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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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4957 |
1g2t ![]() ![]() |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 HT1 THR 1 14.333 17.054 11.258 2 2H THR 1 HT2 THR 1 14.860 18.039 9.977 3 3H THR 1 HT3 THR 1 15.280 16.393 10.016 4 HA THR 1 HA THR 1 12.536 17.491 9.651 5 HB THR 1 HB THR 1 14.171 15.830 7.743 6 HG1 THR 1 HG1 THR 1 14.293 18.630 8.152 7 1HG2 THR 1 HG2 THR 1 12.209 16.089 6.649 8 2HG2 THR 1 HG2 THR 1 12.737 17.747 6.365 9 3HG2 THR 1 HG2 THR 1 11.682 17.379 7.729 10 H ARG 2 HN ARG 2 11.425 16.104 11.085 11 HA ARG 2 HA ARG 2 12.068 13.210 11.077 12 1HB ARG 2 HB2 ARG 2 10.545 15.164 12.733 13 2HB ARG 2 HB1 ARG 2 9.974 13.495 12.757 14 1HG ARG 2 HG2 ARG 2 11.625 12.978 14.192 15 2HG ARG 2 HG1 ARG 2 12.804 13.394 12.948 16 1HD ARG 2 HD2 ARG 2 13.463 15.057 14.359 17 2HD ARG 2 HD1 ARG 2 11.957 15.877 13.903 18 HE ARG 2 HE ARG 2 11.976 13.892 16.139 19 1HH1 ARG 2 HH2 ARG 2 12.594 17.085 16.006 20 2HH1 ARG 2 HH2 ARG 2 11.184 17.624 16.856 21 1HH2 ARG 2 HH1 ARG 2 9.602 14.540 16.725 22 2HH2 ARG 2 HH1 ARG 2 9.489 16.183 17.263 23 H GLY 3 HN GLY 3 11.293 13.433 8.631 24 1HA GLY 3 HA2 GLY 3 8.332 13.016 8.541 25 2HA GLY 3 HA1 GLY 3 9.283 13.609 7.178 26 H SER 4 HN SER 4 8.723 11.893 5.776 27 HA SER 4 HA SER 4 10.023 9.285 6.455 28 1HB SER 4 HB2 SER 4 7.276 9.819 6.436 29 2HB SER 4 HB1 SER 4 7.574 9.037 4.887 30 HG SER 4 HG SER 4 7.774 7.243 5.943 31 H ASP 5 HN ASP 5 11.085 8.354 4.689 32 HA ASP 5 HA ASP 5 10.477 9.077 1.933 33 1HB ASP 5 HB2 ASP 5 12.302 10.664 3.539 34 2HB ASP 5 HB1 ASP 5 13.140 9.960 2.155 35 H ILE 6 HN ILE 6 11.008 6.676 3.668 36 HA ILE 6 HA ILE 6 13.275 5.514 2.076 37 HB ILE 6 HB ILE 6 12.412 4.767 4.890 38 1HG1 ILE 6 HG1 ILE 6 13.203 7.110 4.841 39 2HG1 ILE 6 HG1 ILE 6 14.368 6.069 5.660 40 1HG2 ILE 6 HG2 ILE 6 14.882 4.180 3.232 41 2HG2 ILE 6 HG2 ILE 6 13.655 3.019 3.738 42 3HG2 ILE 6 HG2 ILE 6 14.708 3.767 4.937 43 1HD1 ILE 6 HD1 ILE 6 15.959 6.657 4.186 44 2HD1 ILE 6 HD1 ILE 6 14.810 7.736 3.394 45 3HD1 ILE 6 HD1 ILE 6 14.963 6.064 2.857 46 H SER 7 HN SER 7 10.554 5.469 1.211 47 HA SER 7 HA SER 7 9.469 2.818 1.932 48 1HB SER 7 HB2 SER 7 8.365 5.237 1.357 49 2HB SER 7 HB1 SER 7 8.280 4.469 -0.226 50 HG SER 7 HG SER 7 7.381 2.617 1.025 51 H LYS 8 HN LYS 8 11.994 2.703 0.586 52 HA LYS 8 HA LYS 8 11.553 2.234 -2.265 53 1HB LYS 8 HB2 LYS 8 13.762 2.117 -0.267 54 2HB LYS 8 HB1 LYS 8 13.961 1.144 -1.725 55 1HG LYS 8 HG2 LYS 8 14.886 3.206 -2.359 56 2HG LYS 8 HG1 LYS 8 13.238 3.316 -2.980 57 1HD LYS 8 HD2 LYS 8 12.618 4.428 -0.769 58 2HD LYS 8 HD1 LYS 8 14.349 4.550 -0.452 59 1HE LYS 8 HE2 LYS 8 14.683 6.128 -2.123 60 2HE LYS 8 HE1 LYS 8 13.320 5.535 -3.094 61 1HZ LYS 8 HZ1 LYS 8 12.978 7.685 -1.776 62 2HZ LYS 8 HZ2 LYS 8 12.901 6.685 -0.405 63 3HZ LYS 8 HZ3 LYS 8 11.776 6.494 -1.664 64 H THR 9 HN THR 9 10.017 0.564 -2.478 65 HA THR 9 HA THR 9 11.028 -2.153 -2.017 66 HB THR 9 HB THR 9 8.598 -1.064 -0.559 67 HG1 THR 9 HG1 THR 9 11.131 -1.980 0.325 68 1HG2 THR 9 HG2 THR 9 7.990 -3.191 -0.083 69 2HG2 THR 9 HG2 THR 9 9.660 -3.716 0.129 70 3HG2 THR 9 HG2 THR 9 8.965 -3.617 -1.489 71 H CYS 10 HN CYS 10 10.505 -3.044 -3.981 72 HA CYS 10 HA CYS 10 8.314 -2.086 -5.632 73 1HB CYS 10 HB2 CYS 10 10.004 -4.607 -5.771 74 2HB CYS 10 HB1 CYS 10 9.082 -3.906 -7.098 75 H CYS 11 HN CYS 11 7.296 -4.592 -6.578 76 HA CYS 11 HA CYS 11 6.023 -5.852 -4.203 77 1HB CYS 11 HB2 CYS 11 4.749 -4.132 -6.296 78 2HB CYS 11 HB1 CYS 11 3.823 -5.491 -5.661 79 H PHE 12 HN PHE 12 5.270 -7.976 -4.645 80 HA PHE 12 HA PHE 12 5.245 -9.012 -7.392 81 1HB PHE 12 HB2 PHE 12 7.539 -9.220 -5.561 82 2HB PHE 12 HB1 PHE 12 7.023 -10.772 -6.222 83 HD1 PHE 12 HD1 PHE 12 6.224 -10.435 -8.870 84 HD2 PHE 12 HD2 PHE 12 9.250 -8.222 -6.773 85 HE1 PHE 12 HE1 PHE 12 7.314 -9.879 -11.028 86 HE2 PHE 12 HE2 PHE 12 10.340 -7.667 -8.930 87 HZ PHE 12 HZ PHE 12 9.372 -8.495 -11.058 88 H GLN 13 HN GLN 13 3.426 -8.837 -5.033 89 HA GLN 13 HA GLN 13 2.392 -11.553 -5.108 90 1HB GLN 13 HB2 GLN 13 4.435 -11.538 -3.532 91 2HB GLN 13 HB1 GLN 13 3.436 -10.575 -2.442 92 1HG GLN 13 HG2 GLN 13 1.687 -12.392 -2.576 93 2HG GLN 13 HG1 GLN 13 2.860 -13.370 -3.459 94 1HE2 GLN 13 HE2 GLN 13 2.028 -14.426 -1.049 95 2HE2 GLN 13 HE2 GLN 13 3.241 -14.267 0.128 96 H TYR 14 HN TYR 14 0.459 -10.384 -5.681 97 HA TYR 14 HA TYR 14 -0.631 -8.374 -3.832 98 1HB TYR 14 HB2 TYR 14 -1.883 -9.702 -6.254 99 2HB TYR 14 HB1 TYR 14 -2.340 -8.158 -5.539 100 HD1 TYR 14 HD1 TYR 14 0.382 -7.006 -5.007 101 HD2 TYR 14 HD2 TYR 14 -1.181 -9.081 -8.429 102 HE1 TYR 14 HE1 TYR 14 2.032 -5.857 -6.459 103 HE2 TYR 14 HE2 TYR 14 0.469 -7.931 -9.880 104 HH TYR 14 HH TYR 14 1.807 -5.525 -9.590 105 H SER 15 HN SER 15 -2.178 -8.799 -2.277 106 HA SER 15 HA SER 15 -3.088 -11.616 -1.984 107 1HB SER 15 HB2 SER 15 -3.430 -9.375 0.000 108 2HB SER 15 HB1 SER 15 -3.265 -11.100 0.312 109 HG SER 15 HG SER 15 -1.200 -10.786 0.416 110 H HIS 16 HN HIS 16 -5.217 -12.117 -2.378 111 HA HIS 16 HA HIS 16 -7.087 -9.901 -3.036 112 1HB HIS 16 HB2 HIS 16 -6.543 -12.020 -4.442 113 2HB HIS 16 HB1 HIS 16 -7.577 -12.867 -3.292 114 HD1 HIS 16 HD1 HIS 16 -10.031 -12.788 -3.766 115 HD2 HIS 16 HD2 HIS 16 -7.988 -9.708 -5.694 116 HE1 HIS 16 HE1 HIS 16 -11.739 -11.579 -5.194 117 H LYS 17 HN LYS 17 -7.615 -9.215 -0.853 118 HA LYS 17 HA LYS 17 -9.848 -10.558 0.352 119 1HB LYS 17 HB2 LYS 17 -7.357 -11.711 0.897 120 2HB LYS 17 HB1 LYS 17 -7.710 -10.750 2.333 121 1HG LYS 17 HG2 LYS 17 -10.038 -12.237 1.345 122 2HG LYS 17 HG1 LYS 17 -8.701 -13.282 1.828 123 1HD LYS 17 HD2 LYS 17 -8.571 -12.034 3.993 124 2HD LYS 17 HD1 LYS 17 -10.004 -11.125 3.513 125 1HE LYS 17 HE2 LYS 17 -10.605 -13.883 3.116 126 2HE LYS 17 HE1 LYS 17 -9.895 -13.719 4.735 127 1HZ LYS 17 HZ1 LYS 17 -11.932 -11.837 3.692 128 2HZ LYS 17 HZ2 LYS 17 -11.409 -12.031 5.297 129 3HZ LYS 17 HZ3 LYS 17 -12.355 -13.233 4.557 130 HA PRO 18 HA PRO 18 -9.849 -6.390 1.939 131 1HB PRO 18 HB2 PRO 18 -12.109 -6.570 3.466 132 2HB PRO 18 HB1 PRO 18 -12.151 -6.426 1.697 133 1HG PRO 18 HG2 PRO 18 -12.479 -8.837 3.406 134 2HG PRO 18 HG1 PRO 18 -13.327 -8.383 1.920 135 1HD PRO 18 HD2 PRO 18 -11.308 -10.216 2.001 136 2HD PRO 18 HD1 PRO 18 -11.686 -9.234 0.569 137 H LEU 19 HN LEU 19 -8.254 -6.048 3.458 138 HA LEU 19 HA LEU 19 -7.863 -7.689 5.802 139 1HB LEU 19 HB2 LEU 19 -6.442 -5.866 4.330 140 2HB LEU 19 HB1 LEU 19 -6.833 -4.915 5.763 141 HG LEU 19 HG LEU 19 -5.970 -7.643 6.403 142 1HD1 LEU 19 HD1 LEU 19 -3.498 -6.771 5.953 143 2HD1 LEU 19 HD1 LEU 19 -4.298 -5.870 4.665 144 3HD1 LEU 19 HD1 LEU 19 -4.397 -7.631 4.703 145 1HD2 LEU 19 HD2 LEU 19 -5.005 -6.566 8.210 146 2HD2 LEU 19 HD2 LEU 19 -6.214 -5.360 7.773 147 3HD2 LEU 19 HD2 LEU 19 -4.541 -5.158 7.255 148 HA PRO 20 HA PRO 20 -10.813 -5.824 8.498 149 1HB PRO 20 HB2 PRO 20 -9.571 -6.231 10.913 150 2HB PRO 20 HB1 PRO 20 -10.392 -7.521 10.011 151 1HG PRO 20 HG2 PRO 20 -7.485 -6.874 10.161 152 2HG PRO 20 HG1 PRO 20 -8.291 -8.451 10.179 153 1HD PRO 20 HD2 PRO 20 -7.097 -7.461 7.967 154 2HD PRO 20 HD1 PRO 20 -8.535 -8.505 7.889 155 H TRP 21 HN TRP 21 -10.910 -3.616 8.330 156 HA TRP 21 HA TRP 21 -8.876 -1.727 8.347 157 1HB TRP 21 HB2 TRP 21 -11.742 -1.664 9.304 158 2HB TRP 21 HB1 TRP 21 -10.762 -0.199 9.173 159 HD1 TRP 21 HD1 TRP 21 -12.737 -2.633 7.137 160 HE1 TRP 21 HE1 TRP 21 -12.573 -2.025 4.636 161 HE3 TRP 21 HE3 TRP 21 -9.028 0.868 7.324 162 HZ2 TRP 21 HZ2 TRP 21 -11.057 -0.288 2.941 163 HZ3 TRP 21 HZ3 TRP 21 -8.245 1.981 5.253 164 HH2 TRP 21 HH2 TRP 21 -9.254 1.409 3.067 165 H THR 22 HN THR 22 -10.237 -3.388 11.126 166 HA THR 22 HA THR 22 -9.314 -1.596 13.172 167 HB THR 22 HB THR 22 -9.431 -3.818 14.500 168 HG1 THR 22 HG1 THR 22 -9.069 -5.165 12.707 169 1HG2 THR 22 HG2 THR 22 -11.322 -2.038 13.847 170 2HG2 THR 22 HG2 THR 22 -11.700 -3.513 14.736 171 3HG2 THR 22 HG2 THR 22 -11.976 -3.438 12.996 172 H TRP 23 HN TRP 23 -7.790 -4.166 11.313 173 HA TRP 23 HA TRP 23 -5.253 -3.845 12.840 174 1HB TRP 23 HB2 TRP 23 -6.720 -6.007 11.726 175 2HB TRP 23 HB1 TRP 23 -5.228 -5.873 10.796 176 HD1 TRP 23 HD1 TRP 23 -5.699 -5.129 14.548 177 HE1 TRP 23 HE1 TRP 23 -4.098 -6.649 15.879 178 HE3 TRP 23 HE3 TRP 23 -3.776 -7.930 10.738 179 HZ2 TRP 23 HZ2 TRP 23 -2.244 -8.774 15.390 180 HZ3 TRP 23 HZ3 TRP 23 -2.095 -9.693 11.197 181 HH2 TRP 23 HH2 TRP 23 -1.327 -10.118 13.515 182 H VAL 24 HN VAL 24 -6.624 -2.285 10.344 183 HA VAL 24 HA VAL 24 -4.344 -2.444 8.471 184 HB VAL 24 HB VAL 24 -6.978 -0.947 8.471 185 1HG1 VAL 24 HG1 VAL 24 -6.169 -0.897 5.899 186 2HG1 VAL 24 HG1 VAL 24 -4.593 -0.850 6.688 187 3HG1 VAL 24 HG1 VAL 24 -5.790 0.397 7.034 188 1HG2 VAL 24 HG2 VAL 24 -7.766 -2.639 7.048 189 2HG2 VAL 24 HG2 VAL 24 -6.769 -3.549 8.182 190 3HG2 VAL 24 HG2 VAL 24 -6.140 -3.141 6.586 191 H ARG 25 HN ARG 25 -3.100 -0.496 7.945 192 HA ARG 25 HA ARG 25 -3.244 1.629 10.058 193 1HB ARG 25 HB2 ARG 25 -1.435 0.015 10.467 194 2HB ARG 25 HB1 ARG 25 -0.819 0.275 8.836 195 1HG ARG 25 HG2 ARG 25 0.058 2.339 9.347 196 2HG ARG 25 HG1 ARG 25 -1.191 2.689 10.543 197 1HD ARG 25 HD2 ARG 25 0.042 0.588 11.757 198 2HD ARG 25 HD1 ARG 25 1.414 1.311 10.894 199 HE ARG 25 HE ARG 25 -0.315 2.757 12.855 200 1HH1 ARG 25 HH2 ARG 25 1.936 3.173 10.360 201 2HH1 ARG 25 HH2 ARG 25 2.968 4.244 11.249 202 1HH2 ARG 25 HH1 ARG 25 1.246 3.851 14.234 203 2HH2 ARG 25 HH1 ARG 25 2.576 4.628 13.443 204 H SER 26 HN SER 26 -1.727 0.906 6.872 205 HA SER 26 HA SER 26 -2.813 3.374 5.723 206 1HB SER 26 HB2 SER 26 -0.612 4.470 5.499 207 2HB SER 26 HB1 SER 26 -0.986 4.177 7.195 208 HG SER 26 HG SER 26 1.180 3.512 6.186 209 H TYR 27 HN TYR 27 -0.804 3.700 3.728 210 HA TYR 27 HA TYR 27 -0.322 1.082 2.475 211 1HB TYR 27 HB2 TYR 27 -1.882 1.364 0.693 212 2HB TYR 27 HB1 TYR 27 -2.776 1.840 2.128 213 HD1 TYR 27 HD1 TYR 27 -1.604 2.843 -1.105 214 HD2 TYR 27 HD2 TYR 27 -2.853 4.353 2.715 215 HE1 TYR 27 HE1 TYR 27 -2.003 5.068 -2.118 216 HE2 TYR 27 HE2 TYR 27 -3.256 6.579 1.703 217 HH TYR 27 HH TYR 27 -2.421 7.862 -0.303 218 H GLU 28 HN GLU 28 0.393 1.751 -0.019 219 HA GLU 28 HA GLU 28 1.654 4.323 -0.349 220 1HB GLU 28 HB2 GLU 28 3.979 3.626 0.053 221 2HB GLU 28 HB1 GLU 28 3.014 3.391 1.509 222 1HG GLU 28 HG2 GLU 28 2.734 1.004 0.938 223 2HG GLU 28 HG1 GLU 28 3.713 1.242 -0.510 224 H PHE 29 HN PHE 29 2.489 4.534 -2.455 225 HA PHE 29 HA PHE 29 1.869 2.320 -4.307 226 1HB PHE 29 HB2 PHE 29 2.263 5.238 -4.341 227 2HB PHE 29 HB1 PHE 29 2.934 4.422 -5.753 228 HD1 PHE 29 HD1 PHE 29 1.528 3.648 -7.485 229 HD2 PHE 29 HD2 PHE 29 -0.164 4.718 -3.685 230 HE1 PHE 29 HE1 PHE 29 -0.752 3.407 -8.432 231 HE2 PHE 29 HE2 PHE 29 -2.443 4.477 -4.631 232 HZ PHE 29 HZ PHE 29 -2.737 3.821 -7.005 233 H THR 30 HN THR 30 3.500 1.552 -5.865 234 HA THR 30 HA THR 30 6.066 0.982 -4.682 235 HB THR 30 HB THR 30 6.387 0.363 -7.285 236 HG1 THR 30 HG1 THR 30 4.408 1.513 -7.761 237 1HG2 THR 30 HG2 THR 30 5.978 -1.751 -6.569 238 2HG2 THR 30 HG2 THR 30 4.348 -1.351 -6.027 239 3HG2 THR 30 HG2 THR 30 5.732 -0.994 -4.995 240 H SER 31 HN SER 31 8.167 1.724 -5.473 241 HA SER 31 HA SER 31 8.209 4.577 -6.113 242 1HB SER 31 HB2 SER 31 9.783 2.849 -4.713 243 2HB SER 31 HB1 SER 31 10.677 2.936 -6.228 244 HG SER 31 HG SER 31 10.669 5.206 -6.009 245 H ASN 32 HN ASN 32 9.501 5.408 -7.983 246 HA ASN 32 HA ASN 32 8.724 4.144 -10.474 247 1HB ASN 32 HB2 ASN 32 10.021 6.052 -11.419 248 2HB ASN 32 HB1 ASN 32 8.907 6.572 -10.153 249 1HD2 ASN 32 HD2 ASN 32 12.354 5.729 -10.708 250 2HD2 ASN 32 HD2 ASN 32 12.949 6.671 -9.428 251 H SER 33 HN SER 33 11.501 3.882 -8.406 252 HA SER 33 HA SER 33 13.260 2.840 -10.532 253 1HB SER 33 HB2 SER 33 14.821 2.641 -8.555 254 2HB SER 33 HB1 SER 33 14.187 4.266 -8.801 255 HG SER 33 HG SER 33 13.534 2.344 -6.855 256 H CYS 34 HN CYS 34 10.831 1.322 -10.079 257 HA CYS 34 HA CYS 34 11.927 -1.168 -8.818 258 1HB CYS 34 HB2 CYS 34 9.328 0.266 -8.773 259 2HB CYS 34 HB1 CYS 34 9.226 -1.492 -8.870 260 H SER 35 HN SER 35 11.765 -3.084 -10.030 261 HA SER 35 HA SER 35 11.664 -2.932 -12.882 262 1HB SER 35 HB2 SER 35 11.562 -5.445 -12.630 263 2HB SER 35 HB1 SER 35 12.834 -4.684 -11.678 264 HG SER 35 HG SER 35 10.398 -5.816 -10.870 265 H GLN 36 HN GLN 36 9.174 -3.390 -10.461 266 HA GLN 36 HA GLN 36 7.146 -3.683 -12.654 267 1HB GLN 36 HB2 GLN 36 5.914 -5.135 -11.111 268 2HB GLN 36 HB1 GLN 36 7.563 -5.735 -11.278 269 1HG GLN 36 HG2 GLN 36 7.530 -5.729 -8.998 270 2HG GLN 36 HG1 GLN 36 7.863 -4.007 -9.189 271 1HE2 GLN 36 HE2 GLN 36 4.993 -6.206 -9.187 272 2HE2 GLN 36 HE2 GLN 36 3.996 -5.135 -8.328 273 H ARG 37 HN ARG 37 4.846 -3.220 -11.313 274 HA ARG 37 HA ARG 37 5.183 -0.786 -9.647 275 1HB ARG 37 HB2 ARG 37 3.619 0.421 -11.181 276 2HB ARG 37 HB1 ARG 37 5.129 -0.028 -11.973 277 1HG ARG 37 HG2 ARG 37 3.975 -2.102 -12.825 278 2HG ARG 37 HG1 ARG 37 2.463 -1.450 -12.190 279 1HD ARG 37 HD2 ARG 37 3.290 0.708 -13.586 280 2HD ARG 37 HD1 ARG 37 4.049 -0.571 -14.554 281 HE ARG 37 HE ARG 37 1.804 -1.621 -14.763 282 1HH1 ARG 37 HH2 ARG 37 1.796 1.325 -15.773 283 2HH1 ARG 37 HH2 ARG 37 0.258 1.845 -15.168 284 1HH2 ARG 37 HH1 ARG 37 -0.102 -0.845 -13.011 285 2HH2 ARG 37 HH1 ARG 37 -0.816 0.616 -13.606 286 H ALA 38 HN ALA 38 3.680 -0.819 -8.001 287 HA ALA 38 HA ALA 38 0.977 -1.858 -8.387 288 1HB ALA 38 HB1 ALA 38 1.644 -4.012 -8.059 289 2HB ALA 38 HB2 ALA 38 1.781 -3.547 -6.363 290 3HB ALA 38 HB3 ALA 38 3.204 -3.515 -7.403 291 H VAL 39 HN VAL 39 -0.171 -1.933 -6.154 292 HA VAL 39 HA VAL 39 0.724 0.424 -4.560 293 HB VAL 39 HB VAL 39 -1.876 -1.151 -4.583 294 1HG1 VAL 39 HG1 VAL 39 -0.921 1.334 -3.201 295 2HG1 VAL 39 HG1 VAL 39 -1.935 0.031 -2.581 296 3HG1 VAL 39 HG1 VAL 39 -2.613 1.226 -3.686 297 1HG2 VAL 39 HG2 VAL 39 -2.350 -0.094 -6.514 298 2HG2 VAL 39 HG2 VAL 39 -0.770 0.689 -6.490 299 3HG2 VAL 39 HG2 VAL 39 -2.146 1.456 -5.699 300 H ILE 40 HN ILE 40 0.281 0.158 -2.099 301 HA ILE 40 HA ILE 40 0.726 -2.644 -1.174 302 HB ILE 40 HB ILE 40 2.463 -0.201 -0.804 303 1HG1 ILE 40 HG1 ILE 40 3.336 -3.027 -1.344 304 2HG1 ILE 40 HG1 ILE 40 2.740 -2.013 -2.657 305 1HG2 ILE 40 HG2 ILE 40 3.740 -1.504 0.891 306 2HG2 ILE 40 HG2 ILE 40 2.472 -2.730 0.866 307 3HG2 ILE 40 HG2 ILE 40 2.113 -1.101 1.440 308 1HD1 ILE 40 HD1 ILE 40 5.344 -2.036 -1.586 309 2HD1 ILE 40 HD1 ILE 40 4.611 -0.534 -1.023 310 3HD1 ILE 40 HD1 ILE 40 4.684 -0.886 -2.750 311 H PHE 41 HN PHE 41 -0.364 -3.057 0.730 312 HA PHE 41 HA PHE 41 -1.654 -0.736 2.126 313 1HB PHE 41 HB2 PHE 41 -2.407 -3.633 1.658 314 2HB PHE 41 HB1 PHE 41 -3.204 -2.667 2.900 315 HD1 PHE 41 HD1 PHE 41 -3.452 -0.029 1.736 316 HD2 PHE 41 HD2 PHE 41 -3.879 -3.868 -0.145 317 HE1 PHE 41 HE1 PHE 41 -4.924 0.978 0.012 318 HE2 PHE 41 HE2 PHE 41 -5.350 -2.860 -1.868 319 HZ PHE 41 HZ PHE 41 -5.873 -0.439 -1.789 320 H THR 42 HN THR 42 -1.443 -0.716 4.454 321 HA THR 42 HA THR 42 0.520 -2.710 5.513 322 HB THR 42 HB THR 42 0.368 0.005 6.699 323 HG1 THR 42 HG1 THR 42 0.731 1.011 4.913 324 1HG2 THR 42 HG2 THR 42 2.915 -0.343 6.343 325 2HG2 THR 42 HG2 THR 42 2.474 -1.999 5.926 326 3HG2 THR 42 HG2 THR 42 2.093 -1.360 7.526 327 H THR 43 HN THR 43 0.126 -3.517 7.593 328 HA THR 43 HA THR 43 -2.595 -3.058 8.671 329 HB THR 43 HB THR 43 -2.034 -5.083 9.989 330 HG1 THR 43 HG1 THR 43 -0.042 -5.921 9.909 331 1HG2 THR 43 HG2 THR 43 -1.054 -5.799 7.282 332 2HG2 THR 43 HG2 THR 43 -2.598 -4.948 7.348 333 3HG2 THR 43 HG2 THR 43 -2.393 -6.473 8.211 334 H LYS 44 HN LYS 44 -2.497 -3.342 11.274 335 HA LYS 44 HA LYS 44 -1.136 -0.943 12.251 336 1HB LYS 44 HB2 LYS 44 -3.411 -2.482 12.848 337 2HB LYS 44 HB1 LYS 44 -2.364 -2.632 14.261 338 1HG LYS 44 HG2 LYS 44 -2.614 -0.446 14.832 339 2HG LYS 44 HG1 LYS 44 -2.529 0.097 13.156 340 1HD LYS 44 HD2 LYS 44 -4.866 -0.789 12.830 341 2HD LYS 44 HD1 LYS 44 -4.933 -1.088 14.568 342 1HE LYS 44 HE2 LYS 44 -5.377 1.094 14.987 343 2HE LYS 44 HE1 LYS 44 -3.996 1.616 14.000 344 1HZ LYS 44 HZ1 LYS 44 -5.858 2.368 12.826 345 2HZ LYS 44 HZ2 LYS 44 -6.739 0.945 13.113 346 3HZ LYS 44 HZ3 LYS 44 -5.429 0.934 12.030 347 H ARG 45 HN ARG 45 -0.347 -4.289 12.069 348 HA ARG 45 HA ARG 45 1.441 -4.221 14.430 349 1HB ARG 45 HB2 ARG 45 0.089 -6.161 12.738 350 2HB ARG 45 HB1 ARG 45 1.789 -6.583 12.951 351 1HG ARG 45 HG2 ARG 45 0.830 -5.725 15.484 352 2HG ARG 45 HG1 ARG 45 -0.366 -6.847 14.833 353 1HD ARG 45 HD2 ARG 45 1.874 -8.214 14.200 354 2HD ARG 45 HD1 ARG 45 2.453 -7.359 15.644 355 HE ARG 45 HE ARG 45 0.150 -9.241 15.568 356 1HH1 ARG 45 HH1 ARG 45 0.279 -6.602 17.350 357 2HH1 ARG 45 HH1 ARG 45 0.657 -7.333 18.874 358 1HH2 ARG 45 HH2 ARG 45 1.481 -10.406 17.491 359 2HH2 ARG 45 HH2 ARG 45 1.339 -9.488 18.954 360 H GLY 46 HN GLY 46 1.612 -3.587 11.044 361 1HA GLY 46 HA2 GLY 46 3.702 -2.494 10.255 362 2HA GLY 46 HA1 GLY 46 4.595 -3.675 11.212 363 H LYS 47 HN LYS 47 1.983 -5.249 9.815 364 HA LYS 47 HA LYS 47 3.720 -6.649 7.927 365 1HB LYS 47 HB2 LYS 47 1.846 -7.572 9.428 366 2HB LYS 47 HB1 LYS 47 0.721 -6.873 8.263 367 1HG LYS 47 HG2 LYS 47 2.006 -8.148 6.461 368 2HG LYS 47 HG1 LYS 47 2.796 -9.019 7.777 369 1HD LYS 47 HD2 LYS 47 0.075 -9.088 8.428 370 2HD LYS 47 HD1 LYS 47 0.122 -9.373 6.688 371 1HE LYS 47 HE2 LYS 47 1.735 -11.200 6.998 372 2HE LYS 47 HE1 LYS 47 1.764 -10.895 8.746 373 1HZ LYS 47 HZ1 LYS 47 -0.483 -11.457 8.955 374 2HZ LYS 47 HZ2 LYS 47 0.140 -12.651 7.919 375 3HZ LYS 47 HZ3 LYS 47 -0.767 -11.362 7.285 376 H LYS 48 HN LYS 48 4.230 -5.190 6.231 377 HA LYS 48 HA LYS 48 2.082 -3.687 4.879 378 1HB LYS 48 HB2 LYS 48 4.394 -2.820 5.335 379 2HB LYS 48 HB1 LYS 48 5.022 -4.031 4.216 380 1HG LYS 48 HG2 LYS 48 4.407 -2.826 2.406 381 2HG LYS 48 HG1 LYS 48 2.808 -2.499 3.075 382 1HD LYS 48 HD2 LYS 48 3.826 -0.366 2.945 383 2HD LYS 48 HD1 LYS 48 4.008 -0.830 4.637 384 1HE LYS 48 HE2 LYS 48 6.243 -1.879 3.161 385 2HE LYS 48 HE1 LYS 48 6.081 -0.145 2.816 386 1HZ LYS 48 HZ1 LYS 48 6.071 0.375 5.089 387 2HZ LYS 48 HZ2 LYS 48 7.327 -0.757 4.921 388 3HZ LYS 48 HZ3 LYS 48 5.826 -1.237 5.557 389 H VAL 49 HN VAL 49 0.905 -4.611 3.258 390 HA VAL 49 HA VAL 49 2.094 -6.950 1.801 391 HB VAL 49 HB VAL 49 -0.790 -6.094 2.207 392 1HG1 VAL 49 HG1 VAL 49 0.466 -8.603 1.056 393 2HG1 VAL 49 HG1 VAL 49 -0.518 -7.425 0.188 394 3HG1 VAL 49 HG1 VAL 49 -1.248 -8.434 1.436 395 1HG2 VAL 49 HG2 VAL 49 -0.063 -6.765 4.339 396 2HG2 VAL 49 HG2 VAL 49 1.052 -7.965 3.685 397 3HG2 VAL 49 HG2 VAL 49 -0.685 -8.269 3.659 398 H CYS 50 HN CYS 50 1.868 -7.013 -0.508 399 HA CYS 50 HA CYS 50 1.701 -4.348 -1.792 400 1HB CYS 50 HB2 CYS 50 2.690 -7.101 -2.448 401 2HB CYS 50 HB1 CYS 50 2.316 -6.014 -3.783 402 H THR 51 HN THR 51 0.365 -4.096 -3.770 403 HA THR 51 HA THR 51 -1.794 -6.028 -4.283 404 HB THR 51 HB THR 51 -3.452 -4.045 -3.780 405 HG1 THR 51 HG1 THR 51 -2.691 -2.521 -2.503 406 1HG2 THR 51 HG2 THR 51 -2.290 -5.197 -1.281 407 2HG2 THR 51 HG2 THR 51 -2.911 -6.315 -2.496 408 3HG2 THR 51 HG2 THR 51 -3.974 -5.096 -1.793 409 H HIS 52 HN HIS 52 -3.335 -4.994 -6.003 410 HA HIS 52 HA HIS 52 -1.658 -3.423 -7.900 411 1HB HIS 52 HB2 HIS 52 -2.835 -5.826 -8.199 412 2HB HIS 52 HB1 HIS 52 -4.170 -4.798 -8.719 413 HD1 HIS 52 HD1 HIS 52 -0.475 -4.136 -9.293 414 HD2 HIS 52 HD2 HIS 52 -3.902 -5.040 -11.488 415 HE1 HIS 52 HE1 HIS 52 0.161 -3.924 -11.736 416 HA PRO 53 HA PRO 53 -4.501 -0.068 -7.319 417 1HB PRO 53 HB2 PRO 53 -3.826 1.424 -9.509 418 2HB PRO 53 HB1 PRO 53 -2.809 1.325 -8.058 419 1HG PRO 53 HG2 PRO 53 -2.515 -0.054 -10.673 420 2HG PRO 53 HG1 PRO 53 -1.274 0.592 -9.588 421 1HD PRO 53 HD2 PRO 53 -1.918 -2.067 -9.782 422 2HD PRO 53 HD1 PRO 53 -1.188 -1.317 -8.346 423 H ARG 54 HN ARG 54 -4.473 -2.135 -10.098 424 HA ARG 54 HA ARG 54 -6.670 -0.957 -11.556 425 1HB ARG 54 HB2 ARG 54 -5.022 -3.411 -11.528 426 2HB ARG 54 HB1 ARG 54 -6.634 -3.615 -12.214 427 1HG ARG 54 HG2 ARG 54 -5.730 -2.796 -14.125 428 2HG ARG 54 HG1 ARG 54 -5.818 -1.225 -13.326 429 1HD ARG 54 HD2 ARG 54 -3.538 -1.345 -12.613 430 2HD ARG 54 HD1 ARG 54 -3.432 -3.070 -13.013 431 HE ARG 54 HE ARG 54 -3.921 -1.004 -15.126 432 1HH1 ARG 54 HH1 ARG 54 -3.937 -4.050 -15.586 433 2HH1 ARG 54 HH1 ARG 54 -2.361 -4.277 -16.266 434 1HH2 ARG 54 HH2 ARG 54 -1.187 -1.174 -15.263 435 2HH2 ARG 54 HH2 ARG 54 -0.806 -2.651 -16.084 436 H LYS 55 HN LYS 55 -6.499 -3.723 -9.273 437 HA LYS 55 HA LYS 55 -9.195 -4.504 -9.284 438 1HB LYS 55 HB2 LYS 55 -6.855 -4.648 -7.517 439 2HB LYS 55 HB1 LYS 55 -8.386 -4.732 -6.644 440 1HG LYS 55 HG2 LYS 55 -8.331 -6.937 -7.193 441 2HG LYS 55 HG1 LYS 55 -8.889 -6.382 -8.771 442 1HD LYS 55 HD2 LYS 55 -5.951 -6.528 -8.081 443 2HD LYS 55 HD1 LYS 55 -6.821 -7.906 -8.757 444 1HE LYS 55 HE2 LYS 55 -7.556 -5.718 -10.374 445 2HE LYS 55 HE1 LYS 55 -5.805 -5.564 -10.132 446 1HZ LYS 55 HZ1 LYS 55 -6.218 -7.073 -11.947 447 2HZ LYS 55 HZ2 LYS 55 -7.263 -8.009 -10.989 448 3HZ LYS 55 HZ3 LYS 55 -5.603 -7.950 -10.632 449 H LYS 56 HN LYS 56 -10.986 -3.275 -8.935 450 HA LYS 56 HA LYS 56 -11.118 -0.640 -8.006 451 1HB LYS 56 HB2 LYS 56 -12.844 -2.286 -9.086 452 2HB LYS 56 HB1 LYS 56 -13.270 -2.662 -7.416 453 1HG LYS 56 HG2 LYS 56 -14.269 -0.646 -7.084 454 2HG LYS 56 HG1 LYS 56 -13.039 0.222 -8.004 455 1HD LYS 56 HD2 LYS 56 -14.052 -0.421 -10.100 456 2HD LYS 56 HD1 LYS 56 -15.175 -1.507 -9.280 457 1HE LYS 56 HE2 LYS 56 -16.347 0.328 -8.259 458 2HE LYS 56 HE1 LYS 56 -15.095 1.483 -8.759 459 1HZ LYS 56 HZ1 LYS 56 -17.158 1.271 -10.235 460 2HZ LYS 56 HZ2 LYS 56 -16.495 -0.212 -10.734 461 3HZ LYS 56 HZ3 LYS 56 -15.642 1.235 -10.993 462 H TRP 57 HN TRP 57 -11.539 -3.632 -6.073 463 HA TRP 57 HA TRP 57 -12.143 -2.455 -3.591 464 1HB TRP 57 HB2 TRP 57 -11.852 -4.618 -2.829 465 2HB TRP 57 HB1 TRP 57 -11.849 -4.951 -4.555 466 HD1 TRP 57 HD1 TRP 57 -9.792 -6.155 -5.480 467 HE1 TRP 57 HE1 TRP 57 -7.440 -6.719 -4.583 468 HE3 TRP 57 HE3 TRP 57 -9.885 -3.572 -1.075 469 HZ2 TRP 57 HZ2 TRP 57 -5.816 -6.143 -2.299 470 HZ3 TRP 57 HZ3 TRP 57 -7.924 -3.600 0.439 471 HH2 TRP 57 HH2 TRP 57 -5.892 -4.882 -0.166 472 H VAL 58 HN VAL 58 -9.000 -2.833 -5.181 473 HA VAL 58 HA VAL 58 -7.375 -2.042 -2.929 474 HB VAL 58 HB VAL 58 -6.917 -1.831 -5.921 475 1HG1 VAL 58 HG1 VAL 58 -4.984 -0.850 -5.284 476 2HG1 VAL 58 HG1 VAL 58 -4.521 -2.419 -4.623 477 3HG1 VAL 58 HG1 VAL 58 -5.281 -1.214 -3.584 478 1HG2 VAL 58 HG2 VAL 58 -6.097 -4.056 -4.036 479 2HG2 VAL 58 HG2 VAL 58 -6.004 -4.052 -5.797 480 3HG2 VAL 58 HG2 VAL 58 -7.573 -4.112 -4.997 481 H GLN 59 HN GLN 59 -8.562 -0.234 -5.792 482 HA GLN 59 HA GLN 59 -7.519 2.313 -5.095 483 1HB GLN 59 HB2 GLN 59 -10.064 1.478 -6.532 484 2HB GLN 59 HB1 GLN 59 -9.377 3.102 -6.586 485 1HG GLN 59 HG2 GLN 59 -7.186 1.715 -7.280 486 2HG GLN 59 HG1 GLN 59 -8.412 0.593 -7.871 487 1HE2 GLN 59 HE2 GLN 59 -10.415 2.313 -8.781 488 2HE2 GLN 59 HE2 GLN 59 -9.815 3.290 -10.033 489 H LYS 60 HN LYS 60 -10.247 0.482 -3.899 490 HA LYS 60 HA LYS 60 -11.578 2.692 -2.579 491 1HB LYS 60 HB2 LYS 60 -12.140 0.082 -3.275 492 2HB LYS 60 HB1 LYS 60 -11.947 -0.032 -1.525 493 1HG LYS 60 HG2 LYS 60 -13.707 1.443 -1.099 494 2HG LYS 60 HG1 LYS 60 -13.600 2.187 -2.694 495 1HD LYS 60 HD2 LYS 60 -14.333 -0.719 -2.430 496 2HD LYS 60 HD1 LYS 60 -15.561 0.529 -2.215 497 1HE LYS 60 HE2 LYS 60 -13.838 0.902 -4.595 498 2HE LYS 60 HE1 LYS 60 -14.903 -0.518 -4.651 499 1HZ LYS 60 HZ1 LYS 60 -16.782 0.801 -4.189 500 2HZ LYS 60 HZ2 LYS 60 -15.932 1.649 -5.391 501 3HZ LYS 60 HZ3 LYS 60 -15.845 2.151 -3.770 502 H TYR 61 HN TYR 61 -9.155 0.256 -1.643 503 HA TYR 61 HA TYR 61 -9.190 1.046 1.171 504 1HB TYR 61 HB2 TYR 61 -7.695 -0.814 -0.626 505 2HB TYR 61 HB1 TYR 61 -6.929 -0.369 0.900 506 HD1 TYR 61 HD1 TYR 61 -10.409 -1.188 -0.262 507 HD2 TYR 61 HD2 TYR 61 -7.318 -1.859 2.646 508 HE1 TYR 61 HE1 TYR 61 -11.890 -2.767 0.948 509 HE2 TYR 61 HE2 TYR 61 -8.800 -3.439 3.855 510 HH TYR 61 HH TYR 61 -10.796 -4.914 3.254 511 H ILE 62 HN ILE 62 -7.346 1.899 -1.709 512 HA ILE 62 HA ILE 62 -5.173 3.254 -0.407 513 HB ILE 62 HB ILE 62 -6.518 3.730 -3.092 514 1HG1 ILE 62 HG1 ILE 62 -4.013 2.128 -2.640 515 2HG1 ILE 62 HG1 ILE 62 -5.587 1.372 -2.398 516 1HG2 ILE 62 HG2 ILE 62 -3.648 4.151 -2.955 517 2HG2 ILE 62 HG2 ILE 62 -4.490 5.185 -1.801 518 3HG2 ILE 62 HG2 ILE 62 -4.908 5.252 -3.513 519 1HD1 ILE 62 HD1 ILE 62 -5.844 1.133 -4.619 520 2HD1 ILE 62 HD1 ILE 62 -4.236 1.817 -4.859 521 3HD1 ILE 62 HD1 ILE 62 -5.649 2.871 -4.845 522 H SER 63 HN SER 63 -8.258 4.480 -1.762 523 HA SER 63 HA SER 63 -7.869 7.198 -0.875 524 1HB SER 63 HB2 SER 63 -9.400 6.596 -2.672 525 2HB SER 63 HB1 SER 63 -10.307 5.537 -1.597 526 HG SER 63 HG SER 63 -10.719 8.083 -2.051 527 H LEU 64 HN LEU 64 -9.601 4.394 0.495 528 HA LEU 64 HA LEU 64 -10.700 5.693 2.785 529 1HB LEU 64 HB2 LEU 64 -9.923 2.910 1.974 530 2HB LEU 64 HB1 LEU 64 -10.371 3.202 3.655 531 HG LEU 64 HG LEU 64 -12.080 4.052 1.306 532 1HD1 LEU 64 HD1 LEU 64 -13.432 2.093 1.700 533 2HD1 LEU 64 HD1 LEU 64 -12.471 1.650 3.110 534 3HD1 LEU 64 HD1 LEU 64 -11.767 1.548 1.496 535 1HD2 LEU 64 HD2 LEU 64 -13.446 4.967 2.863 536 2HD2 LEU 64 HD2 LEU 64 -12.097 4.805 3.988 537 3HD2 LEU 64 HD2 LEU 64 -13.330 3.546 3.902 538 H LEU 65 HN LEU 65 -7.589 3.991 2.312 539 HA LEU 65 HA LEU 65 -6.644 4.536 5.009 540 1HB LEU 65 HB2 LEU 65 -5.522 3.486 2.421 541 2HB LEU 65 HB1 LEU 65 -4.425 3.877 3.744 542 HG LEU 65 HG LEU 65 -6.791 1.987 3.931 543 1HD1 LEU 65 HD1 LEU 65 -4.908 0.306 4.310 544 2HD1 LEU 65 HD1 LEU 65 -3.803 1.547 3.726 545 3HD1 LEU 65 HD1 LEU 65 -5.058 0.914 2.662 546 1HD2 LEU 65 HD2 LEU 65 -4.854 1.753 6.039 547 2HD2 LEU 65 HD2 LEU 65 -6.562 2.172 6.166 548 3HD2 LEU 65 HD2 LEU 65 -5.358 3.436 5.921 549 H LYS 66 HN LYS 66 -7.442 6.996 4.333 550 HA LYS 66 HA LYS 66 -6.706 9.229 4.162 551 1HB LYS 66 HB2 LYS 66 -4.651 7.670 5.297 552 2HB LYS 66 HB1 LYS 66 -3.858 8.676 4.084 553 1HG LYS 66 HG2 LYS 66 -5.148 10.647 5.075 554 2HG LYS 66 HG1 LYS 66 -5.557 9.577 6.417 555 1HD LYS 66 HD2 LYS 66 -2.723 10.137 