 3.833 724 H VAL 92 H VAL 92 -1.553 -2.881 5.319 725 HA VAL 92 HA VAL 92 -2.485 -3.719 7.955 726 HB VAL 92 HB VAL 92 -4.083 -2.376 5.803 727 1HG1 VAL 92 1HG1 VAL 92 -6.151 -3.290 6.666 728 2HG1 VAL 92 2HG1 VAL 92 -5.091 -4.628 6.163 729 3HG1 VAL 92 3HG1 VAL 92 -5.270 -4.235 7.890 730 1HG2 VAL 92 1HG2 VAL 92 -3.525 -2.006 8.697 731 2HG2 VAL 92 2HG2 VAL 92 -3.816 -0.804 7.417 732 3HG2 VAL 92 3HG2 VAL 92 -5.187 -1.656 8.167 733 H LYS 93 H LYS 93 -3.441 -5.842 7.958 734 HA LYS 93 HA LYS 93 -3.033 -7.288 5.435 735 1HB LYS 93 1HB LYS 93 -2.517 -8.631 8.064 736 2HB LYS 93 2HB LYS 93 -1.889 -9.009 6.473 737 1HG LYS 93 1HG LYS 93 -0.704 -6.667 6.619 738 2HG LYS 93 2HG LYS 93 -1.051 -6.758 8.334 739 1HD LYS 93 1HD LYS 93 0.005 -9.251 7.967 740 2HD LYS 93 2HD LYS 93 0.846 -8.397 6.688 741 1HE LYS 93 1HE LYS 93 2.212 -7.356 8.177 742 2HE LYS 93 2HE LYS 93 0.850 -6.775 9.113 743 1HZ LYS 93 1HZ LYS 93 2.573 -8.633 9.934 744 2HZ LYS 93 2HZ LYS 93 1.074 -8.436 10.550 745 3HZ LYS 93 3HZ LYS 93 1.345 -9.572 9.409 746 H ASP 94 H ASP 94 -4.585 -7.365 8.716 747 HA ASP 94 HA ASP 94 -7.086 -7.863 7.514 748 1HB ASP 94 1HB ASP 94 -5.763 -10.093 9.129 749 2HB ASP 94 2HB ASP 94 -7.465 -10.065 8.717 750 H LYS 95 H LYS 95 -6.670 -5.747 9.005 751 HA LYS 95 HA LYS 95 -6.871 -6.340 11.828 752 1HB LYS 95 1HB LYS 95 -5.619 -4.360 10.482 753 2HB LYS 95 2HB LYS 95 -7.143 -3.559 10.808 754 1HG LYS 95 1HG LYS 95 -5.898 -3.047 12.739 755 2HG LYS 95 2HG LYS 95 -6.837 -4.429 13.267 756 1HD LYS 95 1HD LYS 95 -4.967 -5.679 13.600 757 2HD LYS 95 2HD LYS 95 -4.366 -5.327 11.992 758 1HE LYS 95 1HE LYS 95 -3.984 -2.895 13.305 759 2HE LYS 95 2HE LYS 95 -3.673 -4.056 14.581 760 1HZ LYS 95 1HZ LYS 95 -2.375 -5.119 12.502 761 2HZ LYS 95 2HZ LYS 95 -2.161 -3.523 12.225 762 3HZ LYS 95 3HZ LYS 95 -1.683 -4.177 13.643 763 H ALA 96 H ALA 96 -8.976 -7.558 10.569 764 HA ALA 96 HA ALA 96 -11.176 -6.180 11.766 765 1HB ALA 96 1HB ALA 96 -11.124 -6.572 8.745 766 2HB ALA 96 2HB ALA 96 -12.520 -6.017 9.701 767 3HB ALA 96 3HB ALA 96 -11.057 -5.009 9.595 768 H ILE 97 H ILE 97 -9.585 -8.713 11.949 769 HA ILE 97 HA ILE 97 -11.222 -10.767 10.844 770 HB ILE 97 HB ILE 97 -8.745 -10.856 11.332 771 1HG1 ILE 97 1HG1 ILE 97 -9.581 -13.276 12.639 772 2HG1 ILE 97 2HG1 ILE 97 -10.764 -12.857 11.417 773 1HG2 ILE 97 1HG2 ILE 97 -8.845 -9.911 13.607 774 2HG2 ILE 97 2HG2 ILE 97 -9.697 -11.371 14.163 775 3HG2 ILE 97 3HG2 ILE 97 -8.027 -11.491 13.560 776 1HD1 ILE 97 1HD1 ILE 97 -9.189 -12.936 9.659 777 2HD1 ILE 97 2HD1 ILE 97 -7.809 -12.707 10.760 778 3HD1 ILE 97 3HD1 ILE 97 -8.664 -14.268 10.717 779 H ASP 98 H ASP 98 -10.668 -9.460 14.186 780 HA ASP 98 HA ASP 98 -13.269 -9.408 14.896 781 1HB ASP 98 1HB ASP 98 -13.230 -11.514 16.478 782 2HB ASP 98 2HB ASP 98 -13.679 -11.712 14.796 783 H ASN 99 H ASN 99 -9.883 -10.185 15.708 784 HA ASN 99 HA ASN 99 -9.886 -8.242 17.746 785 1HB ASN 99 1HB ASN 99 -10.779 -10.598 18.737 786 2HB ASN 99 2HB ASN 99 -9.066 -10.963 18.782 787 1HD2 ASN 99 1HD2 ASN 99 -7.983 -10.399 20.506 788 2HD2 ASN 99 2HD2 ASN 99 -8.420 -9.196 21.673 789 H ALA 100 H ALA 100 -8.498 -8.671 15.265 790 HA ALA 100 HA ALA 100 -6.414 -8.407 14.516 791 1HB ALA 100 1HB ALA 100 -4.597 -8.067 15.968 792 2HB ALA 100 2HB ALA 100 -5.996 -7.579 16.954 793 3HB ALA 100 3HB ALA 100 -5.249 -9.175 17.199 794 H MET 101 H MET 101 -4.551 -9.808 13.840 795 HA MET 101 HA MET 101 -5.494 -12.443 13.517 796 1HB MET 101 1HB MET 101 -3.222 -10.730 12.599 797 2HB MET 101 2HB MET 101 -2.823 -12.434 12.689 798 1HG MET 101 1HG MET 101 -5.423 -12.262 11.479 799 2HG MET 101 2HG MET 101 -4.423 -11.054 10.697 800 1HE MET 101 1HE MET 101 -5.350 -13.995 8.948 801 2HE MET 101 2HE MET 101 -4.666 -15.326 9.911 802 3HE MET 101 3HE MET 101 -5.756 -14.144 10.674 Start of MODEL 15 1 H LYS 6 H LYS 6 -16.632 2.530 -11.561 2 HA LYS 6 HA LYS 6 -16.199 5.410 -11.666 3 1HB LYS 6 1HB LYS 6 -16.820 3.432 -9.488 4 2HB LYS 6 2HB LYS 6 -16.082 4.969 -9.083 5 1HG LYS 6 1HG LYS 6 -18.075 5.779 -10.825 6 2HG LYS 6 2HG LYS 6 -18.832 4.391 -10.070 7 1HD LYS 6 1HD LYS 6 -19.426 6.037 -8.537 8 2HD LYS 6 2HD LYS 6 -17.923 5.497 -7.817 9 1HE LYS 6 1HE LYS 6 -17.393 7.733 -7.874 10 2HE LYS 6 2HE LYS 6 -16.932 7.381 -9.527 11 1HZ LYS 6 1HZ LYS 6 -19.040 8.107 -10.273 12 2HZ LYS 6 2HZ LYS 6 -19.631 8.243 -8.756 13 3HZ LYS 6 3HZ LYS 6 -18.467 9.265 -9.273 14 H GLU 7 H GLU 7 -14.366 6.013 -9.848 15 HA GLU 7 HA GLU 7 -12.185 4.311 -9.697 16 1HB GLU 7 1HB GLU 7 -11.309 4.523 -11.780 17 2HB GLU 7 2HB GLU 7 -12.382 5.846 -12.189 18 1HG GLU 7 1HG GLU 7 -10.911 7.431 -10.928 19 2HG GLU 7 2HG GLU 7 -9.839 6.108 -10.514 20 H ARG 8 H ARG 8 -12.966 7.824 -10.244 21 HA ARG 8 HA ARG 8 -12.356 9.612 -9.171 22 1HB ARG 8 1HB ARG 8 -13.141 7.720 -6.929 23 2HB ARG 8 2HB ARG 8 -12.601 9.340 -6.535 24 1HG ARG 8 1HG ARG 8 -14.399 9.863 -8.572 25 2HG ARG 8 2HG ARG 8 -15.130 8.451 -7.834 26 1HD ARG 8 1HD ARG 8 -15.913 9.736 -6.135 27 2HD ARG 8 2HD ARG 8 -14.272 10.154 -5.685 28 HE ARG 8 HE ARG 8 -15.086 11.713 -7.973 29 1HH1 ARG 8 1HH1 ARG 8 -15.568 11.454 -4.497 30 2HH1 ARG 8 2HH1 ARG 8 -15.956 13.130 -4.297 31 1HH2 ARG 8 1HH2 ARG 8 -15.597 13.924 -7.710 32 2HH2 ARG 8 2HH2 ARG 8 -15.973 14.545 -6.137 33 H LEU 9 H LEU 9 -10.990 10.287 -6.839 34 HA LEU 9 HA LEU 9 -8.337 9.873 -7.554 35 1HB LEU 9 1HB LEU 9 -7.831 11.270 -5.839 36 2HB LEU 9 2HB LEU 9 -9.511 11.688 -6.112 37 HG LEU 9 HG LEU 9 -8.945 9.580 -4.077 38 1HD1 LEU 9 1HD1 LEU 9 -8.813 12.306 -2.981 39 2HD1 LEU 9 2HD1 LEU 9 -7.890 10.844 -2.558 40 3HD1 LEU 9 3HD1 LEU 9 -7.401 11.832 -3.956 41 1HD2 LEU 9 1HD2 LEU 9 -11.180 11.019 -4.916 42 2HD2 LEU 9 2HD2 LEU 9 -11.045 9.985 -3.474 43 3HD2 LEU 9 3HD2 LEU 9 -10.747 11.735 -3.345 44 H GLU 10 H GLU 10 -10.593 7.909 -5.719 45 HA GLU 10 HA GLU 10 -8.898 6.553 -4.078 46 1HB GLU 10 1HB GLU 10 -11.570 6.371 -4.808 47 2HB GLU 10 2HB GLU 10 -10.933 4.849 -5.399 48 1HG GLU 10 1HG GLU 10 -10.458 4.055 -3.276 49 2HG GLU 10 2HG GLU 10 -10.025 5.638 -2.660 50 H ASN 11 H ASN 11 -9.976 5.474 -7.389 51 HA ASN 11 HA ASN 11 -8.235 3.362 -7.530 52 1HB ASN 11 1HB ASN 11 -10.121 4.667 -9.237 53 2HB ASN 11 2HB ASN 11 -8.629 4.610 -10.153 54 1HD2 ASN 11 1HD2 ASN 11 -8.634 2.968 -11.474 55 2HD2 ASN 11 2HD2 ASN 11 -9.152 1.349 -11.141 56 H ASP 12 H ASP 12 -7.829 6.855 -8.072 57 HA ASP 12 HA ASP 12 -5.587 6.807 -9.664 58 1HB ASP 12 1HB ASP 12 -7.156 8.758 -8.643 59 2HB ASP 12 2HB ASP 12 -5.842 8.882 -7.491 60 H ILE 13 H ILE 13 -6.000 6.936 -6.053 61 HA ILE 13 HA ILE 13 -3.292 7.055 -5.417 62 HB ILE 13 HB ILE 13 -5.684 6.016 -3.901 63 1HG1 ILE 13 1HG1 ILE 13 -4.588 8.433 -2.853 64 2HG1 ILE 13 2HG1 ILE 13 -4.767 8.643 -4.584 65 1HG2 ILE 13 1HG2 ILE 13 -2.806 6.060 -3.191 66 2HG2 ILE 13 2HG2 ILE 13 -3.936 6.670 -1.958 67 3HG2 ILE 13 3HG2 ILE 13 -4.127 5.022 -2.602 68 1HD1 ILE 13 1HD1 ILE 13 -7.135 7.347 -3.922 69 2HD1 ILE 13 2HD1 ILE 13 -6.845 8.376 -2.499 70 3HD1 ILE 13 3HD1 ILE 13 -6.949 9.106 -4.119 71 H ILE 14 H ILE 14 -5.529 4.187 -5.467 72 HA ILE 14 HA ILE 14 -3.691 2.264 -4.893 73 HB ILE 14 HB ILE 14 -6.218 2.350 -6.471 74 1HG1 ILE 14 1HG1 ILE 14 -6.847 0.666 -4.685 75 2HG1 ILE 14 2HG1 ILE 14 -5.294 0.978 -3.934 76 1HG2 ILE 14 1HG2 ILE 14 -4.908 0.805 -7.782 77 2HG2 ILE 14 2HG2 ILE 14 -4.395 -0.065 -6.316 78 3HG2 ILE 14 3HG2 ILE 14 -6.102 -0.100 -6.821 79 1HD1 ILE 14 1HD1 ILE 14 -5.843 3.381 -3.711 80 2HD1 ILE 14 2HD1 ILE 14 -7.395 3.111 -4.538 81 3HD1 ILE 14 3HD1 ILE 14 -7.099 2.380 -2.942 82 H ARG 15 H ARG 15 -4.437 3.733 -8.113 83 HA ARG 15 HA ARG 15 -2.673 2.104 -9.497 84 1HB ARG 15 1HB ARG 15 -4.426 3.392 -10.644 85 2HB ARG 15 2HB ARG 15 -3.740 4.907 -10.093 86 1HG ARG 15 1HG ARG 15 -1.689 4.505 -11.424 87 2HG ARG 15 2HG ARG 15 -2.285 2.931 -11.914 88 1HD ARG 15 1HD ARG 15 -3.086 4.057 -13.746 89 2HD ARG 15 2HD ARG 15 -4.406 4.500 -12.682 90 HE ARG 15 HE ARG 15 -3.622 6.700 -12.686 91 1HH1 ARG 15 1HH1 ARG 15 -1.004 4.562 -13.666 92 2HH1 ARG 15 2HH1 ARG 15 0.084 5.857 -14.040 93 1HH2 ARG 15 1HH2 ARG 15 -2.187 8.408 -13.180 94 2HH2 ARG 15 2HH2 ARG 15 -0.593 8.059 -13.762 95 H LEU 16 H LEU 16 -2.227 4.915 -7.434 96 HA LEU 16 HA LEU 16 0.158 5.900 -8.510 97 1HB LEU 16 1HB LEU 16 -1.584 6.591 -6.504 98 2HB LEU 16 2HB LEU 16 -0.164 6.102 -5.601 99 HG LEU 16 HG LEU 16 1.196 7.697 -6.984 100 1HD1 LEU 16 1HD1 LEU 16 -0.938 9.414 -7.830 101 2HD1 LEU 16 2HD1 LEU 16 0.368 8.678 -8.790 102 3HD1 LEU 16 3HD1 LEU 16 -1.162 7.801 -8.548 103 1HD2 LEU 16 1HD2 LEU 16 0.611 9.617 -5.710 104 2HD2 LEU 16 2HD2 LEU 16 -1.069 9.063 -5.515 105 3HD2 LEU 16 3HD2 LEU 16 0.255 8.195 -4.701 106 H ILE 17 H ILE 17 -0.374 3.699 -5.662 107 HA ILE 17 HA ILE 17 2.284 3.137 -5.224 108 HB ILE 17 HB ILE 17 -0.320 1.895 -4.572 109 1HG1 ILE 17 1HG1 ILE 17 0.697 3.638 -3.173 110 2HG1 ILE 17 2HG1 ILE 17 0.496 2.130 -2.303 111 1HG2 ILE 17 1HG2 ILE 17 0.782 -0.058 -3.502 112 2HG2 ILE 17 2HG2 ILE 17 0.840 -0.091 -5.281 113 3HG2 ILE 17 3HG2 ILE 17 2.287 0.368 -4.351 114 1HD1 ILE 17 1HD1 ILE 17 3.098 2.236 -3.662 115 2HD1 ILE 17 2HD1 ILE 17 2.874 3.601 -2.542 116 3HD1 ILE 17 3HD1 ILE 17 2.729 1.929 -1.948 117 H ASN 18 H ASN 18 -0.027 1.755 -7.587 118 HA ASN 18 HA ASN 18 1.517 -0.407 -8.322 119 1HB ASN 18 1HB ASN 18 -0.942 0.251 -8.970 120 2HB ASN 18 2HB ASN 18 -0.217 1.186 -10.263 121 1HD2 ASN 18 1HD2 ASN 18 -1.560 -1.689 -9.497 122 2HD2 ASN 18 2HD2 ASN 18 -0.872 -2.727 -10.701 123 H ARG 19 H ARG 19 1.392 3.032 -9.418 124 HA ARG 19 HA ARG 19 2.934 2.842 -11.644 125 1HB ARG 19 1HB ARG 19 1.873 4.908 -10.006 126 2HB ARG 19 2HB ARG 19 3.589 5.253 -10.097 127 1HG ARG 19 1HG ARG 19 2.403 4.470 -12.704 128 2HG ARG 19 2HG ARG 19 1.706 5.931 -12.032 129 1HD ARG 19 1HD ARG 19 3.913 6.985 -11.851 130 2HD ARG 19 2HD ARG 19 4.718 5.490 -12.283 131 HE ARG 19 HE ARG 19 4.189 5.863 -14.546 132 