5.501 556 2HD LYS 66 HD1 LYS 66 -3.512 10.971 6.841 557 1HE LYS 66 HE2 LYS 66 -3.965 8.261 7.376 558 2HE LYS 66 HE1 LYS 66 -2.284 8.328 6.808 559 1HZ LYS 66 HZ1 LYS 66 -3.538 9.888 8.993 560 2HZ LYS 66 HZ2 LYS 66 -2.072 10.359 8.274 561 3HZ LYS 66 HZ3 LYS 66 -2.185 8.868 9.080 562 H THR 67 HN THR 67 -6.302 10.603 2.426 563 HA THR 67 HA THR 67 -5.844 9.380 -0.190 564 HB THR 67 HB THR 67 -6.184 12.249 0.744 565 HG1 THR 67 HG1 THR 67 -8.155 11.619 0.980 566 1HG2 THR 67 HG2 THR 67 -5.122 11.782 -1.570 567 2HG2 THR 67 HG2 THR 67 -6.518 12.859 -1.509 568 3HG2 THR 67 HG2 THR 67 -6.718 11.184 -2.024 569 HA PRO 68 HA PRO 68 -1.488 10.162 -0.244 570 1HB PRO 68 HB2 PRO 68 -1.056 9.988 -2.937 571 2HB PRO 68 HB1 PRO 68 -1.360 8.568 -1.917 572 1HG PRO 68 HG2 PRO 68 -3.193 10.003 -3.757 573 2HG PRO 68 HG1 PRO 68 -3.086 8.277 -3.385 574 1HD PRO 68 HD2 PRO 68 -4.983 9.986 -2.355 575 2HD PRO 68 HD1 PRO 68 -4.494 8.451 -1.607 576 H LYS 69 HN LYS 69 -2.583 12.528 0.263 577 HA LYS 69 HA LYS 69 -2.371 14.446 -1.933 578 1HB LYS 69 HB2 LYS 69 -3.770 14.330 0.356 579 2HB LYS 69 HB1 LYS 69 -2.383 15.249 0.942 580 1HG LYS 69 HG2 LYS 69 -2.973 17.104 -0.222 581 2HG LYS 69 HG1 LYS 69 -3.398 16.173 -1.659 582 1HD LYS 69 HD2 LYS 69 -5.422 17.195 -0.817 583 2HD LYS 69 HD1 LYS 69 -5.511 15.466 -0.481 584 1HE LYS 69 HE2 LYS 69 -4.178 16.796 1.710 585 2HE LYS 69 HE1 LYS 69 -5.747 17.565 1.400 586 1HZ LYS 69 HZ1 LYS 69 -5.182 14.699 1.891 587 2HZ LYS 69 HZ2 LYS 69 -6.631 15.220 1.173 588 3HZ LYS 69 HZ3 LYS 69 -6.231 15.720 2.747 589 H GLN 70 HN GLN 70 0.010 13.550 -2.266 590 HA GLN 70 HA GLN 70 1.931 14.932 -0.441 591 1HB GLN 70 HB2 GLN 70 2.096 12.473 -0.947 592 2HB GLN 70 HB1 GLN 70 2.379 12.887 -2.637 593 1HG GLN 70 HG2 GLN 70 4.556 13.254 -2.214 594 2HG GLN 70 HG1 GLN 70 4.134 14.460 -0.998 595 1HE2 GLN 70 HE2 GLN 70 6.137 13.451 0.113 596 2HE2 GLN 70 HE2 GLN 70 5.877 12.088 1.090 597 H LEU 71 HN LEU 71 2.171 17.040 -1.197 598 HA LEU 71 HA LEU 71 2.357 17.521 -4.126 599 1HB LEU 71 HB2 LEU 71 1.491 18.924 -1.745 600 2HB LEU 71 HB1 LEU 71 2.661 19.900 -2.634 601 HG LEU 71 HG LEU 71 0.367 20.337 -3.429 602 1HD1 LEU 71 HD1 LEU 71 2.589 19.871 -4.965 603 2HD1 LEU 71 HD1 LEU 71 1.070 20.517 -5.585 604 3HD1 LEU 71 HD1 LEU 71 1.413 18.792 -5.715 605 1HD2 LEU 71 HD2 LEU 71 -0.031 17.824 -4.819 606 2HD2 LEU 71 HD2 LEU 71 -1.121 18.666 -3.717 607 3HD2 LEU 71 HD2 LEU 71 0.091 17.554 -3.080 Start of MODEL 2 1 1H THR 1 HT1 THR 1 9.060 -5.517 16.156 2 2H THR 1 HT2 THR 1 10.396 -6.343 15.506 3 3H THR 1 HT3 THR 1 8.961 -6.197 14.605 4 HA THR 1 HA THR 1 9.322 -3.692 14.718 5 HB THR 1 HB THR 1 12.096 -4.694 15.423 6 HG1 THR 1 HG1 THR 1 10.065 -3.571 17.050 7 1HG2 THR 1 HG2 THR 1 10.866 -1.923 15.446 8 2HG2 THR 1 HG2 THR 1 11.946 -2.542 14.196 9 3HG2 THR 1 HG2 THR 1 12.538 -2.321 15.843 10 H ARG 2 HN ARG 2 11.980 -5.943 13.850 11 HA ARG 2 HA ARG 2 11.344 -5.479 10.967 12 1HB ARG 2 HB2 ARG 2 13.356 -4.185 12.376 13 2HB ARG 2 HB1 ARG 2 14.204 -5.530 11.611 14 1HG ARG 2 HG2 ARG 2 12.853 -4.808 9.478 15 2HG ARG 2 HG1 ARG 2 12.704 -3.268 10.328 16 1HD ARG 2 HD2 ARG 2 15.429 -4.189 10.527 17 2HD ARG 2 HD1 ARG 2 14.930 -4.169 8.824 18 HE ARG 2 HE ARG 2 14.090 -1.807 9.284 19 1HH1 ARG 2 HH2 ARG 2 17.138 -2.071 9.272 20 2HH1 ARG 2 HH2 ARG 2 17.554 -1.133 10.667 21 1HH2 ARG 2 HH1 ARG 2 14.334 -1.123 11.951 22 2HH2 ARG 2 HH1 ARG 2 15.967 -0.595 12.182 23 H GLY 3 HN GLY 3 12.769 -7.045 9.604 24 1HA GLY 3 HA2 GLY 3 13.907 -9.379 10.824 25 2HA GLY 3 HA1 GLY 3 12.248 -9.719 10.329 26 H SER 4 HN SER 4 13.072 -11.221 8.725 27 HA SER 4 HA SER 4 14.534 -9.963 6.437 28 1HB SER 4 HB2 SER 4 14.313 -12.656 7.684 29 2HB SER 4 HB1 SER 4 14.516 -12.622 5.935 30 HG SER 4 HG SER 4 16.304 -11.130 6.386 31 H ASP 5 HN ASP 5 11.904 -9.177 6.498 32 HA ASP 5 HA ASP 5 10.209 -11.042 4.992 33 1HB ASP 5 HB2 ASP 5 9.962 -8.180 5.953 34 2HB ASP 5 HB1 ASP 5 8.669 -9.021 5.099 35 H ILE 6 HN ILE 6 8.967 -9.644 3.091 36 HA ILE 6 HA ILE 6 11.126 -8.582 1.294 37 HB ILE 6 HB ILE 6 8.739 -10.349 0.662 38 1HG1 ILE 6 HG1 ILE 6 10.554 -11.515 1.871 39 2HG1 ILE 6 HG1 ILE 6 10.458 -12.061 0.196 40 1HG2 ILE 6 HG2 ILE 6 10.725 -10.264 -1.399 41 2HG2 ILE 6 HG2 ILE 6 10.278 -8.608 -0.992 42 3HG2 ILE 6 HG2 ILE 6 9.037 -9.760 -1.488 43 1HD1 ILE 6 HD1 ILE 6 12.415 -10.044 1.330 44 2HD1 ILE 6 HD1 ILE 6 12.260 -10.419 -0.386 45 3HD1 ILE 6 HD1 ILE 6 12.792 -11.664 0.745 46 H SER 7 HN SER 7 9.465 -6.921 2.943 47 HA SER 7 HA SER 7 7.402 -5.854 1.089 48 1HB SER 7 HB2 SER 7 6.619 -4.695 3.101 49 2HB SER 7 HB1 SER 7 6.875 -6.399 3.467 50 HG SER 7 HG SER 7 8.236 -5.752 4.917 51 H LYS 8 HN LYS 8 10.163 -5.422 0.384 52 HA LYS 8 HA LYS 8 11.254 -2.945 1.271 53 1HB LYS 8 HB2 LYS 8 11.864 -4.980 -0.510 54 2HB LYS 8 HB1 LYS 8 11.627 -3.591 -1.571 55 1HG LYS 8 HG2 LYS 8 13.158 -2.288 -0.009 56 2HG LYS 8 HG1 LYS 8 13.546 -3.828 0.757 57 1HD LYS 8 HD2 LYS 8 15.013 -4.302 -0.878 58 2HD LYS 8 HD1 LYS 8 13.741 -4.142 -2.090 59 1HE LYS 8 HE2 LYS 8 15.273 -2.473 -2.747 60 2HE LYS 8 HE1 LYS 8 14.134 -1.553 -1.744 61 1HZ LYS 8 HZ1 LYS 8 16.771 -2.657 -0.977 62 2HZ LYS 8 HZ2 LYS 8 15.607 -2.237 0.188 63 3HZ LYS 8 HZ3 LYS 8 16.230 -1.054 -0.861 64 H THR 9 HN THR 9 11.528 -1.458 -1.141 65 HA THR 9 HA THR 9 9.087 0.117 -1.073 66 HB THR 9 HB THR 9 11.168 0.374 -3.212 67 HG1 THR 9 HG1 THR 9 11.608 1.011 -0.484 68 1HG2 THR 9 HG2 THR 9 9.337 2.021 -2.950 69 2HG2 THR 9 HG2 THR 9 10.918 2.750 -2.666 70 3HG2 THR 9 HG2 THR 9 9.877 2.341 -1.303 71 H CYS 10 HN CYS 10 10.560 -2.133 -3.410 72 HA CYS 10 HA CYS 10 8.439 -1.739 -5.390 73 1HB CYS 10 HB2 CYS 10 10.619 -3.834 -5.110 74 2HB CYS 10 HB1 CYS 10 9.710 -3.480 -6.576 75 H CYS 11 HN CYS 11 7.417 -3.951 -6.219 76 HA CYS 11 HA CYS 11 6.686 -5.726 -3.940 77 1HB CYS 11 HB2 CYS 11 4.872 -3.953 -5.583 78 2HB CYS 11 HB1 CYS 11 4.253 -5.372 -4.740 79 H PHE 12 HN PHE 12 5.544 -7.702 -4.735 80 HA PHE 12 HA PHE 12 5.929 -8.229 -7.644 81 1HB PHE 12 HB2 PHE 12 7.195 -9.462 -5.265 82 2HB PHE 12 HB1 PHE 12 6.627 -10.598 -6.489 83 HD1 PHE 12 HD1 PHE 12 7.597 -10.645 -8.722 84 HD2 PHE 12 HD2 PHE 12 8.931 -7.802 -5.792 85 HE1 PHE 12 HE1 PHE 12 9.570 -10.120 -10.130 86 HE2 PHE 12 HE2 PHE 12 10.904 -7.276 -7.200 87 HZ PHE 12 HZ PHE 12 11.224 -8.436 -9.369 88 H GLN 13 HN GLN 13 4.817 -9.961 -4.709 89 HA GLN 13 HA GLN 13 2.574 -11.136 -6.208 90 1HB GLN 13 HB2 GLN 13 2.235 -12.325 -4.056 91 2HB GLN 13 HB1 GLN 13 3.917 -12.416 -4.577 92 1HG GLN 13 HG2 GLN 13 4.501 -11.550 -2.581 93 2HG GLN 13 HG1 GLN 13 3.740 -10.041 -3.086 94 1HE2 GLN 13 HE2 GLN 13 3.779 -11.811 -0.439 95 2HE2 GLN 13 HE2 GLN 13 2.149 -11.779 0.032 96 H TYR 14 HN TYR 14 0.331 -10.979 -5.192 97 HA TYR 14 HA TYR 14 -0.121 -8.402 -3.768 98 1HB TYR 14 HB2 TYR 14 -1.539 -9.370 -6.268 99 2HB TYR 14 HB1 TYR 14 -1.889 -7.873 -5.404 100 HD1 TYR 14 HD1 TYR 14 0.501 -6.563 -4.818 101 HD2 TYR 14 HD2 TYR 14 -0.332 -9.042 -8.226 102 HE1 TYR 14 HE1 TYR 14 2.282 -5.405 -6.098 103 HE2 TYR 14 HE2 TYR 14 1.449 -7.884 -9.504 104 HH TYR 14 HH TYR 14 2.556 -5.444 -9.314 105 H SER 15 HN SER 15 -1.543 -8.697 -2.096 106 HA SER 15 HA SER 15 -2.977 -11.272 -1.870 107 1HB SER 15 HB2 SER 15 -2.952 -8.975 0.087 108 2HB SER 15 HB1 SER 15 -3.126 -10.694 0.426 109 HG SER 15 HG SER 15 -1.045 -10.430 0.822 110 H HIS 16 HN HIS 16 -4.962 -11.300 -2.886 111 HA HIS 16 HA HIS 16 -6.554 -8.813 -3.102 112 1HB HIS 16 HB2 HIS 16 -7.911 -10.197 -4.613 113 2HB HIS 16 HB1 HIS 16 -6.203 -10.371 -5.012 114 HD1 HIS 16 HD1 HIS 16 -5.046 -12.633 -4.375 115 HD2 HIS 16 HD2 HIS 16 -9.138 -12.535 -3.585 116 HE1 HIS 16 HE1 HIS 16 -5.747 -15.026 -3.927 117 H LYS 17 HN LYS 17 -6.247 -9.875 -0.424 118 HA LYS 17 HA LYS 17 -8.974 -10.956 0.128 119 1HB LYS 17 HB2 LYS 17 -6.436 -11.826 0.841 120 2HB LYS 17 HB1 LYS 17 -6.992 -10.985 2.289 121 1HG LYS 17 HG2 LYS 17 -8.809 -12.417 2.588 122 2HG LYS 17 HG1 LYS 17 -8.843 -12.892 0.890 123 1HD LYS 17 HD2 LYS 17 -7.971 -14.745 2.206 124 2HD LYS 17 HD1 LYS 17 -6.664 -14.076 1.227 125 1HE LYS 17 HE2 LYS 17 -6.581 -12.569 3.585 126 2HE LYS 17 HE1 LYS 17 -6.872 -14.233 4.129 127 1HZ LYS 17 HZ1 LYS 17 -5.121 -14.902 2.472 128 2HZ LYS 17 HZ2 LYS 17 -4.551 -14.050 3.827 129 3HZ LYS 17 HZ3 LYS 17 -4.722 -13.259 2.334 130 HA PRO 18 HA PRO 18 -9.907 -7.105 2.073 131 1HB PRO 18 HB2 PRO 18 -11.871 -7.910 3.798 132 2HB PRO 18 HB1 PRO 18 -12.126 -7.759 2.048 133 1HG PRO 18 HG2 PRO 18 -11.631 -10.191 3.684 134 2HG PRO 18 HG1 PRO 18 -12.703 -9.963 2.294 135 1HD PRO 18 HD2 PRO 18 -10.264 -11.184 2.140 136 2HD PRO 18 HD1 PRO 18 -11.031 -10.336 0.778 137 H LEU 19 HN LEU 19 -8.106 -6.552 3.332 138 HA LEU 19 HA LEU 19 -7.265 -7.991 5.692 139 1HB LEU 19 HB2 LEU 19 -5.955 -6.441 4.132 140 2HB LEU 19 HB1 LEU 19 -6.753 -5.096 4.947 141 HG LEU 19 HG LEU 19 -5.889 -6.088 7.136 142 1HD1 LEU 19 HD1 LEU 19 -5.361 -8.312 5.843 143 2HD1 LEU 19 HD1 LEU 19 -4.256 -7.769 7.105 144 3HD1 LEU 19 HD1 LEU 19 -3.862 -7.490 5.408 145 1HD2 LEU 19 HD2 LEU 19 -4.690 -4.393 5.241 146 2HD2 LEU 19 HD2 LEU 19 -3.404 -5.482 5.764 147 3HD2 LEU 19 HD2 LEU 19 -4.281 -4.519 6.952 148 HA PRO 20 HA PRO 20 -10.243 -6.396 8.549 149 1HB PRO 20 HB2 PRO 20 -8.787 -6.628 10.868 150 2HB PRO 20 HB1 PRO 20 -9.548 -8.011 10.053 151 1HG PRO 20 HG2 PRO 20 -6.716 -7.067 9.921 152 2HG PRO 20 HG1 PRO 20 -7.344 -8.716 10.092 153 1HD PRO 20 HD2 PRO 20 -6.479 -7.794 7.730 154 2HD PRO 20 HD1 PRO 20 -7.872 -8.892 7.842 155 H TRP 21 HN TRP 21 -10.585 -4.214 8.399 156 HA TRP 21 HA TRP 21 -8.721 -2.146 8.238 157 1HB TRP 21 HB2 TRP 21 -11.500 -2.244 9.440 158 2HB TRP 21 HB1 TRP 21 -10.660 -0.747 9.025 159 HD1 TRP 21 HD1 TRP 21 -12.602 -3.585 7.519 160 HE1 TRP 21 HE1 TRP 21 -12.806 -3.245 4.972 161 HE3 TRP 21 HE3 TRP 21 -9.315 0.270 6.878 162 HZ2 TRP 21 HZ2 TRP 21 -11.713 -1.563 2.934 163 HZ3 TRP 21 HZ3 TRP 21 -8.915 1.219 4.624 164 HH2 TRP 21 HH2 TRP 21 -10.110 0.309 2.652 165 H THR 22 HN THR 22 -9.795 -3.861 11.112 166 HA THR 22 HA THR 22 -9.054 -2.012 13.135 167 HB THR 22 HB THR 22 -8.623 -4.252 14.389 168 HG1 THR 22 HG1 THR 22 -9.252 -6.062 13.244 169 1HG2 THR 22 HG2 THR 22 -11.135 -3.293 13.096 170 2HG2 THR 22 HG2 THR 22 -10.731 -3.422 14.809 171 3HG2 THR 22 HG2 THR 22 -11.174 -4.865 13.896 172 H TRP 23 HN TRP 23 -7.103 -4.421 11.378 173 HA TRP 23 HA TRP 23 -4.637 -3.505 12.734 174 1HB TRP 23 HB2 TRP 23 -5.367 -5.728 10.811 175 2HB TRP 23 HB1 TRP 23 -3.712 -5.435 11.334 176 HD1 TRP 23 HD1 TRP 23 -6.192 -4.707 14.022 177 HE1 TRP 23 HE1 TRP 23 -6.194 -6.605 15.765 178 HE3 TRP 23 HE3 TRP 23 -3.444 -8.212 11.517 179 HZ2 TRP 23 HZ2 TRP 23 -5.171 -9.259 16.058 180 HZ3 TRP 23 HZ3 TRP 23 -2.976 -10.414 12.553 181 HH2 TRP 23 HH2 TRP 23 -3.835 -10.942 14.818 182 H VAL 24 HN VAL 24 -6.419 -2.679 9.948 183 HA VAL 24 HA VAL 24 -4.101 -2.103 8.239 184 HB VAL 24 HB VAL 24 -7.015 -1.284 8.027 185 1HG1 VAL 24 HG1 VAL 24 -4.960 -1.650 5.836 186 2HG1 VAL 24 HG1 VAL 24 -5.276 -0.091 6.596 187 3HG1 VAL 24 HG1 VAL 24 -6.557 -0.913 5.704 188 1HG2 VAL 24 HG2 VAL 24 -6.223 -3.430 6.275 189 2HG2 VAL 24 HG2 VAL 24 -7.487 -3.430 7.502 190 3HG2 VAL 24 HG2 VAL 24 -5.836 -3.869 7.939 191 H ARG 25 HN ARG 25 -3.112 -0.072 8.044 192 HA ARG 25 HA ARG 25 -4.196 2.097 9.813 193 1HB ARG 25 HB2 ARG 25 -1.963 0.773 10.270 194 2HB ARG 25 HB1 ARG 25 -1.310 1.836 9.024 195 1HG ARG 25 HG2 ARG 25 -2.954 3.185 11.080 196 2HG ARG 25 HG1 ARG 25 -1.437 2.502 11.665 197 1HD ARG 25 HD2 ARG 25 -0.526 3.670 9.405 198 2HD ARG 25 HD1 ARG 25 -1.881 4.755 9.770 199 HE ARG 25 HE ARG 25 -0.612 5.547 11.586 200 1HH1 ARG 25 HH1 ARG 25 0.732 2.600 10.434 201 2HH1 ARG 25 HH1 ARG 25 1.743 2.363 11.818 202 1HH2 ARG 25 HH2 ARG 25 0.515 5.109 13.536 203 2HH2 ARG 25 HH2 ARG 25 1.624 3.779 13.568 204 H SER 26 HN SER 26 -2.324 1.491 6.801 205 HA SER 26 HA SER 26 -3.708 3.678 5.443 206 1HB SER 26 HB2 SER 26 -1.701 5.112 5.248 207 2HB SER 26 HB1 SER 26 -2.151 4.885 6.936 208 HG SER 26 HG SER 26 0.123 4.575 6.438 209 H TYR 27 HN TYR 27 -1.722 4.231 3.505 210 HA TYR 27 HA TYR 27 -0.859 1.588 2.466 211 1HB TYR 27 HB2 TYR 27 -2.221 1.723 0.534 212 2HB TYR 27 HB1 TYR 27 -3.284 2.262 1.830 213 HD1 TYR 27 HD1 TYR 27 -3.593 4.757 2.215 214 HD2 TYR 27 HD2 TYR 27 -1.661 3.156 -1.270 215 HE1 TYR 27 HE1 TYR 27 -3.922 6.915 1.041 216 HE2 TYR 27 HE2 TYR 27 -1.990 5.313 -2.445 217 HH TYR 27 HH TYR 27 -4.107 7.630 -1.468 218 H GLU 28 HN GLU 28 -0.007 2.234 -0.004 219 HA GLU 28 HA GLU 28 1.266 4.791 -0.320 220 1HB GLU 28 HB2 GLU 28 3.568 4.102 0.257 221 2HB GLU 28 HB1 GLU 28 2.508 3.946 1.657 222 1HG GLU 28 HG2 GLU 28 2.190 1.514 1.018 223 2HG GLU 28 HG1 GLU 28 3.474 1.736 -0.172 224 H PHE 29 HN PHE 29 2.517 4.845 -2.310 225 HA PHE 29 HA PHE 29 1.959 2.508 -4.079 226 1HB PHE 29 HB2 PHE 29 1.669 5.287 -4.283 227 2HB PHE 29 HB1 PHE 29 3.054 4.912 -5.309 228 HD1 PHE 29 HD1 PHE 29 2.835 3.311 -7.189 229 HD2 PHE 29 HD2 PHE 29 -0.552 4.514 -4.836 230 HE1 PHE 29 HE1 PHE 29 1.309 2.429 -8.933 231 HE2 PHE 29 HE2 PHE 29 -2.077 3.632 -6.581 232 HZ PHE 29 HZ PHE 29 -1.146 2.589 -8.629 233 H THR 30 HN THR 30 3.653 1.530 -5.278 234 HA THR 30 HA THR 30 6.246 1.400 -4.082 235 HB THR 30 HB THR 30 6.668 0.385 -6.517 236 HG1 THR 30 HG1 THR 30 4.812 1.230 -7.439 237 1HG2 THR 30 HG2 THR 30 5.875 -0.609 -4.063 238 2HG2 THR 30 HG2 THR 30 6.331 -1.585 -5.459 239 3HG2 THR 30 HG2 THR 30 4.632 -1.223 -5.153 240 H SER 31 HN SER 31 8.310 2.027 -5.204 241 HA SER 31 HA SER 31 8.250 4.824 -6.007 242 1HB SER 31 HB2 SER 31 10.022 3.090 -4.823 243 2HB SER 31 HB1 SER 31 10.693 3.224 -6.445 244 HG SER 31 HG SER 31 11.337 4.851 -4.798 245 H ASN 32 HN ASN 32 9.452 5.503 -8.064 246 HA ASN 32 HA ASN 32 8.251 4.175 -10.376 247 1HB ASN 32 HB2 ASN 32 8.609 6.672 -9.954 248 2HB ASN 32 HB1 ASN 32 10.318 6.390 -10.292 249 1HD2 ASN 32 HD2 ASN 32 10.167 7.715 -12.276 250 2HD2 ASN 32 HD2 ASN 32 9.402 7.107 -13.664 251 H SER 33 HN SER 33 11.365 4.175 -8.775 252 HA SER 33 HA SER 33 12.957 3.190 -10.970 253 1HB SER 33 HB2 SER 33 13.453 4.206 -8.540 254 2HB SER 33 HB1 SER 33 13.545 2.497 -8.121 255 HG SER 33 HG SER 33 15.185 4.052 -9.736 256 H CYS 34 HN CYS 34 10.761 1.677 -8.703 257 HA CYS 34 HA CYS 34 11.673 -1.005 -8.737 258 1HB CYS 34 HB2 CYS 34 8.941 0.290 -8.581 259 2HB CYS 34 HB1 CYS 34 9.182 -1.441 -8.341 260 H SER 35 HN SER 35 10.763 -2.832 -10.005 261 HA SER 35 HA SER 35 10.561 -2.141 -12.872 262 1HB SER 35 HB2 SER 35 11.280 -4.423 -11.161 263 2HB SER 35 HB1 SER 35 10.385 -4.880 -12.608 264 HG SER 35 HG SER 35 12.711 -4.723 -12.866 265 H GLN 36 HN GLN 36 8.335 -2.413 -10.389 266 HA GLN 36 HA GLN 36 6.146 -2.946 -12.317 267 1HB GLN 36 HB2 GLN 36 7.240 -4.859 -10.468 268 2HB GLN 36 HB1 GLN 36 5.591 -4.468 -9.977 269 1HG GLN 36 HG2 GLN 36 5.376 -4.691 -12.727 270 2HG GLN 36 HG1 GLN 36 6.532 -5.958 -12.318 271 1HE2 GLN 36 HE2 GLN 36 5.736 -7.823 -11.251 272 2HE2 GLN 36 HE2 GLN 36 4.115 -8.022 -10.790 273 H ARG 37 HN ARG 37 4.712 -1.309 -11.934 274 HA ARG 37 HA ARG 37 4.735 0.202 -9.435 275 1HB ARG 37 HB2 ARG 37 2.914 0.251 -11.864 276 2HB ARG 37 HB1 ARG 37 3.009 1.511 -10.633 277 1HG ARG 37 HG2 ARG 37 5.523 1.620 -11.191 278 2HG ARG 37 HG1 ARG 37 5.115 0.696 -12.637 279 1HD ARG 37 HD2 ARG 37 4.602 2.679 -13.620 280 2HD ARG 37 HD1 ARG 37 3.199 2.757 -12.536 281 HE ARG 37 HE ARG 37 5.881 3.756 -11.658 282 1HH1 ARG 37 HH2 ARG 37 2.902 4.712 -12.907 283 2HH1 ARG 37 HH2 ARG 37 2.594 5.922 -11.706 284 1HH2 ARG 37 HH1 ARG 37 5.314 5.042 -9.742 285 2HH2 ARG 37 HH1 ARG 37 3.959 6.107 -9.912 286 H ALA 38 HN ALA 38 3.610 -0.473 -7.646 287 HA ALA 38 HA ALA 38 0.933 -1.702 -8.017 288 1HB ALA 38 HB1 ALA 38 2.464 -3.058 -5.955 289 2HB ALA 38 HB2 ALA 38 3.294 -3.143 -7.508 290 3HB ALA 38 HB3 ALA 38 1.643 -3.746 -7.357 291 H VAL 39 HN VAL 39 -0.434 -1.398 -6.182 292 HA VAL 39 HA VAL 39 0.339 0.832 -4.419 293 HB VAL 39 HB VAL 39 -2.172 -0.871 -4.603 294 1HG1 VAL 39 HG1 VAL 39 -1.407 1.059 -2.710 295 2HG1 VAL 39 HG1 VAL 39 -3.032 0.432 -2.978 296 3HG1 VAL 39 HG1 VAL 39 -2.505 1.899 -3.804 297 1HG2 VAL 39 HG2 VAL 39 -2.469 0.136 -6.600 298 2HG2 VAL 39 HG2 VAL 39 -1.040 1.143 -6.364 299 3HG2 VAL 39 HG2 VAL 39 -2.601 1.665 -5.731 300 H ILE 40 HN ILE 40 0.364 0.634 -2.068 301 HA ILE 40 HA ILE 40 0.550 -2.182 -1.067 302 HB ILE 40 HB ILE 40 2.359 0.204 -0.603 303 1HG1 ILE 40 HG1 ILE 40 3.230 -2.521 -1.498 304 2HG1 ILE 40 HG1 ILE 40 2.477 -1.441 -2.673 305 1HG2 ILE 40 HG2 ILE 40 2.377 -0.773 1.508 306 2HG2 ILE 40 HG2 ILE 40 3.652 -1.687 0.702 307 3HG2 ILE 40 HG2 ILE 40 2.042 -2.384 0.874 308 1HD1 ILE 40 HD1 ILE 40 4.456 -0.048 -1.052 309 2HD1 ILE 40 HD1 ILE 40 4.331 -0.161 -2.807 310 3HD1 ILE 40 HD1 ILE 40 5.164 -1.423 -1.899 311 H PHE 41 HN PHE 41 -0.402 -2.517 0.931 312 HA PHE 41 HA PHE 41 -1.652 -0.149 2.283 313 1HB PHE 41 HB2 PHE 41 -2.508 -3.058 2.055 314 2HB PHE 41 HB1 PHE 41 -3.380 -1.826 2.967 315 HD1 PHE 41 HD1 PHE 41 -3.240 -3.480 -0.115 316 HD2 PHE 41 HD2 PHE 41 -3.794 0.432 1.558 317 HE1 PHE 41 HE1 PHE 41 -4.399 -2.758 -2.185 318 HE2 PHE 41 HE2 PHE 41 -4.953 1.158 -0.509 319 HZ PHE 41 HZ PHE 41 -5.255 -0.440 -2.381 320 H THR 42 HN THR 42 -0.840 0.184 4.354 321 HA THR 42 HA THR 42 0.780 -2.016 5.543 322 HB THR 42 HB THR 42 1.848 0.168 5.157 323 HG1 THR 42 HG1 THR 42 2.749 0.258 7.120 324 1HG2 THR 42 HG2 THR 42 1.026 2.090 6.603 325 2HG2 THR 42 HG2 THR 42 -0.433 1.141 6.879 326 3HG2 THR 42 HG2 THR 42 -0.015 1.660 5.247 327 H THR 43 HN THR 43 0.545 -2.512 7.797 328 HA THR 43 HA THR 43 -2.245 -2.105 8.775 329 HB THR 43 HB THR 43 -1.700 -4.141 10.121 330 HG1 THR 43 HG1 THR 43 0.318 -5.168 9.451 331 1HG2 THR 43 HG2 THR 43 -2.465 -4.079 7.603 332 2HG2 THR 43 HG2 THR 43 -1.970 -5.605 8.333 333 3HG2 THR 43 HG2 THR 43 -0.849 -4.716 7.302 334 H LYS 44 HN LYS 44 -1.967 -2.624 11.438 335 HA LYS 44 HA LYS 44 -0.850 -0.130 12.466 336 1HB LYS 44 HB2 LYS 44 -2.229 -2.552 13.643 337 2HB LYS 44 HB1 LYS 44 -1.722 -1.179 14.628 338 1HG LYS 44 HG2 LYS 44 -3.290 -0.586 12.160 339 2HG LYS 44 HG1 LYS 44 -4.159 -1.287 13.527 340 1HD LYS 44 HD2 LYS 44 -2.878 0.536 14.918 341 2HD LYS 44 HD1 LYS 44 -2.707 1.336 13.356 342 1HE LYS 44 HE2 LYS 44 -5.285 0.904 13.130 343 2HE LYS 44 HE1 LYS 44 -5.223 0.731 14.896 344 1HZ LYS 44 HZ1 LYS 44 -5.554 3.057 14.177 345 2HZ LYS 44 HZ2 LYS 44 -4.053 3.006 13.384 346 3HZ LYS 44 HZ3 LYS 44 -4.130 2.844 15.074 347 H ARG 45 HN ARG 45 0.217 -3.437 12.197 348 HA ARG 45 HA ARG 45 2.216 -3.290 14.326 349 1HB ARG 45 HB2 ARG 45 1.784 -5.192 11.999 350 2HB ARG 45 HB1 ARG 45 2.850 -5.494 13.372 351 1HG ARG 45 HG2 ARG 45 0.794 -5.120 14.856 352 2HG ARG 45 HG1 ARG 45 -0.161 -5.240 13.377 353 1HD ARG 45 HD2 ARG 45 0.021 -7.499 13.375 354 2HD ARG 45 HD1 ARG 45 1.785 -7.402 13.542 355 HE ARG 45 HE ARG 45 0.122 -6.869 15.949 356 1HH1 ARG 45 HH2 ARG 45 3.118 -7.271 15.996 357 2HH1 ARG 45 HH2 ARG 45 3.241 -8.907 16.551 358 1HH2 ARG 45 HH1 ARG 45 -0.075 -9.664 15.875 359 2HH2 ARG 45 HH1 ARG 45 1.434 -10.263 16.478 360 H GLY 46 HN GLY 46 2.069 -2.225 11.047 361 1HA GLY 46 HA2 GLY 46 3.851 -0.765 10.209 362 2HA GLY 46 HA1 GLY 46 5.011 -1.738 11.113 363 H LYS 47 HN LYS 47 2.980 -3.985 9.858 364 HA LYS 47 HA LYS 47 4.874 -4.766 7.785 365 1HB LYS 47 HB2 LYS 47 2.431 -5.784 9.134 366 2HB LYS 47 HB1 LYS 47 2.715 -6.397 7.505 367 1HG LYS 47 HG2 LYS 47 5.200 -6.677 8.447 368 2HG LYS 47 HG1 LYS 47 4.336 -6.779 9.983 369 1HD LYS 47 HD2 LYS 47 2.799 -8.395 8.392 370 2HD LYS 47 HD1 LYS 47 4.410 -8.692 7.739 371 1HE LYS 47 HE2 LYS 47 5.255 -9.287 9.950 372 2HE LYS 47 HE1 LYS 47 3.698 -8.866 10.689 373 1HZ LYS 47 HZ1 LYS 47 3.908 -10.808 8.464 374 2HZ LYS 47 HZ2 LYS 47 2.608 -10.568 9.533 375 3HZ LYS 47 HZ3 LYS 47 4.042 -11.294 10.084 376 H LYS 48 HN LYS 48 4.644 -4.442 5.570 377 HA LYS 48 HA LYS 48 2.235 -2.894 4.699 378 1HB LYS 48 HB2 LYS 48 5.023 -3.091 3.518 379 2HB LYS 48 HB1 LYS 48 3.744 -2.007 2.970 380 1HG LYS 48 HG2 LYS 48 3.779 -1.338 5.580 381 2HG LYS 48 HG1 LYS 48 5.462 -1.838 5.394 382 1HD LYS 48 HD2 LYS 48 5.313 -0.356 3.199 383 2HD LYS 48 HD1 LYS 48 4.002 0.426 4.084 384 1HE LYS 48 HE2 LYS 48 5.578 1.628 5.185 385 2HE LYS 48 HE1 LYS 48 6.112 0.116 5.947 386 1HZ LYS 48 HZ1 LYS 48 6.957 1.042 3.253 387 2HZ LYS 48 HZ2 LYS 48 7.508 -0.346 4.062 388 3HZ LYS 48 HZ3 LYS 48 7.895 1.198 4.657 389 H VAL 49 HN VAL 49 0.897 -3.855 3.233 390 HA VAL 49 HA VAL 49 1.806 -6.401 1.947 391 HB VAL 49 HB VAL 49 -0.974 -5.245 2.354 392 1HG1 VAL 49 HG1 VAL 49 -0.757 -6.914 0.525 393 2HG1 VAL 49 HG1 VAL 49 -1.718 -7.533 1.868 394 3HG1 VAL 49 HG1 VAL 49 -0.045 -8.051 1.668 395 1HG2 VAL 49 HG2 VAL 49 0.842 -6.846 4.096 396 2HG2 VAL 49 HG2 VAL 49 -0.853 -7.333 4.055 397 3HG2 VAL 49 HG2 VAL 49 -0.419 -5.695 4.543 398 H CYS 50 HN CYS 50 2.120 -6.383 -0.255 399 HA CYS 50 HA CYS 50 1.685 -3.915 -1.770 400 1HB CYS 50 HB2 CYS 50 2.708 -6.694 -2.424 401 2HB CYS 50 HB1 CYS 50 2.700 -5.364 -3.580 402 H THR 51 HN THR 51 0.454 -3.893 -3.805 403 HA THR 51 HA THR 51 -1.533 -6.001 -4.319 404 HB THR 51 HB THR 51 -3.356 -4.131 -4.029 405 HG1 THR 51 HG1 THR 51 -2.522 -2.354 -3.326 406 1HG2 THR 51 HG2 THR 51 -3.866 -5.003 -1.926 407 2HG2 THR 51 HG2 THR 51 -2.174 -5.081 -1.438 408 3HG2 THR 51 HG2 THR 51 -2.813 -6.253 -2.589 409 H HIS 52 HN HIS 52 -3.178 -4.888 -6.069 410 HA HIS 52 HA HIS 52 -1.417 -3.469 -8.021 411 1HB HIS 52 HB2 HIS 52 -2.945 -5.864 -8.113 412 2HB HIS 52 HB1 HIS 52 -3.733 -4.710 -9.188 413 HD1 HIS 52 HD1 HIS 52 -2.919 -5.475 -11.451 414 HD2 HIS 52 HD2 HIS 52 0.198 -5.052 -8.716 415 HE1 HIS 52 HE1 HIS 52 -0.771 -5.777 -12.760 416 HA PRO 53 HA PRO 53 -4.335 -0.142 -7.691 417 1HB PRO 53 HB2 PRO 53 -3.645 1.230 -9.960 418 2HB PRO 53 HB1 PRO 53 -2.665 1.253 -8.480 419 1HG PRO 53 HG2 PRO 53 -2.278 -0.315 -10.980 420 2HG PRO 53 HG1 PRO 53 -1.078 0.476 -9.947 421 1HD PRO 53 HD2 PRO 53 -1.564 -2.203 -9.896 422 2HD PRO 53 HD1 PRO 53 -0.976 -1.288 -8.490 423 H ARG 54 HN ARG 54 -4.161 -2.347 -10.370 424 HA ARG 54 HA ARG 54 -6.409 -1.341 -11.895 425 1HB ARG 54 HB2 ARG 54 -4.423 -3.359 -12.026 426 2HB ARG 54 HB1 ARG 54 -5.977 -4.186 -12.129 427 1HG ARG 54 HG2 ARG 54 -6.461 -2.105 -13.787 428 2HG ARG 54 HG1 ARG 54 -4.722 -2.276 -14.025 429 1HD ARG 54 HD2 ARG 54 -5.608 -3.759 -15.636 430 2HD ARG 54 HD1 ARG 54 -5.289 -4.841 -14.265 431 HE ARG 54 HE ARG 54 -7.772 -4.160 -13.628 432 1HH1 ARG 54 HH2 ARG 54 -7.759 -2.990 -16.548 433 2HH1 ARG 54 HH2 ARG 54 -8.667 -4.227 -17.353 434 1HH2 ARG 54 HH1 ARG 54 -8.385 -6.499 -14.747 435 2HH2 ARG 54 HH1 ARG 54 -9.022 -6.214 -16.333 436 H LYS 55 HN LYS 55 -6.066 -3.549 -9.157 437 HA LYS 55 HA LYS 55 -8.648 -4.776 -9.256 438 1HB LYS 55 HB2 LYS 55 -6.408 -4.378 -7.377 439 2HB LYS 55 HB1 LYS 55 -7.969 -4.622 -6.594 440 1HG LYS 55 HG2 LYS 55 -7.666 -6.833 -6.935 441 2HG LYS 55 HG1 LYS 55 -7.944 -6.510 -8.648 442 1HD LYS 55 HD2 LYS 55 -5.206 -6.024 -7.536 443 2HD LYS 55 HD1 LYS 55 -5.708 -7.689 -7.841 444 1HE LYS 55 HE2 LYS 55 -6.069 -5.554 -9.951 445 2HE LYS 55 HE1 LYS 55 -4.546 -6.451 -9.795 446 1HZ LYS 55 HZ1 LYS 55 -5.934 -8.516 -9.758 447 2HZ LYS 55 HZ2 LYS 55 -5.922 -7.699 -11.248 448 3HZ LYS 55 HZ3 LYS 55 -7.263 -7.567 -10.213 449 H LYS 56 HN LYS 56 -10.599 -3.755 -9.071 450 HA LYS 56 HA LYS 56 -10.984 -1.027 -8.418 451 1HB LYS 56 HB2 LYS 56 -12.505 -2.715 -9.595 452 2HB LYS 56 HB1 LYS 56 -12.974 -3.265 -7.986 453 1HG LYS 56 HG2 LYS 56 -13.078 -0.384 -8.096 454 2HG LYS 56 HG1 LYS 56 -14.029 -1.065 -9.416 455 1HD LYS 56 HD2 LYS 56 -14.279 -2.123 -6.600 456 2HD LYS 56 HD1 LYS 56 -15.217 -0.731 -7.143 457 1HE LYS 56 HE2 LYS 56 -15.269 -2.999 -9.031 458 2HE LYS 56 HE1 LYS 56 -16.027 -3.337 -7.462 459 1HZ LYS 56 HZ1 LYS 56 -17.412 -1.475 -7.650 460 2HZ LYS 56 HZ2 LYS 56 -17.469 -2.191 -9.189 461 3HZ LYS 56 HZ3 LYS 56 -16.512 -0.811 -8.926 462 H TRP 57 HN TRP 57 -10.870 -3.879 -6.308 463 HA TRP 57 HA TRP 57 -11.977 -2.563 -3.988 464 1HB TRP 57 HB2 TRP 57 -11.519 -4.607 -2.941 465 2HB TRP 57 HB1 TRP 57 -11.601 -5.094 -4.628 466 HD1 TRP 57 HD1 TRP 57 -9.477 -6.118 -5.690 467 HE1 TRP 57 HE1 TRP 57 -7.101 -6.629 -4.829 468 HE3 TRP 57 HE3 TRP 57 -9.614 -3.664 -1.214 469 HZ2 TRP 57 HZ2 TRP 57 -5.474 -6.061 -2.544 470 HZ3 TRP 57 HZ3 TRP 57 -7.639 -3.672 0.283 471 HH2 TRP 57 HH2 TRP 57 -5.573 -4.865 -0.375 472 H VAL 58 HN VAL 58 -8.688 -2.923 -5.271 473 HA VAL 58 HA VAL 58 -7.247 -1.898 -3.025 474 HB VAL 58 HB VAL 58 -6.741 -1.741 -6.015 475 1HG1 VAL 58 HG1 VAL 58 -4.592 -1.756 -3.921 476 2HG1 VAL 58 HG1 VAL 58 -5.398 -0.237 -4.312 477 3HG1 VAL 58 HG1 VAL 58 -4.539 -1.128 -5.568 478 1HG2 VAL 58 HG2 VAL 58 -5.523 -3.804 -5.712 479 2HG2 VAL 58 HG2 VAL 58 -7.101 -4.019 -4.961 480 3HG2 VAL 58 HG2 VAL 58 -5.685 -3.702 -3.960 481 H GLN 59 HN GLN 59 -8.700 -0.261 -5.854 482 HA GLN 59 HA GLN 59 -7.870 2.396 -5.231 483 1HB GLN 59 HB2 GLN 59 -10.270 1.176 -6.626 484 2HB GLN 59 HB1 GLN 59 -10.010 2.919 -6.566 485 1HG GLN 59 HG2 GLN 59 -7.763 1.149 -7.468 486 2HG GLN 59 HG1 GLN 59 -9.072 1.511 -8.595 487 1HE2 GLN 59 HE2 GLN 59 -6.369 2.492 -8.968 488 2HE2 GLN 59 HE2 GLN 59 -6.413 4.183 -8.833 489 H LYS 60 HN LYS 60 -10.351 0.296 -3.940 490 HA LYS 60 HA LYS 60 -11.841 2.351 -2.536 491 1HB LYS 60 HB2 LYS 60 -11.983 -0.430 -3.130 492 2HB LYS 60 HB1 LYS 60 -12.055 -0.272 -1.375 493 1HG LYS 60 HG2 LYS 60 -13.684 1.701 -2.843 494 2HG LYS 60 HG1 LYS 60 -14.212 0.028 -3.034 495 1HD LYS 60 HD2 LYS 60 -14.463 -0.265 -0.677 496 2HD LYS 60 HD1 LYS 60 -13.599 1.233 -0.329 497 1HE LYS 60 HE2 LYS 60 -15.422 2.570 -0.869 498 2HE LYS 60 HE1 LYS 60 -16.081 1.382 -2.012 499 1HZ LYS 60 HZ1 LYS 60 -17.220 1.560 0.244 500 2HZ LYS 60 HZ2 LYS 60 -15.842 0.795 0.878 501 3HZ LYS 60 HZ3 LYS 60 -16.798 0.005 -0.285 502 H TYR 61 HN TYR 61 -9.159 0.147 -1.754 503 HA TYR 61 HA TYR 61 -9.116 0.893 1.070 504 1HB TYR 61 HB2 TYR 61 -7.596 -0.810 -0.840 505 2HB TYR 61 HB1 TYR 61 -6.733 -0.280 0.605 506 HD1 TYR 61 HD1 TYR 61 -6.845 -1.700 2.438 507 HD2 TYR 61 HD2 TYR 61 -10.172 -1.521 -0.275 508 HE1 TYR 61 HE1 TYR 61 -8.036 -3.410 3.784 509 HE2 TYR 61 HE2 TYR 61 -11.362 -3.229 1.073 510 HH TYR 61 HH TYR 61 -11.065 -4.827 2.691 511 H ILE 62 HN ILE 62 -7.389 1.865 -1.870 512 HA ILE 62 HA ILE 62 -5.395 3.493 -0.572 513 HB ILE 62 HB ILE 62 -6.679 3.663 -3.324 514 1HG1 ILE 62 HG1 ILE 62 -4.054 2.365 -2.567 515 2HG1 ILE 62 HG1 ILE 62 -5.569 1.464 -2.581 516 1HG2 ILE 62 HG2 ILE 62 -3.898 4.453 -3.151 517 2HG2 ILE 62 HG2 ILE 62 -4.879 5.422 -2.052 518 3HG2 ILE 62 HG2 ILE 62 -5.273 5.367 -3.769 519 1HD1 ILE 62 HD1 ILE 62 -4.275 1.309 -4.737 520 2HD1 ILE 62 HD1 ILE 62 -4.527 3.041 -4.949 521 3HD1 ILE 62 HD1 ILE 62 -5.909 1.946 -4.929 522 H SER 63 HN SER 63 -8.725 4.031 -1.602 523 HA SER 63 HA SER 63 -8.661 6.916 -1.089 524 1HB SER 63 HB2 SER 63 -11.078 6.684 -1.606 525 2HB SER 63 HB1 SER 63 -10.091 5.854 -2.805 526 HG SER 63 HG SER 63 -11.437 4.286 -2.279 527 H LEU 64 HN LEU 64 -9.651 3.968 0.592 528 HA LEU 64 HA LEU 64 -10.909 5.381 2.825 529 1HB LEU 64 HB2 LEU 64 -10.295 2.598 1.956 530 2HB LEU 64 HB1 LEU 64 -10.497 2.849 3.689 531 HG LEU 64 HG LEU 64 -12.485 3.762 1.591 532 1HD1 LEU 64 HD1 LEU 64 -12.642 1.408 1.557 533 2HD1 LEU 64 HD1 LEU 64 -13.866 1.885 2.733 534 3HD1 LEU 64 HD1 LEU 64 -12.307 1.272 3.284 535 1HD2 LEU 64 HD2 LEU 64 -13.381 3.390 4.350 536 2HD2 LEU 64 HD2 LEU 64 -13.587 4.780 3.286 537 3HD2 LEU 64 HD2 LEU 64 -12.102 4.598 4.219 538 H LEU 65 HN LEU 65 -7.749 3.966 2.093 539 HA LEU 65 HA LEU 65 -6.748 4.432 4.826 540 1HB LEU 65 HB2 LEU 65 -5.549 3.401 2.237 541 2HB LEU 65 HB1 LEU 65 -4.630 3.536 3.733 542 HG LEU 65 HG LEU 65 -7.052 1.792 3.209 543 1HD1 LEU 65 HD1 LEU 65 -5.035 0.314 4.407 544 2HD1 LEU 65 HD1 LEU 65 -4.146 1.419 3.358 545 3HD1 LEU 65 HD1 LEU 65 -5.378 0.358 2.678 546 1HD2 LEU 65 HD2 LEU 65 -6.647 1.063 5.629 547 2HD2 LEU 65 HD2 LEU 65 -7.403 2.641 5.418 548 3HD2 LEU 65 HD2 LEU 65 -5.686 2.530 5.808 549 H LYS 66 HN LYS 66 -7.524 6.624 2.669 550 HA LYS 66 HA LYS 66 -5.301 8.058 1.786 551 1HB LYS 66 HB2 LYS 66 -6.841 10.054 2.114 552 2HB LYS 66 HB1 LYS 66 -7.552 8.703 1.235 553 1HG LYS 66 HG2 LYS 66 -8.941 8.104 2.999 554 2HG LYS 66 HG1 LYS 66 -7.874 8.807 4.215 555 1HD LYS 66 HD2 LYS 66 -8.731 10.918 3.951 556 2HD LYS 66 HD1 LYS 66 -9.041 10.688 2.230 557 1HE LYS 66 HE2 LYS 66 -10.915 9.078 2.924 558 2HE LYS 66 HE1 LYS 66 -10.718 9.731 4.563 559 1HZ LYS 66 HZ1 LYS 66 -12.288 11.118 3.505 560 2HZ LYS 66 HZ2 LYS 66 -11.367 11.217 2.081 561 3HZ LYS 66 HZ3 LYS 66 -10.833 11.991 3.497 562 H THR 67 HN THR 67 -3.659 9.127 2.795 563 HA THR 67 HA THR 67 -3.993 10.275 5.482 564 HB THR 67 HB THR 67 -1.980 8.079 4.944 565 HG1 THR 67 HG1 THR 67 -3.404 6.703 5.674 566 1HG2 THR 67 HG2 THR 67 -2.536 9.935 7.165 567 2HG2 THR 67 HG2 THR 67 -1.055 9.063 6.771 568 3HG2 THR 67 HG2 THR 67 -2.350 8.251 7.650 569 HA PRO 68 HA PRO 68 -0.700 11.946 2.492 570 1HB PRO 68 HB2 PRO 68 -1.992 14.221 1.687 571 2HB PRO 68 HB1 PRO 68 -2.114 12.680 0.816 572 1HG PRO 68 HG2 PRO 68 -4.022 13.922 2.735 573 2HG PRO 68 HG1 PRO 68 -4.345 13.041 1.233 574 1HD PRO 68 HD2 PRO 68 -4.615 11.926 3.694 575 2HD PRO 68 HD1 PRO 68 -4.182 10.991 2.246 576 H LYS 69 HN LYS 69 0.317 12.282 4.617 577 HA LYS 69 HA LYS 69 -0.443 14.709 6.123 578 1HB LYS 69 HB2 LYS 69 0.247 12.311 6.962 579 2HB LYS 69 HB1 LYS 69 1.889 12.910 6.718 580 1HG LYS 69 HG2 LYS 69 1.765 14.341 8.484 581 2HG LYS 69 HG1 LYS 69 0.090 14.774 8.138 582 1HD LYS 69 HD2 LYS 69 -0.005 13.586 10.194 583 2HD LYS 69 HD1 LYS 69 -0.515 12.419 8.973 584 1HE LYS 69 HE2 LYS 69 1.741 11.450 8.908 585 2HE LYS 69 HE1 LYS 69 2.306 12.655 10.082 586 1HZ LYS 69 HZ1 LYS 69 1.698 10.830 11.386 587 2HZ LYS 69 HZ2 LYS 69 0.303 10.511 10.470 588 3HZ LYS 69 HZ3 LYS 69 0.360 11.866 11.494 589 H GLN 70 HN GLN 70 0.307 15.863 3.930 590 HA GLN 70 HA GLN 70 3.120 16.750 4.397 591 1HB GLN 70 HB2 GLN 70 3.524 16.554 1.956 592 2HB GLN 70 HB1 GLN 70 3.121 14.991 2.667 593 1HG GLN 70 HG2 GLN 70 0.734 15.362 1.980 594 2HG GLN 70 HG1 GLN 70 1.252 16.822 1.137 595 1HE2 GLN 70 HE2 GLN 70 1.752 16.494 -1.030 596 2HE2 GLN 70 HE2 GLN 70 2.256 15.020 -1.704 597 H LEU 71 HN LEU 71 3.522 18.743 2.858 598 HA LEU 71 HA LEU 71 1.271 20.610 3.281 599 1HB LEU 71 HB2 LEU 71 2.989 22.282 2.736 600 2HB LEU 71 HB1 LEU 71 3.629 21.127 3.905 601 HG LEU 71 HG LEU 71 4.098 20.117 1.257 602 1HD1 LEU 71 HD1 LEU 71 4.641 23.028 1.707 603 2HD1 LEU 71 HD1 LEU 71 4.177 22.192 0.224 604 3HD1 LEU 71 HD1 LEU 71 5.834 22.081 0.817 605 1HD2 LEU 71 HD2 LEU 71 5.315 19.903 3.601 606 2HD2 LEU 71 HD2 LEU 71 6.233 21.289 3.010 607 3HD2 LEU 71 HD2 LEU 71 6.239 19.775 2.104 Start of MODEL 3 1 1H THR 1 HT1 THR 1 10.205 16.078 13.104 2 2H THR 1 HT2 THR 1 8.966 15.498 12.096 3 3H THR 1 HT3 THR 1 9.078 17.158 12.440 4 HA THR 1 HA THR 1 9.973 16.998 10.299 5 HB THR 1 HB THR 1 12.151 16.821 12.406 6 HG1 THR 1 HG1 THR 1 11.943 19.137 12.223 7 1HG2 THR 1 HG2 THR 1 12.957 16.556 10.043 8 2HG2 THR 1 HG2 THR 1 13.562 18.010 10.838 9 3HG2 THR 1 HG2 THR 1 12.242 18.125 9.674 10 H ARG 2 HN ARG 2 10.828 15.679 8.674 11 HA ARG 2 HA ARG 2 11.623 12.910 9.504 12 1HB ARG 2 HB2 ARG 2 10.046 14.131 7.280 13 2HB ARG 2 HB1 ARG 2 10.963 12.669 6.913 14 1HG ARG 2 HG2 ARG 2 9.193 11.542 7.764 15 2HG ARG 2 HG1 ARG 2 9.792 12.056 9.342 16 1HD ARG 2 HD2 ARG 2 8.345 14.004 9.334 17 2HD ARG 2 HD1 ARG 2 7.848 13.678 7.662 18 HE ARG 2 HE ARG 2 7.177 11.335 8.798 19 1HH1 ARG 2 HH1 ARG 2 7.437 13.166 11.362 20 2HH1 ARG 2 HH1 ARG 2 5.756 13.441 11.674 21 1HH2 ARG 2 HH2 ARG 2 4.720 12.286 8.573 22 2HH2 ARG 2 HH2 ARG 2 4.217 12.943 10.094 23 H GLY 3 HN GLY 3 13.708 12.311 9.043 24 1HA GLY 3 HA2 GLY 3 15.395 14.178 7.490 25 2HA GLY 3 HA1 GLY 3 15.976 12.822 8.457 26 H SER 4 HN SER 4 14.188 10.846 7.328 27 HA SER 4 HA SER 4 14.745 10.821 4.424 28 1HB SER 4 HB2 SER 4 15.860 8.641 6.192 29 2HB SER 4 HB1 SER 4 16.269 9.001 4.516 30 HG SER 4 HG SER 4 17.473 9.870 6.672 31 H ASP 5 HN ASP 5 13.787 8.837 3.409 32 HA ASP 5 HA ASP 5 11.604 7.651 5.073 33 1HB ASP 5 HB2 ASP 5 11.567 9.295 2.688 34 2HB ASP 5 HB1 ASP 5 10.811 7.734 2.366 35 H ILE 6 HN ILE 6 11.558 5.423 4.999 36 HA ILE 6 HA ILE 6 13.260 4.083 2.923 37 HB ILE 6 HB ILE 6 12.433 3.237 5.719 38 1HG1 ILE 6 HG1 ILE 6 15.278 3.632 5.103 39 2HG1 ILE 6 HG1 ILE 6 14.326 5.111 4.970 40 1HG2 ILE 6 HG2 ILE 6 13.838 1.880 3.473 41 2HG2 ILE 6 HG2 ILE 6 12.847 1.192 4.760 42 3HG2 ILE 6 HG2 ILE 6 14.519 1.652 5.085 43 1HD1 ILE 6 HD1 ILE 6 14.564 5.255 7.220 44 2HD1 ILE 6 HD1 ILE 6 15.053 3.566 7.360 45 3HD1 ILE 6 HD1 ILE 6 13.341 3.986 7.287 46 H SER 7 HN SER 7 10.621 4.755 2.204 47 HA SER 7 HA SER 7 8.955 2.353 2.654 48 1HB SER 7 HB2 SER 7 7.206 3.727 1.833 49 2HB SER 7 HB1 SER 7 8.244 4.844 2.714 50 HG SER 7 HG SER 7 8.220 5.861 0.860 51 H LYS 8 HN LYS 8 11.496 2.540 0.870 52 HA LYS 8 HA LYS 8 10.503 2.146 -1.849 53 1HB LYS 8 HB2 LYS 8 13.138 1.872 -0.397 54 2HB LYS 8 HB1 LYS 8 12.977 1.428 -2.096 55 1HG LYS 8 HG2 LYS 8 11.806 3.837 -2.205 56 2HG LYS 8 HG1 LYS 8 12.866 4.122 -0.825 57 1HD LYS 8 HD2 LYS 8 14.281 2.716 -2.929 58 2HD LYS 8 HD1 LYS 8 13.584 4.217 -3.540 59 1HE LYS 8 HE2 LYS 8 15.158 5.432 -2.459 60 2HE LYS 8 HE1 LYS 8 14.750 4.652 -0.917 61 1HZ LYS 8 HZ1 LYS 8 17.064 4.216 -1.887 62 2HZ LYS 8 HZ2 LYS 8 16.269 3.215 -3.005 63 3HZ LYS 8 HZ3 LYS 8 16.172 2.881 -1.341 64 H THR 9 HN THR 9 9.346 0.283 -2.257 65 HA THR 9 HA THR 9 10.614 -2.316 -1.721 66 HB THR 9 HB THR 9 7.946 -1.575 -0.484 67 HG1 THR 9 HG1 THR 9 9.359 -0.576 0.777 68 1HG2 THR 9 HG2 THR 9 7.792 -3.855 -0.607 69 2HG2 THR 9 HG2 THR 9 8.810 -3.770 0.831 70 3HG2 THR 9 HG2 THR 9 9.537 -4.067 -0.747 71 H CYS 10 HN CYS 10 10.388 -3.017 -3.844 72 HA CYS 10 HA CYS 10 8.255 -2.382 -5.622 73 1HB CYS 10 HB2 CYS 10 10.014 -4.855 -5.489 74 2HB CYS 10 HB1 CYS 10 9.185 -4.251 -6.921 75 H CYS 11 HN CYS 11 7.148 -4.693 -6.567 76 HA CYS 11 HA CYS 11 5.947 -6.178 -4.297 77 1HB CYS 11 HB2 CYS 11 4.583 -4.193 -6.099 78 2HB CYS 11 HB1 CYS 11 3.662 -5.524 -5.399 79 H PHE 12 HN PHE 12 6.038 -8.283 -4.983 80 HA PHE 12 HA PHE 12 5.881 -8.855 -7.899 81 1HB PHE 12 HB2 PHE 12 6.990 -10.228 -5.459 82 2HB PHE 12 HB1 PHE 12 6.704 -11.143 -6.941 83 HD1 PHE 12 HD1 PHE 12 9.153 -9.415 -5.201 84 HD2 PHE 12 HD2 PHE 12 7.496 -9.733 -9.150 85 HE1 PHE 12 HE1 PHE 12 11.266 -8.537 -6.158 86 HE2 PHE 12 HE2 PHE 12 9.608 -8.856 -10.107 87 HZ PHE 12 HZ PHE 12 11.493 -8.257 -8.612 88 H GLN 13 HN GLN 13 4.766 -10.372 -4.848 89 HA GLN 13 HA GLN 13 2.558 -11.701 -6.262 90 1HB GLN 13 HB2 GLN 13 3.812 -11.690 -3.543 91 2HB GLN 13 HB1 GLN 13 2.170 -12.313 -3.697 92 1HG GLN 13 HG2 GLN 13 3.971 -13.292 -5.796 93 2HG GLN 13 HG1 GLN 13 4.478 -13.763 -4.174 94 1HE2 GLN 13 HE2 GLN 13 3.741 -15.945 -5.427 95 2HE2 GLN 13 HE2 GLN 13 2.143 -16.420 -5.107 96 H TYR 14 HN TYR 14 0.322 -11.532 -5.100 97 HA TYR 14 HA TYR 14 -0.213 -8.855 -3.955 98 1HB TYR 14 HB2 TYR 14 -1.396 -9.934 -6.532 99 2HB TYR 14 HB1 TYR 14 -1.948 -8.469 -5.719 100 HD1 TYR 14 HD1 TYR 14 0.064 -6.807 -5.041 101 HD2 TYR 14 HD2 TYR 14 0.164 -9.670 -8.241 102 HE1 TYR 14 HE1 TYR 14 1.865 -5.509 -6.146 103 HE2 TYR 14 HE2 TYR 14 1.965 -8.372 -9.346 104 HH TYR 14 HH TYR 14 2.705 -5.840 -9.285 105 H SER 15 HN SER 15 -2.270 -8.779 -2.861 106 HA SER 15 HA SER 15 -3.373 -11.470 -2.233 107 1HB SER 15 HB2 SER 15 -2.600 -10.292 -0.316 108 2HB SER 15 HB1 SER 15 -3.304 -8.775 -0.869 109 HG SER 15 HG SER 15 -4.763 -11.110 -0.162 110 H HIS 16 HN HIS 16 -5.730 -11.683 -2.078 111 HA HIS 16 HA HIS 16 -7.251 -9.646 -3.672 112 1HB HIS 16 HB2 HIS 16 -8.407 -11.614 -4.704 113 2HB HIS 16 HB1 HIS 16 -6.677 -11.588 -5.051 114 HD1 HIS 16 HD1 HIS 16 -9.298 -13.509 -3.223 115 HD2 HIS 16 HD2 HIS 16 -5.149 -13.563 -3.612 116 HE1 HIS 16 HE1 HIS 16 -8.515 -15.708 -2.238 117 H LYS 17 HN LYS 17 -7.484 -9.262 -1.075 118 HA LYS 17 HA LYS 17 -10.205 -10.134 -0.426 119 1HB LYS 17 HB2 LYS 17 -9.471 -11.261 1.678 120 2HB LYS 17 HB1 LYS 17 -8.845 -12.072 0.241 121 1HG LYS 17 HG2 LYS 17 -6.746 -10.640 0.516 122 2HG LYS 17 HG1 LYS 17 -7.367 -10.210 2.110 123 1HD LYS 17 HD2 LYS 17 -7.634 -12.822 2.378 124 2HD LYS 17 HD1 LYS 17 -6.413 -12.869 1.106 125 1HE LYS 17 HE2 LYS 17 -5.155 -11.121 2.625 126 2HE LYS 17 HE1 LYS 17 -6.178 -11.800 3.906 127 1HZ LYS 17 HZ1 LYS 17 -4.732 -13.539 2.003 128 2HZ LYS 17 HZ2 LYS 17 -5.379 -13.940 3.522 129 3HZ LYS 17 HZ3 LYS 17 -3.982 -12.980 3.418 130 HA PRO 18 HA PRO 18 -9.926 -6.247 1.640 131 1HB PRO 18 HB2 PRO 18 -12.076 -6.439 3.320 132 2HB PRO 18 HB1 PRO 18 -12.237 -6.172 1.573 133 1HG PRO 18 HG2 PRO 18 -12.581 -8.668 3.145 134 2HG PRO 18 HG1 PRO 18 -13.473 -8.091 1.730 135 1HD PRO 18 HD2 PRO 18 -11.518 -10.012 1.635 136 2HD PRO 18 HD1 PRO 18 -11.971 -8.979 0.262 137 H LEU 19 HN LEU 19 -8.263 -5.991 3.087 138 HA LEU 19 HA LEU 19 -7.703 -7.799 5.273 139 1HB LEU 19 HB2 LEU 19 -6.393 -5.874 3.834 140 2HB LEU 19 HB1 LEU 19 -6.698 -5.010 5.341 141 HG LEU 19 HG LEU 19 -5.752 -7.763 5.745 142 1HD1 LEU 19 HD1 LEU 19 -4.245 -7.610 4.009 143 2HD1 LEU 19 HD1 LEU 19 -3.330 -6.730 5.233 144 3HD1 LEU 19 HD1 LEU 19 -4.253 -5.847 4.018 145 1HD2 LEU 19 HD2 LEU 19 -4.424 -6.697 7.444 146 2HD2 LEU 19 HD2 LEU 19 -5.989 -5.885 7.452 147 3HD2 LEU 19 HD2 LEU 19 -4.602 -5.118 6.679 148 HA PRO 20 HA PRO 20 -10.466 -6.148 8.300 149 1HB PRO 20 HB2 PRO 20 -9.028 -6.636 10.589 150 2HB PRO 20 HB1 PRO 20 -9.888 -7.905 9.691 151 1HG PRO 20 HG2 PRO 20 -6.994 -7.174 9.625 152 2HG PRO 20 HG1 PRO 20 -7.750 -8.776 9.659 153 1HD PRO 20 HD2 PRO 20 -6.789 -7.706 7.383 154 2HD PRO 20 HD1 PRO 20 -8.230 -8.749 7.399 155 H TRP 21 HN TRP 21 -10.578 -3.921 8.154 156 HA TRP 21 HA TRP 21 -8.555 -2.015 8.178 157 1HB TRP 21 HB2 TRP 21 -11.397 -2.018 9.199 158 2HB TRP 21 HB1 TRP 21 -10.433 -0.541 9.140 159 HD1 TRP 21 HD1 TRP 21 -12.241 -3.033 6.941 160 HE1 TRP 21 HE1 TRP 21 -12.213 -2.193 4.501 161 HE3 TRP 21 HE3 TRP 21 -9.017 0.900 7.400 162 HZ2 TRP 21 HZ2 TRP 21 -10.981 -0.128 2.953 163 HZ3 TRP 21 HZ3 TRP 21 -8.434 2.285 5.431 164 HH2 TRP 21 HH2 TRP 21 -9.412 1.777 3.209 165 H THR 22 HN THR 22 -9.823 -3.797 10.917 166 HA THR 22 HA THR 22 -9.005 -2.127 13.062 167 HB THR 22 HB THR 22 -8.815 -4.429 14.210 168 HG1 THR 22 HG1 THR 22 -8.902 -6.120 12.979 169 1HG2 THR 22 HG2 THR 22 -11.330 -3.865 12.616 170 2HG2 THR 22 HG2 THR 22 -10.891 -3.037 14.109 171 3HG2 THR 22 HG2 THR 22 -11.224 -4.768 14.127 172 H TRP 23 HN TRP 23 -7.188 -4.436 11.082 173 HA TRP 23 HA TRP 23 -4.695 -3.806 12.585 174 1HB TRP 23 HB2 TRP 23 -5.716 -6.005 10.818 175 2HB TRP 23 HB1 TRP 23 -3.977 -5.765 10.939 176 HD1 TRP 23 HD1 TRP 23 -5.628 -4.815 14.111 177 HE1 TRP 23 HE1 TRP 23 -5.342 -6.676 15.871 178 HE3 TRP 23 HE3 TRP 23 -3.934 -8.596 11.126 179 HZ2 TRP 23 HZ2 TRP 23 -4.507 -9.410 15.995 180 HZ3 TRP 23 HZ3 TRP 23 -3.402 -10.816 12.089 181 HH2 TRP 23 HH2 TRP 23 -3.687 -11.227 14.518 182 H VAL 24 HN VAL 24 -6.320 -2.545 9.982 183 HA VAL 24 HA VAL 24 -3.982 -2.296 8.196 184 HB VAL 24 HB VAL 24 -6.805 -1.196 8.076 185 1HG1 VAL 24 HG1 VAL 24 -6.118 -0.006 6.291 186 2HG1 VAL 24 HG1 VAL 24 -5.536 -1.484 5.525 187 3HG1 VAL 24 HG1 VAL 24 -4.464 -0.551 6.570 188 1HG2 VAL 24 HG2 VAL 24 -5.975 -3.817 7.866 189 2HG2 VAL 24 HG2 VAL 24 -5.929 -3.281 6.187 190 3HG2 VAL 24 HG2 VAL 24 -7.427 -3.163 7.108 191 H ARG 25 HN ARG 25 -2.602 -0.558 8.295 192 HA ARG 25 HA ARG 25 -3.368 1.721 10.070 193 1HB ARG 25 HB2 ARG 25 -1.346 0.361 10.571 194 2HB ARG 25 HB1 ARG 25 -0.681 0.805 8.999 195 1HG ARG 25 HG2 ARG 25 0.109 2.725 9.858 196 2HG ARG 25 HG1 ARG 25 -1.525 3.198 10.327 197 1HD ARG 25 HD2 ARG 25 -1.184 1.610 12.357 198 2HD ARG 25 HD1 ARG 25 0.542 1.722 11.960 199 HE ARG 25 HE ARG 25 -0.442 4.356 11.888 200 1HH1 ARG 25 HH1 ARG 25 0.854 2.032 13.969 201 2HH1 ARG 25 HH1 ARG 25 0.575 2.934 15.421 202 1HH2 ARG 25 HH2 ARG 25 -1.241 5.427 13.837 203 2HH2 ARG 25 HH2 ARG 25 -0.610 4.856 15.346 204 H SER 26 HN SER 26 -1.613 1.153 6.973 205 HA SER 26 HA SER 26 -2.979 3.453 5.750 206 1HB SER 26 HB2 SER 26 -1.034 4.848 5.595 207 2HB SER 26 HB1 SER 26 -1.118 4.321 7.271 208 HG SER 26 HG SER 26 0.868 3.716 6.853 209 H TYR 27 HN TYR 27 -0.957 3.898 3.761 210 HA TYR 27 HA TYR 27 -0.340 1.260 2.590 211 1HB TYR 27 HB2 TYR 27 -1.832 1.473 0.748 212 2HB TYR 27 HB1 TYR 27 -2.788 1.953 2.144 213 HD1 TYR 27 HD1 TYR 27 -3.544 4.238 2.428 214 HD2 TYR 27 HD2 TYR 27 -0.937 3.172 -0.812 215 HE1 TYR 27 HE1 TYR 27 -3.968 6.438 1.361 216 HE2 TYR 27 HE2 TYR 27 -1.359 5.367 -1.880 217 HH TYR 27 HH TYR 27 -2.220 7.863 -0.671 218 H GLU 28 HN GLU 28 0.453 1.864 0.120 219 HA GLU 28 HA GLU 28 1.692 4.439 -0.260 220 1HB GLU 28 HB2 GLU 28 4.012 3.766 0.255 221 2HB GLU 28 HB1 GLU 28 2.993 3.605 1.684 222 1HG GLU 28 HG2 GLU 28 2.646 1.153 0.867 223 2HG GLU 28 HG1 GLU 28 4.095 1.444 -0.097 224 H PHE 29 HN PHE 29 2.374 4.578 -2.400 225 HA PHE 29 HA PHE 29 1.924 2.261 -4.134 226 1HB PHE 29 HB2 PHE 29 2.411 5.179 -4.328 227 2HB PHE 29 HB1 PHE 29 2.988 4.232 -5.699 228 HD1 PHE 29 HD1 PHE 29 0.017 3.930 -3.427 229 HD2 PHE 29 HD2 PHE 29 1.456 4.314 -7.455 230 HE1 PHE 29 HE1 PHE 29 -2.306 3.742 -4.273 231 HE2 PHE 29 HE2 PHE 29 -0.867 4.126 -8.303 232 HZ PHE 29 HZ PHE 29 -2.748 3.839 -6.712 233 H THR 30 HN THR 30 3.578 1.286 -5.473 234 HA THR 30 HA THR 30 6.070 0.735 -4.238 235 HB THR 30 HB THR 30 6.560 0.194 -6.834 236 HG1 THR 30 HG1 THR 30 4.848 1.153 -7.757 237 1HG2 THR 30 HG2 THR 30 6.404 -1.633 -5.399 238 2HG2 THR 30 HG2 THR 30 4.983 -1.867 -6.419 239 3HG2 THR 30 HG2 THR 30 4.808 -1.163 -4.811 240 H SER 31 HN SER 31 8.256 1.283 -5.319 241 HA SER 31 HA SER 31 8.515 4.193 -5.461 242 1HB SER 31 HB2 SER 31 10.539 1.978 -5.903 243 2HB SER 31 HB1 SER 31 10.895 3.656 -5.502 244 HG SER 31 HG SER 31 10.674 1.820 -3.792 245 H ASN 32 HN ASN 32 10.139 4.958 -7.317 246 HA ASN 32 HA ASN 32 8.794 4.348 -9.870 247 1HB ASN 32 HB2 ASN 32 10.175 6.269 -10.634 248 2HB ASN 32 HB1 ASN 32 9.284 6.653 -9.162 249 1HD2 ASN 32 HD2 ASN 32 11.449 8.245 -9.517 250 2HD2 ASN 32 HD2 ASN 32 12.745 7.779 -8.523 251 H SER 33 HN SER 33 11.588 3.256 -8.194 252 HA SER 33 HA SER 33 12.868 2.375 -10.740 253 1HB SER 33 HB2 SER 33 14.132 3.814 -9.110 254 2HB SER 33 HB1 SER 33 13.982 2.520 -7.925 255 HG SER 33 HG SER 33 15.822 2.785 -9.763 256 H CYS 34 HN CYS 34 10.634 0.892 -9.979 257 HA CYS 34 HA CYS 34 11.810 -1.571 -8.729 258 1HB CYS 34 HB2 CYS 34 9.206 -0.139 -8.574 259 2HB CYS 34 HB1 CYS 34 9.125 -1.900 -8.563 260 H SER 35 HN SER 35 11.621 -3.503 -9.896 261 HA SER 35 HA SER 35 11.362 -3.487 -12.712 262 1HB SER 35 HB2 SER 35 12.443 -5.307 -11.628 263 2HB SER 35 HB1 SER 35 11.074 -5.586 -10.556 264 HG SER 35 HG SER 35 11.420 -6.243 -13.261 265 H GLN 36 HN GLN 36 8.918 -3.590 -10.223 266 HA GLN 36 HA GLN 36 6.810 -3.728 -12.345 267 1HB GLN 36 HB2 GLN 36 7.458 -5.608 -10.255 268 2HB GLN 36 HB1 GLN 36 5.851 -4.939 -9.960 269 1HG GLN 36 HG2 GLN 36 6.269 -5.559 -12.780 270 2HG GLN 36 HG1 GLN 36 6.472 -6.981 -11.756 271 1HE2 GLN 36 HE2 GLN 36 4.427 -7.940 -12.391 272 2HE2 GLN 36 HE2 GLN 36 2.940 -7.270 -11.921 273 H ARG 37 HN ARG 37 4.636 -2.955 -11.330 274 HA ARG 37 HA ARG 37 5.146 -0.847 -9.278 275 1HB ARG 37 HB2 ARG 37 3.577 0.569 -10.661 276 2HB ARG 37 HB1 ARG 37 5.092 0.180 -11.473 277 1HG ARG 37 HG2 ARG 37 2.913 -1.780 -11.880 278 2HG ARG 37 HG1 ARG 37 2.637 -0.193 -12.595 279 1HD ARG 37 HD2 ARG 37 4.623 -0.334 -13.920 280 2HD ARG 37 HD1 ARG 37 5.223 -1.726 -12.996 281 HE ARG 37 HE ARG 37 2.805 -2.641 -13.890 282 1HH1 ARG 37 HH2 ARG 37 5.785 -2.883 -15.076 283 2HH1 ARG 37 HH2 ARG 37 5.383 -2.823 -16.760 284 1HH2 ARG 37 HH1 ARG 37 2.124 -1.774 -16.218 285 2HH2 ARG 37 HH1 ARG 37 3.312 -2.195 -17.406 286 H ALA 38 HN ALA 38 3.578 -0.740 -7.674 287 HA ALA 38 HA ALA 38 0.856 -1.684 -8.063 288 1HB ALA 38 HB1 ALA 38 1.735 -3.860 -8.004 289 2HB ALA 38 HB2 ALA 38 1.310 -3.587 -6.314 290 3HB ALA 38 HB3 ALA 38 2.984 -3.422 -6.840 291 H VAL 39 HN VAL 39 -0.430 -1.384 -6.110 292 HA VAL 39 HA VAL 39 0.688 0.655 -4.291 293 HB VAL 39 HB VAL 39 -2.051 -0.652 -4.432 294 1HG1 VAL 39 HG1 VAL 39 -2.453 1.879 -3.560 295 2HG1 VAL 39 HG1 VAL 39 -0.850 1.584 -2.890 296 3HG1 VAL 39 HG1 VAL 39 -2.191 0.519 -2.469 297 1HG2 VAL 39 HG2 VAL 39 -2.586 1.536 -5.682 298 2HG2 VAL 39 HG2 VAL 39 -1.687 0.312 -6.577 299 3HG2 VAL 39 HG2 VAL 39 -0.844 1.703 -5.895 300 H ILE 40 HN ILE 40 0.678 0.339 -1.940 301 HA ILE 40 HA ILE 40 0.588 -2.538 -1.115 302 HB ILE 40 HB ILE 40 2.546 -0.330 -0.418 303 1HG1 ILE 40 HG1 ILE 40 3.292 -2.971 -1.602 304 2HG1 ILE 40 HG1 ILE 40 2.557 -1.770 -2.662 305 1HG2 ILE 40 HG2 ILE 40 1.838 -2.151 1.379 306 2HG2 ILE 40 HG2 ILE 40 3.530 -1.711 1.161 307 3HG2 ILE 40 HG2 ILE 40 2.899 -3.181 0.420 308 1HD1 ILE 40 HD1 ILE 40 5.254 -1.896 -1.874 309 2HD1 ILE 40 HD1 ILE 40 4.567 -0.540 -0.979 310 3HD1 ILE 40 HD1 ILE 40 4.464 -0.578 -2.740 311 H PHE 41 HN PHE 41 -0.484 -2.930 0.806 312 HA PHE 41 HA PHE 41 -1.646 -0.571 2.245 313 1HB PHE 41 HB2 PHE 41 -2.458 -3.475 1.899 314 2HB PHE 41 HB1 PHE 41 -3.262 -2.392 3.034 315 HD1 PHE 41 HD1 PHE 41 -3.893 -3.823 0.084 316 HD2 PHE 41 HD2 PHE 41 -3.400 0.146 1.649 317 HE1 PHE 41 HE1 PHE 41 -5.295 -2.926 -1.752 318 HE2 PHE 41 HE2 PHE 41 -4.801 1.044 -0.189 319 HZ PHE 41 HZ PHE 41 -5.750 -0.493 -1.890 320 H THR 42 HN THR 42 -0.749 -0.202 4.270 321 HA THR 42 HA THR 42 0.898 -2.358 5.450 322 HB THR 42 HB THR 42 0.871 0.251 6.761 323 HG1 THR 42 HG1 THR 42 2.043 1.149 4.867 324 1HG2 THR 42 HG2 THR 42 3.291 0.033 6.414 325 2HG2 THR 42 HG2 THR 42 3.012 -1.326 5.326 326 3HG2 THR 42 HG2 THR 42 2.615 -1.472 7.038 327 H THR 43 HN THR 43 0.619 -2.984 7.658 328 HA THR 43 HA THR 43 -2.160 -2.610 8.636 329 HB THR 43 HB THR 43 -1.494 -4.607 10.045 330 HG1 THR 43 HG1 THR 43 0.803 -4.005 9.817 331 1HG2 THR 43 HG2 THR 43 -2.138 -5.964 8.340 332 2HG2 THR 43 HG2 THR 43 -0.819 -5.433 7.296 333 3HG2 THR 43 HG2 THR 43 -2.285 -4.462 7.427 334 H LYS 44 HN LYS 44 -1.995 -3.039 11.276 335 HA LYS 44 HA LYS 44 -0.777 -0.569 12.295 336 1HB LYS 44 HB2 LYS 44 -2.911 -2.407 12.926 337 2HB LYS 44 HB1 LYS 44 -1.919 -2.126 14.358 338 1HG LYS 44 HG2 LYS 44 -2.323 0.184 14.343 339 2HG LYS 44 HG1 LYS 44 -2.795 0.187 12.643 340 1HD LYS 44 HD2 LYS 44 -4.832 -1.105 13.221 341 2HD LYS 44 HD1 LYS 44 -4.369 -1.049 14.922 342 1HE LYS 44 HE2 LYS 44 -4.267 1.554 14.530 343 2HE LYS 44 HE1 LYS 44 -5.328 1.187 13.155 344 1HZ LYS 44 HZ1 LYS 44 -6.723 1.479 15.036 345 2HZ LYS 44 HZ2 LYS 44 -5.753 0.477 16.006 346 3HZ LYS 44 HZ3 LYS 44 -6.665 -0.190 14.736 347 H ARG 45 HN ARG 45 -0.001 -3.956 12.215 348 HA ARG 45 HA ARG 45 1.734 -3.935 14.570 349 1HB ARG 45 HB2 ARG 45 0.424 -5.867 13.448 350 2HB ARG 45 HB1 ARG 45 1.750 -5.910 12.286 351 1HG ARG 45 HG2 ARG 45 3.357 -6.188 14.160 352 2HG ARG 45 HG1 ARG 45 2.003 -6.221 15.291 353 1HD ARG 45 HD2 ARG 45 1.096 -8.152 13.769 354 2HD ARG 45 HD1 ARG 45 2.781 -8.271 13.226 355 HE ARG 45 HE ARG 45 1.804 -8.995 15.869 356 1HH1 ARG 45 HH1 ARG 45 3.772 -6.866 16.503 357 2HH1 ARG 45 HH1 ARG 45 5.268 -7.738 16.565 358 1HH2 ARG 45 HH2 ARG 45 4.027 -10.510 14.892 359 2HH2 ARG 45 HH2 ARG 45 5.412 -9.801 15.653 360 H GLY 46 HN GLY 46 2.091 -3.272 11.149 361 1HA GLY 46 HA2 GLY 46 4.081 -1.823 10.605 362 2HA GLY 46 HA1 GLY 46 5.033 -2.941 11.581 363 H LYS 47 HN LYS 47 2.652 -4.599 9.818 364 HA LYS 47 HA LYS 47 4.718 -5.632 7.973 365 1HB LYS 47 HB2 LYS 47 2.894 -6.855 9.509 366 2HB LYS 47 HB1 LYS 47 1.906 -6.634 8.065 367 1HG LYS 47 HG2 LYS 47 4.355 -7.525 7.073 368 2HG LYS 47 HG1 LYS 47 4.108 -8.490 8.528 369 1HD LYS 47 HD2 LYS 47 2.006 -9.306 7.752 370 2HD LYS 47 HD1 LYS 47 1.936 -8.109 6.458 371 1HE LYS 47 HE2 LYS 47 3.348 -9.311 5.095 372 2HE LYS 47 HE1 LYS 47 4.305 -9.922 6.459 373 1HZ LYS 47 HZ1 LYS 47 1.481 -10.710 6.102 374 2HZ LYS 47 HZ2 LYS 47 2.696 -11.490 6.997 375 3HZ LYS 47 HZ3 LYS 47 2.718 -11.545 5.298 376 H LYS 48 HN LYS 48 4.750 -5.012 5.840 377 HA LYS 48 HA LYS 48 2.483 -3.353 4.832 378 1HB LYS 48 HB2 LYS 48 5.186 -3.816 3.551 379 2HB LYS 48 HB1 LYS 48 4.091 -2.458 3.307 380 1HG LYS 48 HG2 LYS 48 4.545 -2.378 6.033 381 2HG LYS 48 HG1 LYS 48 6.114 -2.872 5.394 382 1HD LYS 48 HD2 LYS 48 4.544 -0.534 4.285 383 2HD LYS 48 HD1 LYS 48 5.764 -0.363 5.546 384 1HE LYS 48 HE2 LYS 48 6.844 -1.964 3.400 385 2HE LYS 48 HE1 LYS 48 6.216 -0.437 2.750 386 1HZ LYS 48 HZ1 LYS 48 7.843 -0.573 5.223 387 2HZ LYS 48 HZ2 LYS 48 7.447 0.803 4.308 388 3HZ LYS 48 HZ3 LYS 48 8.540 -0.345 3.694 389 H VAL 49 HN VAL 49 1.239 -4.061 3.103 390 HA VAL 49 HA VAL 49 1.972 -6.716 1.901 391 HB VAL 49 HB VAL 49 -0.741 -5.453 2.419 392 1HG1 VAL 49 HG1 VAL 49 -0.525 -8.353 1.961 393 2HG1 VAL 49 HG1 VAL 49 -0.094 -7.376 0.557 394 3HG1 VAL 49 HG1 VAL 49 -1.681 -7.193 1.305 395 1HG2 VAL 49 HG2 VAL 49 0.468 -7.855 3.800 396 2HG2 VAL 49 HG2 VAL 49 -0.935 -6.906 4.291 397 3HG2 VAL 49 HG2 VAL 49 0.684 -6.220 4.425 398 H CYS 50 HN CYS 50 1.863 -6.867 -0.361 399 HA CYS 50 HA CYS 50 1.707 -4.320 -1.851 400 1HB CYS 50 HB2 CYS 50 2.527 -7.171 -2.390 401 2HB CYS 50 HB1 CYS 50 2.326 -6.037 -3.725 402 H THR 51 HN THR 51 0.306 -4.111 -3.749 403 HA THR 51 HA THR 51 -1.875 -6.041 -4.158 404 HB THR 51 HB THR 51 -3.488 -3.993 -3.653 405 HG1 THR 51 HG1 THR 51 -2.353 -2.393 -2.916 406 1HG2 THR 51 HG2 THR 51 -3.089 -6.292 -2.432 407 2HG2 THR 51 HG2 THR 51 -3.995 -5.013 -1.624 408 3HG2 THR 51 HG2 THR 51 -2.300 -5.283 -1.220 409 H HIS 52 HN HIS 52 -3.299 -5.294 -5.990 410 HA HIS 52 HA HIS 52 -1.717 -3.722 -7.939 411 1HB HIS 52 HB2 HIS 52 -3.459 -5.994 -7.944 412 2HB HIS 52 HB1 HIS 52 -4.158 -4.765 -8.997 413 HD1 HIS 52 HD1 HIS 52 -0.873 -6.605 -8.459 414 HD2 HIS 52 HD2 HIS 52 -2.875 -4.505 -11.452 415 HE1 HIS 52 HE1 HIS 52 0.510 -6.867 -10.565 416 HA PRO 53 HA PRO 53 -4.417 -0.248 -7.325 417 1HB PRO 53 HB2 PRO 53 -3.683 1.215 -9.515 418 2HB PRO 53 HB1 PRO 53 -2.673 1.079 -8.063 419 1HG PRO 53 HG2 PRO 53 -2.422 -0.303 -10.679 420 2HG PRO 53 HG1 PRO 53 -1.162 0.284 -9.583 421 1HD PRO 53 HD2 PRO 53 -1.929 -2.347 -9.799 422 2HD PRO 53 HD1 PRO 53 -1.153 -1.640 -8.364 423 H ARG 54 HN ARG 54 -4.391 -2.222 -10.206 424 HA ARG 54 HA ARG 54 -6.559 -1.006 -11.641 425 1HB ARG 54 HB2 ARG 54 -4.763 -3.097 -11.949 426 2HB ARG 54 HB1 ARG 54 -6.315 -3.927 -11.817 427 1HG ARG 54 HG2 ARG 54 -7.237 -2.424 -13.575 428 2HG ARG 54 HG1 ARG 54 -5.644 -1.687 -13.747 429 1HD ARG 54 HD2 ARG 54 -4.707 -3.945 -14.313 430 2HD ARG 54 HD1 ARG 54 -6.360 -4.591 -14.282 431 HE ARG 54 HE ARG 54 -5.387 -2.509 -16.192 432 1HH1 ARG 54 HH2 ARG 54 -8.370 -2.743 -15.245 433 2HH1 ARG 54 HH2 ARG 54 -9.038 -3.579 -16.606 434 1HH2 ARG 54 HH1 ARG 54 -5.950 -4.485 -17.900 435 2HH2 ARG 54 HH1 ARG 54 -7.667 -4.567 -18.109 436 H LYS 55 HN LYS 55 -6.505 -3.707 -9.287 437 HA LYS 55 HA LYS 55 -9.220 -4.423 -9.317 438 1HB LYS 55 HB2 LYS 55 -6.945 -4.472 -7.411 439 2HB LYS 55 HB1 LYS 55 -8.543 -4.699 -6.701 440 1HG LYS 55 HG2 LYS 55 -8.455 -6.847 -7.367 441 2HG LYS 55 HG1 LYS 55 -8.539 -6.271 -9.033 442 1HD LYS 55 HD2 LYS 55 -5.864 -6.045 -7.826 443 2HD LYS 55 HD1 LYS 55 -6.442 -7.705 -7.981 444 1HE LYS 55 HE2 LYS 55 -7.124 -6.938 -10.414 445 2HE LYS 55 HE1 LYS 55 -5.896 -5.687 -10.140 446 1HZ LYS 55 HZ1 LYS 55 -5.555 -8.627 -9.916 447 2HZ LYS 55 HZ2 LYS 55 -4.411 -7.510 -9.340 448 3HZ LYS 55 HZ3 LYS 55 -4.773 -7.581 -10.999 449 H LYS 56 HN LYS 56 -11.042 -3.270 -8.851 450 HA LYS 56 HA LYS 56 -11.090 -0.557 -8.040 451 1HB LYS 56 HB2 LYS 56 -12.926 -2.791 -8.487 452 2HB LYS 56 HB1 LYS 56 -13.514 -1.680 -7.250 453 1HG LYS 56 HG2 LYS 56 -12.586 -0.878 -10.024 454 2HG LYS 56 HG1 LYS 56 -14.267 -0.992 -9.504 455 1HD LYS 56 HD2 LYS 56 -12.978 0.593 -7.562 456 2HD LYS 56 HD1 LYS 56 -12.393 1.178 -9.119 457 1HE LYS 56 HE2 LYS 56 -15.208 0.701 -9.373 458 2HE LYS 56 HE1 LYS 56 -14.935 1.684 -7.920 459 1HZ LYS 56 HZ1 LYS 56 -14.950 3.219 -9.671 460 2HZ LYS 56 HZ2 LYS 56 -14.032 2.215 -10.689 461 3HZ LYS 56 HZ3 LYS 56 -13.302 