1HH1 ARG 19 1HH1 ARG 19 2.354 8.072 -12.513 133 2HH1 ARG 19 2HH1 ARG 19 1.786 9.027 -13.842 134 1HH2 ARG 19 1HH2 ARG 19 3.439 7.122 -16.300 135 2HH2 ARG 19 2HH2 ARG 19 2.407 8.482 -16.011 136 H THR 20 H THR 20 3.882 3.036 -8.180 137 HA THR 20 HA THR 20 6.683 3.272 -8.781 138 HB THR 20 HB THR 20 4.926 3.706 -6.575 139 HG1 THR 20 HG1 THR 20 6.718 4.980 -6.295 140 1HG2 THR 20 1HG2 THR 20 6.369 2.590 -4.780 141 2HG2 THR 20 2HG2 THR 20 5.323 1.464 -5.677 142 3HG2 THR 20 3HG2 THR 20 7.057 1.568 -6.064 143 H VAL 21 H VAL 21 4.375 0.652 -8.012 144 HA VAL 21 HA VAL 21 6.410 -1.287 -7.622 145 HB VAL 21 HB VAL 21 3.450 -1.464 -8.207 146 1HG1 VAL 21 1HG1 VAL 21 5.473 -3.630 -7.598 147 2HG1 VAL 21 2HG1 VAL 21 3.735 -3.831 -7.274 148 3HG1 VAL 21 3HG1 VAL 21 4.303 -3.544 -8.936 149 1HG2 VAL 21 1HG2 VAL 21 3.079 -1.468 -5.954 150 2HG2 VAL 21 2HG2 VAL 21 4.646 -2.225 -5.581 151 3HG2 VAL 21 3HG2 VAL 21 4.567 -0.491 -5.976 152 H ILE 22 H ILE 22 5.517 0.476 -10.334 153 HA ILE 22 HA ILE 22 5.222 -1.294 -12.375 154 HB ILE 22 HB ILE 22 6.505 1.391 -12.119 155 1HG1 ILE 22 1HG1 ILE 22 4.075 1.242 -12.088 156 2HG1 ILE 22 2HG1 ILE 22 4.630 2.067 -13.532 157 1HG2 ILE 22 1HG2 ILE 22 7.928 0.572 -13.774 158 2HG2 ILE 22 2HG2 ILE 22 6.653 -0.420 -14.521 159 3HG2 ILE 22 3HG2 ILE 22 6.617 1.352 -14.692 160 1HD1 ILE 22 1HD1 ILE 22 4.556 -0.678 -14.244 161 2HD1 ILE 22 2HD1 ILE 22 3.072 -0.385 -13.307 162 3HD1 ILE 22 3HD1 ILE 22 3.419 0.593 -14.753 163 H HIS 23 H HIS 23 8.416 0.041 -11.251 164 HA HIS 23 HA HIS 23 9.571 -2.565 -11.542 165 1HB HIS 23 1HB HIS 23 9.510 -1.278 -13.859 166 2HB HIS 23 2HB HIS 23 10.896 -0.441 -13.189 167 HD1 HIS 23 HD1 HIS 23 10.013 -4.166 -12.930 168 HD2 HIS 23 HD2 HIS 23 13.014 -1.648 -14.430 169 HE1 HIS 23 HE1 HIS 23 11.866 -5.695 -13.790 170 HE2 HIS 23 HE2 HIS 23 13.657 -4.092 -14.748 171 H GLU 24 H GLU 24 9.065 -0.836 -9.320 172 HA GLU 24 HA GLU 24 11.781 0.067 -8.750 173 1HB GLU 24 1HB GLU 24 9.291 0.987 -7.271 174 2HB GLU 24 2HB GLU 24 10.877 1.733 -7.279 175 1HG GLU 24 1HG GLU 24 9.166 1.466 -9.791 176 2HG GLU 24 2HG GLU 24 9.099 2.869 -8.742 177 H ILE 25 H ILE 25 9.300 -2.230 -8.052 178 HA ILE 25 HA ILE 25 10.424 -2.791 -5.413 179 HB ILE 25 HB ILE 25 7.968 -3.961 -6.717 180 1HG1 ILE 25 1HG1 ILE 25 7.909 -1.441 -6.454 181 2HG1 ILE 25 2HG1 ILE 25 6.626 -2.337 -5.666 182 1HG2 ILE 25 1HG2 ILE 25 8.291 -5.412 -5.020 183 2HG2 ILE 25 2HG2 ILE 25 9.317 -4.286 -4.100 184 3HG2 ILE 25 3HG2 ILE 25 7.546 -4.113 -4.057 185 1HD1 ILE 25 1HD1 ILE 25 8.968 -0.891 -4.440 186 2HD1 ILE 25 2HD1 ILE 25 7.262 -0.920 -3.931 187 3HD1 ILE 25 3HD1 ILE 25 8.316 -2.314 -3.592 188 H TYR 26 H TYR 26 12.453 -3.405 -6.735 189 HA TYR 26 HA TYR 26 12.762 -5.356 -8.494 190 1HB TYR 26 1HB TYR 26 14.100 -4.584 -5.875 191 2HB TYR 26 2HB TYR 26 14.694 -6.033 -6.661 192 HD1 TYR 26 HD1 TYR 26 14.881 -2.468 -6.535 193 HD2 TYR 26 HD2 TYR 26 15.454 -5.817 -9.135 194 HE1 TYR 26 HE1 TYR 26 16.353 -1.051 -8.049 195 HE2 TYR 26 HE2 TYR 26 16.924 -4.390 -10.639 196 HH TYR 26 HH TYR 26 18.394 -1.826 -9.812 197 H ASN 27 H ASN 27 12.809 -7.628 -8.633 198 HA ASN 27 HA ASN 27 12.635 -9.719 -7.895 199 1HB ASN 27 1HB ASN 27 12.963 -8.694 -5.455 200 2HB ASN 27 2HB ASN 27 11.226 -8.895 -5.330 201 1HD2 ASN 27 1HD2 ASN 27 10.873 -10.586 -4.104 202 2HD2 ASN 27 2HD2 ASN 27 11.572 -12.162 -4.271 203 H GLU 28 H GLU 28 10.243 -7.173 -7.792 204 HA GLU 28 HA GLU 28 8.084 -7.075 -8.088 205 1HB GLU 28 1HB GLU 28 9.210 -8.447 -10.232 206 2HB GLU 28 2HB GLU 28 7.855 -9.474 -9.806 207 1HG GLU 28 1HG GLU 28 6.265 -7.848 -10.326 208 2HG GLU 28 2HG GLU 28 7.327 -6.516 -9.913 209 H THR 29 H THR 29 6.904 -7.491 -6.247 210 HA THR 29 HA THR 29 5.862 -10.189 -5.956 211 HB THR 29 HB THR 29 7.883 -8.902 -4.172 212 HG1 THR 29 HG1 THR 29 7.894 -11.013 -5.431 213 1HG2 THR 29 1HG2 THR 29 6.854 -10.299 -2.230 214 2HG2 THR 29 2HG2 THR 29 6.102 -8.719 -2.556 215 3HG2 THR 29 3HG2 THR 29 5.326 -10.211 -3.138 216 H VAL 30 H VAL 30 5.960 -7.243 -3.856 217 HA VAL 30 HA VAL 30 3.437 -7.287 -2.983 218 HB VAL 30 HB VAL 30 3.607 -4.932 -2.646 219 1HG1 VAL 30 1HG1 VAL 30 6.451 -5.193 -2.377 220 2HG1 VAL 30 2HG1 VAL 30 5.192 -5.298 -1.123 221 3HG1 VAL 30 3HG1 VAL 30 5.692 -6.760 -2.008 222 1HG2 VAL 30 1HG2 VAL 30 4.128 -3.952 -4.691 223 2HG2 VAL 30 2HG2 VAL 30 5.630 -3.723 -3.764 224 3HG2 VAL 30 3HG2 VAL 30 5.519 -5.026 -4.971 225 H LYS 31 H LYS 31 4.517 -6.581 -6.285 226 HA LYS 31 HA LYS 31 2.343 -5.247 -7.277 227 1HB LYS 31 1HB LYS 31 4.524 -5.782 -8.427 228 2HB LYS 31 2HB LYS 31 3.910 -7.394 -8.731 229 1HG LYS 31 1HG LYS 31 1.806 -5.719 -9.565 230 2HG LYS 31 2HG LYS 31 3.243 -4.858 -10.076 231 1HD LYS 31 1HD LYS 31 3.864 -6.494 -11.597 232 2HD LYS 31 2HD LYS 31 3.241 -7.804 -10.613 233 1HE LYS 31 1HE LYS 31 0.884 -6.583 -11.218 234 2HE LYS 31 2HE LYS 31 1.810 -6.086 -12.620 235 1HZ LYS 31 1HZ LYS 31 1.621 -8.873 -11.716 236 2HZ LYS 31 2HZ LYS 31 0.663 -8.225 -12.868 237 3HZ LYS 31 3HZ LYS 31 2.273 -8.339 -13.115 238 H THR 32 H THR 32 2.547 -8.491 -6.010 239 HA THR 32 HA THR 32 0.206 -9.420 -7.421 240 HB THR 32 HB THR 32 2.029 -10.981 -6.872 241 HG1 THR 32 HG1 THR 32 0.510 -12.462 -6.118 242 1HG2 THR 32 1HG2 THR 32 2.028 -9.568 -4.340 243 2HG2 THR 32 2HG2 THR 32 1.626 -11.275 -4.035 244 3HG2 THR 32 3HG2 THR 32 3.136 -10.853 -4.879 245 H GLY 33 H GLY 33 1.016 -7.940 -4.283 246 1HA GLY 33 1HA GLY 33 -0.976 -8.464 -2.628 247 2HA GLY 33 2HA GLY 33 -0.431 -6.823 -2.913 248 H HIS 34 H HIS 34 -1.578 -5.455 -4.466 249 HA HIS 34 HA HIS 34 -3.287 -4.869 -5.783 250 1HB HIS 34 1HB HIS 34 -3.506 -7.553 -6.080 251 2HB HIS 34 2HB HIS 34 -5.012 -7.227 -5.245 252 HD1 HIS 34 HD1 HIS 34 -3.684 -7.418 -8.561 253 HD2 HIS 34 HD2 HIS 34 -6.460 -4.919 -6.652 254 HE1 HIS 34 HE1 HIS 34 -5.069 -6.342 -10.414 255 HE2 HIS 34 HE2 HIS 34 -6.794 -4.861 -9.178 256 H VAL 35 H VAL 35 -3.073 -3.600 -3.577 257 HA VAL 35 HA VAL 35 -4.242 -3.588 -1.370 258 HB VAL 35 HB VAL 35 -5.081 -1.568 -3.459 259 1HG1 VAL 35 1HG1 VAL 35 -6.099 -1.790 -0.925 260 2HG1 VAL 35 2HG1 VAL 35 -4.721 -0.694 -0.664 261 3HG1 VAL 35 3HG1 VAL 35 -5.981 -0.272 -1.848 262 1HG2 VAL 35 1HG2 VAL 35 -2.782 -1.445 -3.545 263 2HG2 VAL 35 2HG2 VAL 35 -3.119 -0.306 -2.219 264 3HG2 VAL 35 3HG2 VAL 35 -2.578 -1.962 -1.854 265 H THR 36 H THR 36 -6.584 -2.820 -4.037 266 HA THR 36 HA THR 36 -8.749 -3.293 -4.254 267 HB THR 36 HB THR 36 -7.581 -5.584 -4.533 268 HG1 THR 36 HG1 THR 36 -9.694 -6.346 -4.807 269 1HG2 THR 36 1HG2 THR 36 -8.686 -7.133 -2.620 270 2HG2 THR 36 2HG2 THR 36 -7.047 -6.466 -2.426 271 3HG2 THR 36 3HG2 THR 36 -8.430 -5.672 -1.636 272 H HIS 37 H HIS 37 -7.821 -1.897 -1.798 273 HA HIS 37 HA HIS 37 -10.312 -1.893 -0.500 274 1HB HIS 37 1HB HIS 37 -8.448 -3.831 0.470 275 2HB HIS 37 2HB HIS 37 -8.577 -2.563 1.673 276 HD1 HIS 37 HD1 HIS 37 -10.365 -5.488 0.298 277 HD2 HIS 37 HD2 HIS 37 -11.303 -2.143 2.649 278 HE1 HIS 37 HE1 HIS 37 -12.611 -5.995 1.398 279 HE2 HIS 37 HE2 HIS 37 -13.109 -3.927 2.872 280 H VAL 38 H VAL 38 -7.042 -1.473 0.976 281 HA VAL 38 HA VAL 38 -5.952 0.326 1.650 282 HB VAL 38 HB VAL 38 -7.027 1.002 -0.912 283 1HG1 VAL 38 1HG1 VAL 38 -6.737 3.398 0.930 284 2HG1 VAL 38 2HG1 VAL 38 -7.111 3.417 -0.810 285 3HG1 VAL 38 3HG1 VAL 38 -8.288 2.748 0.347 286 1HG2 VAL 38 1HG2 VAL 38 -4.557 0.990 0.484 287 2HG2 VAL 38 2HG2 VAL 38 -4.837 1.227 -1.258 288 3HG2 VAL 38 3HG2 VAL 38 -4.777 2.632 -0.167 289 H LYS 39 H LYS 39 -6.131 2.023 3.201 290 HA LYS 39 HA LYS 39 -8.897 2.673 3.935 291 1HB LYS 39 1HB LYS 39 -6.966 1.138 5.443 292 2HB LYS 39 2HB LYS 39 -7.356 2.614 6.302 293 1HG LYS 39 1HG LYS 39 -9.534 0.860 5.098 294 2HG LYS 39 2HG LYS 39 -8.886 0.542 6.695 295 1HD LYS 39 1HD LYS 39 -10.655 1.945 7.263 296 2HD LYS 39 2HD LYS 39 -9.380 3.135 7.088 297 1HE LYS 39 1HE LYS 39 -10.220 3.958 5.072 298 2HE LYS 39 2HE LYS 39 -10.911 2.418 4.600 299 1HZ LYS 39 1HZ LYS 39 -12.013 4.449 6.345 300 2HZ LYS 39 2HZ LYS 39 -12.755 3.541 5.208 301 3HZ LYS 39 3HZ LYS 39 -12.400 2.895 6.666 302 H LEU 40 H LEU 40 -8.712 4.681 2.818 303 HA LEU 40 HA LEU 40 -6.530 6.413 3.257 304 1HB LEU 40 1HB LEU 40 -9.120 6.450 1.863 305 2HB LEU 40 2HB LEU 40 -8.588 8.016 2.442 306 HG LEU 40 HG LEU 40 -7.959 7.381 0.063 307 1HD1 LEU 40 1HD1 LEU 40 -6.634 9.131 0.378 308 2HD1 LEU 40 2HD1 LEU 40 -6.456 8.746 2.107 309 3HD1 LEU 40 3HD1 LEU 40 -5.353 8.018 0.915 310 1HD2 LEU 40 1HD2 LEU 40 -7.120 5.305 -0.128 311 2HD2 LEU 40 2HD2 LEU 40 -5.580 6.090 0.296 312 3HD2 LEU 40 3HD2 LEU 40 -6.535 5.268 1.553 313 H SER 41 H SER 41 -6.132 6.604 5.492 314 HA SER 41 HA SER 41 -8.310 7.482 7.139 315 1HB SER 41 1HB SER 41 -5.389 6.828 7.678 316 2HB SER 41 2HB SER 41 -6.428 7.501 8.918 317 HG SER 41 HG SER 41 -6.172 4.960 8.408 318 H ASP 42 H ASP 42 -8.684 9.604 7.769 319 HA ASP 42 HA ASP 42 -8.259 11.720 8.206 320 1HB ASP 42 1HB ASP 42 -5.661 10.819 8.122 321 2HB ASP 42 2HB ASP 42 -5.649 11.918 6.758 322 H ASP 43 H ASP 43 -6.342 11.029 5.174 323 HA ASP 43 HA ASP 43 -8.417 11.891 3.497 324 1HB ASP 43 1HB ASP 43 -6.922 13.989 4.609 325 2HB ASP 43 2HB ASP 43 -6.141 13.731 3.062 326 H LEU 44 H LEU 44 -4.811 11.754 3.965 327 HA LEU 44 HA LEU 44 -4.462 9.641 2.179 328 1HB LEU 44 1HB LEU 44 -3.070 11.191 0.536 329 2HB LEU 44 2HB LEU 44 -4.743 10.751 0.257 330 HG LEU 44 HG LEU 44 -5.443 12.918 1.291 331 1HD1 LEU 44 1HD1 LEU 44 -4.032 14.403 2.201 332 2HD1 LEU 44 2HD1 LEU 44 -2.922 13.017 2.331 333 3HD1 LEU 44 3HD1 LEU 44 -2.785 14.141 0.958 334 1HD2 LEU 44 1HD2 LEU 44 -5.507 13.785 -0.759 335 2HD2 LEU 44 2HD2 LEU 44 -3.734 13.911 -0.852 336 3HD2 LEU 44 3HD2 LEU 44 -4.540 12.381 -1.274 337 H LEU 45 H LEU 45 -3.771 10.664 4.875 338 HA LEU 45 HA LEU 45 -0.870 10.940 4.573 339 1HB LEU 45 1HB LEU 45 -2.868 12.049 6.390 340 2HB LEU 45 2HB LEU 45 -1.501 11.351 7.234 341 HG LEU 45 