2.970 -9.353 462 H TRP 57 HN TRP 57 -11.487 -3.524 -6.075 463 HA TRP 57 HA TRP 57 -12.127 -2.312 -3.611 464 1HB TRP 57 HB2 TRP 57 -11.897 -4.471 -2.859 465 2HB TRP 57 HB1 TRP 57 -11.745 -4.832 -4.572 466 HD1 TRP 57 HD1 TRP 57 -9.503 -5.809 -5.397 467 HE1 TRP 57 HE1 TRP 57 -7.261 -6.390 -4.263 468 HE3 TRP 57 HE3 TRP 57 -10.235 -3.637 -0.834 469 HZ2 TRP 57 HZ2 TRP 57 -5.953 -5.984 -1.751 470 HZ3 TRP 57 HZ3 TRP 57 -8.478 -3.751 0.910 471 HH2 TRP 57 HH2 TRP 57 -6.340 -4.920 0.458 472 H VAL 58 HN VAL 58 -8.954 -2.766 -5.151 473 HA VAL 58 HA VAL 58 -7.334 -1.906 -2.941 474 HB VAL 58 HB VAL 58 -6.981 -1.816 -5.954 475 1HG1 VAL 58 HG1 VAL 58 -4.467 -2.011 -4.844 476 2HG1 VAL 58 HG1 VAL 58 -5.269 -0.885 -3.750 477 3HG1 VAL 58 HG1 VAL 58 -5.177 -0.525 -5.473 478 1HG2 VAL 58 HG2 VAL 58 -5.386 -3.793 -5.137 479 2HG2 VAL 58 HG2 VAL 58 -7.099 -4.072 -5.449 480 3HG2 VAL 58 HG2 VAL 58 -6.530 -3.837 -3.797 481 H GLN 59 HN GLN 59 -8.527 -0.103 -5.809 482 HA GLN 59 HA GLN 59 -7.540 2.458 -5.035 483 1HB GLN 59 HB2 GLN 59 -10.025 1.668 -6.601 484 2HB GLN 59 HB1 GLN 59 -9.234 3.243 -6.665 485 1HG GLN 59 HG2 GLN 59 -7.102 1.869 -7.297 486 2HG GLN 59 HG1 GLN 59 -8.253 0.596 -7.709 487 1HE2 GLN 59 HE2 GLN 59 -6.882 1.516 -9.864 488 2HE2 GLN 59 HE2 GLN 59 -7.824 2.569 -10.807 489 H LYS 60 HN LYS 60 -10.360 0.595 -4.110 490 HA LYS 60 HA LYS 60 -11.794 2.742 -2.807 491 1HB LYS 60 HB2 LYS 60 -12.701 0.547 -3.678 492 2HB LYS 60 HB1 LYS 60 -11.894 -0.252 -2.329 493 1HG LYS 60 HG2 LYS 60 -13.515 0.363 -0.886 494 2HG LYS 60 HG1 LYS 60 -13.456 2.038 -1.435 495 1HD LYS 60 HD2 LYS 60 -14.716 1.147 -3.536 496 2HD LYS 60 HD1 LYS 60 -15.100 -0.240 -2.515 497 1HE LYS 60 HE2 LYS 60 -15.692 2.658 -1.804 498 2HE LYS 60 HE1 LYS 60 -16.887 1.472 -2.367 499 1HZ LYS 60 HZ1 LYS 60 -15.226 1.336 0.089 500 2HZ LYS 60 HZ2 LYS 60 -16.095 0.009 -0.519 501 3HZ LYS 60 HZ3 LYS 60 -16.918 1.404 -0.008 502 H TYR 61 HN TYR 61 -9.328 0.406 -1.840 503 HA TYR 61 HA TYR 61 -9.535 1.006 1.012 504 1HB TYR 61 HB2 TYR 61 -8.083 -0.759 -0.825 505 2HB TYR 61 HB1 TYR 61 -7.080 -0.190 0.511 506 HD1 TYR 61 HD1 TYR 61 -7.135 -1.397 2.499 507 HD2 TYR 61 HD2 TYR 61 -10.563 -1.467 -0.089 508 HE1 TYR 61 HE1 TYR 61 -8.256 -2.996 4.026 509 HE2 TYR 61 HE2 TYR 61 -11.684 -3.067 1.439 510 HH TYR 61 HH TYR 61 -10.052 -4.744 3.858 511 H ILE 62 HN ILE 62 -7.275 1.812 -1.618 512 HA ILE 62 HA ILE 62 -5.415 3.353 -0.130 513 HB ILE 62 HB ILE 62 -6.434 3.649 -2.977 514 1HG1 ILE 62 HG1 ILE 62 -3.880 2.283 -2.204 515 2HG1 ILE 62 HG1 ILE 62 -5.398 1.410 -1.996 516 1HG2 ILE 62 HG2 ILE 62 -4.829 5.207 -3.334 517 2HG2 ILE 62 HG2 ILE 62 -3.634 4.302 -2.404 518 3HG2 ILE 62 HG2 ILE 62 -4.770 5.369 -1.579 519 1HD1 ILE 62 HD1 ILE 62 -5.922 1.542 -4.305 520 2HD1 ILE 62 HD1 ILE 62 -4.205 1.142 -4.263 521 3HD1 ILE 62 HD1 ILE 62 -4.717 2.798 -4.589 522 H SER 63 HN SER 63 -8.576 4.205 -1.490 523 HA SER 63 HA SER 63 -8.316 7.059 -0.951 524 1HB SER 63 HB2 SER 63 -10.800 6.931 -1.490 525 2HB SER 63 HB1 SER 63 -9.736 6.274 -2.732 526 HG SER 63 HG SER 63 -10.428 4.312 -2.294 527 H LEU 64 HN LEU 64 -9.872 4.291 0.667 528 HA LEU 64 HA LEU 64 -11.065 5.897 2.776 529 1HB LEU 64 HB2 LEU 64 -10.882 3.119 1.886 530 2HB LEU 64 HB1 LEU 64 -10.847 3.257 3.644 531 HG LEU 64 HG LEU 64 -12.858 4.884 2.142 532 1HD1 LEU 64 HD1 LEU 64 -13.438 2.027 2.911 533 2HD1 LEU 64 HD1 LEU 64 -12.834 2.428 1.304 534 3HD1 LEU 64 HD1 LEU 64 -14.369 3.094 1.860 535 1HD2 LEU 64 HD2 LEU 64 -13.862 5.015 4.192 536 2HD2 LEU 64 HD2 LEU 64 -12.263 4.563 4.780 537 3HD2 LEU 64 HD2 LEU 64 -13.509 3.331 4.581 538 H LEU 65 HN LEU 65 -8.162 3.795 2.586 539 HA LEU 65 HA LEU 65 -7.334 4.004 5.278 540 1HB LEU 65 HB2 LEU 65 -6.203 3.324 2.656 541 2HB LEU 65 HB1 LEU 65 -5.001 3.977 3.767 542 HG LEU 65 HG LEU 65 -6.855 1.634 4.308 543 1HD1 LEU 65 HD1 LEU 65 -4.548 1.606 2.866 544 2HD1 LEU 65 HD1 LEU 65 -5.086 0.251 3.858 545 3HD1 LEU 65 HD1 LEU 65 -3.907 1.394 4.493 546 1HD2 LEU 65 HD2 LEU 65 -4.929 1.679 6.283 547 2HD2 LEU 65 HD2 LEU 65 -6.580 2.268 6.472 548 3HD2 LEU 65 HD2 LEU 65 -5.283 3.393 6.068 549 H LYS 66 HN LYS 66 -6.933 6.271 2.592 550 HA LYS 66 HA LYS 66 -6.574 8.534 4.339 551 1HB LYS 66 HB2 LYS 66 -4.392 7.026 4.405 552 2HB LYS 66 HB1 LYS 66 -4.042 7.848 2.885 553 1HG LYS 66 HG2 LYS 66 -3.404 9.697 3.994 554 2HG LYS 66 HG1 LYS 66 -4.972 9.782 4.797 555 1HD LYS 66 HD2 LYS 66 -4.113 8.006 6.404 556 2HD LYS 66 HD1 LYS 66 -2.515 8.267 5.704 557 1HE LYS 66 HE2 LYS 66 -2.228 10.178 6.893 558 2HE LYS 66 HE1 LYS 66 -3.822 10.789 6.411 559 1HZ LYS 66 HZ1 LYS 66 -3.158 8.939 8.623 560 2HZ LYS 66 HZ2 LYS 66 -4.729 9.023 7.979 561 3HZ LYS 66 HZ3 LYS 66 -4.025 10.395 8.694 562 H THR 67 HN THR 67 -5.993 10.523 3.053 563 HA THR 67 HA THR 67 -6.807 10.211 0.197 564 HB THR 67 HB THR 67 -6.969 12.703 1.896 565 HG1 THR 67 HG1 THR 67 -8.126 11.224 3.032 566 1HG2 THR 67 HG2 THR 67 -8.877 11.854 -0.262 567 2HG2 THR 67 HG2 THR 67 -7.318 12.553 -0.703 568 3HG2 THR 67 HG2 THR 67 -8.456 13.480 0.275 569 HA PRO 68 HA PRO 68 -2.527 11.614 -0.249 570 1HB PRO 68 HB2 PRO 68 -2.324 11.042 -2.916 571 2HB PRO 68 HB1 PRO 68 -2.144 9.814 -1.648 572 1HG PRO 68 HG2 PRO 68 -4.475 10.403 -3.393 573 2HG PRO 68 HG1 PRO 68 -3.864 8.849 -2.811 574 1HD PRO 68 HD2 PRO 68 -6.033 10.131 -1.746 575 2HD PRO 68 HD1 PRO 68 -5.016 8.984 -0.846 576 H LYS 69 HN LYS 69 -5.364 12.551 -2.105 577 HA LYS 69 HA LYS 69 -4.220 15.271 -2.396 578 1HB LYS 69 HB2 LYS 69 -4.887 15.223 -4.825 579 2HB LYS 69 HB1 LYS 69 -3.576 14.111 -4.430 580 1HG LYS 69 HG2 LYS 69 -4.817 12.449 -5.307 581 2HG LYS 69 HG1 LYS 69 -5.947 12.664 -3.970 582 1HD LYS 69 HD2 LYS 69 -6.772 14.692 -5.524 583 2HD LYS 69 HD1 LYS 69 -6.133 13.634 -6.782 584 1HE LYS 69 HE2 LYS 69 -7.770 12.241 -4.751 585 2HE LYS 69 HE1 LYS 69 -8.661 13.402 -5.756 586 1HZ LYS 69 HZ1 LYS 69 -7.989 12.364 -7.704 587 2HZ LYS 69 HZ2 LYS 69 -8.299 11.047 -6.677 588 3HZ LYS 69 HZ3 LYS 69 -6.701 11.550 -6.958 589 H GLN 70 HN GLN 70 -5.798 16.838 -2.165 590 HA GLN 70 HA GLN 70 -8.633 15.889 -1.953 591 1HB GLN 70 HB2 GLN 70 -7.054 17.089 -0.106 592 2HB GLN 70 HB1 GLN 70 -7.755 18.517 -0.871 593 1HG GLN 70 HG2 GLN 70 -9.848 18.079 -0.075 594 2HG GLN 70 HG1 GLN 70 -9.667 16.335 -0.277 595 1HE2 GLN 70 HE2 GLN 70 -9.673 15.274 1.702 596 2HE2 GLN 70 HE2 GLN 70 -9.034 15.894 3.147 597 H LEU 71 HN LEU 71 -10.278 17.548 -2.649 598 HA LEU 71 HA LEU 71 -9.264 19.394 -4.777 599 1HB LEU 71 HB2 LEU 71 -10.110 17.064 -5.523 600 2HB LEU 71 HB1 LEU 71 -11.713 17.651 -5.075 601 HG LEU 71 HG LEU 71 -11.161 19.699 -6.556 602 1HD1 LEU 71 HD1 LEU 71 -9.515 19.301 -8.314 603 2HD1 LEU 71 HD1 LEU 71 -9.159 17.703 -7.657 604 3HD1 LEU 71 HD1 LEU 71 -8.732 19.148 -6.741 605 1HD2 LEU 71 HD2 LEU 71 -12.812 18.398 -7.502 606 2HD2 LEU 71 HD2 LEU 71 -11.861 16.918 -7.379 607 3HD2 LEU 71 HD2 LEU 71 -11.528 18.076 -8.668 Start of MODEL 4 1 1H THR 1 HT1 THR 1 14.570 -4.086 15.341 2 2H THR 1 HT2 THR 1 13.819 -3.890 16.853 3 3H THR 1 HT3 THR 1 15.040 -2.815 16.360 4 HA THR 1 HA THR 1 13.090 -1.605 15.985 5 HB THR 1 HB THR 1 13.816 -3.090 13.438 6 HG1 THR 1 HG1 THR 1 15.699 -2.324 14.019 7 1HG2 THR 1 HG2 THR 1 13.026 -0.194 13.697 8 2HG2 THR 1 HG2 THR 1 11.805 -1.454 13.519 9 3HG2 THR 1 HG2 THR 1 13.015 -1.216 12.258 10 H ARG 2 HN ARG 2 12.778 -5.022 15.337 11 HA ARG 2 HA ARG 2 10.882 -6.417 15.214 12 1HB ARG 2 HB2 ARG 2 10.298 -4.160 16.927 13 2HB ARG 2 HB1 ARG 2 8.833 -4.676 16.092 14 1HG ARG 2 HG2 ARG 2 8.849 -6.776 17.062 15 2HG ARG 2 HG1 ARG 2 10.600 -6.780 17.274 16 1HD ARG 2 HD2 ARG 2 9.771 -6.488 19.481 17 2HD ARG 2 HD1 ARG 2 10.159 -4.832 18.969 18 HE ARG 2 HE ARG 2 7.609 -5.016 18.102 19 1HH1 ARG 2 HH1 ARG 2 8.687 -4.030 20.926 20 2HH1 ARG 2 HH1 ARG 2 7.441 -4.692 21.932 21 1HH2 ARG 2 HH2 ARG 2 6.156 -6.742 19.448 22 2HH2 ARG 2 HH2 ARG 2 6.007 -6.223 21.094 23 H GLY 3 HN GLY 3 9.097 -3.392 14.676 24 1HA GLY 3 HA2 GLY 3 8.569 -4.338 11.884 25 2HA GLY 3 HA1 GLY 3 7.358 -3.516 12.869 26 H SER 4 HN SER 4 8.119 -2.550 10.329 27 HA SER 4 HA SER 4 8.929 0.174 11.040 28 1HB SER 4 HB2 SER 4 10.896 -0.044 9.347 29 2HB SER 4 HB1 SER 4 11.118 -0.706 10.963 30 HG SER 4 HG SER 4 11.519 -2.017 8.858 31 H ASP 5 HN ASP 5 8.994 1.549 8.978 32 HA ASP 5 HA ASP 5 6.892 0.585 7.109 33 1HB ASP 5 HB2 ASP 5 8.036 3.313 7.772 34 2HB ASP 5 HB1 ASP 5 6.741 3.040 6.607 35 H ILE 6 HN ILE 6 10.254 0.804 7.210 36 HA ILE 6 HA ILE 6 10.531 1.518 4.333 37 HB ILE 6 HB ILE 6 12.618 0.890 6.437 38 1HG1 ILE 6 HG1 ILE 6 11.683 3.639 5.567 39 2HG1 ILE 6 HG1 ILE 6 11.040 2.827 6.994 40 1HG2 ILE 6 HG2 ILE 6 13.225 2.788 4.279 41 2HG2 ILE 6 HG2 ILE 6 12.862 1.164 3.698 42 3HG2 ILE 6 HG2 ILE 6 14.163 1.413 4.862 43 1HD1 ILE 6 HD1 ILE 6 13.605 2.505 7.569 44 2HD1 ILE 6 HD1 ILE 6 12.784 4.019 7.951 45 3HD1 ILE 6 HD1 ILE 6 13.791 3.902 6.509 46 H SER 7 HN SER 7 9.300 -1.029 5.155 47 HA SER 7 HA SER 7 11.039 -3.254 5.070 48 1HB SER 7 HB2 SER 7 8.447 -2.941 5.365 49 2HB SER 7 HB1 SER 7 8.405 -3.171 3.619 50 HG SER 7 HG SER 7 9.771 -5.098 4.124 51 H LYS 8 HN LYS 8 9.660 -1.323 2.419 52 HA LYS 8 HA LYS 8 11.845 -1.839 0.623 53 1HB LYS 8 HB2 LYS 8 10.650 -3.388 -0.910 54 2HB LYS 8 HB1 LYS 8 10.869 -4.108 0.682 55 1HG LYS 8 HG2 LYS 8 8.548 -3.248 1.265 56 2HG LYS 8 HG1 LYS 8 8.355 -2.861 -0.445 57 1HD LYS 8 HD2 LYS 8 8.271 -5.073 -1.083 58 2HD LYS 8 HD1 LYS 8 9.309 -5.603 0.241 59 1HE LYS 8 HE2 LYS 8 7.316 -6.382 1.098 60 2HE LYS 8 HE1 LYS 8 7.148 -4.702 1.645 61 1HZ LYS 8 HZ1 LYS 8 6.156 -5.848 -0.912 62 2HZ LYS 8 HZ2 LYS 8 6.133 -4.191 -0.534 63 3HZ LYS 8 HZ3 LYS 8 5.211 -5.286 0.380 64 H THR 9 HN THR 9 10.633 -1.573 -1.830 65 HA THR 9 HA THR 9 8.805 0.786 -1.542 66 HB THR 9 HB THR 9 11.073 0.533 -3.534 67 HG1 THR 9 HG1 THR 9 11.057 1.936 -1.071 68 1HG2 THR 9 HG2 THR 9 9.854 2.266 -4.367 69 2HG2 THR 9 HG2 THR 9 10.638 3.181 -3.080 70 3HG2 THR 9 HG2 THR 9 9.013 2.538 -2.841 71 H CYS 10 HN CYS 10 10.168 -1.587 -3.859 72 HA CYS 10 HA CYS 10 7.983 -1.269 -5.757 73 1HB CYS 10 HB2 CYS 10 10.064 -3.454 -5.407 74 2HB CYS 10 HB1 CYS 10 9.137 -3.132 -6.869 75 H CYS 11 HN CYS 11 7.475 -4.023 -6.332 76 HA CYS 11 HA CYS 11 6.271 -5.154 -3.863 77 1HB CYS 11 HB2 CYS 11 4.879 -3.839 -6.136 78 2HB CYS 11 HB1 CYS 11 4.161 -5.343 -5.561 79 H PHE 12 HN PHE 12 5.195 -7.341 -4.464 80 HA PHE 12 HA PHE 12 6.458 -8.605 -6.843 81 1HB PHE 12 HB2 PHE 12 6.821 -9.233 -3.928 82 2HB PHE 12 HB1 PHE 12 6.917 -10.542 -5.105 83 HD1 PHE 12 HD1 PHE 12 8.559 -7.588 -3.747 84 HD2 PHE 12 HD2 PHE 12 8.604 -10.448 -6.952 85 HE1 PHE 12 HE1 PHE 12 10.872 -6.903 -4.326 86 HE2 PHE 12 HE2 PHE 12 10.917 -9.763 -7.530 87 HZ PHE 12 HZ PHE 12 12.050 -7.992 -6.217 88 H GLN 13 HN GLN 13 4.653 -9.803 -3.995 89 HA GLN 13 HA GLN 13 2.708 -11.068 -5.857 90 1HB GLN 13 HB2 GLN 13 2.177 -12.440 -3.865 91 2HB GLN 13 HB1 GLN 13 3.908 -12.461 -4.202 92 1HG GLN 13 HG2 GLN 13 4.392 -11.481 -2.229 93 2HG GLN 13 HG1 GLN 13 3.175 -10.229 -2.477 94 1HE2 GLN 13 HE2 GLN 13 3.789 -13.354 -0.980 95 2HE2 GLN 13 HE2 GLN 13 2.305 -13.467 -0.165 96 H TYR 14 HN TYR 14 0.399 -11.182 -4.633 97 HA TYR 14 HA TYR 14 -0.209 -8.539 -3.403 98 1HB TYR 14 HB2 TYR 14 -1.686 -9.793 -5.738 99 2HB TYR 14 HB1 TYR 14 -2.034 -8.228 -5.006 100 HD1 TYR 14 HD1 TYR 14 0.252 -6.724 -4.748 101 HD2 TYR 14 HD2 TYR 14 -0.513 -9.711 -7.739 102 HE1 TYR 14 HE1 TYR 14 1.921 -5.658 -6.240 103 HE2 TYR 14 HE2 TYR 14 1.155 -8.645 -9.231 104 HH TYR 14 HH TYR 14 2.760 -7.085 -9.389 105 H SER 15 HN SER 15 -2.187 -8.560 -2.153 106 HA SER 15 HA SER 15 -3.089 -11.304 -1.406 107 1HB SER 15 HB2 SER 15 -2.044 -9.202 0.072 108 2HB SER 15 HB1 SER 15 -3.778 -9.059 0.351 109 HG SER 15 HG SER 15 -2.003 -11.125 0.995 110 H HIS 16 HN HIS 16 -5.020 -11.757 -2.420 111 HA HIS 16 HA HIS 16 -6.904 -9.558 -3.061 112 1HB HIS 16 HB2 HIS 16 -6.595 -12.479 -3.751 113 2HB HIS 16 HB1 HIS 16 -8.075 -11.607 -4.151 114 HD1 HIS 16 HD1 HIS 16 -7.617 -9.264 -5.541 115 HD2 HIS 16 HD2 HIS 16 -4.602 -12.142 -5.640 116 HE1 HIS 16 HE1 HIS 16 -6.128 -8.674 -7.503 117 H LYS 17 HN LYS 17 -7.601 -9.111 -0.844 118 HA LYS 17 HA LYS 17 -9.950 -10.563 -0.029 119 1HB LYS 17 HB2 LYS 17 -8.978 -11.558 2.045 120 2HB LYS 17 HB1 LYS 17 -8.255 -12.239 0.588 121 1HG LYS 17 HG2 LYS 17 -6.461 -10.393 0.851 122 2HG LYS 17 HG1 LYS 17 -7.077 -10.222 2.495 123 1HD LYS 17 HD2 LYS 17 -6.224 -12.883 1.333 124 2HD LYS 17 HD1 LYS 17 -5.127 -11.834 2.234 125 1HE LYS 17 HE2 LYS 17 -6.846 -11.853 4.122 126 2HE LYS 17 HE1 LYS 17 -7.657 -13.164 3.243 127 1HZ LYS 17 HZ1 LYS 17 -5.894 -13.873 4.886 128 2HZ LYS 17 HZ2 LYS 17 -4.752 -13.194 3.827 129 3HZ LYS 17 HZ3 LYS 17 -5.729 -14.486 3.314 130 HA PRO 18 HA PRO 18 -10.295 -6.680 2.057 131 1HB PRO 18 HB2 PRO 18 -12.410 -7.236 3.699 132 2HB PRO 18 HB1 PRO 18 -12.588 -6.957 1.955 133 1HG PRO 18 HG2 PRO 18 -12.549 -9.515 3.469 134 2HG PRO 18 HG1 PRO 18 -13.522 -9.046 2.066 135 1HD PRO 18 HD2 PRO 18 -11.307 -10.643 1.914 136 2HD PRO 18 HD1 PRO 18 -11.887 -9.626 0.576 137 H LEU 19 HN LEU 19 -8.522 -6.409 3.420 138 HA LEU 19 HA LEU 19 -7.949 -8.108 5.695 139 1HB LEU 19 HB2 LEU 19 -6.661 -6.226 4.135 140 2HB LEU 19 HB1 LEU 19 -6.869 -5.369 5.662 141 HG LEU 19 HG LEU 19 -6.028 -8.109 6.119 142 1HD1 LEU 19 HD1 LEU 19 -4.576 -6.475 4.083 143 2HD1 LEU 19 HD1 LEU 19 -4.750 -8.226 4.199 144 3HD1 LEU 19 HD1 LEU 19 -3.611 -7.381 5.249 145 1HD2 LEU 19 HD2 LEU 19 -4.448 -7.031 7.568 146 2HD2 LEU 19 HD2 LEU 19 -5.920 -6.063 7.646 147 3HD2 LEU 19 HD2 LEU 19 -4.558 -5.518 6.668 148 HA PRO 20 HA PRO 20 -10.581 -6.197 8.682 149 1HB PRO 20 HB2 PRO 20 -9.125 -6.623 10.965 150 2HB PRO 20 HB1 PRO 20 -10.024 -7.911 10.138 151 1HG PRO 20 HG2 PRO 20 -7.115 -7.270 10.039 152 2HG PRO 20 HG1 PRO 20 -7.922 -8.846 10.104 153 1HD PRO 20 HD2 PRO 20 -6.913 -7.801 7.813 154 2HD PRO 20 HD1 PRO 20 -8.321 -8.885 7.843 155 H TRP 21 HN TRP 21 -10.612 -3.978 8.430 156 HA TRP 21 HA TRP 21 -8.557 -2.131 8.300 157 1HB TRP 21 HB2 TRP 21 -11.311 -1.974 9.547 158 2HB TRP 21 HB1 TRP 21 -10.321 -0.549 9.221 159 HD1 TRP 21 HD1 TRP 21 -12.594 -3.018 7.575 160 HE1 TRP 21 HE1 TRP 21 -12.747 -2.525 5.048 161 HE3 TRP 21 HE3 TRP 21 -8.815 0.384 7.113 162 HZ2 TRP 21 HZ2 TRP 21 -11.435 -0.904 3.092 163 HZ3 TRP 21 HZ3 TRP 21 -8.288 1.386 4.908 164 HH2 TRP 21 HH2 TRP 21 -9.592 0.748 2.899 165 H THR 22 HN THR 22 -9.737 -3.744 11.192 166 HA THR 22 HA THR 22 -8.732 -2.013 13.205 167 HB THR 22 HB THR 22 -8.503 -4.340 14.398 168 HG1 THR 22 HG1 THR 22 -8.344 -5.535 12.475 169 1HG2 THR 22 HG2 THR 22 -11.056 -4.550 14.349 170 2HG2 THR 22 HG2 THR 22 -11.037 -3.206 13.206 171 3HG2 THR 22 HG2 THR 22 -10.409 -2.985 14.840 172 H TRP 23 HN TRP 23 -7.122 -4.422 11.182 173 HA TRP 23 HA TRP 23 -4.525 -3.901 12.537 174 1HB TRP 23 HB2 TRP 23 -5.793 -6.046 10.912 175 2HB TRP 23 HB1 TRP 23 -4.058 -5.833 10.693 176 HD1 TRP 23 HD1 TRP 23 -5.128 -4.903 14.131 177 HE1 TRP 23 HE1 TRP 23 -4.504 -6.771 15.793 178 HE3 TRP 23 HE3 TRP 23 -3.917 -8.632 10.855 179 HZ2 TRP 23 HZ2 TRP 23 -3.612 -9.486 15.742 180 HZ3 TRP 23 HZ3 TRP 23 -3.185 -10.847 11.690 181 HH2 TRP 23 HH2 TRP 23 -3.032 -11.280 14.127 182 H VAL 24 HN VAL 24 -6.262 -2.577 10.018 183 HA VAL 24 HA VAL 24 -3.960 -2.296 8.182 184 HB VAL 24 HB VAL 24 -6.796 -1.237 8.019 185 1HG1 VAL 24 HG1 VAL 24 -5.029 -1.863 5.677 186 2HG1 VAL 24 HG1 VAL 24 -4.768 -0.356 6.556 187 3HG1 VAL 24 HG1 VAL 24 -6.332 -0.682 5.809 188 1HG2 VAL 24 HG2 VAL 24 -6.712 -3.297 6.266 189 2HG2 VAL 24 HG2 VAL 24 -7.235 -3.494 7.938 190 3HG2 VAL 24 HG2 VAL 24 -5.584 -3.904 7.479 191 H ARG 25 HN ARG 25 -2.779 -0.385 8.028 192 HA ARG 25 HA ARG 25 -3.595 1.835 9.873 193 1HB ARG 25 HB2 ARG 25 -1.460 0.435 10.205 194 2HB ARG 25 HB1 ARG 25 -0.839 1.257 8.774 195 1HG ARG 25 HG2 ARG 25 -1.986 3.229 10.499 196 2HG ARG 25 HG1 ARG 25 -0.908 2.218 11.461 197 1HD ARG 25 HD2 ARG 25 0.819 2.529 9.578 198 2HD ARG 25 HD1 ARG 25 -0.234 3.829 8.988 199 HE ARG 25 HE ARG 25 0.710 3.807 11.827 200 1HH1 ARG 25 HH1 ARG 25 2.540 5.040 9.736 201 2HH1 ARG 25 HH1 ARG 25 2.076 6.707 9.819 202 1HH2 ARG 25 HH2 ARG 25 -0.876 6.073 11.524 203 2HH2 ARG 25 HH2 ARG 25 0.141 7.291 10.830 204 H SER 26 HN SER 26 -2.068 1.199 6.686 205 HA SER 26 HA SER 26 -3.449 3.418 5.437 206 1HB SER 26 HB2 SER 26 -1.518 4.917 5.235 207 2HB SER 26 HB1 SER 26 -1.824 4.583 6.936 208 HG SER 26 HG SER 26 -0.083 3.294 7.007 209 H TYR 27 HN TYR 27 -1.300 3.989 3.545 210 HA TYR 27 HA TYR 27 -0.603 1.344 2.406 211 1HB TYR 27 HB2 TYR 27 -1.893 1.712 0.409 212 2HB TYR 27 HB1 TYR 27 -2.963 2.070 1.759 213 HD1 TYR 27 HD1 TYR 27 -1.402 3.345 -1.212 214 HD2 TYR 27 HD2 TYR 27 -3.232 4.497 2.496 215 HE1 TYR 27 HE1 TYR 27 -1.747 5.631 -2.096 216 HE2 TYR 27 HE2 TYR 27 -3.581 6.784 1.615 217 HH TYR 27 HH TYR 27 -3.249 7.558 -1.675 218 H GLU 28 HN GLU 28 0.231 2.129 -0.085 219 HA GLU 28 HA GLU 28 1.660 4.608 -0.234 220 1HB GLU 28 HB2 GLU 28 3.954 3.645 0.190 221 2HB GLU 28 HB1 GLU 28 2.937 3.722 1.626 222 1HG GLU 28 HG2 GLU 28 2.267 1.258 0.776 223 2HG GLU 28 HG1 GLU 28 3.894 1.350 0.104 224 H PHE 29 HN PHE 29 1.995 4.870 -2.385 225 HA PHE 29 HA PHE 29 1.710 2.626 -4.243 226 1HB PHE 29 HB2 PHE 29 1.458 5.461 -4.189 227 2HB PHE 29 HB1 PHE 29 2.651 5.076 -5.428 228 HD1 PHE 29 HD1 PHE 29 -0.722 5.631 -4.961 229 HD2 PHE 29 HD2 PHE 29 1.924 2.789 -6.797 230 HE1 PHE 29 HE1 PHE 29 -2.540 4.931 -6.495 231 HE2 PHE 29 HE2 PHE 29 0.106 2.088 -8.330 232 HZ PHE 29 HZ PHE 29 -2.126 3.160 -8.180 233 H THR 30 HN THR 30 3.360 1.917 -5.720 234 HA THR 30 HA THR 30 6.047 1.834 -4.625 235 HB THR 30 HB THR 30 6.403 0.681 -6.920 236 HG1 THR 30 HG1 THR 30 4.836 0.983 -8.257 237 1HG2 THR 30 HG2 THR 30 4.427 -0.187 -4.817 238 2HG2 THR 30 HG2 THR 30 6.080 -0.745 -5.073 239 3HG2 THR 30 HG2 THR 30 4.804 -1.229 -6.190 240 H SER 31 HN SER 31 7.977 2.532 -5.953 241 HA SER 31 HA SER 31 7.636 5.302 -6.852 242 1HB SER 31 HB2 SER 31 10.081 5.238 -6.893 243 2HB SER 31 HB1 SER 31 9.507 4.452 -5.426 244 HG SER 31 HG SER 31 10.663 2.838 -6.123 245 H ASN 32 HN ASN 32 9.254 5.727 -8.908 246 HA ASN 32 HA ASN 32 7.936 4.376 -11.168 247 1HB ASN 32 HB2 ASN 32 8.427 6.858 -10.935 248 2HB ASN 32 HB1 ASN 32 10.134 6.463 -11.142 249 1HD2 ASN 32 HD2 ASN 32 7.000 5.705 -12.785 250 2HD2 ASN 32 HD2 ASN 32 7.626 5.852 -14.356 251 H SER 33 HN SER 33 10.865 4.016 -9.370 252 HA SER 33 HA SER 33 12.312 2.710 -11.590 253 1HB SER 33 HB2 SER 33 12.862 3.786 -8.882 254 2HB SER 33 HB1 SER 33 13.856 2.418 -9.377 255 HG SER 33 HG SER 33 13.499 4.908 -10.688 256 H CYS 34 HN CYS 34 9.798 1.533 -10.358 257 HA CYS 34 HA CYS 34 10.956 -0.994 -9.239 258 1HB CYS 34 HB2 CYS 34 8.336 0.479 -8.955 259 2HB CYS 34 HB1 CYS 34 8.461 -1.227 -8.524 260 H SER 35 HN SER 35 10.948 -2.694 -10.658 261 HA SER 35 HA SER 35 9.804 -2.622 -13.267 262 1HB SER 35 HB2 SER 35 11.336 -4.361 -11.580 263 2HB SER 35 HB1 SER 35 10.054 -5.309 -12.328 264 HG SER 35 HG SER 35 12.023 -3.694 -13.574 265 H GLN 36 HN GLN 36 8.577 -3.964 -10.207 266 HA GLN 36 HA GLN 36 6.043 -4.756 -11.566 267 1HB GLN 36 HB2 GLN 36 7.265 -6.375 -10.145 268 2HB GLN 36 HB1 GLN 36 7.136 -5.266 -8.779 269 1HG GLN 36 HG2 GLN 36 5.193 -6.313 -8.292 270 2HG GLN 36 HG1 GLN 36 4.518 -5.471 -9.688 271 1HE2 GLN 36 HE2 GLN 36 4.911 -8.543 -8.394 272 2HE2 GLN 36 HE2 GLN 36 4.792 -9.450 -9.823 273 H ARG 37 HN ARG 37 5.696 -2.249 -11.700 274 HA ARG 37 HA ARG 37 5.238 -0.572 -9.493 275 1HB ARG 37 HB2 ARG 37 3.996 -0.878 -12.226 276 2HB ARG 37 HB1 ARG 37 3.467 0.403 -11.135 277 1HG ARG 37 HG2 ARG 37 6.203 0.612 -10.966 278 2HG ARG 37 HG1 ARG 37 5.975 0.154 -12.655 279 1HD ARG 37 HD2 ARG 37 4.189 1.997 -12.765 280 2HD ARG 37 HD1 ARG 37 4.837 2.560 -11.211 281 HE ARG 37 HE ARG 37 7.009 2.900 -12.306 282 1HH1 ARG 37 HH1 ARG 37 4.734 4.198 -14.022 283 2HH1 ARG 37 HH1 ARG 37 5.316 3.819 -15.609 284 1HH2 ARG 37 HH2 ARG 37 7.613 1.474 -14.496 285 2HH2 ARG 37 HH2 ARG 37 6.945 2.278 -15.878 286 H ALA 38 HN ALA 38 3.687 -0.559 -7.885 287 HA ALA 38 HA ALA 38 1.005 -1.605 -8.272 288 1HB ALA 38 HB1 ALA 38 3.206 -3.304 -7.279 289 2HB ALA 38 HB2 ALA 38 1.665 -3.772 -7.998 290 3HB ALA 38 HB3 ALA 38 1.747 -3.347 -6.289 291 H VAL 39 HN VAL 39 -0.162 -1.659 -6.061 292 HA VAL 39 HA VAL 39 0.793 0.654 -4.448 293 HB VAL 39 HB VAL 39 -1.836 -0.844 -4.692 294 1HG1 VAL 39 HG1 VAL 39 -1.637 -0.014 -2.413 295 2HG1 VAL 39 HG1 VAL 39 -2.746 1.032 -3.297 296 3HG1 VAL 39 HG1 VAL 39 -1.090 1.559 -2.996 297 1HG2 VAL 39 HG2 VAL 39 -0.971 1.946 -5.519 298 2HG2 VAL 39 HG2 VAL 39 -2.591 1.277 -5.717 299 3HG2 VAL 39 HG2 VAL 39 -1.235 0.587 -6.610 300 H ILE 40 HN ILE 40 0.382 0.423 -2.010 301 HA ILE 40 HA ILE 40 0.735 -2.377 -1.040 302 HB ILE 40 HB ILE 40 2.525 0.027 -0.691 303 1HG1 ILE 40 HG1 ILE 40 3.434 -2.783 -1.145 304 2HG1 ILE 40 HG1 ILE 40 2.726 -1.891 -2.494 305 1HG2 ILE 40 HG2 ILE 40 3.785 -1.490 0.961 306 2HG2 ILE 40 HG2 ILE 40 2.282 -2.406 1.077 307 3HG2 ILE 40 HG2 ILE 40 2.319 -0.709 1.556 308 1HD1 ILE 40 HD1 ILE 40 4.341 -0.008 -1.956 309 2HD1 ILE 40 HD1 ILE 40 5.097 -1.481 -2.561 310 3HD1 ILE 40 HD1 ILE 40 5.140 -1.112 -0.836 311 H PHE 41 HN PHE 41 -0.310 -2.719 0.907 312 HA PHE 41 HA PHE 41 -1.577 -0.355 2.251 313 1HB PHE 41 HB2 PHE 41 -2.427 -3.270 1.987 314 2HB PHE 41 HB1 PHE 41 -3.317 -2.047 2.893 315 HD1 PHE 41 HD1 PHE 41 -3.427 0.287 1.363 316 HD2 PHE 41 HD2 PHE 41 -3.422 -3.757 -0.066 317 HE1 PHE 41 HE1 PHE 41 -4.562 1.026 -0.713 318 HE2 PHE 41 HE2 PHE 41 -4.561 -3.023 -2.145 319 HZ PHE 41 HZ PHE 41 -5.131 -0.630 -2.466 320 H THR 42 HN THR 42 -0.514 -0.001 4.209 321 HA THR 42 HA THR 42 0.977 -2.245 5.423 322 HB THR 42 HB THR 42 2.001 -0.012 5.092 323 HG1 THR 42 HG1 THR 42 2.897 0.061 7.096 324 1HG2 THR 42 HG2 THR 42 0.101 1.428 5.324 325 2HG2 THR 42 HG2 THR 42 1.198 1.817 6.647 326 3HG2 THR 42 HG2 THR 42 -0.226 0.824 6.947 327 H THR 43 HN THR 43 0.695 -2.815 7.678 328 HA THR 43 HA THR 43 -2.119 -2.437 8.587 329 HB THR 43 HB THR 43 -1.385 -4.467 10.030 330 HG1 THR 43 HG1 THR 43 0.398 -5.557 9.094 331 1HG2 THR 43 HG2 THR 43 -2.870 -4.917 8.266 332 2HG2 THR 43 HG2 THR 43 -1.490 -5.951 7.901 333 3HG2 THR 43 HG2 THR 43 -1.702 -4.427 7.038 334 H LYS 44 HN LYS 44 -2.209 -2.693 11.136 335 HA LYS 44 HA LYS 44 -0.874 -0.378 12.261 336 1HB LYS 44 HB2 LYS 44 -3.149 -1.883 12.721 337 2HB LYS 44 HB1 LYS 44 -2.127 -2.292 14.099 338 1HG LYS 44 HG2 LYS 44 -1.938 -0.019 14.770 339 2HG LYS 44 HG1 LYS 44 -2.564 0.567 13.229 340 1HD LYS 44 HD2 LYS 44 -4.296 -1.244 14.863 341 2HD LYS 44 HD1 LYS 44 -4.133 0.438 15.367 342 1HE LYS 44 HE2 LYS 44 -4.749 -0.221 12.487 343 2HE LYS 44 HE1 LYS 44 -6.047 -0.142 13.695 344 1HZ LYS 44 HZ1 LYS 44 -5.537 2.050 14.224 345 2HZ LYS 44 HZ2 LYS 44 -5.382 2.023 12.532 346 3HZ LYS 44 HZ3 LYS 44 -3.997 1.977 13.517 347 H ARG 45 HN ARG 45 -0.157 -3.779 12.103 348 HA ARG 45 HA ARG 45 1.619 -3.827 14.430 349 1HB ARG 45 HB2 ARG 45 0.239 -5.712 13.294 350 2HB ARG 45 HB1 ARG 45 1.556 -5.773 12.123 351 1HG ARG 45 HG2 ARG 45 2.566 -7.180 13.581 352 2HG ARG 45 HG1 ARG 45 2.899 -5.735 14.537 353 1HD ARG 45 HD2 ARG 45 0.277 -7.218 14.817 354 2HD ARG 45 HD1 ARG 45 1.707 -7.674 15.763 355 HE ARG 45 HE ARG 45 0.272 -5.082 15.950 356 1HH1 ARG 45 HH1 ARG 45 0.728 -6.712 18.373 357 2HH1 ARG 45 HH1 ARG 45 2.127 -5.973 19.076 358 1HH2 ARG 45 HH2 ARG 45 3.026 -4.297 16.175 359 2HH2 ARG 45 HH2 ARG 45 3.433 -4.610 17.830 360 H GLY 46 HN GLY 46 1.901 -3.047 11.040 361 1HA GLY 46 HA2 GLY 46 3.925 -1.663 10.479 362 2HA GLY 46 HA1 GLY 46 4.867 -2.848 11.383 363 H LYS 47 HN LYS 47 2.507 -4.573 9.798 364 HA LYS 47 HA LYS 47 4.415 -5.609 7.843 365 1HB LYS 47 HB2 LYS 47 2.235 -6.536 9.273 366 2HB LYS 47 HB1 LYS 47 1.583 -6.381 7.641 367 1HG LYS 47 HG2 LYS 47 2.483 -8.534 7.577 368 2HG LYS 47 HG1 LYS 47 3.818 -7.574 6.937 369 1HD LYS 47 HD2 LYS 47 4.866 -7.503 9.148 370 2HD LYS 47 HD1 LYS 47 3.507 -8.388 9.842 371 1HE LYS 47 HE2 LYS 47 4.477 -9.858 7.569 372 2HE LYS 47 HE1 LYS 47 5.841 -9.490 8.644 373 1HZ LYS 47 HZ1 LYS 47 4.415 -10.190 10.525 374 2HZ LYS 47 HZ2 LYS 47 4.767 -11.456 9.450 375 3HZ LYS 47 HZ3 LYS 47 3.243 -10.707 9.414 376 H LYS 48 HN LYS 48 4.058 -5.559 5.519 377 HA LYS 48 HA LYS 48 2.201 -3.392 4.603 378 1HB LYS 48 HB2 LYS 48 5.066 -3.612 4.519 379 2HB LYS 48 HB1 LYS 48 4.438 -3.590 2.872 380 1HG LYS 48 HG2 LYS 48 4.106 -1.374 3.033 381 2HG LYS 48 HG1 LYS 48 2.989 -1.643 4.372 382 1HD LYS 48 HD2 LYS 48 4.707 -0.208 5.219 383 2HD LYS 48 HD1 LYS 48 5.037 -1.810 5.881 384 1HE LYS 48 HE2 LYS 48 7.149 -1.014 5.070 385 2HE LYS 48 HE1 LYS 48 6.575 -2.137 3.821 386 1HZ LYS 48 HZ1 LYS 48 7.298 0.189 3.077 387 2HZ LYS 48 HZ2 LYS 48 5.839 0.723 3.762 388 3HZ LYS 48 HZ3 LYS 48 5.821 -0.404 2.490 389 H VAL 49 HN VAL 49 0.669 -4.322 3.331 390 HA VAL 49 HA VAL 49 1.308 -6.828 1.851 391 HB VAL 49 HB VAL 49 -1.279 -5.311 2.326 392 1HG1 VAL 49 HG1 VAL 49 -1.436 -6.743 0.364 393 2HG1 VAL 49 HG1 VAL 49 -2.313 -7.503 1.693 394 3HG1 VAL 49 HG1 VAL 49 -0.710 -8.087 1.245 395 1HG2 VAL 49 HG2 VAL 49 0.333 -6.997 4.028 396 2HG2 VAL 49 HG2 VAL 49 -1.208 -7.787 3.699 397 3HG2 VAL 49 HG2 VAL 49 -1.180 -6.172 4.407 398 H CYS 50 HN CYS 50 1.948 -6.615 -0.263 399 HA CYS 50 HA CYS 50 1.691 -4.124 -1.743 400 1HB CYS 50 HB2 CYS 50 2.736 -6.893 -2.121 401 2HB CYS 50 HB1 CYS 50 2.356 -5.994 -3.589 402 H THR 51 HN THR 51 0.464 -3.947 -3.805 403 HA THR 51 HA THR 51 -1.679 -5.893 -4.337 404 HB THR 51 HB THR 51 -3.335 -3.859 -4.018 405 HG1 THR 51 HG1 THR 51 -2.501 -2.228 -3.019 406 1HG2 THR 51 HG2 THR 51 -2.853 -6.100 -2.615 407 2HG2 THR 51 HG2 THR 51 -4.011 -4.883 -2.079 408 3HG2 THR 51 HG2 THR 51 -2.381 -4.909 -1.403 409 H HIS 52 HN HIS 52 -3.106 -4.976 -6.198 410 HA HIS 52 HA HIS 52 -1.342 -3.474 -8.072 411 1HB HIS 52 HB2 HIS 52 -3.145 -5.781 -8.202 412 2HB HIS 52 HB1 HIS 52 -3.412 -4.630 -9.511 413 HD1 HIS 52 HD1 HIS 52 -2.183 -7.357 -10.181 414 HD2 HIS 52 HD2 HIS 52 0.100 -3.989 -9.271 415 HE1 HIS 52 HE1 