HG LEU 45 -1.361 13.492 5.092 342 1HD1 LEU 45 1HD1 LEU 45 -2.070 14.727 6.856 343 2HD1 LEU 45 2HD1 LEU 45 -1.476 13.561 8.063 344 3HD1 LEU 45 3HD1 LEU 45 -0.339 14.674 7.265 345 1HD2 LEU 45 1HD2 LEU 45 1.065 13.329 6.528 346 2HD2 LEU 45 2HD2 LEU 45 0.645 11.668 6.045 347 3HD2 LEU 45 3HD2 LEU 45 0.770 12.948 4.814 348 H HIS 46 H HIS 46 -3.511 8.902 5.772 349 HA HIS 46 HA HIS 46 -1.469 6.948 6.539 350 1HB HIS 46 1HB HIS 46 -3.796 7.972 8.068 351 2HB HIS 46 2HB HIS 46 -3.574 6.235 8.101 352 HD1 HIS 46 HD1 HIS 46 -2.131 5.448 9.972 353 HD2 HIS 46 HD2 HIS 46 -1.123 9.330 8.743 354 HE1 HIS 46 HE1 HIS 46 -0.261 6.226 11.523 355 HE2 HIS 46 HE2 HIS 46 0.354 8.596 10.685 356 H VAL 47 H VAL 47 -1.552 5.949 4.473 357 HA VAL 47 HA VAL 47 -4.175 4.923 3.686 358 HB VAL 47 HB VAL 47 -1.550 5.281 2.242 359 1HG1 VAL 47 1HG1 VAL 47 -4.059 4.144 0.992 360 2HG1 VAL 47 2HG1 VAL 47 -2.411 4.207 0.323 361 3HG1 VAL 47 3HG1 VAL 47 -2.782 3.109 1.673 362 1HG2 VAL 47 1HG2 VAL 47 -2.614 7.338 2.202 363 2HG2 VAL 47 2HG2 VAL 47 -3.227 6.590 0.708 364 3HG2 VAL 47 3HG2 VAL 47 -4.242 6.619 2.170 365 H THR 48 H THR 48 -4.661 2.987 4.594 366 HA THR 48 HA THR 48 -2.451 1.129 5.093 367 HB THR 48 HB THR 48 -5.212 1.633 6.224 368 HG1 THR 48 HG1 THR 48 -2.719 0.672 7.396 369 1HG2 THR 48 1HG2 THR 48 -4.332 -0.662 7.518 370 2HG2 THR 48 2HG2 THR 48 -5.624 -0.636 6.293 371 3HG2 THR 48 3HG2 THR 48 -3.956 -1.039 5.819 372 H VAL 49 H VAL 49 -1.954 0.065 3.238 373 HA VAL 49 HA VAL 49 -4.081 -0.792 1.497 374 HB VAL 49 HB VAL 49 -2.282 -1.610 0.103 375 1HG1 VAL 49 1HG1 VAL 49 -2.254 1.151 1.201 376 2HG1 VAL 49 2HG1 VAL 49 -0.838 0.673 0.234 377 3HG1 VAL 49 3HG1 VAL 49 -2.470 0.578 -0.470 378 1HG2 VAL 49 1HG2 VAL 49 -0.019 -1.729 0.717 379 2HG2 VAL 49 2HG2 VAL 49 -0.256 -0.705 2.153 380 3HG2 VAL 49 3HG2 VAL 49 -0.883 -2.371 2.134 381 H TYR 50 H TYR 50 -4.913 -2.858 1.292 382 HA TYR 50 HA TYR 50 -4.116 -4.705 3.416 383 1HB TYR 50 1HB TYR 50 -6.490 -4.381 1.482 384 2HB TYR 50 2HB TYR 50 -6.354 -5.762 2.552 385 HD1 TYR 50 HD1 TYR 50 -5.967 -2.038 2.933 386 HD2 TYR 50 HD2 TYR 50 -7.749 -5.644 4.390 387 HE1 TYR 50 HE1 TYR 50 -7.122 -0.729 4.781 388 HE2 TYR 50 HE2 TYR 50 -8.899 -4.323 6.233 389 HH TYR 50 HH TYR 50 -9.582 -1.496 6.262 390 H LEU 51 H LEU 51 -3.394 -4.074 0.184 391 HA LEU 51 HA LEU 51 -2.594 -5.266 -1.498 392 1HB LEU 51 1HB LEU 51 -1.730 -7.471 0.303 393 2HB LEU 51 2HB LEU 51 -0.868 -6.671 -0.997 394 HG LEU 51 HG LEU 51 -1.358 -5.585 1.788 395 1HD1 LEU 51 1HD1 LEU 51 1.333 -6.079 0.551 396 2HD1 LEU 51 2HD1 LEU 51 0.866 -5.996 2.266 397 3HD1 LEU 51 3HD1 LEU 51 0.422 -7.417 1.291 398 1HD2 LEU 51 1HD2 LEU 51 -1.420 -3.634 0.570 399 2HD2 LEU 51 2HD2 LEU 51 0.325 -3.793 0.881 400 3HD2 LEU 51 3HD2 LEU 51 -0.343 -4.259 -0.701 401 H ASP 52 H ASP 52 -3.496 -8.083 0.587 402 HA ASP 52 HA ASP 52 -5.121 -9.541 0.385 403 1HB ASP 52 1HB ASP 52 -6.415 -7.512 -0.744 404 2HB ASP 52 2HB ASP 52 -6.096 -8.373 -2.237 405 H CYS 53 H CYS 53 -2.515 -8.981 -1.503 406 HA CYS 53 HA CYS 53 -1.881 -9.860 -3.588 407 1HB CYS 53 1HB CYS 53 -0.383 -10.614 -1.906 408 2HB CYS 53 2HB CYS 53 -1.518 -11.803 -1.299 409 HG CYS 53 HG CYS 53 -0.872 -13.616 -2.673 410 H TYR 54 H TYR 54 -2.742 -13.044 -2.319 411 HA TYR 54 HA TYR 54 -5.062 -13.212 -4.080 412 1HB TYR 54 1HB TYR 54 -2.333 -14.452 -4.324 413 2HB TYR 54 2HB TYR 54 -3.642 -15.609 -4.468 414 HD1 TYR 54 HD1 TYR 54 -2.608 -12.263 -5.820 415 HD2 TYR 54 HD2 TYR 54 -4.570 -15.991 -6.567 416 HE1 TYR 54 HE1 TYR 54 -2.920 -11.619 -8.259 417 HE2 TYR 54 HE2 TYR 54 -4.875 -15.334 -9.004 418 HH TYR 54 HH TYR 54 -5.046 -13.011 -10.232 419 H ASN 55 H ASN 55 -5.956 -13.144 -1.774 420 HA ASN 55 HA ASN 55 -7.133 -14.292 -0.328 421 1HB ASN 55 1HB ASN 55 -6.425 -16.370 -2.118 422 2HB ASN 55 2HB ASN 55 -5.928 -16.979 -0.552 423 1HD2 ASN 55 1HD2 ASN 55 -7.380 -18.009 0.578 424 2HD2 ASN 55 2HD2 ASN 55 -9.102 -17.856 0.470 425 H ARG 56 H ARG 56 -4.130 -13.382 -0.224 426 HA ARG 56 HA ARG 56 -2.602 -13.169 1.290 427 1HB ARG 56 1HB ARG 56 -4.847 -14.284 2.907 428 2HB ARG 56 2HB ARG 56 -3.267 -14.514 3.628 429 1HG ARG 56 1HG ARG 56 -3.146 -12.327 4.223 430 2HG ARG 56 2HG ARG 56 -3.442 -11.810 2.575 431 1HD ARG 56 1HD ARG 56 -5.232 -10.919 3.968 432 2HD ARG 56 2HD ARG 56 -5.921 -12.166 2.947 433 HE ARG 56 HE ARG 56 -5.348 -12.416 5.864 434 1HH1 ARG 56 1HH1 ARG 56 -6.704 -13.783 2.919 435 2HH1 ARG 56 2HH1 ARG 56 -7.584 -15.024 3.748 436 1HH2 ARG 56 1HH2 ARG 56 -6.508 -14.053 6.958 437 2HH2 ARG 56 2HH2 ARG 56 -7.472 -15.178 6.061 438 H GLU 57 H GLU 57 -2.804 -15.570 -0.531 439 HA GLU 57 HA GLU 57 -1.700 -17.709 1.004 440 1HB GLU 57 1HB GLU 57 -2.110 -17.355 -1.998 441 2HB GLU 57 2HB GLU 57 -1.531 -18.833 -1.255 442 1HG GLU 57 1HG GLU 57 -3.801 -18.282 0.260 443 2HG GLU 57 2HG GLU 57 -4.278 -17.707 -1.325 444 H GLN 58 H GLN 58 -0.562 -14.934 -0.821 445 HA GLN 58 HA GLN 58 2.146 -15.979 -0.523 446 1HB GLN 58 1HB GLN 58 0.796 -14.724 -2.863 447 2HB GLN 58 2HB GLN 58 2.406 -14.118 -2.531 448 1HG GLN 58 1HG GLN 58 2.062 -17.098 -2.431 449 2HG GLN 58 2HG GLN 58 1.936 -16.355 -4.013 450 1HE2 GLN 58 1HE2 GLN 58 3.657 -14.313 -3.980 451 2HE2 GLN 58 2HE2 GLN 58 5.291 -14.836 -3.744 452 H ILE 59 H ILE 59 -0.057 -13.922 0.771 453 HA ILE 59 HA ILE 59 0.907 -11.406 0.806 454 HB ILE 59 HB ILE 59 -0.963 -12.828 2.185 455 1HG1 ILE 59 1HG1 ILE 59 -1.350 -10.554 3.365 456 2HG1 ILE 59 2HG1 ILE 59 0.018 -9.987 2.429 457 1HG2 ILE 59 1HG2 ILE 59 -0.544 -12.367 4.592 458 2HG2 ILE 59 2HG2 ILE 59 0.545 -13.591 3.895 459 3HG2 ILE 59 3HG2 ILE 59 1.134 -11.936 4.180 460 1HD1 ILE 59 1HD1 ILE 59 -2.688 -10.265 1.565 461 2HD1 ILE 59 2HD1 ILE 59 -1.283 -9.764 0.592 462 3HD1 ILE 59 3HD1 ILE 59 -1.740 -11.483 0.677 463 H ASP 60 H ASP 60 2.070 -14.152 2.872 464 HA ASP 60 HA ASP 60 3.839 -12.969 4.411 465 1HB ASP 60 1HB ASP 60 3.487 -15.579 3.320 466 2HB ASP 60 2HB ASP 60 5.185 -15.210 3.099 467 H ARG 61 H ARG 61 4.156 -13.607 0.881 468 HA ARG 61 HA ARG 61 6.843 -12.698 0.816 469 1HB ARG 61 1HB ARG 61 4.859 -13.188 -1.464 470 2HB ARG 61 2HB ARG 61 6.584 -12.952 -1.666 471 1HG ARG 61 1HG ARG 61 5.593 -15.135 0.188 472 2HG ARG 61 2HG ARG 61 5.578 -15.407 -1.543 473 1HD ARG 61 1HD ARG 61 8.131 -14.236 -0.633 474 2HD ARG 61 2HD ARG 61 7.782 -15.753 0.171 475 HE ARG 61 HE ARG 61 7.215 -16.225 -2.535 476 1HH1 ARG 61 1HH1 ARG 61 10.025 -15.219 -0.671 477 2HH1 ARG 61 2HH1 ARG 61 11.165 -15.913 -1.775 478 1HH2 ARG 61 1HH2 ARG 61 8.718 -17.141 -3.992 479 2HH2 ARG 61 2HH2 ARG 61 10.416 -17.014 -3.677 480 H VAL 62 H VAL 62 3.572 -11.436 -0.038 481 HA VAL 62 HA VAL 62 4.487 -9.048 -1.212 482 HB VAL 62 HB VAL 62 1.844 -9.603 0.146 483 1HG1 VAL 62 1HG1 VAL 62 1.162 -7.629 -0.642 484 2HG1 VAL 62 2HG1 VAL 62 2.852 -7.284 -1.082 485 3HG1 VAL 62 3HG1 VAL 62 1.753 -8.013 -2.277 486 1HG2 VAL 62 1HG2 VAL 62 1.392 -10.019 -2.518 487 2HG2 VAL 62 2HG2 VAL 62 3.026 -10.699 -2.330 488 3HG2 VAL 62 3HG2 VAL 62 1.688 -11.307 -1.325 489 H VAL 63 H VAL 63 2.875 -9.564 2.011 490 HA VAL 63 HA VAL 63 3.394 -7.072 3.019 491 HB VAL 63 HB VAL 63 3.250 -9.744 4.428 492 1HG1 VAL 63 1HG1 VAL 63 2.295 -8.022 6.254 493 2HG1 VAL 63 2HG1 VAL 63 4.012 -8.481 6.166 494 3HG1 VAL 63 3HG1 VAL 63 3.462 -6.950 5.444 495 1HG2 VAL 63 1HG2 VAL 63 1.317 -8.546 2.901 496 2HG2 VAL 63 2HG2 VAL 63 1.004 -9.660 4.253 497 3HG2 VAL 63 3HG2 VAL 63 0.947 -7.901 4.519 498 H GLY 64 H GLY 64 5.508 -9.970 2.865 499 1HA GLY 64 1HA GLY 64 7.555 -9.047 4.541 500 2HA GLY 64 2HA GLY 64 7.703 -10.238 3.264 501 H ALA 65 H ALA 65 6.796 -8.457 1.075 502 HA ALA 65 HA ALA 65 9.321 -7.207 0.577 503 1HB ALA 65 1HB ALA 65 6.838 -7.899 -0.901 504 2HB ALA 65 2HB ALA 65 7.700 -6.456 -1.486 505 3HB ALA 65 3HB ALA 65 8.541 -8.023 -1.402 506 H PHE 66 H PHE 66 5.937 -6.173 1.280 507 HA PHE 66 HA PHE 66 6.268 -3.472 0.846 508 1HB PHE 66 1HB PHE 66 4.546 -5.352 2.442 509 2HB PHE 66 2HB PHE 66 4.528 -3.699 3.023 510 HD1 PHE 66 HD1 PHE 66 3.691 -5.889 0.198 511 HD2 PHE 66 HD2 PHE 66 3.479 -1.945 1.751 512 HE1 PHE 66 HE1 PHE 66 2.006 -5.287 -1.562 513 HE2 PHE 66 HE2 PHE 66 1.793 -1.343 -0.010 514 HZ PHE 66 HZ PHE 66 1.077 -3.021 -1.645 515 H ASN 67 H ASN 67 7.531 -5.525 3.405 516 HA ASN 67 HA ASN 67 7.825 -3.437 5.281 517 1HB ASN 67 1HB ASN 67 7.728 -5.888 5.883 518 2HB ASN 67 2HB ASN 67 9.265 -6.135 5.079 519 1HD2 ASN 67 1HD2 ASN 67 10.871 -6.312 6.426 520 2HD2 ASN 67 2HD2 ASN 67 11.112 -5.442 7.904 521 H GLN 68 H GLN 68 8.836 -2.584 2.752 522 HA GLN 68 HA GLN 68 11.309 -1.631 3.430 523 1HB GLN 68 1HB GLN 68 12.806 -2.878 1.869 524 2HB GLN 68 2HB GLN 68 12.198 -3.891 3.163 525 1HG GLN 68 1HG GLN 68 10.725 -5.068 1.742 526 2HG GLN 68 2HG GLN 68 10.646 -3.768 0.570 527 1HE2 GLN 68 1HE2 GLN 68 11.055 -6.284 -0.284 528 2HE2 GLN 68 2HE2 GLN 68 12.668 -6.512 -0.873 529 H ALA 69 H ALA 69 8.894 -2.561 1.018 530 HA ALA 69 HA ALA 69 9.882 -0.806 -1.009 531 1HB ALA 69 1HB ALA 69 8.655 -2.731 -1.708 532 2HB ALA 69 2HB ALA 69 7.321 -2.382 -0.582 533 3HB ALA 69 3HB ALA 69 7.583 -1.341 -2.002 534 H LYS 70 H LYS 70 8.033 -0.489 1.928 535 HA LYS 70 HA LYS 70 6.279 1.518 1.375 536 1HB LYS 70 1HB LYS 70 6.414 2.084 3.723 537 2HB LYS 70 2HB LYS 70 6.480 0.344 3.529 538 1HG LYS 70 1HG LYS 70 9.066 0.592 3.578 539 2HG LYS 70 2HG LYS 70 8.794 2.233 4.128 540 1HD LYS 70 1HD LYS 70 8.000 1.564 6.206 541 2HD LYS 70 2HD LYS 70 7.271 0.099 5.580 542 1HE LYS 70 1HE LYS 70 9.052 -0.936 6.592 543 2HE LYS 70 2HE LYS 70 9.912 -0.479 5.135 544 1HZ LYS 70 1HZ LYS 70 10.510 1.596 6.285 545 2HZ LYS 70 2HZ LYS 70 9.837 1.021 7.657 546 3HZ LYS 70 3HZ LYS 70 11.127 0.264 7.000 547 H GLY 71 H GLY 71 9.761 1.569 1.180 548 1HA GLY 71 1HA GLY 71 10.272 4.284 1.646 549 2HA GLY 71 2HA GLY 71 11.229 3.191 0.666 550 H VAL 72 H VAL 72 9.614 2.486 -1.451 551 HA VAL 72 HA VAL 72 9.639 