HIS 52 0.104 -7.744 -11.198 416 HA PRO 53 HA PRO 53 -4.311 -0.172 -7.733 417 1HB PRO 53 HB2 PRO 53 -3.474 1.312 -9.880 418 2HB PRO 53 HB1 PRO 53 -2.613 1.280 -8.327 419 1HG PRO 53 HG2 PRO 53 -2.015 -0.184 -10.852 420 2HG PRO 53 HG1 PRO 53 -0.908 0.594 -9.710 421 1HD PRO 53 HD2 PRO 53 -1.319 -2.088 -9.772 422 2HD PRO 53 HD1 PRO 53 -0.896 -1.207 -8.287 423 H ARG 54 HN ARG 54 -3.956 -2.319 -10.414 424 HA ARG 54 HA ARG 54 -6.058 -1.276 -12.112 425 1HB ARG 54 HB2 ARG 54 -4.061 -3.019 -12.421 426 2HB ARG 54 HB1 ARG 54 -5.318 -4.176 -11.981 427 1HG ARG 54 HG2 ARG 54 -6.696 -3.530 -13.820 428 2HG ARG 54 HG1 ARG 54 -5.717 -2.097 -14.139 429 1HD ARG 54 HD2 ARG 54 -4.121 -3.286 -15.281 430 2HD ARG 54 HD1 ARG 54 -4.262 -4.691 -14.207 431 HE ARG 54 HE ARG 54 -6.708 -4.605 -15.512 432 1HH1 ARG 54 HH1 ARG 54 -4.378 -6.634 -15.878 433 2HH1 ARG 54 HH1 ARG 54 -4.237 -6.622 -17.604 434 1HH2 ARG 54 HH2 ARG 54 -6.109 -3.731 -18.002 435 2HH2 ARG 54 HH2 ARG 54 -5.214 -4.977 -18.806 436 H LYS 55 HN LYS 55 -5.971 -3.294 -9.257 437 HA LYS 55 HA LYS 55 -8.619 -4.458 -9.592 438 1HB LYS 55 HB2 LYS 55 -6.482 -4.270 -7.499 439 2HB LYS 55 HB1 LYS 55 -8.091 -4.803 -7.007 440 1HG LYS 55 HG2 LYS 55 -7.145 -6.838 -7.590 441 2HG LYS 55 HG1 LYS 55 -7.862 -6.370 -9.133 442 1HD LYS 55 HD2 LYS 55 -5.336 -5.125 -9.070 443 2HD LYS 55 HD1 LYS 55 -5.072 -6.765 -8.473 444 1HE LYS 55 HE2 LYS 55 -6.585 -6.111 -11.026 445 2HE LYS 55 HE1 LYS 55 -4.889 -6.628 -10.968 446 1HZ LYS 55 HZ1 LYS 55 -5.565 -8.605 -9.756 447 2HZ LYS 55 HZ2 LYS 55 -6.370 -8.529 -11.251 448 3HZ LYS 55 HZ3 LYS 55 -7.189 -8.121 -9.819 449 H LYS 56 HN LYS 56 -10.515 -3.374 -9.237 450 HA LYS 56 HA LYS 56 -10.747 -0.679 -8.430 451 1HB LYS 56 HB2 LYS 56 -12.646 -3.039 -8.276 452 2HB LYS 56 HB1 LYS 56 -13.154 -1.367 -8.036 453 1HG LYS 56 HG2 LYS 56 -12.810 -0.796 -10.254 454 2HG LYS 56 HG1 LYS 56 -11.574 -2.033 -10.490 455 1HD LYS 56 HD2 LYS 56 -13.542 -2.747 -11.687 456 2HD LYS 56 HD1 LYS 56 -13.394 -3.769 -10.257 457 1HE LYS 56 HE2 LYS 56 -15.317 -2.950 -9.332 458 2HE LYS 56 HE1 LYS 56 -14.959 -1.288 -9.843 459 1HZ LYS 56 HZ1 LYS 56 -16.846 -2.454 -11.048 460 2HZ LYS 56 HZ2 LYS 56 -15.652 -3.413 -11.784 461 3HZ LYS 56 HZ3 LYS 56 -15.659 -1.731 -12.020 462 H TRP 57 HN TRP 57 -11.055 -3.647 -6.443 463 HA TRP 57 HA TRP 57 -11.791 -2.398 -4.008 464 1HB TRP 57 HB2 TRP 57 -11.474 -4.527 -3.150 465 2HB TRP 57 HB1 TRP 57 -11.483 -4.920 -4.864 466 HD1 TRP 57 HD1 TRP 57 -9.344 -5.967 -5.860 467 HE1 TRP 57 HE1 TRP 57 -7.014 -6.553 -4.924 468 HE3 TRP 57 HE3 TRP 57 -9.614 -3.656 -1.315 469 HZ2 TRP 57 HZ2 TRP 57 -5.470 -6.098 -2.557 470 HZ3 TRP 57 HZ3 TRP 57 -7.703 -3.748 0.260 471 HH2 TRP 57 HH2 TRP 57 -5.633 -4.965 -0.355 472 H VAL 58 HN VAL 58 -8.581 -2.885 -5.456 473 HA VAL 58 HA VAL 58 -7.001 -2.027 -3.229 474 HB VAL 58 HB VAL 58 -6.579 -1.846 -6.228 475 1HG1 VAL 58 HG1 VAL 58 -4.583 -1.743 -3.945 476 2HG1 VAL 58 HG1 VAL 58 -5.025 -0.386 -4.982 477 3HG1 VAL 58 HG1 VAL 58 -4.173 -1.773 -5.659 478 1HG2 VAL 58 HG2 VAL 58 -6.986 -4.129 -5.513 479 2HG2 VAL 58 HG2 VAL 58 -5.879 -3.943 -4.152 480 3HG2 VAL 58 HG2 VAL 58 -5.255 -3.951 -5.801 481 H GLN 59 HN GLN 59 -8.175 -0.194 -6.085 482 HA GLN 59 HA GLN 59 -7.187 2.355 -5.287 483 1HB GLN 59 HB2 GLN 59 -9.526 1.388 -6.950 484 2HB GLN 59 HB1 GLN 59 -9.151 3.104 -6.786 485 1HG GLN 59 HG2 GLN 59 -6.816 1.429 -7.428 486 2HG GLN 59 HG1 GLN 59 -8.055 1.441 -8.684 487 1HE2 GLN 59 HE2 GLN 59 -7.033 4.052 -6.417 488 2HE2 GLN 59 HE2 GLN 59 -6.646 5.164 -7.640 489 H LYS 60 HN LYS 60 -9.909 0.440 -4.229 490 HA LYS 60 HA LYS 60 -11.357 2.600 -2.938 491 1HB LYS 60 HB2 LYS 60 -11.984 0.130 -3.765 492 2HB LYS 60 HB1 LYS 60 -11.575 -0.261 -2.094 493 1HG LYS 60 HG2 LYS 60 -13.918 0.224 -2.102 494 2HG LYS 60 HG1 LYS 60 -13.129 1.637 -1.401 495 1HD LYS 60 HD2 LYS 60 -13.778 2.975 -3.106 496 2HD LYS 60 HD1 LYS 60 -13.325 1.780 -4.321 497 1HE LYS 60 HE2 LYS 60 -15.421 0.581 -4.010 498 2HE LYS 60 HE1 LYS 60 -15.864 1.639 -2.655 499 1HZ LYS 60 HZ1 LYS 60 -16.812 2.323 -4.851 500 2HZ LYS 60 HZ2 LYS 60 -15.228 2.641 -5.376 501 3HZ LYS 60 HZ3 LYS 60 -15.890 3.520 -4.081 502 H TYR 61 HN TYR 61 -8.867 0.261 -1.994 503 HA TYR 61 HA TYR 61 -9.011 0.888 0.853 504 1HB TYR 61 HB2 TYR 61 -7.510 -0.827 -1.009 505 2HB TYR 61 HB1 TYR 61 -6.542 -0.244 0.345 506 HD1 TYR 61 HD1 TYR 61 -10.082 -1.409 -0.152 507 HD2 TYR 61 HD2 TYR 61 -6.471 -1.692 2.157 508 HE1 TYR 61 HE1 TYR 61 -11.165 -3.069 1.339 509 HE2 TYR 61 HE2 TYR 61 -7.554 -3.352 3.647 510 HH TYR 61 HH TYR 61 -10.507 -3.764 4.101 511 H ILE 62 HN ILE 62 -7.070 1.975 -1.904 512 HA ILE 62 HA ILE 62 -5.140 3.499 -0.419 513 HB ILE 62 HB ILE 62 -6.310 3.868 -3.201 514 1HG1 ILE 62 HG1 ILE 62 -3.803 2.410 -2.305 515 2HG1 ILE 62 HG1 ILE 62 -5.323 1.613 -2.714 516 1HG2 ILE 62 HG2 ILE 62 -4.913 5.617 -3.432 517 2HG2 ILE 62 HG2 ILE 62 -3.546 4.620 -2.932 518 3HG2 ILE 62 HG2 ILE 62 -4.497 5.482 -1.723 519 1HD1 ILE 62 HD1 ILE 62 -3.261 2.666 -4.485 520 2HD1 ILE 62 HD1 ILE 62 -4.851 3.329 -4.868 521 3HD1 ILE 62 HD1 ILE 62 -4.603 1.583 -4.853 522 H SER 63 HN SER 63 -8.242 4.395 -1.950 523 HA SER 63 HA SER 63 -8.206 7.148 -1.102 524 1HB SER 63 HB2 SER 63 -10.509 7.094 -1.875 525 2HB SER 63 HB1 SER 63 -9.557 6.076 -2.952 526 HG SER 63 HG SER 63 -11.483 5.401 -1.061 527 H LEU 64 HN LEU 64 -9.416 4.145 0.350 528 HA LEU 64 HA LEU 64 -10.783 5.462 2.560 529 1HB LEU 64 HB2 LEU 64 -10.118 2.727 1.617 530 2HB LEU 64 HB1 LEU 64 -10.340 2.893 3.359 531 HG LEU 64 HG LEU 64 -12.362 4.293 1.725 532 1HD1 LEU 64 HD1 LEU 64 -12.803 2.558 0.346 533 2HD1 LEU 64 HD1 LEU 64 -13.356 1.687 1.776 534 3HD1 LEU 64 HD1 LEU 64 -11.694 1.497 1.215 535 1HD2 LEU 64 HD2 LEU 64 -13.476 2.438 3.550 536 2HD2 LEU 64 HD2 LEU 64 -13.302 4.179 3.772 537 3HD2 LEU 64 HD2 LEU 64 -12.034 3.088 4.331 538 H LEU 65 HN LEU 65 -7.604 3.903 2.108 539 HA LEU 65 HA LEU 65 -6.801 4.356 4.884 540 1HB LEU 65 HB2 LEU 65 -5.534 3.344 2.342 541 2HB LEU 65 HB1 LEU 65 -4.529 3.677 3.750 542 HG LEU 65 HG LEU 65 -6.874 1.754 3.618 543 1HD1 LEU 65 HD1 LEU 65 -5.249 0.320 2.964 544 2HD1 LEU 65 HD1 LEU 65 -4.578 0.483 4.587 545 3HD1 LEU 65 HD1 LEU 65 -3.986 1.508 3.282 546 1HD2 LEU 65 HD2 LEU 65 -7.000 2.593 5.805 547 2HD2 LEU 65 HD2 LEU 65 -5.259 2.853 5.908 548 3HD2 LEU 65 HD2 LEU 65 -5.913 1.220 5.996 549 H LYS 66 HN LYS 66 -7.585 6.829 4.060 550 HA LYS 66 HA LYS 66 -5.374 8.355 2.892 551 1HB LYS 66 HB2 LYS 66 -7.969 8.691 2.789 552 2HB LYS 66 HB1 LYS 66 -7.759 9.471 4.357 553 1HG LYS 66 HG2 LYS 66 -6.114 11.021 3.379 554 2HG LYS 66 HG1 LYS 66 -6.304 10.238 1.809 555 1HD LYS 66 HD2 LYS 66 -7.755 12.075 1.642 556 2HD LYS 66 HD1 LYS 66 -8.839 10.769 2.120 557 1HE LYS 66 HE2 LYS 66 -8.955 11.527 4.365 558 2HE LYS 66 HE1 LYS 66 -7.514 12.547 4.180 559 1HZ LYS 66 HZ1 LYS 66 -8.700 13.854 2.523 560 2HZ LYS 66 HZ2 LYS 66 -9.527 13.876 4.006 561 3HZ LYS 66 HZ3 LYS 66 -10.086 12.901 2.733 562 H THR 67 HN THR 67 -3.615 8.110 4.384 563 HA THR 67 HA THR 67 -4.010 9.525 6.981 564 HB THR 67 HB THR 67 -2.227 7.129 6.699 565 HG1 THR 67 HG1 THR 67 -4.044 5.867 7.322 566 1HG2 THR 67 HG2 THR 67 -2.400 7.013 9.024 567 2HG2 THR 67 HG2 THR 67 -3.948 7.859 9.049 568 3HG2 THR 67 HG2 THR 67 -2.459 8.754 8.744 569 HA PRO 68 HA PRO 68 -0.180 10.739 4.485 570 1HB PRO 68 HB2 PRO 68 -0.906 13.321 3.929 571 2HB PRO 68 HB1 PRO 68 -1.273 11.959 2.850 572 1HG PRO 68 HG2 PRO 68 -3.032 13.333 4.824 573 2HG PRO 68 HG1 PRO 68 -3.408 12.742 3.197 574 1HD PRO 68 HD2 PRO 68 -4.107 11.406 5.450 575 2HD PRO 68 HD1 PRO 68 -3.744 10.589 3.912 576 H LYS 69 HN LYS 69 1.406 11.279 5.935 577 HA LYS 69 HA LYS 69 0.836 12.464 8.506 578 1HB LYS 69 HB2 LYS 69 3.356 11.881 6.927 579 2HB LYS 69 HB1 LYS 69 3.380 12.464 8.591 580 1HG LYS 69 HG2 LYS 69 3.378 10.212 9.041 581 2HG LYS 69 HG1 LYS 69 1.636 10.437 8.885 582 1HD LYS 69 HD2 LYS 69 1.535 9.265 6.943 583 2HD LYS 69 HD1 LYS 69 3.023 9.983 6.326 584 1HE LYS 69 HE2 LYS 69 4.377 8.467 7.678 585 2HE LYS 69 HE1 LYS 69 2.919 7.803 8.442 586 1HZ LYS 69 HZ1 LYS 69 3.359 7.832 5.508 587 2HZ LYS 69 HZ2 LYS 69 2.134 7.020 6.361 588 3HZ LYS 69 HZ3 LYS 69 3.748 6.504 6.488 589 H GLN 70 HN GLN 70 1.552 14.544 9.280 590 HA GLN 70 HA GLN 70 1.975 16.588 7.121 591 1HB GLN 70 HB2 GLN 70 0.662 18.084 8.623 592 2HB GLN 70 HB1 GLN 70 -0.262 16.662 8.142 593 1HG GLN 70 HG2 GLN 70 -0.063 15.656 10.245 594 2HG GLN 70 HG1 GLN 70 1.367 16.597 10.668 595 1HE2 GLN 70 HE2 GLN 70 -0.202 16.902 12.685 596 2HE2 GLN 70 HE2 GLN 70 -1.209 18.267 12.621 597 H LEU 71 HN LEU 71 2.596 18.756 8.686 598 HA LEU 71 HA LEU 71 4.944 17.870 10.329 599 1HB LEU 71 HB2 LEU 71 4.970 19.041 7.803 600 2HB LEU 71 HB1 LEU 71 5.254 20.402 8.888 601 HG LEU 71 HG LEU 71 6.775 18.018 9.650 602 1HD1 LEU 71 HD1 LEU 71 8.305 18.982 7.508 603 2HD1 LEU 71 HD1 LEU 71 6.684 18.776 6.844 604 3HD1 LEU 71 HD1 LEU 71 7.506 17.413 7.604 605 1HD2 LEU 71 HD2 LEU 71 8.034 20.586 8.805 606 2HD2 LEU 71 HD2 LEU 71 8.337 19.605 10.239 607 3HD2 LEU 71 HD2 LEU 71 6.922 20.655 10.171 Start of MODEL 5 1 1H THR 1 HT1 THR 1 22.765 -7.435 10.632 2 2H THR 1 HT2 THR 1 23.274 -6.702 9.187 3 3H THR 1 HT3 THR 1 23.759 -8.290 9.555 4 HA THR 1 HA THR 1 22.054 -8.618 8.015 5 HB THR 1 HB THR 1 20.850 -8.638 10.803 6 HG1 THR 1 HG1 THR 1 21.758 -10.739 10.854 7 1HG2 THR 1 HG2 THR 1 20.216 -10.862 9.047 8 2HG2 THR 1 HG2 THR 1 19.729 -9.326 8.330 9 3HG2 THR 1 HG2 THR 1 19.126 -9.786 9.921 10 H ARG 2 HN ARG 2 21.279 -6.052 10.337 11 HA ARG 2 HA ARG 2 19.769 -4.239 10.180 12 1HB ARG 2 HB2 ARG 2 21.352 -4.296 8.023 13 2HB ARG 2 HB1 ARG 2 19.812 -4.577 7.209 14 1HG ARG 2 HG2 ARG 2 19.009 -2.483 7.707 15 2HG ARG 2 HG1 ARG 2 19.871 -2.405 9.243 16 1HD ARG 2 HD2 ARG 2 21.671 -2.491 6.916 17 2HD ARG 2 HD1 ARG 2 20.636 -1.051 6.963 18 HE ARG 2 HE ARG 2 21.406 -0.878 9.427 19 1HH1 ARG 2 HH2 ARG 2 23.408 0.030 7.293 20 2HH1 ARG 2 HH2 ARG 2 24.861 -0.714 7.871 21 1HH2 ARG 2 HH1 ARG 2 23.214 -2.875 10.024 22 2HH2 ARG 2 HH1 ARG 2 24.751 -2.359 9.417 23 H GLY 3 HN GLY 3 17.667 -3.640 8.589 24 1HA GLY 3 HA2 GLY 3 15.813 -5.874 9.106 25 2HA GLY 3 HA1 GLY 3 15.355 -4.238 8.630 26 H SER 4 HN SER 4 15.665 -7.401 7.527 27 HA SER 4 HA SER 4 15.798 -6.491 4.671 28 1HB SER 4 HB2 SER 4 16.595 -8.809 4.259 29 2HB SER 4 HB1 SER 4 17.618 -7.972 5.423 30 HG SER 4 HG SER 4 16.909 -10.163 5.993 31 H ASP 5 HN ASP 5 13.346 -6.351 6.165 32 HA ASP 5 HA ASP 5 11.706 -8.699 5.782 33 1HB ASP 5 HB2 ASP 5 11.131 -5.744 6.164 34 2HB ASP 5 HB1 ASP 5 9.884 -6.992 6.203 35 H ILE 6 HN ILE 6 9.598 -8.356 4.350 36 HA ILE 6 HA ILE 6 10.553 -7.750 1.594 37 HB ILE 6 HB ILE 6 8.105 -9.182 2.679 38 1HG1 ILE 6 HG1 ILE 6 10.378 -10.515 1.248 39 2HG1 ILE 6 HG1 ILE 6 10.584 -10.094 2.949 40 1HG2 ILE 6 HG2 ILE 6 8.636 -10.034 0.076 41 2HG2 ILE 6 HG2 ILE 6 8.873 -8.287 0.009 42 3HG2 ILE 6 HG2 ILE 6 7.336 -8.948 0.567 43 1HD1 ILE 6 HD1 ILE 6 8.078 -11.503 2.089 44 2HD1 ILE 6 HD1 ILE 6 8.894 -11.533 3.653 45 3HD1 ILE 6 HD1 ILE 6 9.562 -12.434 2.292 46 H SER 7 HN SER 7 9.929 -5.509 3.328 47 HA SER 7 HA SER 7 7.371 -4.521 2.145 48 1HB SER 7 HB2 SER 7 7.602 -2.889 4.128 49 2HB SER 7 HB1 SER 7 7.251 -4.570 4.521 50 HG SER 7 HG SER 7 8.962 -4.246 5.752 51 H LYS 8 HN LYS 8 9.841 -4.461 0.642 52 HA LYS 8 HA LYS 8 11.173 -1.911 0.864 53 1HB LYS 8 HB2 LYS 8 11.225 -4.313 -0.720 54 2HB LYS 8 HB1 LYS 8 11.269 -2.917 -1.796 55 1HG LYS 8 HG2 LYS 8 13.272 -2.128 -0.920 56 2HG LYS 8 HG1 LYS 8 13.018 -2.914 0.638 57 1HD LYS 8 HD2 LYS 8 13.376 -5.123 -0.442 58 2HD LYS 8 HD1 LYS 8 13.699 -4.304 -1.971 59 1HE LYS 8 HE2 LYS 8 15.278 -3.300 0.328 60 2HE LYS 8 HE1 LYS 8 15.660 -4.954 -0.191 61 1HZ LYS 8 HZ1 LYS 8 16.073 -4.266 -2.361 62 2HZ LYS 8 HZ2 LYS 8 16.792 -3.041 -1.429 63 3HZ LYS 8 HZ3 LYS 8 15.277 -2.781 -2.156 64 H THR 9 HN THR 9 11.113 -0.579 -1.426 65 HA THR 9 HA THR 9 8.529 0.731 -1.469 66 HB THR 9 HB THR 9 10.606 1.047 -3.612 67 HG1 THR 9 HG1 THR 9 10.910 1.551 -0.855 68 1HG2 THR 9 HG2 THR 9 10.132 3.468 -3.063 69 2HG2 THR 9 HG2 THR 9 8.897 2.900 -1.938 70 3HG2 THR 9 HG2 THR 9 8.740 2.566 -3.662 71 H CYS 10 HN CYS 10 10.249 -1.406 -3.767 72 HA CYS 10 HA CYS 10 8.095 -1.361 -5.725 73 1HB CYS 10 HB2 CYS 10 10.430 -3.258 -5.318 74 2HB CYS 10 HB1 CYS 10 9.503 -3.064 -6.804 75 H CYS 11 HN CYS 11 7.322 -3.737 -6.427 76 HA CYS 11 HA CYS 11 6.500 -5.243 -3.966 77 1HB CYS 11 HB2 CYS 11 4.922 -3.946 -6.143 78 2HB CYS 11 HB1 CYS 11 4.328 -5.490 -5.533 79 H PHE 12 HN PHE 12 5.710 -7.481 -4.557 80 HA PHE 12 HA PHE 12 6.720 -8.517 -7.147 81 1HB PHE 12 HB2 PHE 12 7.943 -8.808 -4.503 82 2HB PHE 12 HB1 PHE 12 7.621 -10.364 -5.267 83 HD1 PHE 12 HD1 PHE 12 8.944 -11.140 -7.078 84 HD2 PHE 12 HD2 PHE 12 9.233 -7.046 -5.810 85 HE1 PHE 12 HE1 PHE 12 10.903 -10.818 -8.564 86 HE2 PHE 12 HE2 PHE 12 11.192 -6.724 -7.296 87 HZ PHE 12 HZ PHE 12 12.026 -8.610 -8.673 88 H GLN 13 HN GLN 13 5.248 -9.398 -4.007 89 HA GLN 13 HA GLN 13 3.616 -11.469 -5.375 90 1HB GLN 13 HB2 GLN 13 3.204 -12.236 -3.080 91 2HB GLN 13 HB1 GLN 13 4.933 -11.986 -3.318 92 1HG GLN 13 HG2 GLN 13 4.869 -10.666 -1.487 93 2HG GLN 13 HG1 GLN 13 4.011 -9.492 -2.485 94 1HE2 GLN 13 HE2 GLN 13 2.327 -8.745 -1.157 95 2HE2 GLN 13 HE2 GLN 13 1.236 -9.751 -0.334 96 H TYR 14 HN TYR 14 1.245 -11.543 -4.623 97 HA TYR 14 HA TYR 14 0.120 -8.934 -3.810 98 1HB TYR 14 HB2 TYR 14 -0.356 -10.276 -6.486 99 2HB TYR 14 HB1 TYR 14 -1.312 -8.922 -5.881 100 HD1 TYR 14 HD1 TYR 14 1.456 -9.782 -7.861 101 HD2 TYR 14 HD2 TYR 14 0.174 -6.880 -4.964 102 HE1 TYR 14 HE1 TYR 14 3.174 -8.196 -8.688 103 HE2 TYR 14 HE2 TYR 14 1.893 -5.295 -5.791 104 HH TYR 14 HH TYR 14 3.254 -5.332 -8.540 105 H SER 15 HN SER 15 -1.717 -9.270 -2.601 106 HA SER 15 HA SER 15 -2.861 -12.024 -2.565 107 1HB SER 15 HB2 SER 15 -1.801 -10.836 -0.527 108 2HB SER 15 HB1 SER 15 -3.242 -9.823 -0.530 109 HG SER 15 HG SER 15 -3.046 -12.069 0.647 110 H HIS 16 HN HIS 16 -5.254 -12.159 -2.346 111 HA HIS 16 HA HIS 16 -6.640 -9.779 -3.545 112 1HB HIS 16 HB2 HIS 16 -6.167 -12.158 -4.753 113 2HB HIS 16 HB1 HIS 16 -7.700 -12.525 -3.963 114 HD1 HIS 16 HD1 HIS 16 -8.280 -12.525 -6.740 115 HD2 HIS 16 HD2 HIS 16 -7.837 -8.862 -4.800 116 HE1 HIS 16 HE1 HIS 16 -9.409 -10.796 -8.207 117 H LYS 17 HN LYS 17 -6.951 -9.340 -1.100 118 HA LYS 17 HA LYS 17 -9.616 -10.263 -0.333 119 1HB LYS 17 HB2 LYS 17 -8.785 -11.283 1.807 120 2HB LYS 17 HB1 LYS 17 -8.260 -12.162 0.372 121 1HG LYS 17 HG2 LYS 17 -6.066 -11.599 0.666 122 2HG LYS 17 HG1 LYS 17 -6.455 -9.989 1.271 123 1HD LYS 17 HD2 LYS 17 -5.582 -11.127 3.158 124 2HD LYS 17 HD1 LYS 17 -7.332 -11.190 3.379 125 1HE LYS 17 HE2 LYS 17 -6.800 -13.453 1.839 126 2HE LYS 17 HE1 LYS 17 -5.450 -13.394 2.991 127 1HZ LYS 17 HZ1 LYS 17 -8.353 -13.299 3.599 128 2HZ LYS 17 HZ2 LYS 17 -7.157 -12.896 4.736 129 3HZ LYS 17 HZ3 LYS 17 -7.231 -14.469 4.099 130 HA PRO 18 HA PRO 18 -9.376 -6.278 1.549 131 1HB PRO 18 HB2 PRO 18 -11.569 -6.421 3.175 132 2HB PRO 18 HB1 PRO 18 -11.682 -6.212 1.416 133 1HG PRO 18 HG2 PRO 18 -12.050 -8.662 3.060 134 2HG PRO 18 HG1 PRO 18 -12.924 -8.128 1.616 135 1HD PRO 18 HD2 PRO 18 -10.974 -10.046 1.592 136 2HD PRO 18 HD1 PRO 18 -11.379 -9.029 0.192 137 H LEU 19 HN LEU 19 -8.070 -5.636 3.203 138 HA LEU 19 HA LEU 19 -7.390 -7.466 5.389 139 1HB LEU 19 HB2 LEU 19 -5.899 -5.836 4.053 140 2HB LEU 19 HB1 LEU 19 -6.624 -4.559 5.028 141 HG LEU 19 HG LEU 19 -5.909 -5.847 7.083 142 1HD1 LEU 19 HD1 LEU 19 -5.645 -8.048 5.982 143 2HD1 LEU 19 HD1 LEU 19 -4.147 -7.551 6.768 144 3HD1 LEU 19 HD1 LEU 19 -4.316 -7.403 5.019 145 1HD2 LEU 19 HD2 LEU 19 -3.303 -5.443 6.018 146 2HD2 LEU 19 HD2 LEU 19 -4.241 -4.336 7.020 147 3HD2 LEU 19 HD2 LEU 19 -4.361 -4.252 5.262 148 HA PRO 20 HA PRO 20 -10.445 -5.920 8.196 149 1HB PRO 20 HB2 PRO 20 -9.183 -6.487 10.570 150 2HB PRO 20 HB1 PRO 20 -9.981 -7.721 9.572 151 1HG PRO 20 HG2 PRO 20 -7.085 -7.003 9.727 152 2HG PRO 20 HG1 PRO 20 -7.847 -8.604 9.680 153 1HD PRO 20 HD2 PRO 20 -6.738 -7.518 7.493 154 2HD PRO 20 HD1 PRO 20 -8.205 -8.517 7.393 155 H TRP 21 HN TRP 21 -10.522 -3.696 8.080 156 HA TRP 21 HA TRP 21 -8.556 -1.776 8.284 157 1HB TRP 21 HB2 TRP 21 -11.418 -1.816 9.256 158 2HB TRP 21 HB1 TRP 21 -10.461 -0.334 9.175 159 HD1 TRP 21 HD1 TRP 21 -12.225 -2.890 7.010 160 HE1 TRP 21 HE1 TRP 21 -12.207 -2.088 4.560 161 HE3 TRP 21 HE3 TRP 21 -9.069 1.105 7.412 162 HZ2 TRP 21 HZ2 TRP 21 -11.008 -0.030 2.980 163 HZ3 TRP 21 HZ3 TRP 21 -8.505 2.467 5.419 164 HH2 TRP 21 HH2 TRP 21 -9.469 1.904 3.205 165 H THR 22 HN THR 22 -9.906 -3.629 10.951 166 HA THR 22 HA THR 22 -9.172 -2.031 13.164 167 HB THR 22 HB THR 22 -8.877 -4.393 14.205 168 HG1 THR 22 HG1 THR 22 -8.424 -5.659 12.526 169 1HG2 THR 22 HG2 THR 22 -11.284 -4.787 14.129 170 2HG2 THR 22 HG2 THR 22 -11.428 -3.773 12.694 171 3HG2 THR 22 HG2 THR 22 -10.979 -3.053 14.241 172 H TRP 23 HN TRP 23 -7.234 -4.191 11.140 173 HA TRP 23 HA TRP 23 -4.781 -3.524 12.694 174 1HB TRP 23 HB2 TRP 23 -5.683 -5.682 10.804 175 2HB TRP 23 HB1 TRP 23 -3.960 -5.390 11.009 176 HD1 TRP 23 HD1 TRP 23 -5.274 -4.564 14.247 177 HE1 TRP 23 HE1 TRP 23 -5.172 -6.560 15.873 178 HE3 TRP 23 HE3 TRP 23 -4.499 -8.370 10.929 179 HZ2 TRP 23 HZ2 TRP 23 -4.811 -9.396 15.782 180 HZ3 TRP 23 HZ3 TRP 23 -4.281 -10.706 11.726 181 HH2 TRP 23 HH2 TRP 23 -4.436 -11.224 14.146 182 H VAL 24 HN VAL 24 -6.446 -2.360 10.010 183 HA VAL 24 HA VAL 24 -4.097 -1.939 8.293 184 HB VAL 24 HB VAL 24 -6.903 -0.797 8.161 185 1HG1 VAL 24 HG1 VAL 24 -5.291 -1.319 5.729 186 2HG1 VAL 24 HG1 VAL 24 -4.712 -0.006 6.755 187 3HG1 VAL 24 HG1 VAL 24 -6.351 0.039 6.107 188 1HG2 VAL 24 HG2 VAL 24 -5.869 -3.148 6.579 189 2HG2 VAL 24 HG2 VAL 24 -7.540 -2.683 6.894 190 3HG2 VAL 24 HG2 VAL 24 -6.564 -3.388 8.180 191 H ARG 25 HN ARG 25 -3.072 0.092 7.968 192 HA ARG 25 HA ARG 25 -3.842 2.261 9.891 193 1HB ARG 25 HB2 ARG 25 -1.865 0.789 10.541 194 2HB ARG 25 HB1 ARG 25 -1.024 1.446 9.136 195 1HG ARG 25 HG2 ARG 25 -1.157 3.688 10.005 196 2HG ARG 25 HG1 ARG 25 -2.234 3.176 11.307 197 1HD ARG 25 HD2 ARG 25 -0.300 3.040 12.531 198 2HD ARG 25 HD1 ARG 25 -0.074 1.502 11.676 199 HE ARG 25 HE ARG 25 0.830 3.670 10.022 200 1HH1 ARG 25 HH1 ARG 25 1.662 2.993 13.203 201 2HH1 ARG 25 HH1 ARG 25 3.343 2.711 12.889 202 1HH2 ARG 25 HH2 ARG 25 2.989 2.810 9.441 203 2HH2 ARG 25 HH2 ARG 25 4.094 2.609 10.760 204 H SER 26 HN SER 26 -2.191 1.419 6.835 205 HA SER 26 HA SER 26 -3.202 3.759 5.476 206 1HB SER 26 HB2 SER 26 -0.991 4.951 5.348 207 2HB SER 26 HB1 SER 26 -1.655 4.897 6.976 208 HG SER 26 HG SER 26 0.474 4.272 7.090 209 H TYR 27 HN TYR 27 -1.147 4.133 3.594 210 HA TYR 27 HA TYR 27 -0.372 1.442 2.633 211 1HB TYR 27 HB2 TYR 27 -1.642 1.662 0.590 212 2HB TYR 27 HB1 TYR 27 -2.742 1.997 1.923 213 HD1 TYR 27 HD1 TYR 27 -1.094 3.329 -1.023 214 HD2 TYR 27 HD2 TYR 27 -3.310 4.380 2.502 215 HE1 TYR 27 HE1 TYR 27 -1.571 5.559 -1.990 216 HE2 TYR 27 HE2 TYR 27 -3.787 6.611 1.536 217 HH TYR 27 HH TYR 27 -3.016 8.107 -0.107 218 H GLU 28 HN GLU 28 0.360 2.171 0.042 219 HA GLU 28 HA GLU 28 1.766 4.651 -0.214 220 1HB GLU 28 HB2 GLU 28 4.088 3.683 0.179 221 2HB GLU 28 HB1 GLU 28 3.114 3.885 1.633 222 1HG GLU 28 HG2 GLU 28 2.471 1.323 0.656 223 2HG GLU 28 HG1 GLU 28 4.222 1.457 0.508 224 H PHE 29 HN PHE 29 2.283 4.841 -2.368 225 HA PHE 29 HA PHE 29 1.928 2.492 -4.112 226 1HB PHE 29 HB2 PHE 29 1.309 5.142 -4.264 227 2HB PHE 29 HB1 PHE 29 2.810 5.108 -5.190 228 HD1 PHE 29 HD1 PHE 29 3.007 3.066 -6.893 229 HD2 PHE 29 HD2 PHE 29 -0.680 4.668 -5.382 230 HE1 PHE 29 HE1 PHE 29 1.795 2.098 -8.828 231 HE2 PHE 29 HE2 PHE 29 -1.893 3.701 -7.317 232 HZ PHE 29 HZ PHE 29 -0.656 2.417 -9.040 233 H THR 30 HN THR 30 3.572 1.745 -5.583 234 HA THR 30 HA THR 30 6.274 1.751 -4.539 235 HB THR 30 HB THR 30 6.650 0.538 -6.767 236 HG1 THR 30 HG1 THR 30 5.157 1.066 -8.150 237 1HG2 THR 30 HG2 THR 30 6.164 -1.223 -5.461 238 2HG2 THR 30 HG2 THR 30 4.458 -1.016 -5.858 239 3HG2 THR 30 HG2 THR 30 5.138 -0.212 -4.443 240 H SER 31 HN SER 31 8.168 2.609 -5.685 241 HA SER 31 HA SER 31 7.839 5.314 -6.627 242 1HB SER 31 HB2 SER 31 9.830 3.854 -5.547 243 2HB SER 31 HB1 SER 31 10.292 3.733 -7.243 244 HG SER 31 HG SER 31 11.029 5.680 -7.029 245 H ASN 32 HN ASN 32 9.206 5.781 -8.836 246 HA ASN 32 HA ASN 32 7.627 4.487 -10.968 247 1HB ASN 32 HB2 ASN 32 8.684 6.283 -12.328 248 2HB ASN 32 HB1 ASN 32 7.942 6.927 -10.864 249 1HD2 ASN 32 HD2 ASN 32 9.958 8.455 -12.034 250 2HD2 ASN 32 HD2 ASN 32 11.368 8.381 -11.091 251 H SER 33 HN SER 33 10.846 4.327 -9.637 252 HA SER 33 HA SER 33 11.890 2.909 -12.025 253 1HB SER 33 HB2 SER 33 12.927 4.426 -9.724 254 2HB SER 33 HB1 SER 33 13.882 3.002 -10.127 255 HG SER 33 HG SER 33 14.025 5.281 -11.296 256 H CYS 34 HN CYS 34 9.836 1.577 -10.475 257 HA CYS 34 HA CYS 34 11.329 -0.485 -8.922 258 1HB CYS 34 HB2 CYS 34 8.570 0.612 -9.073 259 2HB CYS 34 HB1 CYS 34 8.701 -1.100 -8.674 260 H SER 35 HN SER 35 10.990 -2.756 -9.438 261 HA SER 35 HA SER 35 11.058 -3.404 -12.221 262 1HB SER 35 HB2 SER 35 11.719 -4.612 -9.897 263 2HB SER 35 HB1 SER 35 10.195 -5.433 -10.219 264 HG SER 35 HG SER 35 11.809 -6.565 -11.248 265 H GLN 36 HN GLN 36 8.401 -3.046 -9.969 266 HA GLN 36 HA GLN 36 6.479 -3.458 -12.182 267 1HB GLN 36 HB2 GLN 36 6.971 -5.695 -11.170 268 2HB GLN 36 HB1 GLN 36 6.411 -5.078 -9.615 269 1HG GLN 36 HG2 GLN 36 4.482 -6.103 -10.458 270 2HG GLN 36 HG1 GLN 36 4.253 -4.424 -10.946 271 1HE2 GLN 36 HE2 GLN 36 2.860 -6.098 -12.525 272 2HE2 GLN 36 HE2 GLN 36 3.632 -6.378 -14.010 273 H ARG 37 HN ARG 37 4.954 -1.875 -11.971 274 HA ARG 37 HA ARG 37 4.818 -0.138 -9.663 275 1HB ARG 37 HB2 ARG 37 3.849 -0.327 -12.359 276 2HB ARG 37 HB1 ARG 37 2.482 0.030 -11.303 277 1HG ARG 37 HG2 ARG 37 3.788 1.901 -10.300 278 2HG ARG 37 HG1 ARG 37 5.086 1.577 -11.450 279 1HD ARG 37 HD2 ARG 37 3.973 2.601 -13.156 280 2HD ARG 37 HD1 ARG 37 2.429 1.851 -12.706 281 HE ARG 37 HE ARG 37 2.368 3.554 -10.804 282 1HH1 ARG 37 HH1 ARG 37 3.177 4.192 -14.014 283 2HH1 ARG 37 HH1 ARG 37 3.621 5.845 -13.750 284 1HH2 ARG 37 HH2 ARG 37 3.387 5.634 -10.297 285 2HH2 ARG 37 HH2 ARG 37 3.740 6.662 -11.646 286 H ALA 38 HN ALA 38 3.434 -0.271 -7.887 287 HA ALA 38 HA ALA 38 0.950 -1.783 -7.947 288 1HB ALA 38 HB1 ALA 38 3.417 -3.148 -7.492 289 2HB ALA 38 HB2 ALA 38 1.784 -3.812 -7.423 290 3HB ALA 38 HB3 ALA 38 2.523 -3.137 -5.971 291 H VAL 39 HN VAL 39 -0.222 -1.574 -5.935 292 HA VAL 39 HA VAL 39 0.764 0.651 -4.214 293 HB VAL 39 HB VAL 39 -1.934 -0.713 -4.526 294 1HG1 VAL 39 HG1 VAL 39 -2.679 0.527 -2.797 295 2HG1 VAL 39 HG1 VAL 39 -1.928 1.985 -3.443 296 3HG1 VAL 39 HG1 VAL 39 -0.993 0.889 -2.429 297 1HG2 VAL 39 HG2 VAL 39 -2.451 0.833 -6.130 298 2HG2 VAL 39 HG2 VAL 39 -0.703 0.870 -6.359 299 3HG2 VAL 39 HG2 VAL 39 -1.489 2.098 -5.366 300 H ILE 40 HN ILE 40 0.798 0.374 -1.885 301 HA ILE 40 HA ILE 40 0.641 -2.476 -0.975 302 HB ILE 40 HB ILE 40 2.649 -0.292 -0.358 303 1HG1 ILE 40 HG1 ILE 40 3.503 -2.949 -1.306 304 2HG1 ILE 40 HG1 ILE 40 2.559 -2.027 -2.474 305 1HG2 ILE 40 HG2 ILE 40 3.316 -2.928 0.637 306 2HG2 ILE 40 HG2 ILE 40 1.792 -2.374 1.330 307 3HG2 ILE 40 HG2 ILE 40 3.250 -1.396 1.509 308 1HD1 ILE 40 HD1 ILE 40 4.116 -0.052 -1.891 309 2HD1 ILE 40 HD1 ILE 40 4.790 -1.350 -2.876 310 3HD1 ILE 40 HD1 ILE 40 5.163 -1.265 -1.154 311 H PHE 41 HN PHE 41 -0.495 -2.788 0.901 312 HA PHE 41 HA PHE 41 -1.593 -0.383 2.309 313 1HB PHE 41 HB2 PHE 41 -2.455 -3.286 2.036 314 2HB PHE 41 HB1 PHE 41 -3.267 -2.135 3.097 315 HD1 PHE 41 HD1 PHE 41 -3.604 0.281 1.767 316 HD2 PHE 41 HD2 PHE 41 -3.563 -3.645 0.030 317 HE1 PHE 41 HE1 PHE 41 -4.942 1.115 -0.147 318 HE2 PHE 41 HE2 PHE 41 -4.901 -2.812 -1.884 319 HZ PHE 41 HZ PHE 41 -5.592 -0.433 -1.970 320 H THR 42 HN THR 42 -0.773 -0.038 4.396 321 HA THR 42 HA THR 42 0.781 -2.284 5.586 322 HB THR 42 HB THR 42 1.993 -0.196 5.187 323 HG1 THR 42 HG1 THR 42 1.344 -0.610 7.918 324 1HG2 THR 42 HG2 THR 42 0.822 1.713 5.284 325 2HG2 THR 42 HG2 THR 42 0.863 1.577 7.044 326 3HG2 THR 42 HG2 THR 42 -0.495 0.916 6.139 327 H THR 43 HN THR 43 0.519 -2.727 7.858 328 HA THR 43 HA THR 43 -2.253 -2.167 8.794 329 HB THR 43 HB THR 43 -1.722 -4.203 10.234 330 HG1 THR 43 HG1 THR 43 0.155 -5.189 9.941 331 1HG2 THR 43 HG2 THR 43 -1.964 -4.075 7.286 332 2HG2 THR 43 HG2 THR 43 -2.971 -4.914 8.465 333 3HG2 THR 43 HG2 THR 43 -1.447 -5.628 7.940 334 H LYS 44 HN LYS 44 -2.035 -2.723 11.452 335 HA LYS 44 HA LYS 44 -0.791 -0.300 12.511 336 1HB LYS 44 HB2 LYS 44 -2.766 -2.327 13.253 337 2HB LYS 44 HB1 LYS 44 -1.764 -1.821 14.614 338 1HG LYS 44 HG2 LYS 44 -2.412 0.436 14.413 339 2HG LYS 44 HG1 LYS 44 -2.988 0.216 12.760 340 1HD LYS 44 HD2 LYS 44 -4.577 -1.561 14.061 341 2HD LYS 44 HD1 LYS 44 -4.354 -0.354 15.327 342 1HE LYS 44 HE2 LYS 44 -4.832 0.994 12.822 343 2HE LYS 44 HE1 LYS 44 -6.120 -0.190 13.114 344 1HZ LYS 44 HZ1 LYS 44 -5.190 1.978 14.903 345 2HZ LYS 44 HZ2 LYS 44 -6.087 0.659 15.487 346 3HZ LYS 44 HZ3 LYS 44 -6.759 1.699 14.324 347 H ARG 45 HN ARG 45 -0.087 -3.739 12.434 348 HA ARG 45 HA ARG 45 1.929 -3.631 14.558 349 1HB ARG 45 HB2 ARG 45 0.397 -5.547 13.167 350 2HB ARG 45 HB1 ARG 45 2.077 -5.903 12.765 351 1HG ARG 45 HG2 ARG 45 1.786 -7.107 14.750 352 2HG ARG 45 HG1 ARG 45 2.485 -5.596 15.333 353 1HD ARG 45 HD2 ARG 45 -0.085 -4.863 15.438 354 2HD ARG 45 HD1 ARG 45 -0.313 -6.615 15.613 355 HE ARG 45 HE ARG 45 1.800 -5.412 17.292 356 1HH1 ARG 45 HH2 ARG 45 -1.574 -5.566 17.193 357 2HH1 ARG 45 HH2 ARG 45 -1.755 -6.243 18.776 358 1HH2 ARG 45 HH1 ARG 45 1.646 -6.727 19.247 359 2HH2 ARG 45 HH1 ARG 45 0.067 -6.901 19.940 360 H GLY 46 HN GLY 46 1.862 -2.980 11.160 361 1HA GLY 46 HA2 GLY 46 3.804 -1.825 10.175 362 2HA GLY 46 HA1 GLY 46 4.845 -2.842 11.171 363 H LYS 47 HN LYS 47 2.131 -4.406 9.723 364 HA LYS 47 HA LYS 47 3.948 -5.994 8.027 365 1HB LYS 47 HB2 LYS 47 2.139 -6.890 9.580 366 2HB LYS 47 HB1 LYS 47 0.957 -6.231 8.450 367 1HG LYS 47 HG2 LYS 47 1.156 -8.371 7.597 368 2HG LYS 47 HG1 LYS 47 2.432 -7.565 6.680 369 1HD LYS 47 HD2 LYS 47 4.100 -8.300 8.334 370 2HD LYS 47 HD1 LYS 47 2.832 -9.090 9.271 371 1HE LYS 47 HE2 LYS 47 3.036 -9.823 6.380 372 2HE LYS 47 HE1 LYS 47 4.277 -10.459 7.477 373 1HZ LYS 47 HZ1 LYS 47 2.455 -11.961 7.554 374 2HZ LYS 47 HZ2 LYS 47 1.331 -10.702 7.752 375 3HZ LYS 47 HZ3 LYS 47 2.418 -11.079 9.002 376 H LYS 48 HN LYS 48 4.421 -4.524 6.288 377 HA LYS 48 HA LYS 48 2.275 -3.166 4.840 378 1HB LYS 48 HB2 LYS 48 5.176 -3.648 4.099 379 2HB LYS 48 HB1 LYS 48 4.120 -2.391 3.453 380 1HG LYS 48 HG2 LYS 48 3.922 -1.983 6.175 381 2HG LYS 48 HG1 LYS 48 5.608 -2.461 5.987 382 1HD LYS 48 HD2 LYS 48 4.677 -0.569 3.935 383 2HD LYS 48 HD1 LYS 48 4.648 0.084 5.573 384 1HE LYS 48 HE2 LYS 48 7.091 -1.348 5.326 385 2HE LYS 48 HE1 LYS 48 6.932 -0.336 3.876 386 1HZ LYS 48 HZ1 LYS 48 7.807 1.104 5.473 387 2HZ LYS 48 HZ2 LYS 48 6.825 0.489 6.715 388 3HZ LYS 48 HZ3 LYS 48 6.148 1.453 5.491 389 H VAL 49 HN VAL 49 1.037 -4.127 3.290 390 HA VAL 49 HA VAL 49 2.051 -6.661 2.040 391 HB VAL 49 HB VAL 49 -0.749 -5.566 2.465 392 1HG1 VAL 49 HG1 VAL 49 0.294 -7.675 0.767 393 2HG1 VAL 49 HG1 VAL 49 -1.355 -7.063 0.892 394 3HG1 VAL 49 HG1 VAL 49 -0.803 -8.335 1.981 395 1HG2 VAL 49 HG2 VAL 49 1.046 -7.412 3.986 396 2HG2 VAL 49 HG2 VAL 49 -0.675 -7.797 3.934 397 3HG2 VAL 49 HG2 VAL 49 -0.136 -6.249 4.589 398 H CYS 50 HN CYS 50 2.126 -6.800 -0.208 399 HA CYS 50 HA CYS 50 1.882 -4.299 -1.746 400 1HB CYS 50 HB2 CYS 50 2.931 -7.078 -2.097 401 2HB CYS 50 HB1 CYS 50 2.526 -6.175 -3.556 402 H THR 51 HN THR 51 0.442 -4.080 -3.587 403 HA THR 51 HA THR 51 -1.604 -6.157 -4.061 404 HB THR 51 HB THR 51 -3.392 -4.349 -3.571 405 HG1 THR 51 HG1 THR 51 -2.110 -2.574 -3.347 406 1HG2 THR 51 HG2 THR 51 -3.594 -5.087 -1.333 407 2HG2 THR 51 HG2 THR 51 -1.848 -5.244 -1.140 408 3HG2 THR 51 HG2 THR 51 -2.731 -6.393 -2.144 409 H HIS 52 HN HIS 52 -3.084 -5.444 -5.883 410 HA HIS 52 HA HIS 52 -1.536 -3.905 -7.877 411 1HB HIS 52 HB2 HIS 52 -3.803 -5.861 -7.827 412 2HB HIS 52 HB1 HIS 52 -3.637 -4.813 -9.236 413 HD1 HIS 52 HD1 HIS 52 -1.251 -4.914 -10.480 414 HD2 HIS 52 HD2 HIS 52 -1.993 -7.983 -7.756 415 HE1 HIS 52 HE1 HIS 52 0.439 -6.736 -10.974 416 HA PRO 53 HA PRO 53 -4.186 -0.402 -7.298 417 1HB PRO 53 HB2 PRO 53 -3.443 1.033 -9.502 418 2HB PRO 53 HB1 PRO 53 -2.420 0.878 -8.063 419 1HG PRO 53 HG2 PRO 53 -2.187 -0.445 -10.692 420 2HG PRO 53 HG1 PRO 53 -0.928 0.008 -9.536 421 1HD PRO 53 HD2 PRO 53 -1.952 -2.560 -9.919 422 2HD PRO 53 HD1 PRO 53 -0.988 -2.016 -8.530 423 H ARG 54 HN ARG 54 -4.070 -2.016 -10.470 424 HA ARG 54 HA ARG 54 -6.394 -0.858 -11.633 425 1HB ARG 54 HB2 ARG 54 -6.353 -2.967 -12.990 426 2HB ARG 54 HB1 ARG 54 -4.766 -2.211 -12.852 427 1HG ARG 54 HG2 ARG 54 -4.870 -3.859 -10.624 428 2HG ARG 54 HG1 ARG 54 -5.676 -4.814 -11.868 429 1HD ARG 54 HD2 ARG 54 -3.151 -3.418 -12.652 430 2HD ARG 54 HD1 ARG 54 -3.011 -4.855 -11.620 431 HE ARG 54 HE ARG 54 -4.497 -4.855 -14.223 432 1HH1 ARG 54 HH1 ARG 54 -4.377 -6.948 -11.785 433 2HH1 ARG 54 HH1 ARG 54 -3.472 -8.196 -12.575 434 1HH2 ARG 54 HH2 ARG 54 -2.547 -6.197 -15.254 435 2HH2 ARG 54 HH2 ARG 54 -2.436 -7.770 -14.539 436 H LYS 55 HN LYS 55 -6.049 -3.203 -9.077 437 HA LYS 55 HA LYS 55 -8.617 -4.479 -9.263 438 1HB LYS 55 HB2 LYS 55 -6.744 -3.916 -6.943 439 2HB LYS 55 HB1 LYS 55 -8.090 -5.054 -6.881 440 1HG LYS 55 HG2 LYS 55 -5.710 -5.202 -8.758 441 2HG LYS 55 HG1 LYS 55 -6.007 -6.252 -7.372 442 1HD LYS 55 HD2 LYS 55 -6.992 -7.610 -8.915 443 2HD LYS 55 HD1 LYS 55 -8.362 -6.515 -8.728 444 1HE LYS 55 HE2 LYS 55 -7.185 -5.088 -10.573 445 2HE LYS 55 HE1 LYS 55 -6.297 -6.584 -10.925 446 1HZ LYS 55 HZ1 LYS 55 -9.241 -6.210 -10.864 447 2HZ LYS 55 HZ2 LYS 55 -8.495 -7.735 -10.915 448 3HZ LYS 55 HZ3 LYS 55 -8.288 -6.643 -12.199 449 H LYS 56 HN LYS 56 -10.575 -3.501 -8.988 450 HA LYS 56 HA LYS 56 -11.021 -0.829 -8.219 451 1HB LYS 56 HB2 LYS 56 -12.645 -3.357 -8.292 452 2HB LYS 56 HB1 LYS 56 -13.375 -1.871 -7.683 453 1HG LYS 56 HG2 LYS 56 -13.871 -1.587 -9.908 454 2HG LYS 56 HG1 LYS 56 -12.249 -0.894 -9.921 455 1HD LYS 56 HD2 LYS 56 -11.284 -2.924 -10.737 456 2HD LYS 56 HD1 LYS 56 -12.766 -3.831 -10.429 457 1HE LYS 56 HE2 LYS 56 -13.622 -3.248 -12.447 458 2HE LYS 56 HE1 LYS 56 -13.257 -1.534 -12.167 459 1HZ LYS 56 HZ1 LYS 56 -10.848 -2.214 -12.532 460 2HZ LYS 56 HZ2 LYS 56 -11.842 -2.147 -13.908 461 3HZ LYS 56 HZ3 LYS 56 -11.461 -3.646 -13.203 462 H TRP 57 HN TRP 57 -11.160 -3.772 -6.176 463 HA TRP 57 HA TRP 57 -12.027 -2.485 -3.793 464 1HB TRP 57 HB2 TRP 57 -11.711 -4.590 -2.892 465 2HB TRP 57 HB1 TRP 57 -11.621 -5.018 -4.595 466 HD1 TRP 57 HD1 TRP 57 -9.395 -6.004 -5.470 467 HE1 TRP 57 HE1 TRP 57 -7.110 -6.525 -4.393 468 HE3 TRP 57 HE3 TRP 57 -9.995 -3.684 -0.965 469 HZ2 TRP 57 HZ2 TRP 57 -5.723 -6.015 -1.943 470 HZ3 TRP 57 HZ3 TRP 57 -8.179 -3.721 0.722 471 HH2 TRP 57 HH2 TRP 57 -6.045 -4.881 0.238 472 H VAL 58 HN VAL 58 -8.766 -2.877 -5.160 473 HA VAL 58 HA VAL 58 -7.317 -1.898 -2.868 474 HB VAL 58 HB VAL 58 -6.735 -1.948 -5.846 475 1HG1 VAL 58 HG1 VAL 58 -5.352 -0.521 -3.882 476 2HG1 VAL 58 HG1 VAL 58 -4.726 -0.993 -5.460 477 3HG1 VAL 58 HG1 VAL 58 -4.437 -2.018 -4.055 478 1HG2 VAL 58 HG2 VAL 58 -6.163 -3.807 -3.534 479 2HG2 VAL 58 HG2 VAL 58 -5.274 -3.905 -5.052 480 3HG2 VAL 58 HG2 VAL 58 -7.016 -4.173 -5.033 481 H GLN 59 HN GLN 59 -8.513 -0.282 -5.833 482 HA GLN 59 HA GLN 59 -7.534 2.327 -5.269 483 1HB GLN 59 HB2 GLN 59 -9.996 1.289 -6.711 484 2HB GLN 59 HB1 GLN 59 -9.472 2.970 -6.782 485 1HG GLN 59 HG2 GLN 59 -7.177 2.001 -7.511 486 2HG GLN 59 HG1 GLN 59 -8.077 0.522 -7.850 487 1HE2 GLN 59 HE2 GLN 59 -8.565 4.062 -8.433 488 2HE2 GLN 59 HE2 GLN 59 -9.072 3.870 -10.041 489 H LYS 60 HN LYS 60 -10.273 0.512 -4.056 490 HA LYS 60 HA LYS 60 -11.583 2.796 -2.813 491 1HB LYS 60 HB2 LYS 60 -12.469 0.456 -3.636 492 2HB LYS 60 HB1 LYS 60 -11.968 -0.082 -2.032 493 1HG LYS 60 HG2 LYS 60 -13.417 1.506 -0.956 494 2HG LYS 60 HG1 LYS 60 -13.760 2.316 -2.485 495 1HD LYS 60 HD2 LYS 60 -15.020 0.466 -3.302 496 2HD LYS 60 HD1 LYS 60 -14.425 -0.597 -2.025 497 1HE LYS 60 HE2 LYS 60 -15.927 0.205 -0.483 498 2HE LYS 60 HE1 LYS 60 -15.841 1.861 -1.118 499 1HZ LYS 60 HZ1 LYS 60 -17.292 -0.454 -2.265 500 2HZ LYS 60 HZ2 LYS 60 -16.958 0.947 -3.165 501 3HZ LYS 60 HZ3 LYS 60 -17.934 1.037 -1.777 502 H TYR 61 HN TYR 61 -9.250 0.314 -1.845 503 HA TYR 61 HA TYR 61 -9.390 0.948 0.996 504 1HB TYR 61 HB2 TYR 61 -8.022 -0.873 -0.840 505 2HB TYR 61 HB1 TYR 61 -6.971 -0.319 0.464 506 HD1 TYR 61 HD1 TYR 61 -7.172 -1.219 2.633 507 HD2 TYR 61 HD2 TYR 61 -10.357 -1.755 -0.198 508 HE1 TYR 61 HE1 TYR 61 -8.315 -2.754 4.210 509 HE2 TYR 61 HE2 TYR 61 -11.501 -3.290 1.379 510 HH TYR 61 HH TYR 61 -10.286 -4.863 3.618 511 H ILE 62 HN ILE 62 -7.485 2.055 -1.758 512 HA ILE 62 HA ILE 62 -5.463 3.430 -0.184 513 HB ILE 62 HB ILE 62 -6.430 3.822 -3.040 514 1HG1 ILE 62 HG1 ILE 62 -4.025 2.227 -2.161 515 2HG1 ILE 62 HG1 ILE 62 -5.621 1.481 -2.251 516 1HG2 ILE 62 HG2 ILE 62 -4.640 5.347 -1.529 517 2HG2 ILE 62 HG2 ILE 62 -4.767 5.329 -3.288 518 3HG2 ILE 62 HG2 ILE 62 -3.607 4.277 -2.477 519 1HD1 ILE 62 HD1 ILE 62 -3.812 1.899 -4.381 520 2HD1 ILE 62 HD1 ILE 62 -5.135 3.038 -4.632 521 3HD1 ILE 62 HD1 ILE 62 -5.472 1.313 -4.491 522 H SER 63 HN SER 63 -8.451 4.431 -1.866 523 HA SER 63 HA SER 63 -8.258 7.222 -1.132 524 1HB SER 63 HB2 SER 63 -9.569 6.200 -3.024 525 2HB SER 63 HB1 SER 63 -10.679 5.528 -1.834 526 HG SER 63 HG SER 63 -11.619 7.406 -2.178 527 H LEU 64 HN LEU 64 -9.545 4.343 0.427 528 HA LEU 64 HA LEU 64 -11.070 5.815 2.449 529 1HB LEU 64 HB2 LEU 64 -10.349 2.988 1.779 530 2HB LEU 64 HB1 LEU 64 -10.919 3.331 3.413 531 HG LEU 64 HG LEU 64 -12.376 4.085 0.862 532 1HD1 LEU 64 HD1 LEU 64 -12.514 1.749 2.719 533 2HD1 LEU 64 HD1 LEU 64 -12.789 1.816 0.979 534 3HD1 LEU 64 HD1 LEU 64 -14.034 2.386 2.090 535 1HD2 LEU 64 HD2 LEU 64 -14.139 4.192 2.992 536 2HD2 LEU 64 HD2 LEU 64 -13.355 5.588 2.252 537 3HD2 LEU 64 HD2 LEU 64 -12.654 4.840 3.687 538 H LEU 65 HN LEU 65 -8.070 3.825 2.514 539 HA LEU 65 HA LEU 65 -7.357 4.237 5.206 540 1HB LEU 65 HB2 LEU 65 -6.038 3.557 2.648 541 2HB LEU 65 HB1 LEU 65 -4.953 4.216 3.872 542 HG LEU 65 HG LEU 65 -6.834 1.865 4.260 543 1HD1 LEU 65 HD1 LEU 65 -3.970 1.458 4.685 544 2HD1 LEU 65 HD1 LEU 65 -4.337 1.931 3.026 545 3HD1 LEU 65 HD1 LEU 65 -5.103 0.505 3.727 546 1HD2 LEU 65 HD2 LEU 65 -4.900 2.006 6.303 547 2HD2 LEU 65 HD2 LEU 65 -6.626 2.336 6.454 548 3HD2 LEU 65 HD2 LEU 65 -5.504 3.653 6.112 549 H LYS 66 HN LYS 66 -6.765 6.310 2.389 550 HA LYS 66 HA LYS 66 -6.072 8.564 2.248 551 1HB LYS 66 HB2 LYS 66 -7.704 8.197 4.699 552 2HB LYS 66 HB1 LYS 66 -6.787 9.700 4.609 553 1HG LYS 66 HG2 LYS 66 -8.417 8.762 2.257 554 2HG LYS 66 HG1 LYS 66 -9.177 9.651 3.577 555 1HD LYS 66 HD2 LYS 66 -6.693 10.916 2.760 556 2HD LYS 66 HD1 LYS 66 -7.804 10.758 1.399 557 1HE LYS 66 HE2 LYS 66 -9.541 11.950 2.559 558 2HE LYS 66 HE1 LYS 66 -8.644 11.886 4.089 559 1HZ LYS 66 HZ1 LYS 66 -7.946 13.366 1.621 560 2HZ LYS 66 HZ2 LYS 66 -6.790 13.025 2.819 561 3HZ LYS 66 HZ3 LYS 66 -8.145 13.980 3.190 562 H THR 67 HN THR 67 -3.814 8.575 2.231 563 HA THR 67 HA THR 67 -2.488 9.057 4.843 564 HB THR 67 HB THR 67 -1.592 7.044 2.765 565 HG1 THR 67 HG1 THR 67 -2.398 5.536 4.095 566 1HG2 THR 67 HG2 THR 67 0.326 6.785 3.957 567 2HG2 THR 67 HG2 THR 67 -0.499 6.982 5.504 568 3HG2 THR 67 HG2 THR 67 -0.040 8.400 4.562 569 HA PRO 68 HA PRO 68 -0.946 11.487 1.078 570 1HB PRO 68 HB2 PRO 68 -2.140 13.898 1.563 571 2HB PRO 68 HB1 PRO 68 -2.894 12.633 0.571 572 1HG PRO 68 HG2 PRO 68 -3.433 13.396 3.391 573 2HG PRO 68 HG1 PRO 68 -4.554 12.867 2.130 574 1HD PRO 68 HD2 PRO 68 -3.639 11.258 4.150 575 2HD PRO 68 HD1 PRO 68 -4.216 10.664 2.578 576 H LYS 69 HN LYS 69 1.121 12.102 1.640 577 HA LYS 69 HA LYS 69 1.584 13.328 4.305 578 1HB LYS 69 HB2 LYS 69 2.783 11.262 3.230 579 2HB LYS 69 HB1 LYS 69 3.688 12.478 2.329 580 1HG LYS 69 HG2 LYS 69 5.041 12.275 4.199 581 2HG LYS 69 HG1 LYS 69 3.966 13.568 4.735 582 1HD LYS 69 HD2 LYS 69 2.853 10.912 5.244 583 2HD LYS 69 HD1 LYS 69 4.394 11.165 6.063 584 1HE LYS 69 HE2 LYS 69 3.555 12.838 7.417 585 2HE LYS 69 HE1 LYS 69 2.402 13.393 6.188 586 1HZ LYS 69 HZ1 LYS 69 2.231 10.961 7.877 587 2HZ LYS 69 HZ2 LYS 69 1.285 11.169 6.480 588 3HZ LYS 69 HZ3 LYS 69 1.125 12.245 7.786 589 H GLN 70 HN GLN 70 0.708 15.462 3.557 590 HA GLN 70 HA GLN 70 2.110 16.888 1.416 591 1HB GLN 70 HB2 GLN 70 -0.332 17.097 2.231 592 2HB GLN 70 HB1 GLN 70 0.326 18.045 3.565 593 1HG GLN 70 HG2 GLN 70 1.456 19.515 1.852 594 2HG GLN 70 HG1 GLN 70 0.558 18.649 0.606 595 1HE2 GLN 70 HE2 GLN 70 -1.914 18.328 2.113 596 2HE2 GLN 70 HE2 GLN 70 -2.612 19.867 2.274 597 H LEU 71 HN LEU 71 1.840 17.386 4.963 598 HA LEU 71 HA LEU 71 4.069 19.275 4.989 599 1HB LEU 71 HB2 LEU 71 2.068 18.100 6.825 600 2HB LEU 71 HB1 LEU 71 3.596 18.546 7.587 601 HG LEU 71 HG LEU 71 2.705 20.597 5.726 602 1HD1 LEU 71 HD1 LEU 71 0.483 19.614 6.466 603 2HD1 LEU 71 HD1 LEU 71 0.712 21.319 6.857 604 3HD1 LEU 71 HD1 LEU 71 0.907 20.093 8.110 605 1HD2 LEU 71 HD2 LEU 71 2.709 21.618 8.312 606 2HD2 LEU 71 HD2 LEU 71 4.095 21.579 7.222 607 3HD2 LEU 71 HD2 LEU 71 3.863 20.287 8.399 Start of MODEL 6 1 1H THR 1 HT1 THR 1 20.837 -9.419 1.905 2 2H THR 1 HT2 THR 1 20.823 -10.893 1.058 3 3H THR 1 HT3 THR 1 21.987 -10.613 2.264 4 HA THR 1 HA THR 1 19.077 -11.085 2.610 5 HB THR 1 HB THR 1 21.489 -12.359 3.915 6 HG1 THR 1 HG1 THR 1 20.181 -13.325 1.608 7 1HG2 THR 1 HG2 THR 1 19.155 -12.719 4.813 8 2HG2 THR 1 HG2 THR 1 19.982 -14.194 4.309 9 3HG2 THR 1 HG2 THR 1 18.750 -13.474 3.271 10 H ARG 2 HN ARG 2 18.154 -9.831 4.172 11 HA ARG 2 HA ARG 2 17.924 -8.464 6.083 12 1HB ARG 2 HB2 ARG 2 19.529 -10.758 6.649 13 2HB ARG 2 HB1 ARG 2 20.207 -9.398 7.546 14 1HG ARG 2 HG2 ARG 2 18.530 -9.538 9.036 15 2HG ARG 2 HG1 ARG 2 17.357 -9.259 7.749 16 1HD ARG 2 HD2 ARG 2 17.119 -11.596 7.315 17 2HD ARG 2 HD1 ARG 2 18.563 -11.992 8.271 18 HE ARG 2 HE ARG 2 16.974 -10.666 10.086 19 1HH1 ARG 2 HH2 ARG 2 15.031 -12.028 7.924 20 2HH1 ARG 2 HH2 ARG 2 14.478 -13.356 8.890 21 1HH2 ARG 2 HH1 ARG 2 16.894 -12.928 11.340 22 2HH2 ARG 2 HH1 ARG 2 15.533 -13.866 10.822 23 H GLY 3 HN GLY 3 18.460 -6.379 5.397 24 1HA GLY 3 HA2 GLY 3 21.142 -5.416 6.138 25 2HA GLY 3 HA1 GLY 3 20.725 -5.246 4.430 26 H SER 4 HN SER 4 18.648 -4.069 3.974 27 HA SER 4 HA SER 4 18.309 -1.826 5.928 28 1HB SER 4 HB2 SER 4 18.424 -2.145 2.995 29 2HB SER 4 HB1 SER 4 17.162 -1.051 3.555 30 HG SER 4 HG SER 4 19.572 -0.380 3.226 31 H ASP 5 HN ASP 5 15.960 -0.846 5.677 32 HA ASP 5 HA ASP 5 14.053 -2.737 6.616 33 1HB ASP 5 HB2 ASP 5 13.981 0.044 5.456 34 2HB ASP 5 HB1 ASP 5 12.477 -0.776 5.876 35 H ILE 6 HN ILE 6 11.836 -2.980 5.355 36 HA ILE 6 HA ILE 6 12.415 -3.584 2.473 37 HB ILE 6 HB ILE 6 10.757 -5.213 4.424 38 1HG1 ILE 6 HG1 ILE 6 13.515 -5.838 3.323 39 2HG1 ILE 6 HG1 ILE 6 13.237 -5.165 4.930 40 1HG2 ILE 6 HG2 ILE 6 11.850 -6.443 1.982 41 2HG2 ILE 6 HG2 ILE 6 10.677 -5.162 1.675 42 3HG2 ILE 6 HG2 ILE 6 10.228 -6.550 2.665 43 1HD1 ILE 6 HD1 ILE 6 11.758 -7.641 4.088 44 2HD1 ILE 6 HD1 ILE 6 12.196 -7.105 5.710 45 3HD1 ILE 6 HD1 ILE 6 13.429 -7.770 4.640 46 H SER 7 HN SER 7 11.185 -1.187 3.348 47 HA SER 7 HA SER 7 8.316 -1.641 2.657 48 1HB SER 7 HB2 SER 7 9.765 0.435 4.310 49 2HB SER 7 HB1 SER 7 8.074 0.602 3.847 50 HG SER 7 HG SER 7 7.723 -1.449 4.863 51 H LYS 8 HN LYS 8 11.256 -0.381 1.488 52 HA LYS 8 HA LYS 8 9.825 1.458 -0.378 53 1HB LYS 8 HB2 LYS 8 11.670 2.185 1.337 54 2HB LYS 8 HB1 LYS 8 12.781 1.460 0.175 55 1HG LYS 8 HG2 LYS 8 11.910 2.908 -1.598 56 2HG LYS 8 HG1 LYS 8 10.740 3.604 -0.476 57 1HD LYS 8 HD2 LYS 8 12.375 4.751 0.731 58 2HD LYS 8 HD1 LYS 8 13.661 3.662 0.213 59 1HE LYS 8 HE2 LYS 8 12.549 4.868 -2.135 60 2HE LYS 8 HE1 LYS 8 12.918 6.154 -0.969 61 1HZ LYS 8 HZ1 LYS 8 14.871 5.507 -2.300 62 2HZ LYS 8 HZ2 LYS 8 14.760 3.931 -1.675 63 3HZ LYS 8 HZ3 LYS 8 15.102 5.237 -0.642 64 H THR 9 HN THR 9 9.923 -1.380 -0.851 65 HA THR 9 HA THR 9 11.868 -1.528 -3.131 66 HB THR 9 HB THR 9 12.266 -3.041 -1.185 67 HG1 THR 9 HG1 THR 9 12.086 -5.026 -2.518 68 1HG2 THR 9 HG2 THR 9 9.491 -4.005 -1.904 69 2HG2 THR 9 HG2 THR 9 10.039 -3.365 -0.355 70 3HG2 THR 9 HG2 THR 9 10.610 -4.939 -0.910 71 H CYS 10 HN CYS 10 10.947 -3.432 -4.686 72 HA CYS 10 HA CYS 10 8.394 -2.423 -5.709 73 1HB CYS 10 HB2 CYS 10 10.145 -4.753 -6.563 74 2HB CYS 10 HB1 CYS 10 8.906 -3.972 -7.539 75 H CYS 11 HN CYS 11 6.704 -4.162 -6.372 76 HA CYS 11 HA CYS 11 6.372 -6.127 -4.123 77 1HB CYS 11 HB2 CYS 11 4.487 -4.299 -5.607 78 2HB CYS 11 HB1 CYS 11 3.875 -5.720 -4.762 79 H PHE 12 HN PHE 12 6.566 -8.203 -4.895 80 HA PHE 12 HA PHE 12 5.866 -8.735 -7.744 81 1HB PHE 12 HB2 PHE 12 7.919 -9.580 -5.849 82 2HB PHE 12 HB1 PHE 12 7.156 -10.954 -6.648 83 HD1 PHE 12 HD1 PHE 12 7.934 -11.603 -8.753 84 HD2 PHE 12 HD2 PHE 12 8.534 -7.555 -7.447 85 HE1 PHE 12 HE1 PHE 12 9.244 -11.135 -10.806 86 HE2 PHE 12 HE2 PHE 12 9.842 -7.086 -9.501 87 HZ PHE 12 HZ PHE 12 10.197 -8.876 -11.181 88 H GLN 13 HN GLN 13 4.151 -8.718 -5.056 89 HA GLN 13 HA GLN 13 2.564 -11.093 -5.822 90 1HB GLN 13 HB2 GLN 13 4.497 -11.258 -3.857 91 2HB GLN 13 HB1 GLN 13 3.042 -10.903 -2.925 92 1HG GLN 13 HG2 GLN 13 2.031 -12.889 -3.477 93 2HG GLN 13 HG1 GLN 13 2.793 -12.956 -5.066 94 1HE2 GLN 13 HE2 GLN 13 3.617 -15.136 -4.768 95 2HE2 GLN 13 HE2 GLN 13 4.865 -15.477 -3.669 96 H TYR 14 HN TYR 14 0.362 -10.863 -5.192 97 HA TYR 14 HA TYR 14 -0.343 -8.423 -3.628 98 1HB TYR 14 HB2 TYR 14 -1.623 -9.316 -6.231 99 2HB TYR 14 HB1 TYR 14 -1.984 -7.840 -5.337 100 HD1 TYR 14 HD1 TYR 14 -0.439 -8.883 -8.182 101 HD2 TYR 14 HD2 TYR 14 0.470 -6.622 -4.644 102 HE1 TYR 14 HE1 TYR 14 1.375 -7.710 -9.399 103 HE2 TYR 14 HE2 TYR 14 2.286 -5.449 -5.862 104 HH TYR 14 HH TYR 14 2.560 -5.349 -9.100 105 H SER 15 HN SER 15 -1.986 -8.821 -2.160 106 HA SER 15 HA SER 15 -3.011 -11.538 -1.874 107 1HB SER 15 HB2 SER 15 -2.463 -9.458 -0.209 108 2HB SER 15 HB1 SER 15 -4.207 -9.270 -0.377 109 HG SER 15 HG SER 15 -3.071 -10.868 1.240 110 H HIS 16 HN HIS 16 -5.609 -11.290 -1.136 111 HA HIS 16 HA HIS 16 -7.139 -9.781 -3.164 112 1HB HIS 16 HB2 HIS 16 -8.143 -11.921 -4.026 113 2HB HIS 16 HB1 HIS 16 -6.423 -11.772 -4.381 114 HD1 HIS 16 HD1 HIS 16 -6.661 -14.509 -4.486 115 HD2 HIS 16 HD2 HIS 16 -6.928 -12.745 -0.717 116 HE1 HIS 16 HE1 HIS 16 -6.258 -16.355 -2.799 117 H LYS 17 HN LYS 17 -6.892 -10.237 -0.126 118 HA LYS 17 HA LYS 17 -9.771 -10.868 0.373 119 1HB LYS 17 HB2 LYS 17 -7.210 -11.641 1.733 120 2HB LYS 17 HB1 LYS 17 -8.681 -11.515 2.698 121 1HG LYS 17 HG2 LYS 17 -9.507 -12.916 0.445 122 2HG LYS 17 HG1 LYS 17 -7.899 -13.568 0.770 123 1HD LYS 17 HD2 LYS 17 -10.155 -13.346 2.786 124 2HD LYS 17 HD1 LYS 17 -9.615 -14.833 2.006 125 1HE LYS 17 HE2 LYS 17 -7.269 -13.699 3.058 126 2HE LYS 17 HE1 LYS 17 -8.492 -13.495 4.328 127 1HZ LYS 17 HZ1 LYS 17 -7.700 -15.671 4.609 128 2HZ LYS 17 HZ2 LYS 17 -7.695 -15.986 2.940 129 3HZ LYS 17 HZ3 LYS 17 -9.166 -15.860 3.778 130 HA PRO 18 HA PRO 18 -9.870 -6.806 2.101 131 1HB PRO 18 HB2 PRO 18 -12.114 -7.038 3.650 132 2HB PRO 18 HB1 PRO 18 -12.170 -6.900 1.881 133 1HG PRO 18 HG2 PRO 18 -12.447 -9.308 3.601 134 2HG PRO 18 HG1 PRO 18 -13.288 -8.886 2.102 135 1HD PRO 18 HD2 PRO 18 -11.214 -10.666 2.238 136 2HD PRO 18 HD1 PRO 18 -11.632 -9.739 0.781 137 H LEU 19 HN LEU 19 -8.248 -6.430 3.583 138 HA LEU 19 HA LEU 19 -7.793 -8.004 5.967 139 1HB LEU 19 HB2 LEU 19 -6.462 -6.151 4.408 140 2HB LEU 19 HB1 LEU 19 -6.795 -5.232 5.873 141 HG LEU 19 HG LEU 19 -5.884 -7.923 6.500 142 1HD1 LEU 19 HD1 LEU 19 -3.612 -6.368 5.449 143 2HD1 LEU 19 HD1 LEU 19 -4.705 -6.972 4.204 144 3HD1 LEU 19 HD1 LEU 19 -3.944 -8.097 5.328 145 1HD2 LEU 19 HD2 LEU 19 -4.615 -5.224 7.059 146 2HD2 LEU 19 HD2 LEU 19 -4.429 -6.706 7.998 147 3HD2 LEU 19 HD2 LEU 19 -5.978 -5.863 7.980 148 HA PRO 20 HA PRO 20 -10.658 -6.052 8.714 149 1HB PRO 20 HB2 PRO 20 -9.291 -6.252 11.085 150 2HB PRO 20 HB1 PRO 20 -10.090 -7.635 10.308 151 1HG PRO 20 HG2 PRO 20 -7.212 -6.848 10.269 152 2HG PRO 20 HG1 PRO 20 -7.938 -8.456 10.440 153 1HD PRO 20 HD2 PRO 20 -6.903 -7.580 8.106 154 2HD PRO 20 HD1 PRO 20 -8.294 -8.684 8.175 155 H TRP 21 HN TRP 21 -10.792 -3.856 8.327 156 HA TRP 21 HA TRP 21 -8.837 -1.927 8.109 157 1HB TRP 21 HB2 TRP 21 -11.632 -1.854 9.252 158 2HB TRP 21 HB1 TRP 21 -10.698 -0.380 8.989 159 HD1 TRP 21 HD1 TRP 21 -12.640 -3.046 7.187 160 HE1 TRP 21 HE1 TRP 21 -12.710 -2.510 4.664 161 HE3 TRP 21 HE3 TRP 21 -9.268 0.781 7.008 162 HZ2 TRP 21 HZ2 TRP 21 -11.487 -0.694 2.818 163 HZ3 TRP 21 HZ3 TRP 21 -8.741 1.895 4.858 164 HH2 TRP 21 HH2 TRP 21 -9.845 1.163 2.765 165 H THR 22 HN THR 22 -9.996 -3.336 11.134 166 HA THR 22 HA THR 22 -9.062 -1.403 12.984 167 HB THR 22 HB THR 22 -8.809 -3.503 14.440 168 HG1 THR 22 HG1 THR 22 -9.403 -5.416 13.493 169 1HG2 THR 22 HG2 THR 22 -11.228 -2.576 12.983 170 2HG2 THR 22 HG2 THR 22 -10.910 -2.635 14.718 171 3HG2 THR 22 HG2 THR 22 -11.370 -4.104 13.855 172 H TRP 23 HN TRP 23 -7.354 -4.119 11.441 173 HA TRP 23 HA TRP 23 -4.784 -3.342 12.660 174 1HB TRP 23 HB2 TRP 23 -5.969 -5.590 11.103 175 2HB TRP 23 HB1 TRP 23 -4.233 -5.346 10.932 176 HD1 TRP 23 HD1 TRP 23 -5.995 -4.541 14.218 177 HE1 TRP 23 HE1 TRP 23 -5.177 -6.187 16.025 178 HE3 TRP 23 HE3 TRP 23 -3.272 -7.747 11.322 179 HZ2 TRP 23 HZ2 TRP 23 -3.580 -8.553 16.216 180 HZ3 TRP 23 HZ3 TRP 23 -2.114 -9.687 12.340 181 HH2 TRP 23 HH2 TRP 23 -2.265 -10.094 14.781 182 H VAL 24 HN VAL 24 -6.563 -2.536 9.831 183 HA VAL 24 HA VAL 24 -4.221 -2.115 8.109 184 HB VAL 24 HB VAL 24 -7.088 -1.144 7.848 185 1HG1 VAL 24 HG1 VAL 24 -5.550 -1.885 5.457 186 2HG1 VAL 24 HG1 VAL 24 -4.868 -0.517 6.335 187 3HG1 VAL 24 HG1 VAL 24 -6.534 -0.453 5.760 188 1HG2 VAL 24 HG2 VAL 24 -6.631 -3.706 8.162 189 2HG2 VAL 24 HG2 VAL 24 -5.962 -3.611 6.536 190 3HG2 VAL 24 HG2 VAL 24 -7.649 -3.186 6.821 191 H ARG 25 HN ARG 25 -2.930 -0.314 8.305 192 HA ARG 25 HA ARG 25 -3.991 2.013 9.840 193 1HB ARG 25 HB2 ARG 25 -1.882 0.696 10.445 194 2HB ARG 25 HB1 ARG 25 -1.143 1.420 9.016 195 1HG ARG 25 HG2 ARG 25 -2.514 3.412 10.642 196 2HG ARG 25 HG1 ARG 25 -1.268 2.565 11.560 197 1HD ARG 25 HD2 ARG 25 0.428 3.140 9.938 198 2HD ARG 25 HD1 ARG 25 -0.789 3.779 8.817 199 HE ARG 25 HE ARG 25 -1.102 5.107 11.318 200 1HH1 ARG 25 HH2 ARG 25 -0.010 5.573 8.219 201 2HH1 ARG 25 HH2 ARG 25 1.121 6.829 8.598 202 1HH2 ARG 25 HH1 ARG 25 0.839 6.412 12.029 203 2HH2 ARG 25 HH1 ARG 25 1.602 7.303 10.755 204 H SER 26 HN SER 26 -2.325 1.229 6.758 205 HA SER 26 HA SER 26 -3.577 3.466 5.409 206 1HB SER 26 HB2 SER 26 -1.790 5.013 5.392 207 2HB SER 26 HB1 SER 26 -1.807 4.424 7.051 208 HG SER 26 HG SER 26 0.276 4.253 6.369 209 H TYR 27 HN TYR 27 -1.345 3.945 3.600 210 HA TYR 27 HA TYR 27 -0.645 1.278 2.538 211 1HB TYR 27 HB2 TYR 27 -1.873 1.551 0.508 212 2HB TYR 27 HB1 TYR 27 -2.988 2.010 1.790 213 HD1 TYR 27 HD1 TYR 27 -0.833 3.262 -0.935 214 HD2 TYR 27 HD2 TYR 27 -3.702 4.311 2.085 215 HE1 TYR 27 HE1 TYR 27 -1.116 5.492 -1.981 216 HE2 TYR 27 HE2 TYR 27 -3.986 6.540 1.038 217 HH TYR 27 HH TYR 27 -2.497 8.067 -0.470 218 H GLU 28 HN GLU 28 0.343 1.921 0.101 219 HA GLU 28 HA GLU 28 1.761 4.409 -0.108 220 1HB GLU 28 HB2 GLU 28 4.020 3.506 0.524 221 2HB GLU 28 HB1 GLU 28 2.904 3.580 1.887 222 1HG GLU 28 HG2 GLU 28 2.313 1.122 1.213 223 2HG GLU 28 HG1 GLU 28 3.850 1.173 0.351 224 H PHE 29 HN PHE 29 2.343 4.549 -2.247 225 HA PHE 29 HA PHE 29 2.143 2.165 -3.953 226 1HB PHE 29 HB2 PHE 29 1.767 4.942 -4.161 227 2HB PHE 29 HB1 PHE 29 3.153 4.592 -5.194 228 HD1 PHE 29 HD1 PHE 29 -0.289 4.886 -5.237 229 HD2 PHE 29 HD2 PHE 29 2.807 2.198 -6.518 230 HE1 PHE 29 HE1 PHE 29 -1.809 3.958 -6.963 231 HE2 PHE 29 HE2 PHE 29 1.287 1.270 -8.244 232 HZ PHE 29 HZ PHE 29 -1.020 2.151 -8.467 233 H THR 30 HN THR 30 3.884 1.183 -5.039 234 HA THR 30 HA THR 30 6.447 1.122 -3.858 235 HB THR 30 HB THR 30 6.964 0.313 -6.367 236 HG1 THR 30 HG1 THR 30 5.224 0.783 -7.475 237 1HG2 THR 30 HG2 THR 30 6.907 -1.170 -4.443 238 2HG2 THR 30 HG2 THR 30 5.943 -1.880 -5.737 239 3HG2 THR 30 HG2 THR 30 5.147 -1.079 -4.383 240 H SER 31 HN SER 31 8.525 1.793 -5.056 241 HA SER 31 HA SER 31 8.522 4.661 -5.462 242 1HB SER 31 HB2 SER 31 10.677 2.652 -6.162 243 2HB SER 31 HB1 SER 31 10.891 4.334 -5.684 244 HG SER 31 HG SER 31 10.353 2.077 -4.157 245 H ASN 32 HN ASN 32 10.030 5.287 -7.571 246 HA ASN 32 HA ASN 32 8.322 4.607 -9.889 247 1HB ASN 32 HB2 ASN 32 10.254 6.699 -9.051 248 2HB ASN 32 HB1 ASN 32 10.210 6.357 -10.780 249 1HD2 ASN 32 HD2 ASN 32 7.626 5.962 -11.432 250 2HD2 ASN 32 HD2 ASN 32 6.635 7.253 -10.949 251 H SER 33 HN SER 33 11.619 4.082 -8.728 252 HA SER 33 HA SER 33 12.817 3.175 -11.153 253 1HB SER 33 HB2 SER 33 14.179 3.684 -9.267 254 2HB SER 33 HB1 SER 33 13.238 2.637 -8.209 255 HG SER 33 HG SER 33 15.093 1.546 -8.770 256 H CYS 34 HN CYS 34 10.634 1.603 -8.898 257 HA CYS 34 HA CYS 34 11.101 -1.128 -9.509 258 1HB CYS 34 HB2 CYS 34 8.760 0.543 -8.627 259 2HB CYS 34 HB1 CYS 34 8.530 -1.176 -8.950 260 H SER 35 HN SER 35 10.357 -2.465 -11.181 261 HA SER 35 HA SER 35 9.507 -1.134 -13.666 262 1HB SER 35 HB2 SER 35 9.742 -4.100 -13.220 263 2HB SER 35 HB1 SER 35 10.154 -3.163 -14.653 264 HG SER 35 HG SER 35 11.907 -3.953 -13.151 265 H GLN 36 HN GLN 36 8.088 -3.098 -11.121 266 HA GLN 36 HA GLN 36 5.528 -3.282 -12.665 267 1HB GLN 36 HB2 GLN 36 7.074 -5.066 -11.069 268 2HB GLN 36 HB1 GLN 36 5.569 -4.762 -10.197 269 1HG GLN 36 HG2 GLN 36 5.473 -5.334 -13.143 270 2HG GLN 36 HG1 GLN 36 5.661 -6.670 -12.008 271 1HE2 GLN 36 HE2 GLN 36 3.462 -7.434 -12.539 272 2HE2 GLN 36 HE2 GLN 36 2.099 -6.625 -11.931 273 H ARG 37 HN ARG 37 4.776 -1.120 -12.160 274 HA ARG 37 HA ARG 37 4.767 0.099 -9.600 275 1HB ARG 37 HB2 ARG 37 3.103 0.255 -12.101 276 2HB ARG 37 HB1 ARG 37 2.620 1.188 -10.682 277 1HG ARG 37 HG2 ARG 37 4.465 2.562 -10.781 278 2HG ARG 37 HG1 ARG 37 5.489 1.312 -11.489 279 1HD ARG 37 HD2 ARG 37 5.166 2.336 -13.490 280 2HD ARG 37 HD1 ARG 37 3.480 1.785 -13.410 281 HE ARG 37 HE ARG 37 3.717 4.079 -11.752 282 1HH1 ARG 37 HH1 ARG 37 1.778 3.610 -14.082 283 2HH1 ARG 37 HH1 ARG 37 2.189 4.937 -15.117 284 1HH2 ARG 37 HH2 ARG 37 5.191 5.603 -13.514 285 2HH2 ARG 37 HH2 ARG 37 4.121 6.066 -14.795 286 H ALA 38 HN ALA 38 3.584 -0.327 -7.769 287 HA ALA 38 HA ALA 38 0.990 -1.725 -7.950 288 1HB ALA 38 HB1 ALA 38 3.089 -3.311 -7.901 289 2HB ALA 38 HB2 ALA 38 1.709 -3.679 -6.867 290 3HB ALA 38 HB3 ALA 38 3.132 -2.889 -6.190 291 H VAL 39 HN VAL 39 -0.104 -1.749 -5.810 292 HA VAL 39 HA VAL 39 0.759 0.567 -4.138 293 HB VAL 39 HB VAL 39 -1.846 -0.982 -4.346 294 1HG1 VAL 39 HG1 VAL 39 -2.810 0.780 -3.017 295 2HG1 VAL 39 HG1 VAL 39 -1.309 1.704 -3.053 296 3HG1 VAL 39 HG1 VAL 39 -1.393 0.190 -2.153 297 1HG2 VAL 39 HG2 VAL 39 -1.510 1.842 -5.268 298 2HG2 VAL 39 HG2 VAL 39 -2.567 0.577 -5.894 299 3HG2 VAL 39 HG2 VAL 39 -0.848 0.565 -6.289 300 H ILE 40 HN ILE 40 0.631 0.300 -1.755 301 HA ILE 40 HA ILE 40 0.813 -2.544 -0.844 302 HB ILE 40 HB ILE 40 2.673 -0.209 -0.333 303 1HG1 ILE 40 HG1 ILE 40 3.425 -2.947 -1.313 304 2HG1 ILE 40 HG1 ILE 40 2.808 -1.743 -2.443 305 1HG2 ILE 40 HG2 ILE 40 3.946 -1.831 1.085 306 2HG2 ILE 40 HG2 ILE 40 2.587 -2.949 0.951 307 3HG2 ILE 40 HG2 ILE 40 2.377 -1.395 1.762 308 1HD1 ILE 40 HD1 ILE 40 5.172 -1.462 -2.478 309 2HD1 ILE 40 HD1 ILE 40 5.288 -1.582 -0.723 310 3HD1 ILE 40 HD1 ILE 40 4.569 -0.151 -1.464 311 H PHE 41 HN PHE 41 -0.834 -2.745 0.638 312 HA PHE 41 HA PHE 41 -1.722 -0.413 2.228 313 1HB PHE 41 HB2 PHE 41 -2.661 -3.301 2.023 314 2HB PHE 41 HB1 PHE 41 -3.502 -2.024 2.904 315 HD1 PHE 41 HD1 PHE 41 -3.553 -3.783 -0.072 316 HD2 PHE 41 HD2 PHE 41 -3.677 0.258 1.377 317 HE1 PHE 41 HE1 PHE 41 -4.675 -3.065 -2.166 318 HE2 PHE 41 HE2 PHE 41 -4.796 0.976 -0.716 319 HZ PHE 41 HZ PHE 41 -5.295 -0.686 -2.486 320 H THR 42 HN THR 42 -0.865 -0.087 