4.877 -2.981 552 HB VAL 72 HB VAL 72 8.728 3.352 -4.748 553 1HG1 VAL 72 1HG1 VAL 72 10.794 2.128 -5.037 554 2HG1 VAL 72 2HG1 VAL 72 11.163 3.728 -4.350 555 3HG1 VAL 72 3HG1 VAL 72 11.179 2.286 -3.307 556 1HG2 VAL 72 1HG2 VAL 72 7.550 1.849 -3.055 557 2HG2 VAL 72 2HG2 VAL 72 8.431 1.032 -4.369 558 3HG2 VAL 72 3HG2 VAL 72 9.145 1.124 -2.741 559 H PHE 73 H PHE 73 7.119 2.814 -1.451 560 HA PHE 73 HA PHE 73 4.908 3.981 -2.619 561 1HB PHE 73 1HB PHE 73 5.384 2.953 0.244 562 2HB PHE 73 2HB PHE 73 3.803 3.115 -0.494 563 HD1 PHE 73 HD1 PHE 73 5.224 2.124 -3.261 564 HD2 PHE 73 HD2 PHE 73 4.716 0.573 0.656 565 HE1 PHE 73 HE1 PHE 73 5.405 -0.212 -4.162 566 HE2 PHE 73 HE2 PHE 73 4.897 -1.762 -0.245 567 HZ PHE 73 HZ PHE 73 5.239 -2.127 -2.643 568 H SER 74 H SER 74 6.443 4.775 0.586 569 HA SER 74 HA SER 74 4.771 6.880 1.143 570 1HB SER 74 1HB SER 74 7.699 6.683 1.960 571 2HB SER 74 2HB SER 74 6.422 7.524 2.816 572 HG SER 74 HG SER 74 6.633 5.575 3.882 573 H ARG 75 H ARG 75 7.574 6.612 -1.006 574 HA ARG 75 HA ARG 75 8.075 9.372 -1.133 575 1HB ARG 75 1HB ARG 75 9.383 7.072 -1.980 576 2HB ARG 75 2HB ARG 75 8.810 7.719 -3.504 577 1HG ARG 75 1HG ARG 75 10.099 9.666 -3.334 578 2HG ARG 75 2HG ARG 75 10.099 9.647 -1.581 579 1HD ARG 75 1HD ARG 75 11.545 7.490 -3.173 580 2HD ARG 75 2HD ARG 75 12.318 9.021 -2.816 581 HE ARG 75 HE ARG 75 11.348 8.195 -0.347 582 1HH1 ARG 75 1HH1 ARG 75 13.429 6.745 -2.785 583 2HH1 ARG 75 2HH1 ARG 75 14.326 5.801 -1.642 584 1HH2 ARG 75 1HH2 ARG 75 12.531 6.951 1.162 585 2HH2 ARG 75 2HH2 ARG 75 13.811 5.919 0.618 586 H VAL 76 H VAL 76 5.800 7.150 -2.653 587 HA VAL 76 HA VAL 76 5.299 8.618 -4.998 588 HB VAL 76 HB VAL 76 3.629 6.657 -3.414 589 1HG1 VAL 76 1HG1 VAL 76 2.081 6.537 -5.145 590 2HG1 VAL 76 2HG1 VAL 76 2.427 8.281 -5.068 591 3HG1 VAL 76 3HG1 VAL 76 3.186 7.278 -6.327 592 1HG2 VAL 76 1HG2 VAL 76 4.935 5.073 -4.280 593 2HG2 VAL 76 2HG2 VAL 76 4.581 5.652 -5.926 594 3HG2 VAL 76 3HG2 VAL 76 5.956 6.329 -5.021 595 H LEU 77 H LEU 77 3.486 8.422 -1.850 596 HA LEU 77 HA LEU 77 1.800 10.587 -2.575 597 1HB LEU 77 1HB LEU 77 2.215 9.702 0.249 598 2HB LEU 77 2HB LEU 77 0.752 10.239 -0.553 599 HG LEU 77 HG LEU 77 1.346 7.932 -1.939 600 1HD1 LEU 77 1HD1 LEU 77 2.936 7.798 0.371 601 2HD1 LEU 77 2HD1 LEU 77 1.544 6.731 0.679 602 3HD1 LEU 77 3HD1 LEU 77 2.552 6.485 -0.768 603 1HD2 LEU 77 1HD2 LEU 77 -0.605 8.839 0.038 604 2HD2 LEU 77 2HD2 LEU 77 -0.831 7.902 -1.458 605 3HD2 LEU 77 3HD2 LEU 77 -0.370 7.074 0.049 606 H ALA 78 H ALA 78 4.772 10.198 -0.573 607 HA ALA 78 HA ALA 78 4.853 12.713 0.535 608 1HB ALA 78 1HB ALA 78 6.358 10.931 1.198 609 2HB ALA 78 2HB ALA 78 7.079 10.875 -0.428 610 3HB ALA 78 3HB ALA 78 7.333 12.299 0.609 611 H HIS 79 H HIS 79 5.846 11.579 -2.736 612 HA HIS 79 HA HIS 79 7.256 13.615 -3.690 613 1HB HIS 79 1HB HIS 79 6.454 11.571 -4.909 614 2HB HIS 79 2HB HIS 79 4.920 12.377 -5.171 615 HD1 HIS 79 HD1 HIS 79 5.733 11.929 -7.776 616 HD2 HIS 79 HD2 HIS 79 7.729 14.919 -5.615 617 HE1 HIS 79 HE1 HIS 79 6.906 13.396 -9.502 618 HE2 HIS 79 HE2 HIS 79 8.071 15.247 -8.119 619 H ASN 80 H ASN 80 3.838 13.707 -2.739 620 HA ASN 80 HA ASN 80 3.828 16.509 -3.551 621 1HB ASN 80 1HB ASN 80 1.827 14.337 -3.841 622 2HB ASN 80 2HB ASN 80 1.148 15.776 -3.106 623 1HD2 ASN 80 1HD2 ASN 80 1.154 14.357 -5.859 624 2HD2 ASN 80 2HD2 ASN 80 1.343 15.644 -7.003 625 H LEU 81 H LEU 81 1.791 14.362 -1.421 626 HA LEU 81 HA LEU 81 1.088 16.087 0.484 627 1HB LEU 81 1HB LEU 81 1.554 13.201 0.346 628 2HB LEU 81 2HB LEU 81 1.676 13.845 1.971 629 HG LEU 81 HG LEU 81 -0.662 14.958 0.745 630 1HD1 LEU 81 1HD1 LEU 81 -1.596 13.350 -0.462 631 2HD1 LEU 81 2HD1 LEU 81 -0.088 12.414 -0.330 632 3HD1 LEU 81 3HD1 LEU 81 -1.389 12.178 0.862 633 1HD2 LEU 81 1HD2 LEU 81 -1.568 14.515 2.756 634 2HD2 LEU 81 2HD2 LEU 81 -0.973 12.837 2.779 635 3HD2 LEU 81 3HD2 LEU 81 0.117 14.174 3.220 636 H TYR 82 H TYR 82 3.641 13.866 1.625 637 HA TYR 82 HA TYR 82 5.587 14.230 2.637 638 1HB TYR 82 1HB TYR 82 5.572 16.047 0.604 639 2HB TYR 82 2HB TYR 82 5.429 17.191 1.924 640 HD1 TYR 82 HD1 TYR 82 7.191 15.058 3.693 641 HD2 TYR 82 HD2 TYR 82 7.719 17.257 0.061 642 HE1 TYR 82 HE1 TYR 82 9.712 14.999 4.015 643 HE2 TYR 82 HE2 TYR 82 10.238 17.191 0.395 644 HH TYR 82 HH TYR 82 11.730 16.925 2.781 645 H LEU 83 H LEU 83 6.216 17.116 3.697 646 HA LEU 83 HA LEU 83 5.872 18.305 5.530 647 1HB LEU 83 1HB LEU 83 3.619 18.661 4.812 648 2HB LEU 83 2HB LEU 83 3.116 17.088 5.398 649 HG LEU 83 HG LEU 83 4.222 19.132 7.311 650 1HD1 LEU 83 1HD1 LEU 83 1.297 18.963 6.559 651 2HD1 LEU 83 2HD1 LEU 83 2.086 20.118 7.660 652 3HD1 LEU 83 3HD1 LEU 83 2.416 20.187 5.912 653 1HD2 LEU 83 1HD2 LEU 83 2.062 17.622 8.364 654 2HD2 LEU 83 2HD2 LEU 83 3.142 16.492 7.513 655 3HD2 LEU 83 3HD2 LEU 83 3.787 17.545 8.795 656 H ALA 84 H ALA 84 5.627 18.052 7.986 657 HA ALA 84 HA ALA 84 7.240 16.299 9.049 658 1HB ALA 84 1HB ALA 84 5.607 18.073 10.109 659 2HB ALA 84 2HB ALA 84 4.589 16.651 10.441 660 3HB ALA 84 3HB ALA 84 6.237 16.741 11.107 661 H LYS 85 H LYS 85 3.691 15.496 9.018 662 HA LYS 85 HA LYS 85 4.009 12.838 9.635 663 1HB LYS 85 1HB LYS 85 1.872 14.452 8.285 664 2HB LYS 85 2HB LYS 85 1.731 12.706 8.298 665 1HG LYS 85 1HG LYS 85 0.725 13.084 10.333 666 2HG LYS 85 2HG LYS 85 2.379 13.078 10.910 667 1HD LYS 85 1HD LYS 85 2.421 15.615 10.495 668 2HD LYS 85 2HD LYS 85 0.696 15.521 10.199 669 1HE LYS 85 1HE LYS 85 0.482 15.841 12.452 670 2HE LYS 85 2HE LYS 85 0.887 14.141 12.587 671 1HZ LYS 85 1HZ LYS 85 2.301 15.525 13.947 672 2HZ LYS 85 2HZ LYS 85 3.188 14.753 12.813 673 3HZ LYS 85 3HZ LYS 85 2.839 16.339 12.637 674 H ALA 86 H ALA 86 3.029 13.911 6.316 675 HA ALA 86 HA ALA 86 3.577 13.153 4.312 676 1HB ALA 86 1HB ALA 86 5.953 12.280 4.019 677 2HB ALA 86 2HB ALA 86 5.814 13.901 4.741 678 3HB ALA 86 3HB ALA 86 6.158 12.493 5.774 679 H VAL 87 H VAL 87 1.962 11.585 4.097 680 HA VAL 87 HA VAL 87 1.605 9.261 5.313 681 HB VAL 87 HB VAL 87 0.026 9.484 3.756 682 1HG1 VAL 87 1HG1 VAL 87 0.599 11.493 2.753 683 2HG1 VAL 87 2HG1 VAL 87 2.154 10.873 2.148 684 3HG1 VAL 87 3HG1 VAL 87 0.634 10.377 1.367 685 1HG2 VAL 87 1HG2 VAL 87 0.389 8.128 1.679 686 2HG2 VAL 87 2HG2 VAL 87 2.105 7.987 2.129 687 3HG2 VAL 87 3HG2 VAL 87 0.849 7.295 3.183 688 H GLN 88 H GLN 88 2.420 7.150 5.347 689 HA GLN 88 HA GLN 88 4.887 6.803 3.832 690 1HB GLN 88 1HB GLN 88 4.382 6.539 6.755 691 2HB GLN 88 2HB GLN 88 5.290 5.217 6.048 692 1HG GLN 88 1HG GLN 88 7.152 6.501 5.787 693 2HG GLN 88 2HG GLN 88 6.246 7.800 5.035 694 1HE2 GLN 88 1HE2 GLN 88 8.389 7.704 7.113 695 2HE2 GLN 88 2HE2 GLN 88 7.804 8.633 8.453 696 H ILE 89 H ILE 89 1.727 5.868 4.186 697 HA ILE 89 HA ILE 89 0.545 4.101 3.594 698 HB ILE 89 HB ILE 89 2.980 3.926 1.964 699 1HG1 ILE 89 1HG1 ILE 89 0.095 3.483 1.175 700 2HG1 ILE 89 2HG1 ILE 89 0.755 5.084 1.443 701 1HG2 ILE 89 1HG2 ILE 89 3.003 1.632 2.626 702 2HG2 ILE 89 2HG2 ILE 89 1.244 1.484 2.397 703 3HG2 ILE 89 3HG2 ILE 89 2.309 1.716 0.989 704 1HD1 ILE 89 1HD1 ILE 89 0.913 4.525 -0.940 705 2HD1 ILE 89 2HD1 ILE 89 2.551 4.608 -0.249 706 3HD1 ILE 89 3HD1 ILE 89 1.795 3.027 -0.558 707 H HIS 90 H HIS 90 -0.162 2.370 4.756 708 HA HIS 90 HA HIS 90 1.901 0.953 6.282 709 1HB HIS 90 1HB HIS 90 0.465 2.418 7.664 710 2HB HIS 90 2HB HIS 90 -0.954 1.559 7.099 711 HD1 HIS 90 HD1 HIS 90 1.734 1.428 9.630 712 HD2 HIS 90 HD2 HIS 90 -1.087 -1.218 8.006 713 HE1 HIS 90 HE1 HIS 90 1.617 -0.559 11.226 714 HE2 HIS 90 HE2 HIS 90 -0.172 -2.125 10.204 715 H PHE 91 H PHE 91 2.094 -1.192 5.856 716 HA PHE 91 HA PHE 91 0.366 -2.360 3.927 717 1HB PHE 91 1HB PHE 91 1.982 -4.148 4.077 718 2HB PHE 91 2HB PHE 91 2.918 -2.717 4.462 719 HD1 PHE 91 HD1 PHE 91 1.211 -5.643 5.934 720 HD2 PHE 91 HD2 PHE 91 3.928 -2.451 6.593 721 HE1 PHE 91 HE1 PHE 91 1.901 -6.680 8.114 722 HE2 PHE 91 HE2 PHE 91 4.618 -3.488 8.772 723 HZ PHE 91 HZ PHE 91 3.596 -5.590 9.506 724 H VAL 92 H VAL 92 -1.056 -4.170 4.178 725 HA VAL 92 HA VAL 92 -1.593 -5.119 6.843 726 HB VAL 92 HB VAL 92 -3.535 -3.396 5.308 727 1HG1 VAL 92 1HG1 VAL 92 -5.244 -4.057 6.991 728 2HG1 VAL 92 2HG1 VAL 92 -4.753 -5.400 5.930 729 3HG1 VAL 92 3HG1 VAL 92 -4.128 -5.305 7.594 730 1HG2 VAL 92 1HG2 VAL 92 -3.738 -2.516 7.800 731 2HG2 VAL 92 2HG2 VAL 92 -2.115 -3.232 7.942 732 3HG2 VAL 92 3HG2 VAL 92 -2.426 -1.967 6.729 733 H LYS 93 H LYS 93 -3.340 -6.880 6.741 734 HA LYS 93 HA LYS 93 -3.320 -8.102 4.071 735 1HB LYS 93 1HB LYS 93 -3.330 -10.285 5.630 736 2HB LYS 93 2HB LYS 93 -1.865 -9.558 5.003 737 1HG LYS 93 1HG LYS 93 -1.427 -8.397 7.075 738 2HG LYS 93 2HG LYS 93 -3.043 -8.706 7.679 739 1HD LYS 93 1HD LYS 93 -2.594 -10.993 8.113 740 2HD LYS 93 2HD LYS 93 -1.254 -11.050 6.985 741 1HE LYS 93 1HE LYS 93 -0.409 -9.108 8.801 742 2HE LYS 93 2HE LYS 93 -1.284 -10.221 9.833 743 1HZ LYS 93 1HZ LYS 93 0.187 -11.853 9.431 744 2HZ LYS 93 2HZ LYS 93 0.511 -11.391 7.898 745 3HZ LYS 93 3HZ LYS 93 1.201 -10.603 9.151 746 H ASP 94 H ASP 94 -4.865 -8.120 7.356 747 HA ASP 94 HA ASP 94 -7.405 -7.926 6.071 748 1HB ASP 94 1HB ASP 94 -6.598 -10.474 6.401 749 2HB ASP 94 2HB ASP 94 -7.141 -10.196 8.044 750 H LYS 95 H LYS 95 -6.202 -6.013 7.627 751 HA LYS 95 HA LYS 95 -6.117 -4.961 9.601 752 1HB LYS 95 1HB LYS 95 -8.438 -4.631 8.562 753 2HB LYS 95 2HB LYS 95 -9.032 -5.740 9.781 754 1HG LYS 95 1HG LYS 95 -7.554 -4.080 11.373 755 2HG LYS 95 2HG LYS 95 -7.975 -2.953 10.099 756 1HD LYS 95 1HD LYS 95 -10.374 -3.422 10.403 757 2HD LYS 95 2HD LYS 95 -10.019 -4.690 11.560 758 1HE LYS 95 1HE LYS 95 -9.209 -3.124 13.199 759 2HE LYS 95 2HE LYS 95 -9.073 -1.834 12.021 760 1HZ LYS 95 1HZ LYS 95 -11.442 -1.795 11.829 761 2HZ LYS 95 2HZ LYS 95 -11.611 -3.069 12.837 762 3HZ LYS 95 3HZ LYS 95 -11.042 -1.647 13.405 763 H ALA 96 H ALA 96 -4.834 -7.232 10.092 764 HA ALA 96 HA ALA 96 -4.300 -8.754 11.611 765 1HB ALA 96 1HB ALA 96 -5.907 -7.090 13.578 766 2HB ALA 96 2HB ALA 96 -4.444 -8.056 13.889 767 3HB ALA 96 3HB ALA 96 -4.336 -6.559 12.931 768 H ILE 97 H ILE 97 -5.966 -10.033 10.188 769 HA ILE 97 HA ILE 97 -7.870 -11.239 10.005 770 HB ILE 97 HB ILE 97 -7.828 -12.947 12.026 771 1HG1 ILE 97 1HG1 ILE 97 -5.259 -12.992 12.676 772 2HG1 ILE 97 2HG1 ILE 97 -5.381 -11.263 12.415 773 1HG2 ILE 97 1HG2 ILE 97 -5.489 -13.652 10.700 774 2HG2 ILE 97 2HG2 ILE 97 -7.152 -14.086 10.238 775 3HG2 ILE 97 3HG2 ILE 97 -6.375 -12.653 9.523 776 1HD1 ILE 97 1HD1 ILE 97 -6.583 -10.948 14.323 777 2HD1 ILE 97 2HD1 ILE 97 -7.653 -12.326 13.972 778 3HD1 ILE 97 3HD1 ILE 97 -6.080 -12.599 14.758 779 H ASP 98 H ASP 98 -9.194 -9.181 10.345 780 HA ASP 98 HA ASP 98 -10.717 -7.998 11.396 781 1HB ASP 98 1HB ASP 98 -11.706 -10.786 12.159 782 2HB ASP 98 2HB ASP 98 -12.697 -9.342 12.117 783 H ASN 99 H ASN 99 -8.481 -8.085 13.066 784 HA ASN 99 HA ASN 99 -7.724 -8.255 15.135 785 1HB ASN 99 1HB ASN 99 -10.341 -6.711 15.335 786 2HB ASN 99 2HB ASN 99 -9.350 -6.930 16.763 787 1HD2 ASN 99 1HD2 ASN 99 -8.322 -5.128 17.160 788 2HD2 ASN 99 2HD2 ASN 99 -7.438 -4.154 16.033 789 H ALA 100 H ALA 100 -8.433 -10.768 14.851 790 HA ALA 100 HA ALA 100 -10.364 -11.390 16.980 791 1HB ALA 100 1HB ALA 100 -10.265 -13.691 15.669 792 2HB ALA 100 2HB ALA 100 -11.276 -12.352 15.072 793 3HB ALA 100 3HB ALA 100 -9.685 -12.662 14.337 794 H MET 101 H MET 101 -9.829 -13.456 18.203 795 HA MET 101 HA MET 101 -7.171 -14.372 18.126 796 1HB MET 101 1HB MET 101 -6.855 -12.139 19.273 797 2HB MET 101 2HB MET 101 -8.018 -12.611 20.496 798 1HG MET 101 1HG MET 101 -6.200 -14.759 20.465 799 2HG MET 101 2HG MET 101 -5.174 -13.357 20.236 800 1HE MET 101 1HE MET 101 -6.720 -15.178 23.722 801 2HE MET 101 2HE MET 101 -8.226 -14.366 23.233 802 3HE MET 101 3HE MET 101 -7.357 -15.403 22.076 Start of MODEL 16 1 H LYS 6 H LYS 6 -15.528 4.820 -13.284 2 HA LYS 6 HA LYS 6 -15.703 7.410 -11.936 3 1HB LYS 6 1HB LYS 6 -17.651 5.975 -11.281 4 2HB LYS 6 2HB LYS 6 -16.524 4.789 -10.654 5 1HG LYS 6 1HG LYS 6 -16.339 5.951 -8.719 6 2HG LYS 6 2HG LYS 6 -15.741 7.348 -9.594 7 1HD LYS 6 1HD LYS 6 -18.209 7.890 -10.147 8 2HD LYS 6 2HD LYS 6 -18.647 6.660 -8.978 9 1HE LYS 6 1HE LYS 6 -16.646 8.391 -7.787 10 2HE LYS 6 2HE LYS 6 -17.911 9.391 -8.474 11 1HZ LYS 6 1HZ LYS 6 -19.061 8.873 -6.682 12 2HZ LYS 6 2HZ LYS 6 -19.225 7.353 -7.254 13 3HZ LYS 6 3HZ LYS 6 -18.017 7.708 -6.215 14 H GLU 7 H GLU 7 -13.971 7.858 -10.535 15 HA GLU 7 HA GLU 7 -12.161 5.841 -9.799 16 1HB GLU 7 1HB GLU 7 -11.469 7.595 -12.169 17 2HB GLU 7 2HB GLU 7 -10.198 7.032 -11.102 18 1HG GLU 7 1HG GLU 7 -11.478 4.669 -11.468 19 2HG GLU 7 2HG GLU 7 -11.959 5.453 -12.960 20 H ARG 8 H ARG 8 -11.797 9.330 -10.777 21 HA ARG 8 HA ARG 8 -11.389 11.120 -9.638 22 1HB ARG 8 1HB ARG 8 -13.261 9.842 -8.051 23 2HB ARG 8 2HB ARG 8 -11.951 10.046 -6.906 24 1HG ARG 8 1HG ARG 8 -12.761 12.153 -6.597 25 2HG ARG 8 2HG ARG 8 -12.004 12.536 -8.131 26 1HD ARG 8 1HD ARG 8 -14.232 13.253 -8.466 27 2HD ARG 8 2HD ARG 8 -14.226 11.672 -9.221 28 HE ARG 8 HE ARG 8 -15.718 10.925 -7.587 29 1HH1 ARG 8 1HH1 ARG 8 -14.088 13.809 -6.400 30 2HH1 ARG 8 2HH1 ARG 8 -15.048 13.916 -4.962 31 1HH2 ARG 8 1HH2 ARG 8 -16.985 11.065 -5.690 32 2HH2 ARG 8 2HH2 ARG 8 -16.707 12.345 -4.556 33 H LEU 9 H LEU 9 -10.460 11.249 -6.744 34 HA LEU 9 HA LEU 9 -7.708 10.852 -7.258 35 1HB LEU 9 1HB LEU 9 -7.363 12.031 -5.364 36 2HB LEU 9 2HB LEU 9 -8.995 12.549 -5.737 37 HG LEU 9 HG LEU 9 -8.553 10.220 -3.886 38 1HD1 LEU 9 1HD1 LEU 9 -8.060 11.489 -2.047 39 2HD1 LEU 9 2HD1 LEU 9 -7.180 12.397 -3.300 40 3HD1 LEU 9 3HD1 LEU 9 -8.767 12.971 -2.734 41 1HD2 LEU 9 1HD2 LEU 9 -10.656 11.940 -3.074 42 2HD2 LEU 9 2HD2 LEU 9 -10.800 11.721 -4.835 43 3HD2 LEU 9 3HD2 LEU 9 -10.764 10.301 -3.762 44 H GLU 10 H GLU 10 -10.284 8.978 -5.658 45 HA GLU 10 HA GLU 10 -8.857 7.288 -4.137 46 1HB GLU 10 1HB GLU 10 -11.454 7.434 -4.931 47 2HB GLU 10 2HB GLU 10 -10.964 6.025 -5.851 48 1HG GLU 10 1HG GLU 10 -11.295 4.811 -3.960 49 2HG GLU 10 2HG GLU 10 -9.831 5.546 -3.335 50 H ASN 11 H ASN 11 -9.560 6.884 -7.681 51 HA ASN 11 HA ASN 11 -8.081 4.548 -7.916 52 1HB ASN 11 1HB ASN 11 -9.804 5.786 -9.551 53 2HB ASN 11 2HB ASN 11 -8.354 6.519 -10.209 54 1HD2 ASN 11 1HD2 ASN 11 -6.803 5.276 -11.234 55 2HD2 ASN 11 2HD2 ASN 11 -7.100 3.669 -11.806 56 H ASP 12 H ASP 12 -7.366 7.991 -8.900 57 HA ASP 12 HA ASP 12 -4.986 7.871 -9.933 58 1HB ASP 12 1HB ASP 12 -6.458 9.829 -8.578 59 2HB ASP 12 2HB ASP 12 -4.953 9.794 -7.679 60 H ILE 13 H ILE 13 -5.751 7.420 -6.437 61 HA ILE 13 HA ILE 13 -3.039 7.262 -5.614 62 HB ILE 13 HB ILE 13 -5.613 6.414 -4.282 63 1HG1 ILE 13 1HG1 ILE 13 -4.167 8.770 -3.283 64 2HG1 ILE 13 2HG1 ILE 13 -4.757 8.960 -4.923 65 1HG2 ILE 13 1HG2 ILE 13 -4.032 5.190 -3.118 66 2HG2 ILE 13 2HG2 ILE 13 -2.762 6.419 -3.333 67 3HG2 ILE 13 3HG2 ILE 13 -4.097 6.708 -2.190 68 1HD1 ILE 13 1HD1 ILE 13 -6.306 8.538 -2.379 69 2HD1 ILE 13 2HD1 ILE 13 -6.653 9.617 -3.752 70 3HD1 ILE 13 3HD1 ILE 13 -6.983 7.873 -3.885 71 H ILE 14 H ILE 14 -5.658 4.780 -6.060 72 HA ILE 14 HA ILE 14 -4.179 2.559 -5.520 73 HB ILE 14 HB ILE 14 -6.560 3.184 -7.164 74 1HG1 ILE 14 1HG1 ILE 14 -7.502 1.363 -5.711 75 2HG1 ILE 14 2HG1 ILE 14 -5.941 1.239 -4.924 76 1HG2 ILE 14 1HG2 ILE 14 -4.790 0.855 -7.695 77 2HG2 ILE 14 2HG2 ILE 14 -6.539 0.541 -7.593 78 3HG2 ILE 14 3HG2 ILE 14 -5.914 1.721 -8.770 79 1HD1 ILE 14 1HD1 ILE 14 -6.121 3.776 -4.465 80 2HD1 ILE 14 2HD1 ILE 14 -7.824 3.628 -4.958 81 3HD1 ILE 14 3HD1 ILE 14 -7.224 2.719 -3.550 82 H ARG 15 H ARG 15 -4.586 4.150 -8.762 83 HA ARG 15 HA ARG 15 -2.861 2.437 -10.053 84 1HB ARG 15 1HB ARG 15 -4.438 3.971 -11.217 85 2HB ARG 15 2HB ARG 15 -3.529 5.362 -10.659 86 1HG ARG 15 1HG ARG 15 -1.584 4.730 -11.980 87 2HG ARG 15 2HG ARG 15 -2.271 3.162 -12.355 88 1HD ARG 15 1HD ARG 15 -4.038 5.416 -13.128 89 2HD ARG 15 2HD ARG 15 -2.489 5.446 -13.946 90 HE ARG 15 HE ARG 15 -3.761 2.799 -13.923 91 1HH1 ARG 15 1HH1 ARG 15 -3.449 5.853 -15.641 92 2HH1 ARG 15 2HH1 ARG 15 -3.945 5.194 -17.164 93 1HH2 ARG 15 1HH2 ARG 15 -4.415 1.928 -15.932 94 2HH2 ARG 15 2HH2 ARG 15 -4.498 2.946 -17.330 95 H LEU 16 H LEU 16 -2.304 5.208 -7.936 96 HA LEU 16 HA LEU 16 0.222 5.978 -8.797 97 1HB LEU 16 1HB LEU 16 -1.578 6.670 -6.797 98 2HB LEU 16 2HB LEU 16 -0.166 6.124 -5.916 99 HG LEU 16 HG LEU 16 1.241 7.740 -7.099 100 1HD1 LEU 16 1HD1 LEU 16 -0.662 9.459 -8.308 101 2HD1 LEU 16 2HD1 LEU 16 0.661 8.551 -9.078 102 3HD1 LEU 16 3HD1 LEU 16 -0.955 7.818 -8.934 103 1HD2 LEU 16 1HD2 LEU 16 -0.804 9.641 -6.304 104 2HD2 LEU 16 2HD2 LEU 16 -0.673 8.293 -5.148 105 3HD2 LEU 16 3HD2 LEU 16 0.764 9.263 -5.552 106 H ILE 17 H ILE 17 -0.434 4.020 -5.810 107 HA ILE 17 HA ILE 17 2.102 3.114 -5.457 108 HB ILE 17 HB ILE 17 -0.603 2.246 -4.678 109 1HG1 ILE 17 1HG1 ILE 17 0.712 3.828 -3.352 110 2HG1 ILE 17 2HG1 ILE 17 0.356 2.369 -2.449 111 1HG2 ILE 17 1HG2 ILE 17 1.718 0.329 -4.773 112 2HG2 ILE 17 2HG2 ILE 17 0.452 0.194 -3.529 113 3HG2 ILE 17 3HG2 ILE 17 0.022 0.076 -5.252 114 1HD1 ILE 17 1HD1 ILE 17 2.836 1.953 -3.870 115 2HD1 ILE 17 2HD1 ILE 17 2.924 3.508 -3.010 116 3HD1 ILE 17 3HD1 ILE 17 2.564 2.014 -2.112 117 H ASN 18 H ASN 18 -0.275 2.138 -7.888 118 HA ASN 18 HA ASN 18 0.850 -0.314 -8.517 119 1HB ASN 18 1HB ASN 18 -1.148 1.524 -9.625 120 2HB ASN 18 2HB ASN 18 -0.195 0.828 -10.921 121 1HD2 ASN 18 1HD2 ASN 18 -2.533 0.044 -11.222 122 2HD2 ASN 18 2HD2 ASN 18 -2.910 -1.524 -10.591 123 H ARG 19 H ARG 19 1.197 3.000 -9.998 124 HA ARG 19 HA ARG 19 2.939 2.371 -11.966 125 1HB ARG 19 1HB ARG 19 2.069 4.773 -10.557 126 2HB ARG 19 2HB ARG 19 3.780 4.902 -10.915 127 1HG ARG 19 1HG ARG 19 2.984 5.680 -12.936 128 2HG ARG 19 2HG ARG 19 2.960 3.970 -13.319 129 1HD ARG 19 1HD ARG 19 0.527 3.976 -12.358 130 2HD ARG 19 2HD ARG 19 0.623 5.723 -12.463 131 HE ARG 19 HE ARG 19 0.514 5.582 -14.808 132 1HH1 ARG 19 1HH1 ARG 19 1.149 2.395 -13.457 133 2HH1 ARG 19 2HH1 ARG 19 0.911 1.570 -14.961 134 1HH2 ARG 19 1HH2 ARG 19 0.199 4.494 -16.792 135 2HH2 ARG 19 2HH2 ARG 19 0.367 2.771 -16.871 136 H THR 20 H THR 20 3.467 2.541 -8.481 137 HA THR 20 HA THR 20 6.304 2.847 -8.608 138 HB THR 20 HB THR 20 4.141 2.651 -6.619 139 HG1 THR 20 HG1 THR 20 5.380 4.490 -6.455 140 1HG2 THR 20 1HG2 THR 20 5.959 1.936 -4.847 141 2HG2 THR 20 2HG2 THR 20 5.080 0.654 -5.715 142 3HG2 THR 20 3HG2 THR 20 6.729 1.101 -6.217 143 H VAL 21 H VAL 21 4.360 0.030 -7.408 144 HA VAL 21 HA VAL 21 6.314 -1.805 -7.357 145 HB VAL 21 HB VAL 21 3.533 -2.297 -8.434 146 1HG1 VAL 21 1HG1 VAL 21 4.849 -4.206 -6.581 147 2HG1 VAL 21 2HG1 VAL 21 3.829 -4.504 -8.009 148 3HG1 VAL 21 3HG1 VAL 21 5.549 -4.093 -8.214 149 1HG2 VAL 21 1HG2 VAL 21 3.042 -1.114 -6.508 150 2HG2 VAL 21 2HG2 VAL 21 3.142 -2.776 -5.879 151 3HG2 VAL 21 3HG2 VAL 21 4.512 -1.660 -5.665 152 H ILE 22 H ILE 22 4.925 -0.266 -10.211 153 HA ILE 22 HA ILE 22 5.776 -2.217 -12.069 154 HB ILE 22 HB ILE 22 4.842 0.624 -12.202 155 1HG1 ILE 22 1HG1 ILE 22 3.127 -1.026 -11.913 156 2HG1 ILE 22 2HG1 ILE 22 3.040 -0.419 -13.555 157 1HG2 ILE 22 1HG2 ILE 22 4.990 0.495 -14.681 158 2HG2 ILE 22 2HG2 ILE 22 6.573 0.574 -13.871 159 3HG2 ILE 22 3HG2 ILE 22 5.977 -0.976 -14.510 160 1HD1 ILE 22 1HD1 ILE 22 4.783 -2.536 -13.875 161 2HD1 ILE 22 2HD1 ILE 22 3.721 -3.138 -12.580 162 3HD1 ILE 22 3HD1 ILE 22 3.025 -2.629 -14.137 163 H HIS 23 H HIS 23 7.106 1.069 -11.250 164 HA HIS 23 HA HIS 23 9.616 0.214 -12.433 165 1HB HIS 23 1HB HIS 23 8.235 2.769 -11.988 166 2HB HIS 23 2HB HIS 23 9.943 2.826 -11.597 167 HD1 HIS 23 HD1 HIS 23 8.996 4.459 -13.975 168 HD2 HIS 23 HD2 HIS 23 10.282 0.481 -14.311 169 HE1 HIS 23 HE1 HIS 23 9.708 4.141 -16.404 170 HE2 HIS 23 HE2 HIS 23 10.539 1.694 -16.537 171 H GLU 24 H GLU 24 8.430 -0.759 -9.772 172 HA GLU 24 HA GLU 24 10.889 -0.454 -8.344 173 1HB GLU 24 1HB GLU 24 8.305 0.772 -7.401 174 2HB GLU 24 2HB GLU 24 9.349 0.039 -6.199 175 1HG GLU 24 1HG GLU 24 10.247 2.181 -6.214 176 2HG GLU 24 2HG GLU 24 11.251 1.448 -7.450 177 H ILE 25 H ILE 25 10.284 -1.667 -5.944 178 HA ILE 25 HA ILE 25 10.048 -3.688 -5.078 179 HB ILE 25 HB ILE 25 7.522 -4.061 -6.641 180 1HG1 ILE 25 1HG1 ILE 25 7.712 -1.634 -6.026 181 2HG1 ILE 25 2HG1 ILE 25 6.329 -2.469 -5.346 182 1HG2 ILE 25 1HG2 ILE 25 7.454 -5.749 -5.174 183 2HG2 ILE 25 2HG2 ILE 25 8.702 -5.026 -4.131 184 3HG2 ILE 25 3HG2 ILE 25 7.007 -4.502 -3.985 185 1HD1 ILE 25 1HD1 ILE 25 7.330 -1.114 -3.591 186 2HD1 ILE 25 2HD1 ILE 25 7.658 -2.822 -3.214 187 3HD1 ILE 25 3HD1 ILE 25 8.939 -1.804 -3.913 188 H TYR 26 H TYR 26 11.996 -4.065 -6.630 189 HA TYR 26 HA TYR 26 11.619 -5.525 -8.986 190 1HB TYR 26 1HB TYR 26 13.764 -5.034 -6.876 191 2HB TYR 26 2HB TYR 26 14.082 -6.274 -8.073 192 HD1 TYR 26 HD1 TYR 26 13.199 -5.277 -10.587 193 HD2 TYR 26 HD2 TYR 26 14.919 -3.085 -7.341 194 HE1 TYR 26 HE1 TYR 26 14.007 -3.494 -12.210 195 HE2 TYR 26 HE2 TYR 26 15.722 -1.309 -8.974 196 HH TYR 26 HH TYR 26 16.017 -0.812 -11.086 197 H ASN 27 H ASN 27 10.146 -7.250 -8.759 198 HA ASN 27 HA ASN 27 11.010 -9.676 -8.341 199 1HB ASN 27 1HB ASN 27 9.953 -10.095 -5.887 200 2HB ASN 27 2HB ASN 27 11.642 -9.678 -6.096 201 1HD2 ASN 27 1HD2 ASN 27 8.977 -7.481 -6.717 202 2HD2 ASN 27 2HD2 ASN 27 9.262 -6.378 -5.412 203 H GLU 28 H GLU 28 8.688 -7.332 -8.695 204 HA GLU 28 HA GLU 28 6.480 -7.242 -8.761 205 1HB GLU 28 1HB GLU 28 5.555 -8.701 -10.495 206 2HB GLU 28 2HB GLU 28 7.181 -8.224 -10.940 207 1HG GLU 28 1HG GLU 28 7.993 -10.424 -9.873 208 2HG GLU 28 2HG GLU 28 6.309 -10.895 -9.755 209 H THR 29 H THR 29 7.183 -8.276 -6.244 210 HA THR 29 HA THR 29 5.573 -10.649 -5.802 211 HB THR 29 HB THR 29 7.696 -9.082 -4.421 212 HG1 THR 29 HG1 THR 29 8.084 -11.360 -3.801 213 1HG2 THR 29 1HG2 THR 29 5.265 -10.162 -2.968 214 2HG2 THR 29 2HG2 THR 29 6.874 -10.411 -2.249 215 3HG2 THR 29 3HG2 THR 29 6.284 -8.761 -2.558 216 H VAL 30 H VAL 30 5.677 -7.537 -3.965 217 HA VAL 30 HA VAL 30 3.185 -7.718 -2.916 218 HB VAL 30 HB VAL 30 3.356 -5.431 -2.440 219 1HG1 VAL 30 1HG1 VAL 30 6.281 -5.959 -2.823 220 2HG1 VAL 30 2HG1 VAL 30 5.409 -5.325 -1.407 221 3HG1 VAL 30 3HG1 VAL 30 5.341 -7.062 -1.790 222 1HG2 VAL 30 1HG2 VAL 30 4.769 -3.848 -3.693 223 2HG2 VAL 30 2HG2 VAL 30 5.205 -5.143 -4.833 224 3HG2 VAL 30 3HG2 VAL 30 3.520 -4.579 -4.729 225 H LYS 31 H LYS 31 4.102 -7.098 -6.255 226 HA LYS 31 HA LYS 31 1.871 -5.744 -7.152 227 1HB LYS 31 1HB LYS 31 4.118 -6.453 -8.311 228 2HB LYS 31 2HB LYS 31 3.207 -7.862 -8.814 229 1HG LYS 31 1HG LYS 31 1.564 -5.512 -9.235 230 2HG LYS 31 2HG LYS 31 3.141 -5.219 -9.940 231 1HD LYS 31 1HD LYS 31 2.902 -6.882 -11.535 232 2HD LYS 31 2HD LYS 31 1.980 -7.925 -10.472 233 1HE LYS 31 1HE LYS 31 0.266 -7.271 -11.891 234 2HE LYS 31 2HE LYS 31 0.141 -5.977 -10.716 235 1HZ LYS 31 1HZ LYS 31 1.692 -4.720 -12.163 236 2HZ LYS 31 2HZ LYS 31 1.533 -5.886 -13.296 237 3HZ LYS 31 3HZ LYS 31 0.232 -5.012 -12.835 238 H THR 32 H THR 32 2.141 -8.922 -5.806 239 HA THR 32 HA THR 32 -0.099 -10.043 -7.197 240 HB THR 32 HB THR 32 1.798 -11.391 -6.271 241 HG1 THR 32 HG1 THR 32 -0.349 -12.334 -6.428 242 1HG2 THR 32 1HG2 THR 32 0.636 -11.093 -3.507 243 2HG2 THR 32 2HG2 THR 32 2.295 -11.519 -3.992 244 3HG2 THR 32 3HG2 THR 32 1.757 -9.823 -4.054 245 H GLY 33 H GLY 33 0.443 -8.413 -4.036 246 1HA GLY 33 1HA GLY 33 -2.010 -8.869 -2.863 247 2HA GLY 33 2HA GLY 33 -1.019 -7.442 -2.631 248 H HIS 34 H HIS 34 -1.316 -5.562 -4.060 249 HA HIS 34 HA HIS 34 -2.420 -4.292 -5.533 250 1HB HIS 34 1HB HIS 34 -3.166 -6.585 -6.576 251 2HB HIS 34 2HB HIS 34 -4.698 -6.234 -5.801 252 HD1 HIS 34 HD1 HIS 34 -6.285 -4.765 -7.079 253 HD2 HIS 34 HD2 HIS 34 -2.331 -4.399 -8.432 254 HE1 HIS 34 HE1 HIS 34 -6.371 -3.268 -9.143 255 HE2 HIS 34 HE2 HIS 34 -3.907 -3.035 -9.897 256 H VAL 35 H VAL 35 -3.075 -5.284 -2.498 257 HA VAL 35 HA VAL 35 -4.201 -4.409 -0.810 258 HB VAL 35 HB VAL 35 -5.183 -2.248 -2.672 259 1HG1 VAL 35 1HG1 VAL 35 -6.072 -2.459 -0.292 260 2HG1 VAL 35 2HG1 VAL 35 -4.430 -2.045 0.254 261 3HG1 VAL 35 3HG1 VAL 35 -5.356 -0.891 -0.734 262 1HG2 VAL 35 1HG2 VAL 35 -2.862 -2.281 -3.113 263 2HG2 VAL 35 2HG2 VAL 35 -3.085 -1.009 -1.889 264 3HG2 VAL 35 3HG2 VAL 35 -2.456 -2.604 -1.410 265 H THR 36 H THR 36 -6.347 -3.623 -3.641 266 HA THR 36 HA THR 36 -8.401 -4.303 -4.156 267 HB THR 36 HB THR 36 -8.779 -6.592 -3.974 268 HG1 THR 36 HG1 THR 36 -9.378 -6.585 -1.756 269 1HG2 THR 36 1HG2 THR 36 -6.759 -7.745 -3.995 270 2HG2 THR 36 2HG2 THR 36 -6.090 -6.097 -4.060 271 3HG2 THR 36 3HG2 THR 36 -6.184 -6.958 -2.505 272 H HIS 37 H HIS 37 -7.564 -2.821 -1.471 273 HA HIS 37 HA HIS 37 -10.312 -2.478 -0.696 274 1HB HIS 37 1HB HIS 37 -9.095 -4.396 0.683 275 2HB HIS 37 2HB HIS 37 -8.429 -3.035 1.563 276 HD1 HIS 37 HD1 HIS 37 -11.368 -5.185 1.404 277 HD2 HIS 37 HD2 HIS 37 -10.568 -1.263 2.659 278 HE1 HIS 37 HE1 HIS 37 -13.323 -4.498 2.893 279 HE2 HIS 37 HE2 HIS 37 -12.748 -2.100 3.678 280 H VAL 38 H VAL 38 -7.230 -1.768 1.055 281 HA VAL 38 HA VAL 38 -6.199 0.133 1.508 282 HB VAL 38 HB VAL 38 -6.870 0.307 -1.188 283 1HG1 VAL 38 1HG1 VAL 38 -7.327 2.692 -1.570 284 2HG1 VAL 38 2HG1 VAL 38 -8.650 1.914 -0.667 285 3HG1 VAL 38 3HG1 VAL 38 -7.478 2.948 0.185 286 1HG2 VAL 38 1HG2 VAL 38 -4.679 0.696 0.254 287 2HG2 VAL 38 2HG2 VAL 38 -4.851 1.389 -1.376 288 3HG2 VAL 38 3HG2 VAL 38 -5.133 2.406 0.057 289 H LYS 39 H LYS 39 -6.650 1.392 3.242 290 HA LYS 39 HA LYS 39 -9.388 2.448 3.402 291 1HB LYS 39 1HB LYS 39 -9.177 0.749 5.047 292 2HB LYS 39 2HB LYS 39 -7.585 1.294 5.535 293 1HG LYS 39 1HG LYS 39 -9.254 2.035 7.183 294 2HG LYS 39 2HG LYS 39 -8.561 3.429 6.379 295 1HD LYS 39 1HD LYS 39 -11.022 2.250 5.125 296 2HD LYS 39 2HD LYS 39 -11.243 3.063 6.662 297 1HE LYS 39 1HE LYS 39 -9.641 4.892 5.379 298 2HE LYS 39 2HE LYS 39 -10.481 4.203 4.004 299 1HZ LYS 39 1HZ LYS 39 -12.410 5.071 4.675 300 2HZ LYS 39 2HZ LYS 39 -12.138 4.822 6.266 301 3HZ LYS 39 3HZ LYS 39 -11.478 6.115 5.518 302 H LEU 40 H LEU 40 -9.128 4.507 2.593 303 HA LEU 40 HA LEU 40 -6.825 6.043 3.009 304 1HB LEU 40 1HB LEU 40 -8.818 6.195 1.304 305 2HB LEU 40 2HB LEU 40 -9.509 7.263 2.510 306 HG LEU 40 HG LEU 40 -8.331 8.489 0.744 307 1HD1 LEU 40 1HD1 LEU 40 -6.851 9.872 2.226 308 2HD1 LEU 40 2HD1 LEU 40 -8.493 9.590 2.853 309 3HD1 LEU 40 3HD1 LEU 40 -7.119 8.670 3.512 310 1HD2 LEU 40 1HD2 LEU 40 -6.450 6.459 0.891 311 2HD2 LEU 40 2HD2 LEU 40 -6.313 7.969 -0.042 312 3HD2 LEU 40 3HD2 LEU 40 -5.611 7.864 1.590 313 H SER 41 H SER 41 -6.125 6.268 5.113 314 HA SER 41 HA SER 41 -8.067 6.955 7.108 315 1HB SER 41 1HB SER 41 -5.976 5.384 7.349 316 2HB SER 41 2HB SER 41 -5.065 6.870 7.527 317 HG SER 41 HG SER 41 -6.965 7.315 9.199 318 H ASP 42 H ASP 42 -8.520 9.037 7.761 319 HA ASP 42 HA ASP 42 -8.365 11.183 8.045 320 1HB ASP 42 1HB ASP 42 -5.505 10.412 7.856 321 2HB ASP 42 2HB ASP 42 -5.801 12.080 7.409 322 H ASP 43 H ASP 43 -5.623 11.192 5.706 323 HA ASP 43 HA ASP 43 -7.263 11.547 3.447 324 1HB ASP 43 1HB ASP 43 -6.306 13.929 4.953 325 2HB ASP 43 2HB ASP 43 -5.917 13.969 3.245 326 H LEU 44 H LEU 44 -5.436 9.676 3.542 327 HA LEU 44 HA LEU 44 -3.710 8.927 2.327 328 1HB LEU 44 1HB LEU 44 -2.710 11.722 1.852 329 2HB LEU 44 2HB LEU 44 -2.394 10.271 0.922 330 HG LEU 44 HG LEU 44 -5.241 11.078 1.064 331 1HD1 LEU 44 1HD1 LEU 44 -3.262 12.740 -0.519 332 2HD1 LEU 44 2HD1 LEU 44 -5.037 12.878 -0.552 333 3HD1 LEU 44 3HD1 LEU 44 -4.140 13.276 0.933 334 1HD2 LEU 44 1HD2 LEU 44 -5.370 10.160 -1.047 335 2HD2 LEU 44 2HD2 LEU 44 -3.672 10.526 -1.433 336 3HD2 LEU 44 3HD2 LEU 44 -4.064 9.198 -0.315 337 H LEU 45 H LEU 45 -3.765 10.824 5.118 338 HA LEU 45 HA LEU 45 -1.072 11.023 5.778 339 1HB LEU 45 1HB LEU 45 -3.478 11.727 6.893 340 2HB LEU 45 2HB LEU 45 -2.921 10.480 7.992 341 HG LEU 45 HG LEU 45 -1.451 13.023 7.249 342 1HD1 LEU 45 1HD1 LEU 45 -2.619 12.144 9.903 343 2HD1 LEU 45 2HD1 LEU 45 -1.812 13.689 9.543 344 3HD1 LEU 45 3HD1 LEU 45 -3.373 13.302 8.781 345 1HD2 LEU 45 1HD2 LEU 45 -0.554 10.914 9.226 346 2HD2 LEU 45 2HD2 LEU 45 0.058 11.044 7.560 347 3HD2 LEU 45 3HD2 LEU 45 0.321 12.376 8.710 348 H HIS 46 H HIS 46 -3.443 8.340 6.147 349 HA HIS 46 HA HIS 46 -1.172 6.565 6.487 350 1HB HIS 46 1HB HIS 46 -3.364 6.989 8.493 351 2HB HIS 46 2HB HIS 46 -2.692 5.383 8.291 352 HD1 HIS 46 HD1 HIS 46 -0.768 4.893 9.797 353 HD2 HIS 46 HD2 HIS 46 -1.089 8.988 8.946 354 HE1 HIS 46 HE1 HIS 46 1.066 6.049 11.143 355 HE2 HIS 46 HE2 HIS 46 0.854 8.556 10.536 356 H VAL 47 H VAL 47 -1.536 5.776 4.382 357 HA VAL 47 HA VAL 47 -4.196 4.872 3.708 358 HB VAL 47 HB VAL 47 -1.550 5.046 2.285 359 1HG1 VAL 47 1HG1 VAL 47 -3.644 3.137 1.765 360 2HG1 VAL 47 2HG1 VAL 47 -3.549 4.301 0.421 361 3HG1 VAL 47 3HG1 VAL 47 -2.104 3.383 0.907 362 1HG2 VAL 47 1HG2 VAL 47 -4.258 6.264 1.650 363 2HG2 VAL 47 2HG2 VAL 47 -2.954 7.091 2.536 364 3HG2 VAL 47 3HG2 VAL 47 -2.710 6.605 0.841 365 H THR 48 H THR 48 -4.712 3.136 5.053 366 HA THR 48 HA THR 48 -2.794 1.023 5.446 367 HB THR 48 HB THR 48 -5.701 1.515 6.260 368 HG1 THR 48 HG1 THR 48 -3.976 2.755 7.294 369 1HG2 THR 48 1HG2 THR 48 -4.236 -0.451 7.848 370 2HG2 THR 48 2HG2 THR 48 -5.836 -0.612 7.086 371 3HG2 THR 48 3HG2 THR 48 -4.366 -1.006 6.162 372 H VAL 49 H VAL 49 -2.253 -0.056 3.605 373 HA VAL 49 HA VAL 49 -4.368 -0.820 1.786 374 HB VAL 49 HB VAL 49 -2.509 -1.714 0.451 375 1HG1 VAL 49 1HG1 VAL 49 -2.701 1.100 1.358 376 2HG1 VAL 49 2HG1 VAL 49 -1.201 0.669 0.501 377 3HG1 VAL 49 3HG1 VAL 49 -2.779 0.410 -0.281 378 1HG2 VAL 49 1HG2 VAL 49 -0.261 -1.675 1.111 379 2HG2 VAL 49 2HG2 VAL 49 -0.577 -0.563 2.465 380 3HG2 VAL 49 3HG2 VAL 49 -1.116 -2.257 2.560 381 H TYR 50 H TYR 50 -5.389 -2.768 1.767 382 HA TYR 50 HA TYR 50 -4.646 -4.653 3.834 383 1HB TYR 50 1HB TYR 50 -6.860 -4.285 1.736 384 2HB TYR 50 2HB TYR 50 -6.791 -5.741 2.708 385 HD1 TYR 50 HD1 TYR 50 -6.431 -2.065 3.427 386 HD2 TYR 50 HD2 TYR 50 -8.364 -5.755 4.402 387 HE1 TYR 50 HE1 TYR 50 -7.737 -0.902 5.273 388 HE2 TYR 50 HE2 TYR 50 -9.663 -4.580 6.244 389 HH TYR 50 HH TYR 50 -9.894 -1.258 6.448 390 H LEU 51 H LEU 51 -3.188 -4.091 1.040 391 HA LEU 51 HA LEU 51 -2.335 -5.288 -0.645 392 1HB LEU 51 1HB LEU 51 -1.858 -7.264 1.587 393 2HB LEU 51 2HB LEU 51 -0.935 -7.107 0.106 394 HG LEU 51 HG LEU 51 -0.924 -5.388 2.553 395 1HD1 LEU 51 1HD1 LEU 51 1.202 -6.520 0.718 396 2HD1 LEU 51 2HD1 LEU 51 1.534 -5.432 2.087 397 3HD1 LEU 51 3HD1 LEU 51 0.806 -7.031 2.376 398 1HD2 LEU 51 1HD2 LEU 51 0.412 -3.704 1.072 399 2HD2 LEU 51 2HD2 LEU 51 -0.556 -4.391 -0.254 400 3HD2 LEU 51 3HD2 LEU 51 -1.365 -3.624 1.133 401 H ASP 52 H ASP 52 -2.959 -8.415 0.807 402 HA ASP 52 HA ASP 52 -4.410 -9.997 0.385 403 1HB ASP 52 1HB ASP 52 -5.955 -7.710 -0.255 404 2HB ASP 52 2HB ASP 52 -6.114 -8.749 -1.657 405 H CYS 53 H CYS 53 -2.913 -11.273 -0.822 406 HA CYS 53 HA CYS 53 -2.343 -10.575 -3.542 407 1HB CYS 53 1HB CYS 53 -0.815 -12.446 -3.514 408 2HB CYS 53 2HB CYS 53 -0.603 -11.512 -2.047 409 HG CYS 53 HG CYS 53 -1.571 -14.515 -2.586 410 H TYR 54 H TYR 54 -2.446 -12.653 -5.140 411 HA TYR 54 HA TYR 54 -5.242 -13.339 -5.238 412 1HB TYR 54 1HB TYR 54 -4.448 -14.297 -7.451 413 2HB TYR 54 2HB TYR 54 -3.898 -12.647 -7.240 414 HD1 TYR 54 HD1 TYR 54 -1.988 -14.517 -5.011 415 HD2 TYR 54 HD2 TYR 54 -2.417 -13.800 -9.208 416 HE1 TYR 54 HE1 TYR 54 0.411 -15.268 -5.392 417 HE2 TYR 54 HE2 TYR 54 -0.016 -14.554 -9.574 418 HH TYR 54 HH TYR 54 2.090 -15.249 -6.849 419 H ASN 55 H ASN 55 -3.551 -14.477 -3.021 420 HA ASN 55 HA ASN 55 -4.477 -17.131 -3.328 421 1HB ASN 55 1HB ASN 55 -1.471 -16.568 -3.267 422 2HB ASN 55 2HB ASN 55 -2.138 -18.126 -2.822 423 1HD2 ASN 55 1HD2 ASN 55 -3.864 -18.927 -4.455 424 2HD2 ASN 55 2HD2 ASN 55 -3.405 -18.883 -6.125 425 H ARG 56 H ARG 56 -1.609 -17.022 -1.416 426 HA ARG 56 HA ARG 56 -2.368 -15.533 0.745 427 1HB ARG 56 1HB ARG 56 -4.224 -17.359 0.786 428 2HB ARG 56 2HB ARG 56 -2.963 -18.483 1.254 429 1HG ARG 56 1HG ARG 56 -4.182 -17.526 3.227 430 2HG ARG 56 2HG ARG 56 -2.462 -17.191 3.272 431 1HD ARG 56 1HD ARG 56 -2.746 -14.907 2.766 432 2HD ARG 56 2HD ARG 56 -4.273 -15.166 1.948 433 HE ARG 56 HE ARG 56 -3.945 -14.574 4.732 434 1HH1 ARG 56 1HH1 ARG 56 -5.846 -16.643 2.614 435 2HH1 ARG 56 2HH1 ARG 56 -7.195 -16.729 3.696 436 1HH2 ARG 56 1HH2 ARG 56 -5.725 -14.687 6.161 437 2HH2 ARG 56 2HH2 ARG 56 -7.126 -15.609 5.728 438 H GLU 57 H GLU 57 -0.785 -18.413 -0.624 439 HA GLU 57 HA GLU 57 1.121 -18.556 1.494 440 1HB GLU 57 1HB GLU 57 2.150 -20.345 0.084 441 2HB GLU 57 2HB GLU 57 0.443 -20.615 0.375 442 1HG GLU 57 1HG GLU 57 -0.137 -19.744 -1.847 443 2HG GLU 57 2HG GLU 57 1.519 -19.250 -2.135 444 H GLN 58 H GLN 58 0.728 -16.080 -0.360 445 HA GLN 58 HA GLN 58 3.530 -15.928 -1.164 446 1HB GLN 58 1HB GLN 58 2.091 -13.921 -2.558 447 2HB GLN 58 2HB GLN 58 2.806 -15.374 -3.228 448 1HG GLN 58 1HG GLN 58 0.114 -15.574 -1.863 449 2HG GLN 58 2HG GLN 58 0.191 -14.898 -3.478 450 1HE2 GLN 58 1HE2 GLN 58 2.107 -16.275 -4.732 451 2HE2 GLN 58 2HE2 GLN 58 1.728 -17.960 -4.857 452 H ILE 59 H ILE 59 0.690 -14.285 0.293 453 HA ILE 59 HA ILE 59 1.403 -11.793 0.712 454 HB ILE 59 HB ILE 59 -0.331 -13.549 1.891 455 1HG1 ILE 59 1HG1 ILE 59 -0.885 -11.316 3.273 456 2HG1 ILE 59 2HG1 ILE 59 0.235 -10.630 2.113 457 1HG2 ILE 59 1HG2 ILE 59 -0.083 -13.207 4.335 458 2HG2 ILE 59 2HG2 ILE 59 1.207 -14.208 3.626 459 3HG2 ILE 59 3HG2 ILE 59 1.528 -12.508 4.044 460 1HD1 ILE 59 1HD1 ILE 59 -2.164 -12.354 1.345 461 2HD1 ILE 59 2HD1 ILE 59 -2.158 -10.574 1.337 462 3HD1 ILE 59 3HD1 ILE 59 -1.090 -11.472 0.232 463 H ASP 60 H ASP 60 2.834 -14.577 2.534 464 HA ASP 60 HA ASP 60 4.372 -13.345 4.286 465 1HB ASP 60 1HB ASP 60 4.703 -15.768 2.577 466 2HB ASP 60 2HB ASP 60 6.192 -15.174 3.284 467 H ARG 61 H ARG 61 5.075 -13.785 0.753 468 HA ARG 61 HA ARG 61 7.539 -12.406 0.956 469 1HB ARG 61 1HB ARG 61 7.766 -12.847 -1.385 470 2HB ARG 61 2HB ARG 61 6.880 -14.227 -0.767 471 1HG ARG 61 1HG ARG 61 4.764 -13.345 -1.573 472 2HG ARG 61 2HG ARG 61 5.476 -11.784 -1.931 473 1HD ARG 61 1HD ARG 61 7.077 -13.173 -3.529 474 2HD ARG 61 2HD ARG 61 5.841 -14.409 -3.409 475 HE ARG 61 HE ARG 61 4.838 -11.713 -4.069 476 1HH1 ARG 61 1HH1 ARG 61 5.926 -14.825 -5.300 477 2HH1 ARG 61 2HH1 ARG 61 5.146 -14.634 -6.835 478 1HH2 ARG 61 1HH2 ARG 61 3.809 -11.461 -6.094 479 2HH2 ARG 61 2HH2 ARG 61 3.934 -12.708 -7.290 480 H VAL 62 H VAL 62 4.147 -11.627 0.268 481 HA VAL 62 HA VAL 62 4.640 -9.156 -1.025 482 HB VAL 62 HB VAL 62 2.173 -10.032 0.481 483 1HG1 VAL 62 1HG1 VAL 62 1.709 -8.622 -1.994 484 2HG1 VAL 62 2HG1 VAL 62 1.218 -8.190 -0.338 485 3HG1 VAL 62 3HG1 VAL 62 2.808 -7.681 -0.956 486 1HG2 VAL 62 1HG2 VAL 62 3.079 -10.758 -2.322 487 2HG2 VAL 62 2HG2 VAL 62 2.737 -11.861 -0.968 488 3HG2 VAL 62 3HG2 VAL 62 1.411 -10.952 -1.732 489 H VAL 63 H VAL 63 3.346 -9.904 2.295 490 HA VAL 63 HA VAL 63 3.549 -7.327 3.254 491 HB VAL 63 HB VAL 63 3.705 -10.020 4.610 492 1HG1 VAL 63 1HG1 VAL 63 3.399 -8.977 6.730 493 2HG1 VAL 63 2HG1 VAL 63 4.771 -8.150 5.954 494 3HG1 VAL 63 3HG1 VAL 63 3.169 -7.375 5.989 495 1HG2 VAL 63 1HG2 VAL 63 1.335 -8.512 5.187 496 2HG2 VAL 63 2HG2 VAL 63 1.580 -8.544 3.424 497 3HG2 VAL 63 3HG2 VAL 63 1.494 -10.069 4.339 498 H GLY 64 H GLY 64 5.990 -9.962 3.075 499 1HA GLY 64 1HA GLY 64 7.968 -8.656 4.618 500 2HA GLY 64 2HA GLY 64 8.202 -9.977 3.490 501 H ALA 65 H ALA 65 6.984 -8.515 1.174 502 HA ALA 65 HA ALA 65 9.367 -7.148 0.374 503 1HB ALA 65 1HB ALA 65 6.789 -8.047 -0.865 504 2HB ALA 65 2HB ALA 65 7.696 -6.750 -1.678 505 3HB ALA 65 3HB ALA 65 8.466 -8.329 -1.390 506 H PHE 66 H PHE 66 5.950 -6.286 1.164 507 HA PHE 66 HA PHE 66 6.063 -3.625 0.458 508 1HB PHE 66 1HB PHE 66 4.535 -5.474 2.245 509 2HB PHE 66 2HB PHE 66 4.473 -3.808 2.783 510 HD1 PHE 66 HD1 PHE 66 3.387 -6.179 0.260 511 HD2 PHE 66 HD2 PHE 66 3.459 -2.076 1.342 512 HE1 PHE 66 HE1 PHE 66 1.575 -5.706 -1.412 513 HE2 PHE 66 HE2 PHE 66 1.648 -1.603 -0.330 514 HZ PHE 66 HZ PHE 66 0.727 -3.424 -1.687 515 H ASN 67 H ASN 67 7.484 -5.326 3.216 516 HA ASN 67 HA ASN 67 7.740 -3.050 4.837 517 1HB ASN 67 1HB ASN 67 8.392 -5.870 4.958 518 2HB ASN 67 2HB ASN 67 9.836 -4.974 5.381 519 1HD2 ASN 67 1HD2 ASN 67 9.377 -3.015 6.846 520 2HD2 ASN 67 2HD2 ASN 67 8.370 -3.304 8.225 521 H GLN 68 H GLN 68 9.804 -4.800 2.441 522 HA GLN 68 HA GLN 68 12.042 -3.127 2.916 523 1HB GLN 68 1HB GLN 68 11.369 -5.236 0.838 524 2HB GLN 68 2HB GLN 68 12.841 -4.292 0.722 525 1HG GLN 68 1HG GLN 68 12.934 -5.053 3.372 526 2HG GLN 68 2HG GLN 68 12.107 -6.430 2.671 527 1HE2 GLN 68 1HE2 GLN 68 14.446 -6.952 3.720 528 2HE2 GLN 68 2HE2 GLN 68 15.689 -7.204 2.541 529 H ALA 69 H ALA 69 9.094 -2.857 1.126 530 HA ALA 69 HA ALA 69 10.149 -1.151 -0.928 531 1HB ALA 69 1HB ALA 69 7.757 -0.911 -1.525 532 2HB ALA 69 2HB ALA 69 8.210 -2.619 -1.317 533 3HB ALA 69 3HB ALA 69 7.304 -1.777 -0.037 534 H LYS 70 H LYS 70 7.468 -0.469 1.408 535 HA LYS 70 HA LYS 70 6.848 1.569 2.159 536 1HB LYS 70 1HB LYS 70 7.938 0.550 4.034 537 2HB LYS 70 2HB LYS 70 9.526 1.008 3.454 538 1HG LYS 70 1HG LYS 70 8.510 3.479 3.551 539 2HG LYS 70 2HG LYS 70 7.376 2.752 4.671 540 1HD LYS 70 1HD LYS 70 10.135 1.921 5.257 541 2HD LYS 70 2HD LYS 70 9.982 3.667 5.265 542 1HE LYS 70 1HE LYS 70 8.382 3.658 7.014 543 2HE LYS 70 2HE LYS 70 7.901 2.001 6.706 544 1HZ LYS 70 1HZ LYS 70 10.543 2.780 7.730 545 2HZ LYS 70 2HZ LYS 70 9.308 2.257 8.663 546 3HZ LYS 70 3HZ LYS 70 9.981 1.256 7.561 547 H GLY 71 H GLY 71 10.303 2.472 2.255 548 1HA GLY 71 1HA GLY 71 10.412 4.941 1.591 549 2HA GLY 71 2HA GLY 71 11.443 3.818 0.728 550 H VAL 72 H VAL 72 9.900 2.506 -1.071 551 HA VAL 72 HA VAL 72 9.502 4.369 -3.078 552 HB VAL 72 HB VAL 72 8.301 2.461 -4.199 553 1HG1 VAL 72 1HG1 VAL 72 10.988 1.791 -2.952 554 2HG1 VAL 72 2HG1 VAL 72 10.312 1.115 -4.454 555 3HG1 VAL 72 3HG1 VAL 72 10.745 2.840 -4.370 556 1HG2 VAL 72 1HG2 VAL 72 7.286 1.087 -2.697 557 2HG2 VAL 72 2HG2 VAL 72 8.851 0.243 -2.775 558 3HG2 VAL 72 3HG2 VAL 72 8.514 1.369 -1.439 559 H PHE 73 H PHE 73 6.943 2.452 -1.336 560 HA PHE 73 HA PHE 73 4.777 3.749 -2.324 561 1HB PHE 73 1HB PHE 73 5.299 2.866 0.578 562 2HB PHE 73 2HB PHE 73 3.718 2.981 -0.170 563 HD1 PHE 73 HD1 PHE 73 4.746 1.777 -2.881 564 HD2 PHE 73 HD2 PHE 73 5.016 0.544 1.170 565 HE1 PHE 73 HE1 PHE 73 4.921 -0.615 -3.621 566 HE2 PHE 73 HE2 PHE 73 5.192 -1.848 0.431 567 HZ PHE 73 HZ PHE 73 5.142 -2.399 -1.956 568 H SER 74 H SER 74 6.629 4.631 0.679 569 HA SER 74 HA SER 74 5.080 6.781 1.356 570 1HB SER 74 1HB SER 74 6.939 5.670 2.705 571 2HB SER 74 2HB SER 74 8.096 6.571 1.745 572 HG SER 74 HG SER 74 6.146 8.266 2.703 573 H ARG 75 H ARG 75 7.649 6.424 -1.088 574 HA ARG 75 HA ARG 75 8.226 9.091 -1.439 575 1HB ARG 75 1HB ARG 75 9.159 6.761 -2.506 576 2HB ARG 75 2HB ARG 75 8.181 7.298 -3.857 577 1HG ARG 75 1HG ARG 75 9.436 9.308 -4.133 578 2HG ARG 75 2HG ARG 75 10.111 9.221 -2.518 579 1HD ARG 75 1HD ARG 75 11.948 8.282 -3.491 580 2HD ARG 75 2HD ARG 75 10.988 6.824 -3.646 581 HE ARG 75 HE ARG 75 10.233 8.224 -5.881 582 1HH1 ARG 75 1HH1 ARG 75 13.390 7.435 -4.542 583 2HH1 ARG 75 2HH1 ARG 75 14.180 7.410 -6.083 584 1HH2 ARG 75 1HH2 ARG 75 11.274 8.191 -7.915 585 2HH2 ARG 75 2HH2 ARG 75 12.968 7.843 -8.015 586 H VAL 76 H VAL 76 5.602 7.002 -2.711 587 HA VAL 76 HA VAL 76 4.681 8.607 -4.756 588 HB VAL 76 HB VAL 76 3.157 6.830 -2.840 589 1HG1 VAL 76 1HG1 VAL 76 1.542 8.163 -3.963 590 2HG1 VAL 76 2HG1 VAL 76 2.399 8.026 -5.518 591 3HG1 VAL 76 3HG1 VAL 76 1.580 6.606 -4.824 592 1HG2 VAL 76 1HG2 VAL 76 3.406 5.131 -4.652 593 2HG2 VAL 76 2HG2 VAL 76 4.502 6.249 -5.498 594 3HG2 VAL 76 3HG2 VAL 76 4.949 5.604 -3.900 595 H LEU 77 H LEU 77 3.238 8.423 -1.420 596 HA LEU 77 HA LEU 77 1.706 10.702 -1.693 597 1HB LEU 77 1HB LEU 77 2.889 9.826 0.923 598 2HB LEU 77 2HB LEU 77 1.324 10.548 0.607 599 HG LEU 77 HG LEU 77 1.377 8.119 -0.850 600 1HD1 LEU 77 1HD1 LEU 77 1.784 7.169 1.880 601 2HD1 LEU 77 2HD1 LEU 77 2.420 6.548 0.338 602 3HD1 LEU 77 3HD1 LEU 77 3.253 7.882 1.171 603 1HD2 LEU 77 1HD2 LEU 77 -0.532 9.351 0.283 604 2HD2 LEU 77 2HD2 LEU 77 -0.531 7.577 0.428 605 3HD2 LEU 77 3HD2 LEU 77 -0.002 8.582 1.798 606 H ALA 78 H ALA 78 5.163 10.312 -1.208 607 HA ALA 78 HA ALA 78 5.739 12.740 0.018 608 1HB ALA 78 1HB ALA 78 7.932 12.167 -0.409 609 2HB ALA 78 2HB ALA 78 7.165 10.581 -0.660 610 3HB ALA 78 3HB ALA 78 7.578 11.601 -2.059 611 H HIS 79 H HIS 79 5.353 11.840 -3.463 612 HA HIS 79 HA HIS 79 6.153 14.145 -4.629 613 1HB HIS 79 1HB HIS 79 5.616 12.581 -6.179 614 2HB HIS 79 2HB HIS 79 4.229 11.993 -5.284 615 HD1 HIS 79 HD1 HIS 79 4.983 15.409 -6.888 616 HD2 HIS 79 HD2 HIS 79 2.032 12.428 -6.828 617 HE1 HIS 79 HE1 HIS 79 3.091 16.246 -8.382 618 HE2 HIS 79 HE2 HIS 79 1.332 14.348 -8.350 619 H ASN 80 H ASN 80 3.311 13.581 -2.613 620 HA ASN 80 HA ASN 80 2.233 16.145 -3.407 621 1HB ASN 80 1HB ASN 80 1.198 13.774 -1.816 622 2HB ASN 80 2HB ASN 80 0.431 15.335 -1.603 623 1HD2 ASN 80 1HD2 ASN 80 -1.146 13.470 -2.507 624 2HD2 ASN 80 2HD2 ASN 80 -1.493 13.610 -4.198 625 H LEU 81 H LEU 81 2.089 14.519 -0.181 626 HA LEU 81 HA LEU 81 3.082 16.976 1.025 627 1HB LEU 81 1HB LEU 81 1.806 14.544 2.283 628 2HB LEU 81 2HB LEU 81 2.217 16.037 3.102 629 HG LEU 81 HG LEU 81 0.252 15.908 0.804 630 1HD1 LEU 81 1HD1 LEU 81 -0.734 16.199 3.594 631 2HD1 LEU 81 2HD1 LEU 81 -1.490 15.434 2.176 632 3HD1 LEU 81 3HD1 LEU 81 -0.217 14.576 3.077 633 1HD2 LEU 81 1HD2 LEU 81 1.403 18.051 2.399 634 2HD2 LEU 81 2HD2 LEU 81 0.444 18.122 0.901 635 3HD2 LEU 81 3HD2 LEU 81 -0.375 18.036 2.479 636 H TYR 82 H TYR 82 4.130 15.907 3.428 637 HA TYR 82 HA TYR 82 6.081 13.920 2.853 638 1HB TYR 82 1HB TYR 82 6.609 16.515 1.925 639 2HB TYR 82 2HB TYR 82 7.298 16.589 3.534 640 HD1 TYR 82 HD1 TYR 82 9.246 15.212 4.138 641 HD2 TYR 82 HD2 TYR 82 7.598 15.111 0.191 642 HE1 TYR 82 HE1 TYR 82 11.353 14.078 3.280 643 HE2 TYR 82 HE2 TYR 82 9.711 13.978 -0.654 644 HH TYR 82 HH TYR 82 12.194 13.967 0.159 645 H LEU 83 H LEU 83 7.712 13.779 4.751 646 HA LEU 83 HA LEU 83 8.221 13.995 6.933 647 1HB LEU 83 1HB LEU 83 6.772 16.238 6.675 648 2HB LEU 83 2HB LEU 83 5.693 15.335 7.721 649 HG LEU 83 HG LEU 83 8.446 16.384 8.273 650 1HD1 LEU 83 1HD1 LEU 83 6.669 16.403 10.511 651 2HD1 LEU 83 2HD1 LEU 83 7.316 17.774 9.577 652 3HD1 LEU 83 3HD1 LEU 83 5.792 16.999 9.081 653 1HD2 LEU 83 1HD2 LEU 83 8.825 14.124 8.841 654 2HD2 LEU 83 2HD2 LEU 83 8.450 14.954 10.371 655 3HD2 LEU 83 3HD2 LEU 83 7.212 13.952 9.574 656 H ALA 84 H ALA 84 7.964 12.391 8.469 657 HA ALA 84 HA ALA 84 6.461 10.205 7.914 658 1HB ALA 84 1HB ALA 84 7.251 9.402 9.927 659 2HB ALA 84 2HB ALA 84 8.329 10.805 9.733 660 3HB ALA 84 3HB ALA 84 6.904 10.918 10.793 661 H LYS 85 H LYS 85 5.626 12.492 10.618 662 HA LYS 85 HA LYS 85 2.954 11.538 10.670 663 1HB LYS 85 1HB LYS 85 2.636 13.149 12.433 664 2HB LYS 85 2HB LYS 85 4.174 12.343 12.664 665 1HG LYS 85 1HG LYS 85 4.920 14.495 11.082 666 2HG LYS 85 2HG LYS 85 3.610 15.191 12.016 667 1HD LYS 85 1HD LYS 85 5.170 13.663 13.861 668 2HD LYS 85 2HD LYS 85 6.318 14.541 12.870 669 1HE LYS 85 1HE LYS 85 4.285 16.431 13.427 670 2HE LYS 85 2HE LYS 85 4.490 15.558 14.932 671 1HZ LYS 85 1HZ LYS 85 6.663 16.797 13.391 672 2HZ LYS 85 2HZ LYS 85 6.010 17.394 14.763 673 3HZ LYS 85 3HZ LYS 85 6.847 15.992 14.800 674 H ALA 86 H ALA 86 2.712 11.864 8.221 675 HA ALA 86 HA ALA 86 1.062 14.125 7.833 676 1HB ALA 86 1HB ALA 86 3.518 14.999 7.639 677 2HB ALA 86 2HB ALA 86 3.521 14.146 6.077 678 3HB ALA 86 3HB ALA 86 2.343 15.446 6.379 679 H VAL 87 H VAL 87 3.159 11.602 6.307 680 HA VAL 87 HA VAL 87 0.838 10.445 5.088 681 HB VAL 87 HB VAL 87 1.753 10.587 2.792 682 1HG1 VAL 87 1HG1 VAL 87 1.269 13.361 3.904 683 2HG1 VAL 87 2HG1 VAL 87 0.834 12.718 2.302 684 3HG1 VAL 87 3HG1 VAL 87 -0.021 12.144 3.754 685 1HG2 VAL 87 1HG2 VAL 87 3.481 12.146 2.206 686 2HG2 VAL 87 2HG2 VAL 87 3.577 12.755 3.875 687 3HG2 VAL 87 3HG2 VAL 87 4.111 11.099 3.500 688 H GLN 88 H GLN 88 1.154 8.248 4.714 689 HA GLN 88 HA GLN 88 3.615 7.101 4.270 690 1HB GLN 88 1HB GLN 88 3.903 7.907 6.717 691 2HB GLN 88 2HB GLN 88 2.754 6.657 7.152 692 1HG GLN 88 1HG GLN 88 4.194 4.899 6.342 693 2HG GLN 88 2HG GLN 88 5.222 6.029 5.484 694 1HE2 GLN 88 1HE2 GLN 88 7.130 5.806 6.419 695 2HE2 GLN 88 2HE2 GLN 88 7.482 6.011 8.103 696 H ILE 89 H ILE 89 3.091 5.218 3.241 697 HA ILE 89 HA ILE 89 0.414 4.252 3.429 698 HB ILE 89 HB ILE 89 2.852 3.627 1.832 699 1HG1 ILE 89 1HG1 ILE 89 -0.005 4.049 0.938 700 2HG1 ILE 89 2HG1 ILE 89 1.082 5.385 1.264 701 1HG2 ILE 89 1HG2 ILE 89 2.060 1.421 2.561 702 2HG2 ILE 89 2HG2 ILE 89 0.431 1.808 1.955 703 3HG2 ILE 89 3HG2 ILE 89 1.797 1.680 0.820 704 1HD1 ILE 89 1HD1 ILE 89 1.759 3.112 -0.656 705 2HD1 ILE 89 2HD1 ILE 89 1.024 4.652 -1.164 706 3HD1 ILE 89 3HD1 ILE 89 2.650 4.638 -0.439 707 H HIS 90 H HIS 90 -0.394 2.724 4.770 708 HA HIS 90 HA HIS 90 1.559 1.306 6.409 709 1HB HIS 90 1HB HIS 90 -0.148 2.726 7.528 710 2HB HIS 90 2HB HIS 90 -1.411 1.720 6.849 711 HD1 HIS 90 HD1 HIS 90 0.587 2.084 9.827 712 HD2 HIS 90 HD2 HIS 90 -1.048 -1.161 7.732 713 HE1 HIS 90 HE1 HIS 90 0.547 0.126 11.461 714 HE2 HIS 90 HE2 HIS 90 -0.518 -1.824 10.134 715 H PHE 91 H PHE 91 1.686 -0.936 6.438 716 HA PHE 91 HA PHE 91 0.233 -2.241 4.285 717 1HB PHE 91 1HB PHE 91 2.045 -3.808 4.413 718 2HB PHE 91 2HB PHE 91 2.823 -2.303 4.861 719 HD1 PHE 91 HD1 PHE 91 1.137 -5.258 6.379 720 HD2 PHE 91 HD2 PHE 91 4.017 -2.177 6.850 721 HE1 PHE 91 HE1 PHE 91 1.886 -6.288 8.542 722 HE2 PHE 91 HE2 PHE 91 4.766 -3.207 9.012 723 HZ PHE 91 HZ PHE 91 3.692 -5.250 9.833 724 H VAL 92 H VAL 92 -1.259 -3.888 4.581 725 HA VAL 92 HA VAL 92 -1.633 -4.854 7.313 726 HB VAL 92 HB VAL 92 -3.592 -3.371 5.605 727 1HG1 VAL 92 1HG1 VAL 92 -4.390 -5.422 7.698 728 2HG1 VAL 92 2HG1 VAL 92 -5.481 -4.335 6.805 729 3HG1 VAL 92 3HG1 VAL 92 -4.591 -5.611 5.940 730 1HG2 VAL 92 1HG2 VAL 92 -2.504 -3.236 8.363 731 2HG2 VAL 92 2HG2 VAL 92 -3.010 -1.935 7.260 732 3HG2 VAL 92 3HG2 VAL 92 -4.230 -2.843 8.183 733 H LYS 93 H LYS 93 -3.121 -6.838 7.306 734 HA LYS 93 HA LYS 93 -3.285 -8.185 4.762 735 1HB LYS 93 1HB LYS 93 -2.054 -10.207 5.880 736 2HB LYS 93 2HB LYS 93 -1.142 -8.948 5.073 737 1HG LYS 93 1HG LYS 93 -0.194 -8.202 7.022 738 2HG LYS 93 2HG LYS 93 -1.694 -8.333 7.919 739 1HD LYS 93 1HD LYS 93 0.025 -9.921 8.773 740 2HD LYS 93 2HD LYS 93 -1.390 -10.765 8.175 741 1HE LYS 93 1HE LYS 93 -0.119 -10.964 5.914 742 2HE LYS 93 2HE LYS 93 1.308 -10.451 6.793 743 1HZ LYS 93 1HZ LYS 93 -0.101 -12.940 6.925 744 2HZ LYS 93 2HZ LYS 93 1.476 -12.619 7.201 745 3HZ LYS 93 3HZ LYS 93 0.373 -12.360 8.376 746 H ASP 94 H ASP 94 -3.606 -8.276 8.355 747 HA ASP 94 HA ASP 94 -6.310 -8.922 8.142 748 1HB ASP 94 1HB ASP 94 -5.874 -11.178 9.529 749 2HB ASP 94 2HB ASP 94 -5.976 -11.182 7.780 750 H LYS 95 H LYS 95 -5.416 -6.851 9.480 751 HA LYS 95 HA LYS 95 -4.486 -7.519 12.121 752 1HB LYS 95 1HB LYS 95 -3.631 -5.547 10.930 753 2HB LYS 95 2HB LYS 95 -5.244 -4.865 10.863 754 1HG LYS 95 1HG LYS 95 -4.969 -3.979 12.929 755 2HG LYS 95 2HG LYS 95 -4.762 -5.583 13.601 756 1HD LYS 95 1HD LYS 95 -2.301 -5.443 12.783 757 2HD LYS 95 2HD LYS 95 -2.599 -3.738 12.508 758 1HE LYS 95 1HE LYS 95 -3.607 -4.308 15.125 759 2HE LYS 95 2HE LYS 95 -2.053 -5.110 15.016 760 1HZ LYS 95 1HZ LYS 95 -1.603 -2.952 15.683 761 2HZ LYS 95 2HZ LYS 95 -1.233 -2.937 14.092 762 3HZ LYS 95 3HZ LYS 95 -2.631 -2.271 14.613 763 H ALA 96 H ALA 96 -6.796 -8.931 11.743 764 HA ALA 96 HA ALA 96 -9.041 -7.392 12.664 765 1HB ALA 96 1HB ALA 96 -8.739 -9.665 11.168 766 2HB ALA 96 2HB ALA 96 -9.127 -10.356 12.762 767 3HB ALA 96 3HB ALA 96 -10.245 -9.203 11.996 768 H ILE 97 H ILE 97 -6.368 -9.227 14.025 769 HA ILE 97 HA ILE 97 -7.323 -8.548 16.666 770 HB ILE 97 HB ILE 97 -7.073 -10.812 17.532 771 1HG1 ILE 97 1HG1 ILE 97 -7.266 -12.219 14.982 772 2HG1 ILE 97 2HG1 ILE 97 -5.757 -11.341 15.129 773 1HG2 ILE 97 1HG2 ILE 97 -9.075 -10.833 15.267 774 2HG2 ILE 97 2HG2 ILE 97 -9.187 -11.631 16.854 775 3HG2 ILE 97 3HG2 ILE 97 -9.280 -9.857 16.742 776 1HD1 ILE 97 1HD1 ILE 97 -5.336 -13.478 16.115 777 2HD1 ILE 97 2HD1 ILE 97 -5.548 -12.371 17.493 778 3HD1 ILE 97 3HD1 ILE 97 -6.875 -13.455 17.009 779 H ASP 98 H ASP 98 -5.151 -7.859 14.646 780 HA ASP 98 HA ASP 98 -3.081 -7.205 14.816 781 1HB ASP 98 1HB ASP 98 -3.651 -7.043 17.359 782 2HB ASP 98 2HB ASP 98 -2.799 -8.565 17.525 783 H ASN 99 H ASN 99 -4.160 -10.126 14.261 784 HA ASN 99 HA ASN 99 -3.410 -12.108 13.765 785 1HB ASN 99 1HB ASN 99 -2.224 -10.965 11.978 786 2HB ASN 99 2HB ASN 99 -0.975 -10.400 13.070 787 1HD2 ASN 99 1HD2 ASN 99 0.657 -11.296 11.853 788 2HD2 ASN 99 2HD2 ASN 99 0.990 -12.995 11.799 789 H ALA 100 H ALA 100 -3.456 -12.653 16.175 790 HA ALA 100 HA ALA 100 -0.775 -12.836 17.343 791 1HB ALA 100 1HB ALA 100 -1.825 -12.142 19.201 792 2HB ALA 100 2HB ALA 100 -3.382 -12.137 18.338 793 3HB ALA 100 3HB ALA 100 -2.831 -13.610 19.171 794 H MET 101 H MET 101 -3.821 -14.735 16.797 795 HA MET 101 HA MET 101 -3.101 -17.112 17.740 796 1HB MET 101 1HB MET 101 -4.501 -18.061 15.796 797 2HB MET 101 2HB MET 101 -5.274 -16.772 16.696 798 1HG MET 101 1HG MET 101 -4.485 -15.118 14.965 799 2HG MET 101 2HG MET 101 -3.772 -16.434 14.054 800 1HE MET 101 1HE MET 101 -6.548 -18.620 12.952 801 2HE MET 101 2HE MET 101 -5.533 -17.567 11.938 802 3HE MET 101 3HE MET 101 -4.831 -18.383 13.355
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