4.257 321 HA THR 42 HA THR 42 0.682 -2.325 5.477 322 HB THR 42 HB THR 42 1.902 -0.263 5.137 323 HG1 THR 42 HG1 THR 42 1.924 -1.420 7.280 324 1HG2 THR 42 HG2 THR 42 -0.643 0.906 5.876 325 2HG2 THR 42 HG2 THR 42 0.732 1.653 5.062 326 3HG2 THR 42 HG2 THR 42 0.667 1.606 6.824 327 H THR 43 HN THR 43 0.485 -2.602 7.853 328 HA THR 43 HA THR 43 -2.327 -2.102 8.747 329 HB THR 43 HB THR 43 -1.812 -4.133 10.202 330 HG1 THR 43 HG1 THR 43 0.350 -4.462 8.421 331 1HG2 THR 43 HG2 THR 43 -2.841 -4.003 7.752 332 2HG2 THR 43 HG2 THR 43 -2.506 -5.554 8.520 333 3HG2 THR 43 HG2 THR 43 -1.371 -4.889 7.346 334 H LYS 44 HN LYS 44 -2.159 -2.570 11.400 335 HA LYS 44 HA LYS 44 -0.757 -0.201 12.412 336 1HB LYS 44 HB2 LYS 44 -2.702 -2.252 13.436 337 2HB LYS 44 HB1 LYS 44 -1.916 -1.142 14.561 338 1HG LYS 44 HG2 LYS 44 -2.819 0.371 12.309 339 2HG LYS 44 HG1 LYS 44 -4.159 -0.632 12.866 340 1HD LYS 44 HD2 LYS 44 -3.318 0.206 15.253 341 2HD LYS 44 HD1 LYS 44 -2.701 1.553 14.295 342 1HE LYS 44 HE2 LYS 44 -4.831 2.260 13.668 343 2HE LYS 44 HE1 LYS 44 -5.531 0.639 13.846 344 1HZ LYS 44 HZ1 LYS 44 -4.898 0.874 16.284 345 2HZ LYS 44 HZ2 LYS 44 -6.231 1.781 15.746 346 3HZ LYS 44 HZ3 LYS 44 -4.723 2.532 15.972 347 H ARG 45 HN ARG 45 -0.260 -3.645 12.321 348 HA ARG 45 HA ARG 45 1.611 -3.738 14.573 349 1HB ARG 45 HB2 ARG 45 0.099 -5.590 13.740 350 2HB ARG 45 HB1 ARG 45 1.131 -5.708 12.315 351 1HG ARG 45 HG2 ARG 45 3.071 -5.915 14.070 352 2HG ARG 45 HG1 ARG 45 1.773 -6.377 15.173 353 1HD ARG 45 HD2 ARG 45 1.409 -7.780 12.685 354 2HD ARG 45 HD1 ARG 45 3.066 -8.039 13.265 355 HE ARG 45 HE ARG 45 1.533 -8.288 15.556 356 1HH1 ARG 45 HH2 ARG 45 -0.081 -9.229 12.883 357 2HH1 ARG 45 HH2 ARG 45 -0.056 -10.933 13.195 358 1HH2 ARG 45 HH1 ARG 45 2.255 -10.698 15.769 359 2HH2 ARG 45 HH1 ARG 45 1.265 -11.764 14.828 360 H GLY 46 HN GLY 46 1.781 -3.200 11.114 361 1HA GLY 46 HA2 GLY 46 3.830 -1.956 10.362 362 2HA GLY 46 HA1 GLY 46 4.763 -3.088 11.340 363 H LYS 47 HN LYS 47 2.189 -4.706 9.856 364 HA LYS 47 HA LYS 47 4.041 -6.022 7.981 365 1HB LYS 47 HB2 LYS 47 2.373 -7.149 9.538 366 2HB LYS 47 HB1 LYS 47 1.097 -6.515 8.499 367 1HG LYS 47 HG2 LYS 47 1.536 -8.719 7.698 368 2HG LYS 47 HG1 LYS 47 2.323 -7.633 6.552 369 1HD LYS 47 HD2 LYS 47 4.475 -7.965 7.672 370 2HD LYS 47 HD1 LYS 47 3.707 -8.992 8.883 371 1HE LYS 47 HE2 LYS 47 3.211 -10.694 7.264 372 2HE LYS 47 HE1 LYS 47 3.624 -9.617 5.914 373 1HZ LYS 47 HZ1 LYS 47 5.437 -10.732 7.975 374 2HZ LYS 47 HZ2 LYS 47 5.870 -9.401 7.013 375 3HZ LYS 47 HZ3 LYS 47 5.541 -10.905 6.292 376 H LYS 48 HN LYS 48 4.264 -5.128 5.955 377 HA LYS 48 HA LYS 48 2.158 -3.383 4.849 378 1HB LYS 48 HB2 LYS 48 4.741 -4.332 3.582 379 2HB LYS 48 HB1 LYS 48 3.827 -2.878 3.188 380 1HG LYS 48 HG2 LYS 48 5.189 -3.413 5.846 381 2HG LYS 48 HG1 LYS 48 5.819 -2.363 4.576 382 1HD LYS 48 HD2 LYS 48 3.957 -0.856 4.787 383 2HD LYS 48 HD1 LYS 48 3.100 -1.974 5.848 384 1HE LYS 48 HE2 LYS 48 4.544 -1.554 7.664 385 2HE LYS 48 HE1 LYS 48 5.825 -0.916 6.615 386 1HZ LYS 48 HZ1 LYS 48 3.235 0.332 7.314 387 2HZ LYS 48 HZ2 LYS 48 4.104 0.809 5.935 388 3HZ LYS 48 HZ3 LYS 48 4.794 0.980 7.479 389 H VAL 49 HN VAL 49 0.930 -3.879 2.991 390 HA VAL 49 HA VAL 49 1.138 -6.705 1.995 391 HB VAL 49 HB VAL 49 -1.277 -4.974 2.615 392 1HG1 VAL 49 HG1 VAL 49 -2.157 -7.553 2.072 393 2HG1 VAL 49 HG1 VAL 49 -0.948 -7.263 0.822 394 3HG1 VAL 49 HG1 VAL 49 -2.316 -6.165 0.997 395 1HG2 VAL 49 HG2 VAL 49 -0.599 -5.908 4.645 396 2HG2 VAL 49 HG2 VAL 49 0.048 -7.357 3.876 397 3HG2 VAL 49 HG2 VAL 49 -1.697 -7.151 4.043 398 H CYS 50 HN CYS 50 1.910 -6.522 -0.095 399 HA CYS 50 HA CYS 50 1.593 -4.165 -1.737 400 1HB CYS 50 HB2 CYS 50 2.405 -7.043 -2.227 401 2HB CYS 50 HB1 CYS 50 2.437 -5.826 -3.498 402 H THR 51 HN THR 51 0.338 -4.078 -3.761 403 HA THR 51 HA THR 51 -1.790 -6.058 -4.216 404 HB THR 51 HB THR 51 -3.460 -4.023 -3.946 405 HG1 THR 51 HG1 THR 51 -1.477 -3.351 -2.050 406 1HG2 THR 51 HG2 THR 51 -2.376 -5.148 -1.377 407 2HG2 THR 51 HG2 THR 51 -3.146 -6.211 -2.555 408 3HG2 THR 51 HG2 THR 51 -4.053 -4.876 -1.847 409 H HIS 52 HN HIS 52 -3.111 -5.387 -6.171 410 HA HIS 52 HA HIS 52 -1.386 -3.903 -8.074 411 1HB HIS 52 HB2 HIS 52 -2.768 -6.282 -8.172 412 2HB HIS 52 HB1 HIS 52 -3.862 -5.187 -9.018 413 HD1 HIS 52 HD1 HIS 52 -3.370 -6.008 -11.393 414 HD2 HIS 52 HD2 HIS 52 0.064 -4.852 -9.330 415 HE1 HIS 52 HE1 HIS 52 -1.495 -5.955 -13.095 416 HA PRO 53 HA PRO 53 -4.149 -0.445 -7.894 417 1HB PRO 53 HB2 PRO 53 -3.405 0.806 -10.210 418 2HB PRO 53 HB1 PRO 53 -2.415 0.831 -8.738 419 1HG PRO 53 HG2 PRO 53 -2.116 -0.822 -11.190 420 2HG PRO 53 HG1 PRO 53 -0.875 -0.080 -10.169 421 1HD PRO 53 HD2 PRO 53 -1.543 -2.731 -10.070 422 2HD PRO 53 HD1 PRO 53 -0.852 -1.831 -8.702 423 H ARG 54 HN ARG 54 -3.962 -2.556 -10.709 424 HA ARG 54 HA ARG 54 -6.208 -1.572 -12.177 425 1HB ARG 54 HB2 ARG 54 -4.366 -3.258 -12.800 426 2HB ARG 54 HB1 ARG 54 -5.334 -4.459 -11.943 427 1HG ARG 54 HG2 ARG 54 -6.179 -4.692 -14.095 428 2HG ARG 54 HG1 ARG 54 -7.288 -3.487 -13.440 429 1HD ARG 54 HD2 ARG 54 -6.498 -2.744 -15.644 430 2HD ARG 54 HD1 ARG 54 -5.800 -1.690 -14.398 431 HE ARG 54 HE ARG 54 -4.086 -3.957 -14.828 432 1HH1 ARG 54 HH2 ARG 54 -4.827 -2.895 -17.620 433 2HH1 ARG 54 HH2 ARG 54 -3.514 -1.803 -17.904 434 1HH2 ARG 54 HH1 ARG 54 -2.510 -1.725 -14.587 435 2HH2 ARG 54 HH1 ARG 54 -2.202 -1.140 -16.188 436 H LYS 55 HN LYS 55 -5.972 -3.809 -9.430 437 HA LYS 55 HA LYS 55 -8.704 -4.733 -9.532 438 1HB LYS 55 HB2 LYS 55 -6.349 -4.845 -7.760 439 2HB LYS 55 HB1 LYS 55 -7.895 -4.950 -6.916 440 1HG LYS 55 HG2 LYS 55 -7.467 -7.191 -7.446 441 2HG LYS 55 HG1 LYS 55 -8.515 -6.678 -8.770 442 1HD LYS 55 HD2 LYS 55 -6.784 -7.702 -9.942 443 2HD LYS 55 HD1 LYS 55 -6.237 -6.026 -9.926 444 1HE LYS 55 HE2 LYS 55 -4.324 -7.240 -9.215 445 2HE LYS 55 HE1 LYS 55 -5.044 -6.693 -7.688 446 1HZ LYS 55 HZ1 LYS 55 -6.293 -8.777 -7.594 447 2HZ LYS 55 HZ2 LYS 55 -4.618 -9.064 -7.602 448 3HZ LYS 55 HZ3 LYS 55 -5.532 -9.309 -9.013 449 H LYS 56 HN LYS 56 -10.494 -3.553 -9.066 450 HA LYS 56 HA LYS 56 -10.517 -0.851 -8.230 451 1HB LYS 56 HB2 LYS 56 -12.293 -2.333 -9.358 452 2HB LYS 56 HB1 LYS 56 -12.711 -2.867 -7.729 453 1HG LYS 56 HG2 LYS 56 -14.144 -1.069 -7.895 454 2HG LYS 56 HG1 LYS 56 -12.718 -0.233 -7.278 455 1HD LYS 56 HD2 LYS 56 -13.389 1.064 -9.142 456 2HD LYS 56 HD1 LYS 56 -12.057 0.082 -9.751 457 1HE LYS 56 HE2 LYS 56 -13.414 -0.907 -11.273 458 2HE LYS 56 HE1 LYS 56 -14.584 -1.338 -10.010 459 1HZ LYS 56 HZ1 LYS 56 -14.301 1.439 -10.989 460 2HZ LYS 56 HZ2 LYS 56 -15.591 0.753 -10.120 461 3HZ LYS 56 HZ3 LYS 56 -15.343 0.337 -11.749 462 H TRP 57 HN TRP 57 -10.995 -3.818 -6.278 463 HA TRP 57 HA TRP 57 -11.667 -2.648 -3.821 464 1HB TRP 57 HB2 TRP 57 -11.428 -4.812 -3.113 465 2HB TRP 57 HB1 TRP 57 -11.147 -5.150 -4.815 466 HD1 TRP 57 HD1 TRP 57 -8.786 -5.972 -5.514 467 HE1 TRP 57 HE1 TRP 57 -6.613 -6.490 -4.225 468 HE3 TRP 57 HE3 TRP 57 -9.979 -4.014 -0.952 469 HZ2 TRP 57 HZ2 TRP 57 -5.527 -6.118 -1.603 470 HZ3 TRP 57 HZ3 TRP 57 -8.360 -4.109 0.920 471 HH2 TRP 57 HH2 TRP 57 -6.138 -5.158 0.602 472 H VAL 58 HN VAL 58 -8.467 -2.952 -5.321 473 HA VAL 58 HA VAL 58 -6.916 -2.090 -3.056 474 HB VAL 58 HB VAL 58 -6.455 -1.895 -6.046 475 1HG1 VAL 58 HG1 VAL 58 -4.113 -1.672 -5.531 476 2HG1 VAL 58 HG1 VAL 58 -4.411 -1.943 -3.814 477 3HG1 VAL 58 HG1 VAL 58 -4.970 -0.457 -4.581 478 1HG2 VAL 58 HG2 VAL 58 -4.979 -3.971 -5.367 479 2HG2 VAL 58 HG2 VAL 58 -6.709 -4.179 -5.629 480 3HG2 VAL 58 HG2 VAL 58 -6.078 -4.052 -3.990 481 H GLN 59 HN GLN 59 -8.112 -0.298 -5.927 482 HA GLN 59 HA GLN 59 -7.154 2.272 -5.160 483 1HB GLN 59 HB2 GLN 59 -9.673 1.513 -6.687 484 2HB GLN 59 HB1 GLN 59 -8.809 3.046 -6.802 485 1HG GLN 59 HG2 GLN 59 -6.758 1.593 -7.461 486 2HG GLN 59 HG1 GLN 59 -7.946 0.327 -7.772 487 1HE2 GLN 59 HE2 GLN 59 -7.851 0.345 -10.085 488 2HE2 GLN 59 HE2 GLN 59 -8.294 1.694 -11.015 489 H LYS 60 HN LYS 60 -9.946 0.384 -4.197 490 HA LYS 60 HA LYS 60 -11.405 2.520 -2.918 491 1HB LYS 60 HB2 LYS 60 -12.009 0.059 -3.728 492 2HB LYS 60 HB1 LYS 60 -11.576 -0.347 -2.067 493 1HG LYS 60 HG2 LYS 60 -13.133 1.690 -1.469 494 2HG LYS 60 HG1 LYS 60 -13.811 1.387 -3.069 495 1HD LYS 60 HD2 LYS 60 -13.433 -0.888 -1.139 496 2HD LYS 60 HD1 LYS 60 -14.850 0.154 -1.012 497 1HE LYS 60 HE2 LYS 60 -14.110 -0.984 -3.698 498 2HE LYS 60 HE1 LYS 60 -14.986 -1.992 -2.529 499 1HZ LYS 60 HZ1 LYS 60 -16.500 -0.666 -3.918 500 2HZ LYS 60 HZ2 LYS 60 -15.777 0.758 -3.336 501 3HZ LYS 60 HZ3 LYS 60 -16.627 -0.262 -2.276 502 H TYR 61 HN TYR 61 -8.855 0.288 -1.902 503 HA TYR 61 HA TYR 61 -9.102 0.990 0.935 504 1HB TYR 61 HB2 TYR 61 -7.569 -0.817 -0.817 505 2HB TYR 61 HB1 TYR 61 -6.657 -0.216 0.567 506 HD1 TYR 61 HD1 TYR 61 -10.061 -1.577 -0.243 507 HD2 TYR 61 HD2 TYR 61 -6.839 -1.349 2.589 508 HE1 TYR 61 HE1 TYR 61 -11.253 -3.167 1.242 509 HE2 TYR 61 HE2 TYR 61 -8.031 -2.938 4.073 510 HH TYR 61 HH TYR 61 -10.930 -4.604 3.029 511 H ILE 62 HN ILE 62 -6.970 1.852 -1.772 512 HA ILE 62 HA ILE 62 -5.047 3.379 -0.341 513 HB ILE 62 HB ILE 62 -6.235 3.753 -3.113 514 1HG1 ILE 62 HG1 ILE 62 -3.722 2.300 -2.237 515 2HG1 ILE 62 HG1 ILE 62 -5.252 1.494 -2.587 516 1HG2 ILE 62 HG2 ILE 62 -3.427 4.480 -2.646 517 2HG2 ILE 62 HG2 ILE 62 -4.566 5.487 -1.754 518 3HG2 ILE 62 HG2 ILE 62 -4.685 5.364 -3.509 519 1HD1 ILE 62 HD1 ILE 62 -3.648 3.193 -4.522 520 2HD1 ILE 62 HD1 ILE 62 -5.209 2.453 -4.878 521 3HD1 ILE 62 HD1 ILE 62 -3.802 1.437 -4.566 522 H SER 63 HN SER 63 -8.202 4.317 -1.722 523 HA SER 63 HA SER 63 -8.004 7.099 -0.954 524 1HB SER 63 HB2 SER 63 -9.745 5.341 -2.370 525 2HB SER 63 HB1 SER 63 -10.710 6.158 -1.144 526 HG SER 63 HG SER 63 -10.581 7.880 -2.325 527 H LEU 64 HN LEU 64 -9.728 4.298 0.469 528 HA LEU 64 HA LEU 64 -10.805 5.705 2.716 529 1HB LEU 64 HB2 LEU 64 -10.381 2.932 1.791 530 2HB LEU 64 HB1 LEU 64 -10.494 3.108 3.543 531 HG LEU 64 HG LEU 64 -12.526 4.751 2.632 532 1HD1 LEU 64 HD1 LEU 64 -12.492 2.216 0.966 533 2HD1 LEU 64 HD1 LEU 64 -12.213 3.841 0.343 534 3HD1 LEU 64 HD1 LEU 64 -13.788 3.412 1.009 535 1HD2 LEU 64 HD2 LEU 64 -12.899 1.816 3.255 536 2HD2 LEU 64 HD2 LEU 64 -13.967 3.159 3.659 537 3HD2 LEU 64 HD2 LEU 64 -12.425 2.977 4.494 538 H LEU 65 HN LEU 65 -7.712 4.000 2.237 539 HA LEU 65 HA LEU 65 -6.867 4.363 5.011 540 1HB LEU 65 HB2 LEU 65 -5.662 3.406 2.423 541 2HB LEU 65 HB1 LEU 65 -4.627 3.677 3.820 542 HG LEU 65 HG LEU 65 -7.017 1.815 3.686 543 1HD1 LEU 65 HD1 LEU 65 -4.754 0.433 4.531 544 2HD1 LEU 65 HD1 LEU 65 -4.133 1.515 3.285 545 3HD1 LEU 65 HD1 LEU 65 -5.438 0.391 2.907 546 1HD2 LEU 65 HD2 LEU 65 -5.593 1.318 6.027 547 2HD2 LEU 65 HD2 LEU 65 -7.142 2.154 5.922 548 3HD2 LEU 65 HD2 LEU 65 -5.639 3.076 5.937 549 H LYS 66 HN LYS 66 -7.587 6.901 4.248 550 HA LYS 66 HA LYS 66 -6.766 9.110 4.008 551 1HB LYS 66 HB2 LYS 66 -5.514 7.967 5.989 552 2HB LYS 66 HB1 LYS 66 -4.136 7.923 4.888 553 1HG LYS 66 HG2 LYS 66 -3.697 10.073 5.372 554 2HG LYS 66 HG1 LYS 66 -5.271 10.528 4.717 555 1HD LYS 66 HD2 LYS 66 -5.957 9.481 7.165 556 2HD LYS 66 HD1 LYS 66 -4.415 10.260 7.520 557 1HE LYS 66 HE2 LYS 66 -5.286 12.351 7.256 558 2HE LYS 66 HE1 LYS 66 -6.224 11.872 5.826 559 1HZ LYS 66 HZ1 LYS 66 -6.908 10.887 8.528 560 2HZ LYS 66 HZ2 LYS 66 -7.879 10.913 7.136 561 3HZ LYS 66 HZ3 LYS 66 -7.521 12.359 7.952 562 H THR 67 HN THR 67 -6.800 9.254 1.678 563 HA THR 67 HA THR 67 -4.658 8.201 0.031 564 HB THR 67 HB THR 67 -6.251 10.442 -1.008 565 HG1 THR 67 HG1 THR 67 -8.121 9.833 -0.327 566 1HG2 THR 67 HG2 THR 67 -5.351 9.086 -2.658 567 2HG2 THR 67 HG2 THR 67 -6.961 8.382 -2.503 568 3HG2 THR 67 HG2 THR 67 -5.582 7.613 -1.715 569 HA PRO 68 HA PRO 68 -3.170 12.717 -0.028 570 1HB PRO 68 HB2 PRO 68 -4.296 14.523 1.684 571 2HB PRO 68 HB1 PRO 68 -4.944 14.198 0.065 572 1HG PRO 68 HG2 PRO 68 -5.930 13.309 2.708 573 2HG PRO 68 HG1 PRO 68 -6.825 13.669 1.226 574 1HD PRO 68 HD2 PRO 68 -6.204 11.130 2.171 575 2HD PRO 68 HD1 PRO 68 -6.709 11.524 0.515 576 H LYS 69 HN LYS 69 -1.738 11.065 1.260 577 HA LYS 69 HA LYS 69 -1.473 11.181 4.092 578 1HB LYS 69 HB2 LYS 69 -0.320 9.861 1.958 579 2HB LYS 69 HB1 LYS 69 1.007 10.871 2.533 580 1HG LYS 69 HG2 LYS 69 0.063 9.961 4.902 581 2HG LYS 69 HG1 LYS 69 -0.351 8.594 3.867 582 1HD LYS 69 HD2 LYS 69 2.100 8.863 2.979 583 2HD LYS 69 HD1 LYS 69 2.358 9.740 4.488 584 1HE LYS 69 HE2 LYS 69 2.671 7.711 5.465 585 2HE LYS 69 HE1 LYS 69 0.929 7.444 5.247 586 1HZ LYS 69 HZ1 LYS 69 1.946 5.703 4.079 587 2HZ LYS 69 HZ2 LYS 69 3.138 6.715 3.414 588 3HZ LYS 69 HZ3 LYS 69 1.531 6.824 2.877 589 H GLN 70 HN GLN 70 0.801 12.061 4.997 590 HA GLN 70 HA GLN 70 0.940 14.948 4.205 591 1HB GLN 70 HB2 GLN 70 1.399 13.419 6.777 592 2HB GLN 70 HB1 GLN 70 1.854 15.114 6.593 593 1HG GLN 70 HG2 GLN 70 -0.654 15.281 5.669 594 2HG GLN 70 HG1 GLN 70 -0.859 13.883 6.725 595 1HE2 GLN 70 HE2 GLN 70 1.072 16.924 7.028 596 2HE2 GLN 70 HE2 GLN 70 0.456 17.332 8.556 597 H LEU 71 HN LEU 71 2.747 11.990 4.471 598 HA LEU 71 HA LEU 71 5.315 13.475 4.062 599 1HB LEU 71 HB2 LEU 71 4.439 11.013 5.453 600 2HB LEU 71 HB1 LEU 71 5.969 10.870 4.586 601 HG LEU 71 HG LEU 71 6.334 11.625 6.909 602 1HD1 LEU 71 HD1 LEU 71 7.156 13.029 4.508 603 2HD1 LEU 71 HD1 LEU 71 8.095 12.654 5.953 604 3HD1 LEU 71 HD1 LEU 71 7.122 14.124 5.891 605 1HD2 LEU 71 HD2 LEU 71 5.398 13.640 7.756 606 2HD2 LEU 71 HD2 LEU 71 4.052 12.826 6.956 607 3HD2 LEU 71 HD2 LEU 71 4.876 14.164 6.156 Start of MODEL 7 1 1H THR 1 HT1 THR 1 13.563 5.537 12.402 2 2H THR 1 HT2 THR 1 14.608 6.871 12.519 3 3H THR 1 HT3 THR 1 14.165 6.011 13.915 4 HA THR 1 HA THR 1 15.890 5.046 11.694 5 HB THR 1 HB THR 1 16.300 5.590 14.654 6 HG1 THR 1 HG1 THR 1 16.424 7.522 13.785 7 1HG2 THR 1 HG2 THR 1 18.468 5.032 12.647 8 2HG2 THR 1 HG2 THR 1 17.626 3.696 13.431 9 3HG2 THR 1 HG2 THR 1 18.514 4.871 14.402 10 H ARG 2 HN ARG 2 15.696 2.871 11.358 11 HA ARG 2 HA ARG 2 15.135 0.605 11.737 12 1HB ARG 2 HB2 ARG 2 16.697 1.683 13.867 13 2HB ARG 2 HB1 ARG 2 15.513 0.590 14.584 14 1HG ARG 2 HG2 ARG 2 16.311 -1.262 13.416 15 2HG ARG 2 HG1 ARG 2 17.012 -0.277 12.133 16 1HD ARG 2 HD2 ARG 2 18.884 -1.043 13.410 17 2HD ARG 2 HD1 ARG 2 18.616 0.622 13.966 18 HE ARG 2 HE ARG 2 17.217 -1.561 15.418 19 1HH1 ARG 2 HH2 ARG 2 20.241 -1.382 15.890 20 2HH1 ARG 2 HH2 ARG 2 20.292 -0.377 17.300 21 1HH2 ARG 2 HH1 ARG 2 17.013 0.703 16.972 22 2HH2 ARG 2 HH1 ARG 2 18.463 0.803 17.913 23 H GLY 3 HN GLY 3 12.806 1.515 11.358 24 1HA GLY 3 HA2 GLY 3 11.106 0.472 13.504 25 2HA GLY 3 HA1 GLY 3 10.920 2.204 13.218 26 H SER 4 HN SER 4 10.684 2.728 10.749 27 HA SER 4 HA SER 4 9.145 0.612 9.321 28 1HB SER 4 HB2 SER 4 7.296 2.252 9.007 29 2HB SER 4 HB1 SER 4 7.559 1.878 10.708 30 HG SER 4 HG SER 4 7.372 4.181 10.067 31 H ASP 5 HN ASP 5 10.821 0.618 7.712 32 HA ASP 5 HA ASP 5 10.802 3.025 5.961 33 1HB ASP 5 HB2 ASP 5 13.015 1.828 7.515 34 2HB ASP 5 HB1 ASP 5 13.408 2.199 5.836 35 H ILE 6 HN ILE 6 9.607 0.263 5.812 36 HA ILE 6 HA ILE 6 11.169 -0.954 3.583 37 HB ILE 6 HB ILE 6 8.668 -1.939 4.995 38 1HG1 ILE 6 HG1 ILE 6 10.950 -3.361 5.881 39 2HG1 ILE 6 HG1 ILE 6 11.362 -1.650 6.003 40 1HG2 ILE 6 HG2 ILE 6 9.599 -4.163 4.258 41 2HG2 ILE 6 HG2 ILE 6 10.818 -3.284 3.335 42 3HG2 ILE 6 HG2 ILE 6 9.111 -3.116 2.926 43 1HD1 ILE 6 HD1 ILE 6 9.225 -3.191 7.414 44 2HD1 ILE 6 HD1 ILE 6 8.911 -1.499 7.032 45 3HD1 ILE 6 HD1 ILE 6 10.295 -1.934 8.034 46 H SER 7 HN SER 7 9.776 1.565 3.120 47 HA SER 7 HA SER 7 7.458 0.725 1.447 48 1HB SER 7 HB2 SER 7 7.346 2.515 3.278 49 2HB SER 7 HB1 SER 7 8.325 3.517 2.212 50 HG SER 7 HG SER 7 6.704 3.338 0.648 51 H LYS 8 HN LYS 8 10.675 1.030 0.977 52 HA LYS 8 HA LYS 8 10.409 2.463 -1.625 53 1HB LYS 8 HB2 LYS 8 12.400 2.290 0.524 54 2HB LYS 8 HB1 LYS 8 13.103 2.093 -1.082 55 1HG LYS 8 HG2 LYS 8 12.960 4.312 -1.407 56 2HG LYS 8 HG1 LYS 8 11.206 4.214 -1.237 57 1HD LYS 8 HD2 LYS 8 11.783 4.118 1.344 58 2HD LYS 8 HD1 LYS 8 13.273 4.903 0.820 59 1HE LYS 8 HE2 LYS 8 11.460 6.388 -0.558 60 2HE LYS 8 HE1 LYS 8 10.506 5.974 0.880 61 1HZ LYS 8 HZ1 LYS 8 12.183 6.787 2.298 62 2HZ LYS 8 HZ2 LYS 8 11.992 7.981 1.104 63 3HZ LYS 8 HZ3 LYS 8 13.312 6.914 1.039 64 H THR 9 HN THR 9 9.592 -0.326 -1.225 65 HA THR 9 HA THR 9 11.634 -1.696 -2.943 66 HB THR 9 HB THR 9 11.418 -2.512 -0.584 67 HG1 THR 9 HG1 THR 9 11.943 -4.284 -1.543 68 1HG2 THR 9 HG2 THR 9 9.361 -3.628 0.112 69 2HG2 THR 9 HG2 THR 9 8.614 -3.273 -1.445 70 3HG2 THR 9 HG2 THR 9 9.003 -1.959 -0.334 71 H CYS 10 HN CYS 10 10.606 -3.447 -4.334 72 HA CYS 10 HA CYS 10 8.230 -2.373 -5.683 73 1HB CYS 10 HB2 CYS 10 9.861 -4.895 -6.139 74 2HB CYS 10 HB1 CYS 10 8.761 -4.145 -7.291 75 H CYS 11 HN CYS 11 7.103 -4.887 -6.503 76 HA CYS 11 HA CYS 11 6.086 -6.041 -3.933 77 1HB CYS 11 HB2 CYS 11 4.654 -4.660 -6.173 78 2HB CYS 11 HB1 CYS 11 3.833 -5.990 -5.358 79 H PHE 12 HN PHE 12 6.004 -8.269 -4.023 80 HA PHE 12 HA PHE 12 5.908 -9.578 -6.701 81 1HB PHE 12 HB2 PHE 12 8.074 -9.444 -4.791 82 2HB PHE 12 HB1 PHE 12 7.561 -11.118 -5.002 83 HD1 PHE 12 HD1 PHE 12 7.981 -12.304 -7.032 84 HD2 PHE 12 HD2 PHE 12 8.711 -8.077 -6.805 85 HE1 PHE 12 HE1 PHE 12 9.148 -12.388 -9.219 86 HE2 PHE 12 HE2 PHE 12 9.878 -8.161 -8.991 87 HZ PHE 12 HZ PHE 12 10.097 -10.316 -10.198 88 H GLN 13 HN GLN 13 3.909 -9.174 -4.471 89 HA GLN 13 HA GLN 13 2.869 -11.893 -4.410 90 1HB GLN 13 HB2 GLN 13 3.071 -12.113 -1.925 91 2HB GLN 13 HB1 GLN 13 4.640 -12.067 -2.730 92 1HG GLN 13 HG2 GLN 13 4.162 -9.397 -2.289 93 2HG GLN 13 HG1 GLN 13 3.434 -10.135 -0.863 94 1HE2 GLN 13 HE2 GLN 13 6.338 -11.113 -2.765 95 2HE2 GLN 13 HE2 GLN 13 7.400 -11.069 -1.441 96 H TYR 14 HN TYR 14 0.856 -11.063 -5.039 97 HA TYR 14 HA TYR 14 -0.313 -8.762 -3.616 98 1HB TYR 14 HB2 TYR 14 -1.395 -10.585 -5.790 99 2HB TYR 14 HB1 TYR 14 -2.067 -9.024 -5.316 100 HD1 TYR 14 HD1 TYR 14 -0.983 -6.938 -5.937 101 HD2 TYR 14 HD2 TYR 14 0.764 -10.726 -6.966 102 HE1 TYR 14 HE1 TYR 14 0.578 -5.797 -7.490 103 HE2 TYR 14 HE2 TYR 14 2.324 -9.583 -8.518 104 HH TYR 14 HH TYR 14 2.082 -7.088 -9.859 105 H SER 15 HN SER 15 -2.036 -8.918 -2.160 106 HA SER 15 HA SER 15 -2.510 -11.545 -0.937 107 1HB SER 15 HB2 SER 15 -3.807 -10.114 0.660 108 2HB SER 15 HB1 SER 15 -2.160 -9.542 0.412 109 HG SER 15 HG SER 15 -3.654 -7.837 0.246 110 H HIS 16 HN HIS 16 -4.379 -9.116 -2.753 111 HA HIS 16 HA HIS 16 -6.470 -9.283 -3.834 112 1HB HIS 16 HB2 HIS 16 -5.000 -11.330 -4.631 113 2HB HIS 16 HB1 HIS 16 -6.166 -12.268 -3.696 114 HD1 HIS 16 HD1 HIS 16 -6.588 -9.271 -6.032 115 HD2 HIS 16 HD2 HIS 16 -8.100 -13.114 -5.469 116 HE1 HIS 16 HE1 HIS 16 -8.396 -9.590 -7.775 117 H LYS 17 HN LYS 17 -6.787 -8.879 -1.152 118 HA LYS 17 HA LYS 17 -9.326 -10.212 -0.610 119 1HB LYS 17 HB2 LYS 17 -8.566 -11.380 1.403 120 2HB LYS 17 HB1 LYS 17 -7.601 -11.907 0.025 121 1HG LYS 17 HG2 LYS 17 -5.851 -10.239 0.672 122 2HG LYS 17 HG1 LYS 17 -6.797 -9.859 2.112 123 1HD LYS 17 HD2 LYS 17 -5.934 -12.681 1.465 124 2HD LYS 17 HD1 LYS 17 -4.922 -11.587 2.407 125 1HE LYS 17 HE2 LYS 17 -6.441 -11.512 4.197 126 2HE LYS 17 HE1 LYS 17 -7.809 -12.008 3.180 127 1HZ LYS 17 HZ1 LYS 17 -5.448 -13.746 3.585 128 2HZ LYS 17 HZ2 LYS 17 -6.983 -14.174 2.997 129 3HZ LYS 17 HZ3 LYS 17 -6.775 -13.793 4.640 130 HA PRO 18 HA PRO 18 -9.829 -6.450 1.623 131 1HB PRO 18 HB2 PRO 18 -11.823 -7.150 3.359 132 2HB PRO 18 HB1 PRO 18 -12.101 -6.875 1.627 133 1HG PRO 18 HG2 PRO 18 -11.809 -9.435 3.115 134 2HG PRO 18 HG1 PRO 18 -12.894 -9.023 1.779 135 1HD PRO 18 HD2 PRO 18 -10.604 -10.468 1.462 136 2HD PRO 18 HD1 PRO 18 -11.308 -9.452 0.184 137 H LEU 19 HN LEU 19 -8.115 -5.960 2.967 138 HA LEU 19 HA LEU 19 -7.210 -7.638 5.141 139 1HB LEU 19 HB2 LEU 19 -5.956 -5.892 3.745 140 2HB LEU 19 HB1 LEU 19 -6.764 -4.668 4.722 141 HG LEU 19 HG LEU 19 -5.839 -5.849 6.771 142 1HD1 LEU 19 HD1 LEU 19 -3.948 -7.361 6.436 143 2HD1 LEU 19 HD1 LEU 19 -4.094 -7.197 4.686 144 3HD1 LEU 19 HD1 LEU 19 -5.363 -8.005 5.605 145 1HD2 LEU 19 HD2 LEU 19 -3.426 -5.092 5.262 146 2HD2 LEU 19 HD2 LEU 19 -4.114 -4.372 6.718 147 3HD2 LEU 19 HD2 LEU 19 -4.741 -3.923 5.132 148 HA PRO 20 HA PRO 20 -10.201 -6.415 8.170 149 1HB PRO 20 HB2 PRO 20 -8.754 -6.959 10.441 150 2HB PRO 20 HB1 PRO 20 -9.520 -8.216 9.448 151 1HG PRO 20 HG2 PRO 20 -6.682 -7.297 9.471 152 2HG PRO 20 HG1 PRO 20 -7.329 -8.942 9.383 153 1HD PRO 20 HD2 PRO 20 -6.416 -7.648 7.208 154 2HD PRO 20 HD1 PRO 20 -7.780 -8.787 7.124 155 H TRP 21 HN TRP 21 -10.521 -4.225 8.271 156 HA TRP 21 HA TRP 21 -8.685 -2.143 8.398 157 1HB TRP 21 HB2 TRP 21 -11.442 -2.430 9.620 158 2HB TRP 21 HB1 TRP 21 -10.618 -0.883 9.410 159 HD1 TRP 21 HD1 TRP 21 -12.413 -3.610 7.503 160 HE1 TRP 21 HE1 TRP 21 -12.727 -2.871 5.052 161 HE3 TRP 21 HE3 TRP 21 -9.538 0.610 7.479 162 HZ2 TRP 21 HZ2 TRP 21 -11.866 -0.769 3.313 163 HZ3 TRP 21 HZ3 TRP 21 -9.304 1.960 5.414 164 HH2 TRP 21 HH2 TRP 21 -10.464 1.276 3.332 165 H THR 22 HN THR 22 -9.930 -4.068 11.101 166 HA THR 22 HA THR 22 -9.018 -2.531 13.287 167 HB THR 22 HB THR 22 -8.686 -5.011 14.197 168 HG1 THR 22 HG1 THR 22 -8.651 -6.022 12.216 169 1HG2 THR 22 HG2 THR 22 -11.481 -4.787 13.485 170 2HG2 THR 22 HG2 THR 22 -10.837 -3.212 13.949 171 3HG2 THR 22 HG2 THR 22 -10.718 -4.577 15.061 172 H TRP 23 HN TRP 23 -7.243 -4.533 11.020 173 HA TRP 23 HA TRP 23 -4.717 -4.088 12.547 174 1HB TRP 23 HB2 TRP 23 -5.862 -6.193 10.791 175 2HB TRP 23 HB1 TRP 23 -4.131 -5.915 10.631 176 HD1 TRP 23 HD1 TRP 23 -5.923 -5.477 13.975 177 HE1 TRP 23 HE1 TRP 23 -5.059 -7.271 15.614 178 HE3 TRP 23 HE3 TRP 23 -3.085 -8.277 10.790 179 HZ2 TRP 23 HZ2 TRP 23 -3.383 -9.592 15.574 180 HZ3 TRP 23 HZ3 TRP 23 -1.867 -10.272 11.612 181 HH2 TRP 23 HH2 TRP 23 -2.013 -10.934 13.997 182 H VAL 24 HN VAL 24 -6.455 -2.852 9.926 183 HA VAL 24 HA VAL 24 -4.127 -2.381 8.183 184 HB VAL 24 HB VAL 24 -6.972 -1.342 8.060 185 1HG1 VAL 24 HG1 VAL 24 -5.203 -1.813 5.690 186 2HG1 VAL 24 HG1 VAL 24 -4.943 -0.362 6.657 187 3HG1 VAL 24 HG1 VAL 24 -6.509 -0.646 5.895 188 1HG2 VAL 24 HG2 VAL 24 -6.016 -3.998 7.831 189 2HG2 VAL 24 HG2 VAL 24 -6.337 -3.447 6.187 190 3HG2 VAL 24 HG2 VAL 24 -7.617 -3.400 7.396 191 H ARG 25 HN ARG 25 -3.052 -0.394 8.000 192 HA ARG 25 HA ARG 25 -3.926 1.761 9.899 193 1HB ARG 25 HB2 ARG 25 -1.829 0.328 10.379 194 2HB ARG 25 HB1 ARG 25 -1.091 1.191 9.029 195 1HG ARG 25 HG2 ARG 25 -1.728 3.352 10.179 196 2HG ARG 25 HG1 ARG 25 -2.201 2.391 11.580 197 1HD ARG 25 HD2 ARG 25 0.194 1.366 11.410 198 2HD ARG 25 HD1 ARG 25 0.556 2.797 10.424 199 HE ARG 25 HE ARG 25 -0.865 3.364 12.935 200 1HH1 ARG 25 HH1 ARG 25 0.874 5.361 11.561 201 2HH1 ARG 25 HH1 ARG 25 2.303 5.344 12.541 202 1HH2 ARG 25 HH2 ARG 25 1.525 2.340 14.089 203 2HH2 ARG 25 HH2 ARG 25 2.671 3.633 13.971 204 H SER 26 HN SER 26 -2.346 1.052 6.770 205 HA SER 26 HA SER 26 -3.534 3.359 5.504 206 1HB SER 26 HB2 SER 26 -1.758 4.896 5.539 207 2HB SER 26 HB1 SER 26 -1.705 4.224 7.163 208 HG SER 26 HG SER 26 0.233 3.594 6.697 209 H TYR 27 HN TYR 27 -1.377 3.862 3.649 210 HA TYR 27 HA TYR 27 -0.720 1.203 2.515 211 1HB TYR 27 HB2 TYR 27 -2.001 1.535 0.539 212 2HB TYR 27 HB1 TYR 27 -3.066 2.065 1.836 213 HD1 TYR 27 HD1 TYR 27 -3.077 4.590 2.418 214 HD2 TYR 27 HD2 TYR 27 -1.440 2.993 -1.216 215 HE1 TYR 27 HE1 TYR 27 -3.219 6.832 1.367 216 HE2 TYR 27 HE2 TYR 27 -1.585 5.231 -2.268 217 HH TYR 27 HH TYR 27 -2.743 7.303 -2.027 218 H GLU 28 HN GLU 28 0.188 1.945 0.050 219 HA GLU 28 HA GLU 28 1.687 4.388 -0.088 220 1HB GLU 28 HB2 GLU 28 3.935 3.386 0.418 221 2HB GLU 28 HB1 GLU 28 2.871 3.416 1.824 222 1HG GLU 28 HG2 GLU 28 2.174 1.019 1.023 223 2HG GLU 28 HG1 GLU 28 3.694 1.072 0.131 224 H PHE 29 HN PHE 29 2.370 4.599 -2.210 225 HA PHE 29 HA PHE 29 1.901 2.360 -4.054 226 1HB PHE 29 HB2 PHE 29 2.055 5.236 -4.076 227 2HB PHE 29 HB1 PHE 29 3.126 4.592 -5.321 228 HD1 PHE 29 HD1 PHE 29 2.230 3.046 -7.070 229 HD2 PHE 29 HD2 PHE 29 -0.329 5.045 -4.258 230 HE1 PHE 29 HE1 PHE 29 0.267 2.544 -8.500 231 HE2 PHE 29 HE2 PHE 29 -2.293 4.543 -5.689 232 HZ PHE 29 HZ PHE 29 -1.994 3.292 -7.809 233 H THR 30 HN THR 30 3.508 1.228 -5.183 234 HA THR 30 HA THR 30 6.048 0.779 -4.068 235 HB THR 30 HB THR 30 6.476 0.114 -6.618 236 HG1 THR 30 HG1 THR 30 4.840 1.098 -7.621 237 1HG2 THR 30 HG2 THR 30 4.448 -1.118 -4.742 238 2HG2 THR 30 HG2 THR 30 6.149 -1.548 -4.918 239 3HG2 THR 30 HG2 THR 30 5.008 -1.912 -6.213 240 H SER 31 HN SER 31 8.200 1.465 -4.849 241 HA SER 31 HA SER 31 8.450 4.303 -5.202 242 1HB SER 31 HB2 SER 31 10.868 3.565 -5.717 243 2HB SER 31 HB1 SER 31 10.207 3.088 -4.156 244 HG SER 31 HG SER 31 11.275 1.476 -5.750 245 H ASN 32 HN ASN 32 9.536 5.336 -7.119 246 HA ASN 32 HA ASN 32 8.199 4.588 -9.598 247 1HB ASN 32 HB2 ASN 32 9.375 6.601 -10.424 248 2HB ASN 32 HB1 ASN 32 8.618 6.911 -8.861 249 1HD2 ASN 32 HD2 ASN 32 11.243 7.928 -10.296 250 2HD2 ASN 32 HD2 ASN 32 12.405 7.807 -9.065 251 H SER 33 HN SER 33 10.989 3.401 -8.124 252 HA SER 33 HA SER 33 12.333 2.859 -10.730 253 1HB SER 33 HB2 SER 33 13.252 3.841 -8.325 254 2HB SER 33 HB1 SER 33 13.665 2.133 -8.206 255 HG SER 33 HG SER 33 15.209 2.513 -9.565 256 H CYS 34 HN CYS 34 9.976 1.363 -10.033 257 HA CYS 34 HA CYS 34 11.163 -1.324 -9.405 258 1HB CYS 34 HB2 CYS 34 8.675 0.123 -8.598 259 2HB CYS 34 HB1 CYS 34 8.572 -1.626 -8.793 260 H SER 35 HN SER 35 10.510 -3.052 -10.757 261 HA SER 35 HA SER 35 9.512 -2.292 -13.414 262 1HB SER 35 HB2 SER 35 11.157 -4.263 -12.256 263 2HB SER 35 HB1 SER 35 9.762 -5.135 -12.885 264 HG SER 35 HG SER 35 11.700 -4.529 -14.312 265 H GLN 36 HN GLN 36 8.200 -3.597 -10.471 266 HA GLN 36 HA GLN 36 5.677 -4.349 -11.909 267 1HB GLN 36 HB2 GLN 36 7.318 -5.522 -9.770 268 2HB GLN 36 HB1 GLN 36 5.600 -5.458 -9.372 269 1HG GLN 36 HG2 GLN 36 5.685 -7.478 -10.512 270 2HG GLN 36 HG1 GLN 36 5.328 -6.377 -11.843 271 1HE2 GLN 36 HE2 GLN 36 7.553 -8.743 -10.756 272 2HE2 GLN 36 HE2 GLN 36 8.784 -8.439 -11.884 273 H ARG 37 HN ARG 37 4.814 -2.169 -11.806 274 HA ARG 37 HA ARG 37 4.690 -0.577 -9.424 275 1HB ARG 37 HB2 ARG 37 4.162 -0.231 -12.045 276 2HB ARG 37 HB1 ARG 37 2.514 -0.474 -11.462 277 1HG ARG 37 HG2 ARG 37 2.530 1.452 -10.187 278 2HG ARG 37 HG1 ARG 37 4.275 1.390 -9.926 279 1HD ARG 37 HD2 ARG 37 4.703 2.143 -12.201 280 2HD ARG 37 HD1 ARG 37 2.974 2.052 -12.594 281 HE ARG 37 HE ARG 37 4.233 4.215 -11.161 282 1HH1 ARG 37 HH2 ARG 37 1.336 3.095 -12.342 283 2HH1 ARG 37 HH2 ARG 37 0.333 3.877 -11.165 284 1HH2 ARG 37 HH1 ARG 37 2.988 4.843 -9.154 285 2HH2 ARG 37 HH1 ARG 37 1.269 4.866 -9.361 286 H ALA 38 HN ALA 38 3.328 -0.755 -7.662 287 HA ALA 38 HA ALA 38 0.699 -2.016 -7.863 288 1HB ALA 38 HB1 ALA 38 1.587 -3.738 -6.040 289 2HB ALA 38 HB2 ALA 38 3.132 -3.422 -6.831 290 3HB ALA 38 HB3 ALA 38 1.781 -4.071 -7.761 291 H VAL 39 HN VAL 39 -0.593 -1.392 -6.109 292 HA VAL 39 HA VAL 39 0.528 0.591 -4.255 293 HB VAL 39 HB VAL 39 -2.226 -0.680 -4.432 294 1HG1 VAL 39 HG1 VAL 39 -2.229 2.040 -3.555 295 2HG1 VAL 39 HG1 VAL 39 -1.043 1.164 -2.589 296 3HG1 VAL 39 HG1 VAL 39 -2.715 0.606 -2.650 297 1HG2 VAL 39 HG2 VAL 39 -2.114 1.987 -5.463 298 2HG2 VAL 39 HG2 VAL 39 -2.526 0.506 -6.325 299 3HG2 VAL 39 HG2 VAL 39 -0.849 1.045 -6.252 300 H ILE 40 HN ILE 40 0.612 0.307 -1.947 301 HA ILE 40 HA ILE 40 0.397 -2.540 -1.039 302 HB ILE 40 HB ILE 40 2.449 -0.397 -0.426 303 1HG1 ILE 40 HG1 ILE 40 3.290 -3.020 -1.439 304 2HG1 ILE 40 HG1 ILE 40 2.274 -2.126 -2.569 305 1HG2 ILE 40 HG2 ILE 40 1.587 -2.526 1.207 306 2HG2 ILE 40 HG2 ILE 40 3.045 -1.554 1.408 307 3HG2 ILE 40 HG2 ILE 40 3.107 -3.057 0.488 308 1HD1 ILE 40 HD1 ILE 40 3.812 -0.430 -2.827 309 2HD1 ILE 40 HD1 ILE 40 4.922 -1.753 -2.464 310 3HD1 ILE 40 HD1 ILE 40 4.453 -0.621 -1.194 311 H PHE 41 HN PHE 41 -0.741 -2.836 0.833 312 HA PHE 41 HA PHE 41 -1.724 -0.412 2.285 313 1HB PHE 41 HB2 PHE 41 -2.752 -3.267 2.076 314 2HB PHE 41 HB1 PHE 41 -3.547 -1.972 2.974 315 HD1 PHE 41 HD1 PHE 41 -3.792 0.302 1.516 316 HD2 PHE 41 HD2 PHE 41 -3.551 -3.682 -0.068 317 HE1 PHE 41 HE1 PHE 41 -4.905 1.064 -0.565 318 HE2 PHE 41 HE2 PHE 41 -4.665 -2.921 -2.150 319 HZ PHE 41 HZ PHE 41 -5.341 -0.548 -2.398 320 H THR 42 HN THR 42 -0.743 -0.108 4.272 321 HA THR 42 HA THR 42 0.780 -2.365 5.435 322 HB THR 42 HB THR 42 1.900 -0.221 5.228 323 HG1 THR 42 HG1 THR 42 1.938 -1.534 7.317 324 1HG2 THR 42 HG2 THR 42 0.518 1.413 7.078 325 2HG2 THR 42 HG2 THR 42 -0.685 0.763 5.968 326 3HG2 THR 42 HG2 THR 42 0.695 1.658 5.342 327 H THR 43 HN THR 43 0.559 -2.869 7.730 328 HA THR 43 HA THR 43 -2.273 -2.632 8.631 329 HB THR 43 HB THR 43 -1.602 -4.628 10.020 330 HG1 THR 43 HG1 THR 43 0.505 -4.625 10.255 331 1HG2 THR 43 HG2 THR 43 -0.772 -5.352 7.270 332 2HG2 THR 43 HG2 THR 43 -2.314 -4.510 7.405 333 3HG2 THR 43 HG2 THR 43 -2.057 -6.023 8.273 334 H LYS 44 HN LYS 44 -1.982 -3.206 11.310 335 HA LYS 44 HA LYS 44 -1.001 -0.649 12.373 336 1HB LYS 44 HB2 LYS 44 -2.914 -2.694 13.000 337 2HB LYS 44 HB1 LYS 44 -1.869 -2.448 14.400 338 1HG LYS 44 HG2 LYS 44 -2.651 -0.340 14.776 339 2HG LYS 44 HG1 LYS 44 -2.756 0.032 13.054 340 1HD LYS 44 HD2 LYS 44 -4.771 -1.522 12.965 341 2HD LYS 44 HD1 LYS 44 -4.730 -1.533 14.729 342 1HE LYS 44 HE2 LYS 44 -5.168 0.811 14.859 343 2HE LYS 44 HE1 LYS 44 -4.828 1.042 13.132 344 1HZ LYS 44 HZ1 LYS 44 -7.170 0.894 13.335 345 2HZ LYS 44 HZ2 LYS 44 -7.075 -0.464 14.350 346 3HZ LYS 44 HZ3 LYS 44 -6.657 -0.596 12.709 347 H ARG 45 HN ARG 45 0.052 -3.999 12.293 348 HA ARG 45 HA ARG 45 1.967 -3.711 14.490 349 1HB ARG 45 HB2 ARG 45 0.684 -5.790 13.570 350 2HB ARG 45 HB1 ARG 45 1.973 -5.850 12.366 351 1HG ARG 45 HG2 ARG 45 3.167 -5.436 14.935 352 2HG ARG 45 HG1 ARG 45 2.046 -6.792 15.058 353 1HD ARG 45 HD2 ARG 45 3.237 -7.392 12.689 354 2HD ARG 45 HD1 ARG 45 4.577 -6.581 13.524 355 HE ARG 45 HE ARG 45 3.304 -8.335 15.375 356 1HH1 ARG 45 HH1 ARG 45 3.265 -10.238 13.135 357 2HH1 ARG 45 HH1 ARG 45 4.847 -10.942 13.187 358 1HH2 ARG 45 HH2 ARG 45 6.184 -8.446 15.186 359 2HH2 ARG 45 HH2 ARG 45 6.498 -9.931 14.353 360 H GLY 46 HN GLY 46 1.970 -3.014 11.098 361 1HA GLY 46 HA2 GLY 46 3.860 -1.584 10.315 362 2HA GLY 46 HA1 GLY 46 4.935 -2.644 11.224 363 H LYS 47 HN LYS 47 2.555 -4.551 9.826 364 HA LYS 47 HA LYS 47 4.445 -5.614 7.860 365 1HB LYS 47 HB2 LYS 47 1.785 -6.281 9.037 366 2HB LYS 47 HB1 LYS 47 2.152 -6.969 7.454 367 1HG LYS 47 HG2 LYS 47 4.504 -7.329 8.914 368 2HG LYS 47 HG1 LYS 47 3.221 -7.691 10.068 369 1HD LYS 47 HD2 LYS 47 2.622 -9.589 8.980 370 2HD LYS 47 HD1 LYS 47 2.759 -8.827 7.395 371 1HE LYS 47 HE2 LYS 47 5.095 -9.242 7.269 372 2HE LYS 47 HE1 LYS 47 5.210 -9.569 9.010 373 1HZ LYS 47 HZ1 LYS 47 4.053 -11.560 8.796 374 2HZ LYS 47 HZ2 LYS 47 5.069 -11.567 7.434 375 3HZ LYS 47 HZ3 LYS 47 3.427 -11.160 7.272 376 H LYS 48 HN LYS 48 4.245 -5.412 5.596 377 HA LYS 48 HA LYS 48 2.189 -3.439 4.659 378 1HB LYS 48 HB2 LYS 48 4.849 -4.170 3.398 379 2HB LYS 48 HB1 LYS 48 3.830 -2.787 3.007 380 1HG LYS 48 HG2 LYS 48 5.104 -3.235 5.719 381 2HG LYS 48 HG1 LYS 48 5.792 -2.205 4.464 382 1HD LYS 48 HD2 LYS 48 3.652 -0.897 4.448 383 2HD LYS 48 HD1 LYS 48 3.110 -1.858 5.824 384 1HE LYS 48 HE2 LYS 48 4.072 0.150 6.748 385 2HE LYS 48 HE1 LYS 48 5.279 -1.127 6.998 386 1HZ LYS 48 HZ1 LYS 48 6.520 -0.431 5.178 387 2HZ LYS 48 HZ2 LYS 48 6.049 1.038 5.891 388 3HZ LYS 48 HZ3 LYS 48 5.242 0.464 4.510 389 H VAL 49 HN VAL 49 0.814 -4.092 3.024 390 HA VAL 49 HA VAL 49 1.273 -6.832 1.878 391 HB VAL 49 HB VAL 49 -1.295 -5.279 2.340 392 1HG1 VAL 49 HG1 VAL 49 -2.448 -7.212 1.645 393 2HG1 VAL 49 HG1 VAL 49 -1.028 -8.240 1.839 394 3HG1 VAL 49 HG1 VAL 49 -1.118 -7.105 0.492 395 1HG2 VAL 49 HG2 VAL 49 -1.233 -6.023 4.467 396 2HG2 VAL 49 HG2 VAL 49 0.390 -6.648 4.175 397 3HG2 VAL 49 HG2 VAL 49 -1.015 -7.680 3.905 398 H CYS 50 HN CYS 50 1.748 -6.803 -0.284 399 HA CYS 50 HA CYS 50 1.476 -4.379 -1.888 400 1HB CYS 50 HB2 CYS 50 2.428 -7.211 -2.222 401 2HB CYS 50 HB1 CYS 50 2.179 -6.222 -3.660 402 H THR 51 HN THR 51 0.120 -4.206 -3.815 403 HA THR 51 HA THR 51 -1.953 -6.239 -4.316 404 HB THR 51 HB THR 51 -3.684 -4.280 -3.886 405 HG1 THR 51 HG1 THR 51 -2.586 -2.615 -3.199 406 1HG2 THR 51 HG2 THR 51 -4.187 -5.267 -1.823 407 2HG2 THR 51 HG2 THR 51 -2.489 -5.518 -1.420 408 3HG2 THR 51 HG2 THR 51 -3.266 -6.533 -2.635 409 H HIS 52 HN HIS 52 -3.121 -5.774 -6.307 410 HA HIS 52 HA HIS 52 -1.599 -4.252 -8.254 411 1HB HIS 52 HB2 HIS 52 -3.853 -6.106 -8.104 412 2HB HIS 52 HB1 HIS 52 -4.108 -4.853 -9.320 413 HD1 HIS 52 HD1 HIS 52 -1.086 -4.489 -10.116 414 HD2 HIS 52 HD2 HIS 52 -3.052 -8.154 -9.853 415 HE1 HIS 52 HE1 HIS 52 0.206 -6.099 -11.579 416 HA PRO 53 HA PRO 53 -3.788 -0.450 -7.603 417 1HB PRO 53 HB2 PRO 53 -2.741 0.953 -9.700 418 2HB PRO 53 HB1 PRO 53 -1.823 0.593 -8.225 419 1HG PRO 53 HG2 PRO 53 -1.601 -0.589 -10.910 420 2HG PRO 53 HG1 PRO 53 -0.391 -0.453 -9.628 421 1HD PRO 53 HD2 PRO 53 -1.890 -2.746 -10.322 422 2HD PRO 53 HD1 PRO 53 -0.827 -2.548 -8.915 423 H ARG 54 HN ARG 54 -4.350 -2.587 -10.160 424 HA ARG 54 HA ARG 54 -6.185 -0.818 -11.659 425 1HB ARG 54 HB2 ARG 54 -4.571 -2.755 -12.460 426 2HB ARG 54 HB1 ARG 54 -5.933 -3.788 -12.024 427 1HG ARG 54 HG2 ARG 54 -7.084 -3.174 -13.862 428 2HG ARG 54 HG1 ARG 54 -6.824 -1.462 -13.521 429 1HD ARG 54 HD2 ARG 54 -5.309 -1.365 -15.199 430 2HD ARG 54 HD1 ARG 54 -4.332 -2.607 -14.389 431 HE ARG 54 HE ARG 54 -6.647 -3.280 -16.170 432 1HH1 ARG 54 HH1 ARG 54 -3.895 -3.324 -17.367 433 2HH1 ARG 54 HH1 ARG 54 -3.444 -4.984 -17.170 434 1HH2 ARG 54 HH2 ARG 54 -5.904 -5.654 -14.822 435 2HH2 ARG 54 HH2 ARG 54 -4.580 -6.302 -15.730 436 H LYS 55 HN LYS 55 -6.344 -3.609 -9.449 437 HA LYS 55 HA LYS 55 -9.089 -4.226 -9.611 438 1HB LYS 55 HB2 LYS 55 -6.834 -4.706 -7.911 439 2HB LYS 55 HB1 LYS 55 -8.222 -4.333 -6.888 440 1HG LYS 55 HG2 LYS 55 -8.794 -6.508 -7.184 441 2HG LYS 55 HG1 LYS 55 -9.319 -6.004 -8.791 442 1HD LYS 55 HD2 LYS 55 -6.563 -7.041 -8.066 443 2HD LYS 55 HD1 LYS 55 -7.801 -7.928 -8.957 444 1HE LYS 55 HE2 LYS 55 -7.689 -5.681 -10.472 445 2HE LYS 55 HE1 LYS 55 -6.014 -5.741 -9.887 446 1HZ LYS 55 HZ1 LYS 55 -6.033 -7.139 -11.748 447 2HZ LYS 55 HZ2 LYS 55 -7.528 -7.833 -11.334 448 3HZ LYS 55 HZ3 LYS 55 -6.137 -8.203 -10.433 449 H LYS 56 HN LYS 56 -10.866 -2.995 -9.187 450 HA LYS 56 HA LYS 56 -10.852 -0.303 -8.372 451 1HB LYS 56 HB2 LYS 56 -12.707 -1.471 -9.485 452 2HB LYS 56 HB1 LYS 56 -12.967 -2.457 -8.047 453 1HG LYS 56 HG2 LYS 56 -14.546 -0.802 -7.687 454 2HG LYS 56 HG1 LYS 56 -13.160 -0.082 -6.869 455 1HD LYS 56 HD2 LYS 56 -12.687 1.354 -8.698 456 2HD LYS 56 HD1 LYS 56 -13.718 0.431 -9.792 457 1HE LYS 56 HE2 LYS 56 -15.038 1.570 -7.370 458 2HE LYS 56 HE1 LYS 56 -14.572 2.711 -8.648 459 1HZ LYS 56 HZ1 LYS 56 -15.908 0.154 -9.289 460 2HZ LYS 56 HZ2 LYS 56 -15.796 1.560 -10.236 461 3HZ LYS 56 HZ3 LYS 56 -16.816 1.527 -8.878 462 H TRP 57 HN TRP 57 -11.371 -3.221 -6.353 463 HA TRP 57 HA TRP 57 -11.946 -1.934 -3.918 464 1HB TRP 57 HB2 TRP 57 -11.787 -4.076 -3.097 465 2HB TRP 57 HB1 TRP 57 -11.712 -4.480 -4.806 466 HD1 TRP 57 HD1 TRP 57 -9.447 -5.385 -5.759 467 HE1 TRP 57 HE1 TRP 57 -7.248 -6.154 -4.651 468 HE3 TRP 57 HE3 TRP 57 -10.171 -3.590 -1.039 469 HZ2 TRP 57 HZ2 TRP 57 -5.967 -6.014 -2.095 470 HZ3 TRP 57 HZ3 TRP 57 -8.450 -3.921 0.713 471 HH2 TRP 57 HH2 TRP 57 -6.350 -5.132 0.192 472 H VAL 58 HN VAL 58 -8.803 -2.440 -5.493 473 HA VAL 58 HA VAL 58 -7.127 -1.696 -3.286 474 HB VAL 58 HB VAL 58 -6.726 -1.271 -6.266 475 1HG1 VAL 58 HG1 VAL 58 -4.436 -1.113 -5.819 476 2HG1 VAL 58 HG1 VAL 58 -4.586 -1.910 -4.254 477 3HG1 VAL 58 HG1 VAL 58 -5.134 -0.246 -4.452 478 1HG2 VAL 58 HG2 VAL 58 -5.556 -3.626 -4.909 479 2HG2 VAL 58 HG2 VAL 58 -6.298 -3.499 -6.501 480 3HG2 VAL 58 HG2 VAL 58 -7.311 -3.657 -5.070 481 H GLN 59 HN GLN 59 -8.229 0.278 -6.083 482 HA GLN 59 HA GLN 59 -7.250 2.776 -5.159 483 1HB GLN 59 HB2 GLN 59 -9.729 2.087 -6.778 484 2HB GLN 59 HB1 GLN 59 -8.956 3.672 -6.728 485 1HG GLN 59 HG2 GLN 59 -6.807 2.228 -7.391 486 2HG GLN 59 HG1 GLN 59 -8.044 1.160 -8.057 487 1HE2 GLN 59 HE2 GLN 59 -9.950 3.236 -8.780 488 2HE2 GLN 59 HE2 GLN 59 -9.282 4.114 -10.070 489 H LYS 60 HN LYS 60 -10.027 0.868 -4.247 490 HA LYS 60 HA LYS 60 -11.469 2.981 -2.894 491 1HB LYS 60 HB2 LYS 60 -11.749 0.222 -3.595 492 2HB LYS 60 HB1 LYS 60 -12.046 0.373 -1.862 493 1HG LYS 60 HG2 LYS 60 -13.312 2.285 -3.817 494 2HG LYS 60 HG1 LYS 60 -14.052 0.721 -3.473 495 1HD LYS 60 HD2 LYS 60 -14.987 1.648 -1.645 496 2HD LYS 60 HD1 LYS 60 -13.367 1.790 -0.961 497 1HE LYS 60 HE2 LYS 60 -13.098 4.017 -1.873 498 2HE LYS 60 HE1 LYS 60 -14.607 3.869 -2.797 499 1HZ LYS 60 HZ1 LYS 60 -14.977 5.034 -0.700 500 2HZ LYS 60 HZ2 LYS 60 -14.369 3.703 0.162 501 3HZ LYS 60 HZ3 LYS 60 -15.809 3.557 -0.727 502 H TYR 61 HN TYR 61 -9.073 0.531 -1.943 503 HA TYR 61 HA TYR 61 -9.252 1.184 0.903 504 1HB TYR 61 HB2 TYR 61 -7.903 -0.699 -0.894 505 2HB TYR 61 HB1 TYR 61 -6.868 -0.164 0.432 506 HD1 TYR 61 HD1 TYR 61 -6.961 -1.431 2.381 507 HD2 TYR 61 HD2 TYR 61 -10.467 -1.121 -0.081 508 HE1 TYR 61 HE1 TYR 61 -8.191 -2.910 3.946 509 HE2 TYR 61 HE2 TYR 61 -11.697 -2.600 1.482 510 HH TYR 61 HH TYR 61 -10.452 -3.436 4.582 511 H ILE 62 HN ILE 62 -7.250 2.150 -1.837 512 HA ILE 62 HA ILE 62 -5.148 3.451 -0.387 513 HB ILE 62 HB ILE 62 -6.410 4.032 -3.092 514 1HG1 ILE 62 HG1 ILE 62 -3.887 2.466 -2.589 515 2HG1 ILE 62 HG1 ILE 62 -5.458 1.671 -2.495 516 1HG2 ILE 62 HG2 ILE 62 -4.432 5.459 -1.666 517 2HG2 ILE 62 HG2 ILE 62 -4.853 5.636 -3.369 518 3HG2 ILE 62 HG2 ILE 62 -3.572 4.526 -2.890 519 1HD1 ILE 62 HD1 ILE 62 -3.975 2.175 -4.824 520 2HD1 ILE 62 HD1 ILE 62 -5.290 3.350 -4.856 521 3HD1 ILE 62 HD1 ILE 62 -5.650 1.627 -4.740 522 H SER 63 HN SER 63 -8.132 4.789 -1.861 523 HA SER 63 HA SER 63 -7.840 7.443 -0.831 524 1HB SER 63 HB2 SER 63 -9.924 5.710 -2.040 525 2HB SER 63 HB1 SER 63 -10.529 7.071 -1.100 526 HG SER 63 HG SER 63 -8.689 7.130 -3.264 527 H LEU 64 HN LEU 64 -9.537 4.567 0.430 528 HA LEU 64 HA LEU 64 -10.654 5.796 2.763 529 1HB LEU 64 HB2 LEU 64 -10.045 3.077 1.723 530 2HB LEU 64 HB1 LEU 64 -10.278 3.202 3.466 531 HG LEU 64 HG LEU 64 -12.229 4.470 1.548 532 1HD1 LEU 64 HD1 LEU 64 -11.831 1.924 1.172 533 2HD1 LEU 64 HD1 LEU 64 -13.488 2.485 1.395 534 3HD1 LEU 64 HD1 LEU 64 -12.627 1.727 2.734 535 1HD2 LEU 64 HD2 LEU 64 -11.953 4.632 4.261 536 2HD2 LEU 64 HD2 LEU 64 -13.050 3.257 4.122 537 3HD2 LEU 64 HD2 LEU 64 -13.493 4.814 3.420 538 H LEU 65 HN LEU 65 -7.599 3.994 2.269 539 HA LEU 65 HA LEU 65 -6.688 4.438 5.001 540 1HB LEU 65 HB2 LEU 65 -5.501 3.409 2.417 541 2HB LEU 65 HB1 LEU 65 -4.504 3.600 3.854 542 HG LEU 65 HG LEU 65 -6.963 1.848 3.560 543 1HD1 LEU 65 HD1 LEU 65 -5.405 0.329 2.946 544 2HD1 LEU 65 HD1 LEU 65 -4.781 0.418 4.593 545 3HD1 LEU 65 HD1 LEU 65 -4.091 1.437 3.333 546 1HD2 LEU 65 HD2 LEU 65 -7.254 2.168 5.782 547 2HD2 LEU 65 HD2 LEU 65 -5.729 3.043 5.927 548 3HD2 LEU 65 HD2 LEU 65 -5.745 1.283 6.000 549 H LYS 66 HN LYS 66 -7.323 6.948 4.329 550 HA LYS 66 HA LYS 66 -6.488 9.139 4.003 551 1HB LYS 66 HB2 LYS 66 -3.952 7.684 4.828 552 2HB LYS 66 HB1 LYS 66 -4.251 9.415 4.986 553 1HG LYS 66 HG2 LYS 66 -5.314 9.098 6.943 554 2HG LYS 66 HG1 LYS 66 -6.420 7.949 6.193 555 1HD LYS 66 HD2 LYS 66 -4.511 6.238 6.380 556 2HD LYS 66 HD1 LYS 66 -3.738 7.392 7.466 557 1HE LYS 66 HE2 LYS 66 -4.980 6.473 9.132 558 2HE LYS 66 HE1 LYS 66 -6.396 7.227 8.375 559 1HZ LYS 66 HZ1 LYS 66 -6.600 5.320 6.913 560 2HZ LYS 66 HZ2 LYS 66 -6.658 4.815 8.535 561 3HZ LYS 66 HZ3 LYS 66 -5.241 4.593 7.623 562 H THR 67 HN THR 67 -4.229 10.198 2.971 563 HA THR 67 HA THR 67 -3.407 8.718 0.552 564 HB THR 67 HB THR 67 -4.737 11.424 0.360 565 HG1 THR 67 HG1 THR 67 -6.467 10.315 0.821 566 1HG2 THR 67 HG2 THR 67 -3.569 9.444 -1.507 567 2HG2 THR 67 HG2 THR 67 -3.709 11.195 -1.665 568 3HG2 THR 67 HG2 THR 67 -5.096 10.164 -2.018 569 HA PRO 68 HA PRO 68 -0.531 12.027 2.367 570 1HB PRO 68 HB2 PRO 68 1.226 10.424 3.715 571 2HB PRO 68 HB1 PRO 68 -0.223 11.116 4.473 572 1HG PRO 68 HG2 PRO 68 0.241 8.367 3.439 573 2HG PRO 68 HG1 PRO 68 -0.657 8.901 4.867 574 1HD PRO 68 HD2 PRO 68 -1.832 8.149 2.513 575 2HD PRO 68 HD1 PRO 68 -2.571 9.263 3.684 576 H LYS 69 HN LYS 69 0.019 12.079 0.050 577 HA LYS 69 HA LYS 69 1.938 10.070 -0.954 578 1HB LYS 69 HB2 LYS 69 -0.054 11.824 -1.988 579 2HB LYS 69 HB1 LYS 69 1.485 12.297 -2.711 580 1HG LYS 69 HG2 LYS 69 0.599 9.411 -2.587 581 2HG LYS 69 HG1 LYS 69 0.163 10.466 -3.932 582 1HD LYS 69 HD2 LYS 69 2.363 10.671 -4.663 583 2HD LYS 69 HD1 LYS 69 3.032 10.311 -3.070 584 1HE LYS 69 HE2 LYS 69 1.440 8.090 -4.136 585 2HE LYS 69 HE1 LYS 69 2.840 8.490 -5.153 586 1HZ LYS 69 HZ1 LYS 69 4.297 8.299 -3.352 587 2HZ LYS 69 HZ2 LYS 69 3.259 6.964 -3.177 588 3HZ LYS 69 HZ3 LYS 69 3.047 8.342 -2.205 589 H GLN 70 HN GLN 70 1.849 13.479 0.006 590 HA GLN 70 HA GLN 70 4.729 13.521 0.456 591 1HB GLN 70 HB2 GLN 70 4.306 13.674 -2.087 592 2HB GLN 70 HB1 GLN 70 3.669 15.285 -1.757 593 1HG GLN 70 HG2 GLN 70 6.063 15.390 -2.350 594 2HG GLN 70 HG1 GLN 70 5.801 15.912 -0.686 595 1HE2 GLN 70 HE2 GLN 70 7.394 15.067 0.655 596 2HE2 GLN 70 HE2 GLN 70 8.075 13.519 0.511 597 H LEU 71 HN LEU 71 5.305 15.351 1.708 598 HA LEU 71 HA LEU 71 3.136 17.356 2.221 599 1HB LEU 71 HB2 LEU 71 3.766 15.300 3.883 600 2HB LEU 71 HB1 LEU 71 4.900 16.521 4.462 601 HG LEU 71 HG LEU 71 2.121 17.445 3.969 602 1HD1 LEU 71 HD1 LEU 71 1.285 16.540 6.072 603 2HD1 LEU 71 HD1 LEU 71 2.833 15.754 6.386 604 3HD1 LEU 71 HD1 LEU 71 1.821 15.208 5.047 605 1HD2 LEU 71 HD2 LEU 71 3.893 18.927 4.843 606 2HD2 LEU 71 HD2 LEU 71 4.130 17.842 6.212 607 3HD2 LEU 71 HD2 LEU 71 2.610 18.718 6.035 Start of MODEL 8 1 1H THR 1 HT1 THR 1 5.382 -18.193 -2.302 2 2H THR 1 HT2 THR 1 6.532 -17.375 -3.249 3 3H THR 1 HT3 THR 1 6.074 -16.752 -1.736 4 HA THR 1 HA THR 1 7.339 -19.420 -1.980 5 HB THR 1 HB THR 1 8.739 -16.776 -1.517 6 HG1 THR 1 HG1 THR 1 8.640 -18.283 -3.911 7 1HG2 THR 1 HG2 THR 1 9.532 -19.366 -1.035 8 2HG2 THR 1 HG2 THR 1 10.626 -18.012 -1.317 9 3HG2 THR 1 HG2 THR 1 10.176 -19.073 -2.650 10 H ARG 2 HN ARG 2 5.649 -19.616 -0.154 11 HA ARG 2 HA ARG 2 5.158 -19.661 2.158 12 1HB ARG 2 HB2 ARG 2 8.148 -19.406 1.915 13 2HB ARG 2 HB1 ARG 2 7.394 -19.463 3.508 14 1HG ARG 2 HG2 ARG 2 6.111 -21.530 2.333 15 2HG ARG 2 HG1 ARG 2 7.640 -21.595 1.454 16 1HD ARG 2 HD2 ARG 2 8.046 -22.954 3.354 17 2HD ARG 2 HD1 ARG 2 8.727 -21.388 3.834 18 HE ARG 2 HE ARG 2 6.259 -21.014 4.737 19 1HH1 ARG 2 HH2 ARG 2 8.064 -22.020 6.793 20 2HH1 ARG 2 HH2 ARG 2 7.331 -23.508 7.290 21 1HH2 ARG 2 HH1 ARG 2 5.321 -23.761 4.474 22 2HH2 ARG 2 HH1 ARG 2 5.775 -24.494 5.975 23 H GLY 3 HN GLY 3 5.762 -18.257 4.301 24 1HA GLY 3 HA2 GLY 3 4.930 -15.539 3.660 25 2HA GLY 3 HA1 GLY 3 5.245 -16.171 5.278 26 H SER 4 HN SER 4 6.960 -15.168 2.310 27 HA SER 4 HA SER 4 9.438 -14.703 3.862 28 1HB SER 4 HB2 SER 4 9.540 -15.754 1.658 29 2HB SER 4 HB1 SER 4 8.668 -14.401 0.942 30 HG SER 4 HG SER 4 10.638 -13.696 0.626 31 H ASP 5 HN ASP 5 10.494 -12.564 3.777 32 HA ASP 5 HA ASP 5 8.687 -10.383 4.349 33 1HB ASP 5 HB2 ASP 5 11.628 -10.868 4.097 34 2HB ASP 5 HB1 ASP 5 11.073 -9.194 4.082 35 H ILE 6 HN ILE 6 7.403 -10.111 2.409 36 HA ILE 6 HA ILE 6 8.903 -9.130 0.006 37 HB ILE 6 HB ILE 6 6.061 -10.140 0.317 38 1HG1 ILE 6 HG1 ILE 6 7.720 -11.901 0.804 39 2HG1 ILE 6 HG1 ILE 6 6.923 -12.211 -0.738 40 1HG2 ILE 6 HG2 ILE 6 6.913 -10.480 -2.310 41 2HG2 ILE 6 HG2 ILE 6 7.573 -8.907 -1.862 42 3HG2 ILE 6 HG2 ILE 6 5.839 -9.206 -1.730 43 1HD1 ILE 6 HD1 ILE 6 9.036 -12.410 -1.550 44 2HD1 ILE 6 HD1 ILE 6 9.742 -11.553 -0.181 45 3HD1 ILE 6 HD1 ILE 6 9.037 -10.647 -1.520 46 H SER 7 HN SER 7 8.384 -7.445 2.334 47 HA SER 7 HA SER 7 6.262 -5.620 1.308 48 1HB SER 7 HB2 SER 7 7.595 -5.443 3.994 49 2HB SER 7 HB1 SER 7 5.952 -4.993 3.543 50 HG SER 7 HG SER 7 6.155 -6.998 4.742 51 H LYS 8 HN LYS 8 9.082 -5.825 0.277 52 HA LYS 8 HA LYS 8 10.678 -3.652 1.250 53 1HB LYS 8 HB2 LYS 8 10.478 -4.920 -1.503 54 2HB LYS 8 HB1 LYS 8 11.846 -3.980 -0.906 55 1HG LYS 8 HG2 LYS 8 11.058 -6.153 0.904 56 2HG LYS 8 HG1 LYS 8 11.586 -6.722 -0.680 57 1HD LYS 8 HD2 LYS 8 13.724 -5.819 -0.443 58 2HD LYS 8 HD1 LYS 8 13.196 -4.625 0.744 59 1HE LYS 8 HE2 LYS 8 13.041 -6.271 2.479 60 2HE LYS 8 HE1 LYS 8 13.186 -7.605 1.316 61 1HZ LYS 8 HZ1 LYS 8 15.295 -6.859 2.540 62 2HZ LYS 8 HZ2 LYS 8 15.263 -5.511 1.505 63 3HZ LYS 8 HZ3 LYS 8 15.390 -7.079 0.861 64 H THR 9 HN THR 9 11.150 -2.181 -1.176 65 HA THR 9 HA THR 9 9.018 -0.200 -0.976 66 HB THR 9 HB THR 9 11.059 -0.165 -3.159 67 HG1 THR 9 HG1 THR 9 12.626 -0.528 -1.837 68 1HG2 THR 9 HG2 THR 9 9.398 1.673 -1.792 69 2HG2 THR 9 HG2 THR 9 10.593 2.029 -3.038 70 3HG2 THR 9 HG2 THR 9 11.056 2.064 -1.337 71 H CYS 10 HN CYS 10 10.256 -2.199 -3.690 72 HA CYS 10 HA CYS 10 8.112 -1.526 -5.491 73 1HB CYS 10 HB2 CYS 10 9.965 -3.930 -5.370 74 2HB CYS 10 HB1 CYS 10 9.075 -3.390 -6.791 75 H CYS 11 HN CYS 11 7.135 -3.952 -6.417 76 HA CYS 11 HA CYS 11 5.942 -5.401 -4.120 77 1HB CYS 11 HB2 CYS 11 4.519 -3.565 -6.038 78 2HB CYS 11 HB1 CYS 11 3.656 -4.911 -5.294 79 H PHE 12 HN PHE 12 6.695 -7.406 -4.866 80 HA PHE 12 HA PHE 12 6.159 -8.147 -7.696 81 1HB PHE 12 HB2 PHE 12 7.960 -9.110 -5.482 82 2HB PHE 12 HB1 PHE 12 7.656 -10.129 -6.889 83 HD1 PHE 12 HD1 PHE 12 9.016 -6.868 -5.763 84 HD2 PHE 12 HD2 PHE 12 8.585 -9.603 -9.046 85 HE1 PHE 12 HE1 PHE 12 10.679 -5.567 -7.064 86 HE2 PHE 12 HE2 PHE 12 10.247 -8.303 -10.348 87 HZ PHE 12 HZ PHE 12 11.294 -6.285 -9.357 88 H GLN 13 HN GLN 13 4.190 -8.088 -5.294 89 HA GLN 13 HA GLN 13 2.932 -10.683 -5.910 90 1HB GLN 13 HB2 GLN 13 4.691 -10.724 -3.923 91 2HB GLN 13 HB1 GLN 13 3.356 -10.009 -3.017 92 1HG GLN 13 HG2 GLN 13 3.159 -12.380 -2.735 93 2HG GLN 13 HG1 GLN 13 1.905 -11.915 -3.887 94 1HE2 GLN 13 HE2 GLN 13 1.951 -14.105 -4.838 95 2HE2 GLN 13 HE2 GLN 13 3.229 -14.579 -5.851 96 H TYR 14 HN TYR 14 0.672 -10.602 -5.543 97 HA TYR 14 HA TYR 14 -0.393 -8.082 -4.343 98 1HB TYR 14 HB2 TYR 14 -1.306 -9.520 -6.854 99 2HB TYR 14 HB1 TYR 14 -2.031 -8.053 -6.195 100 HD1 TYR 14 HD1 TYR 14 0.313 -6.507 -5.334 101 HD2 TYR 14 HD2 TYR 14 -0.274 -8.875 -8.871 102 HE1 TYR 14 HE1 TYR 14 2.000 -5.139 -6.528 103 HE2 TYR 14 HE2 TYR 14 1.413 -7.506 -10.066 104 HH TYR 14 HH TYR 14 2.596 -5.559 -9.983 105 H SER 15 HN SER 15 -1.574 -8.690 -2.574 106 HA SER 15 HA SER 15 -2.576 -11.385 -2.191 107 1HB SER 15 HB2 SER 15 -3.388 -8.888 -0.698 108 2HB SER 15 HB1 SER 15 -3.243 -10.529 -0.075 109 HG SER 15 HG SER 15 -1.139 -10.287 0.087 110 H HIS 16 HN HIS 16 -5.035 -11.442 -1.360 111 HA HIS 16 HA HIS 16 -6.842 -9.853 -3.095 112 1HB HIS 16 HB2 HIS 16 -5.814 -12.157 -4.058 113 2HB HIS 16 HB1 HIS 16 -7.183 -12.814 -3.160 114 HD1 HIS 16 HD1 HIS 16 -9.559 -11.486 -3.704 115 HD2 HIS 16 HD2 HIS 16 -6.535 -11.236 -6.562 116 HE1 HIS 16 HE1 HIS 16 -10.672 -10.771 -5.865 117 H LYS 17 HN LYS 17 -6.661 -9.723 -0.308 118 HA LYS 17 HA LYS 17 -9.257 -10.933 0.498 119 1HB LYS 17 HB2 LYS 17 -6.538 -11.241 1.764 120 2HB LYS 17 HB1 LYS 17 -8.007 -11.437 2.722 121 1HG LYS 17 HG2 LYS 17 -8.803 -13.126 1.042 122 2HG LYS 17 HG1 LYS 17 -7.231 -13.010 0.251 123 1HD LYS 17 HD2 LYS 17 -6.092 -13.871 2.162 124 2HD LYS 17 HD1 LYS 17 -7.513 -13.669 3.188 125 1HE LYS 17 HE2 LYS 17 -8.345 -15.689 2.568 126 2HE LYS 17 HE1 LYS 17 -8.074 -15.343 0.849 127 1HZ LYS 17 HZ1 LYS 17 -6.135 -16.362 2.841 128 2HZ LYS 17 HZ2 LYS 17 -5.627 -15.637 1.390 129 3HZ LYS 17 HZ3 LYS 17 -6.571 -17.051 1.353 130 HA PRO 18 HA PRO 18 -9.791 -6.899 2.211 131 1HB PRO 18 HB2 PRO 18 -11.801 -7.417 3.989 132 2HB PRO 18 HB1 PRO 18 -12.058 -7.344 2.235 133 1HG PRO 18 HG2 PRO 18 -11.809 -9.706 4.016 134 2HG PRO 18 HG1 PRO 18 -12.829 -9.467 2.591 135 1HD PRO 18 HD2 PRO 18 -10.490 -10.909 2.597 136 2HD PRO 18 HD1 PRO 18 -11.196 -10.149 1.155 137 H LEU 19 HN LEU 19 -8.045 -6.302 3.488 138 HA LEU 19 HA LEU 19 -7.199 -7.708 5.869 139 1HB LEU 19 HB2 LEU 19 -5.885 -6.188 4.281 140 2HB LEU 19 HB1 LEU 19 -6.679 -4.828 5.074 141 HG LEU 19 HG LEU 19 -5.813 -5.764 7.277 142 1HD1 LEU 19 HD1 LEU 19 -4.047 -7.365 5.398 143 2HD1 LEU 19 HD1 LEU 19 -5.344 -8.050 6.377 144 3HD1 LEU 19 HD1 LEU 19 -3.937 -7.327 7.158 145 1HD2 LEU 19 HD2 LEU 19 -4.690 -4.031 5.484 146 2HD2 LEU 19 HD2 LEU 19 -3.391 -5.207 5.677 147 3HD2 LEU 19 HD2 LEU 19 -4.028 -4.360 7.085 148 HA PRO 20 HA PRO 20 -10.170 -6.044 8.690 149 1HB PRO 20 HB2 PRO 20 -8.731 -6.265 11.021 150 2HB PRO 20 HB1 PRO 20 -9.509 -7.646 10.219 151 1HG PRO 20 HG2 PRO 20 -6.661 -6.755 10.107 152 2HG PRO 20 HG1 PRO 20 -7.322 -8.391 10.271 153 1HD PRO 20 HD2 PRO 20 -6.410 -7.470 7.919 154 2HD PRO 20 HD1 PRO 20 -7.802 -8.571 8.016 155 H TRP 21 HN TRP 21 -10.456 -3.862 8.441 156 HA TRP 21 HA TRP 21 -8.594 -1.804 8.294 157 1HB TRP 21 HB2 TRP 21 -11.380 -1.899 9.485 158 2HB TRP 21 HB1 TRP 21 -10.536 -0.398 9.100 159 HD1 TRP 21 HD1 TRP 21 -12.486 -3.198 7.542 160 HE1 TRP 21 HE1 TRP 21 -12.682 -2.814 5.001 161 HE3 TRP 21 HE3 TRP 21 -9.165 0.638 6.973 162 HZ2 TRP 21 HZ2 TRP 21 -11.574 -1.108 2.991 163 HZ3 TRP 21 HZ3 TRP 21 -8.753 1.621 4.736 164 HH2 TRP 21 HH2 TRP 21 -9.952 0.755 2.747 165 H THR 22 HN THR 22 -9.746 -3.441 11.196 166 HA THR 22 HA THR 22 -8.934 -1.563 13.174 167 HB THR 22 HB THR 22 -8.599 -3.856 14.445 168 HG1 THR 22 HG1 THR 22 -8.447 -5.252 12.794 169 1HG2 THR 22 HG2 THR 22 -11.361 -3.754 13.454 170 2HG2 THR 22 HG2 THR 22 -10.741 -2.189 13.980 171 3HG2 THR 22 HG2 THR 22 -10.748 -3.555 15.096 172 H TRP 23 HN TRP 23 -7.103 -3.954 11.324 173 HA TRP 23 HA TRP 23 -4.612 -3.269 12.787 174 1HB TRP 23 HB2 TRP 23 -5.780 -5.586 11.588 175 2HB TRP 23 HB1 TRP 23 -4.296 -5.220 10.709 176 HD1 TRP 23 HD1 TRP 23 -4.831 -4.541 14.451 177 HE1 TRP 23 HE1 TRP 23 -3.123 -5.937 15.785 178 HE3 TRP 23 HE3 TRP 23 -2.757 -7.258 10.657 179 HZ2 TRP 23 HZ2 TRP 23 -1.139 -7.944 15.306 180 HZ3 TRP 23 HZ3 TRP 23 -0.963 -8.903 11.123 181 HH2 TRP 23 HH2 TRP 23 -0.152 -9.249 13.440 182 H VAL 24 HN VAL 24 -6.307 -2.360 9.964 183 HA VAL 24 HA VAL 24 -3.935 -1.895 8.300 184 HB VAL 24 HB VAL 24 -6.804 -0.945 8.033 185 1HG1 VAL 24 HG1 VAL 24 -6.257 -0.694 5.672 186 2HG1 VAL 24 HG1 VAL 24 -4.639 -1.341 5.946 187 3HG1 VAL 24 HG1 VAL 24 -5.090 0.222 6.626 188 1HG2 VAL 24 HG2 VAL 24 -6.209 -3.076 6.260 189 2HG2 VAL 24 HG2 VAL 24 -7.319 -3.105 7.628 190 3HG2 VAL 24 HG2 VAL 24 -5.637 -3.579 7.849 191 H ARG 25 HN ARG 25 -2.762 0.018 8.262 192 HA ARG 25 HA ARG 25 -3.761 2.240 10.004 193 1HB ARG 25 HB2 ARG 25 -1.666 1.187 10.688 194 2HB ARG 25 HB1 ARG 25 -0.989 1.426 9.078 195 1HG ARG 25 HG2 ARG 25 -0.391 3.543 9.564 196 2HG ARG 25 HG1 ARG 25 -2.011 3.923 10.147 197 1HD ARG 25 HD2 ARG 25 -1.206 2.455 12.238 198 2HD ARG 25 HD1 ARG 25 0.385 3.019 11.687 199 HE ARG 25 HE ARG 25 -1.841 4.981 12.034 200 1HH1 ARG 25 HH1 ARG 25 -0.331 4.130 14.545 201 2HH1 ARG 25 HH1 ARG 25 0.876 5.368 14.644 202 1HH2 ARG 25 HH2 ARG 25 0.424 6.436 11.375 203 2HH2 ARG 25 HH2 ARG 25 1.304 6.674 12.847 204 H SER 26 HN SER 26 -2.285 1.550 6.821 205 HA SER 26 HA SER 26 -3.642 3.766 5.556 206 1HB SER 26 HB2 SER 26 -1.604 5.189 5.253 207 2HB SER 26 HB1 SER 26 -2.088 5.051 6.941 208 HG SER 26 HG SER 26 0.171 4.173 5.665 209 H TYR 27 HN TYR 27 -1.825 4.348 3.511 210 HA TYR 27 HA TYR 27 -0.965 1.702 2.455 211 1HB TYR 27 HB2 TYR 27 -2.502 1.733 0.750 212 2HB TYR 27 HB1 TYR 27 -3.396 2.771 1.852 213 HD1 TYR 27 HD1 TYR 27 -2.987 5.331 1.665 214 HD2 TYR 27 HD2 TYR 27 -1.870 2.505 -1.369 215 HE1 TYR 27 HE1 TYR 27 -2.870 7.164 -0.001 216 HE2 TYR 27 HE2 TYR 27 -1.756 4.334 -3.035 217 HH TYR 27 HH TYR 27 -1.315 7.061 -2.739 218 H GLU 28 HN GLU 28 -0.010 2.332 0.040 219 HA GLU 28 HA GLU 28 1.296 4.875 -0.250 220 1HB GLU 28 HB2 GLU 28 3.578 4.157 0.408 221 2HB GLU 28 HB1 GLU 28 2.466 4.068 1.774 222 1HG GLU 28 HG2 GLU 28 2.131 1.636 1.274 223 2HG GLU 28 HG1 GLU 28 3.374 1.764 0.029 224 H PHE 29 HN PHE 29 2.025 4.998 -2.364 225 HA PHE 29 HA PHE 29 1.832 2.570 -4.034 226 1HB PHE 29 HB2 PHE 29 1.134 5.170 -4.362 227 2HB PHE 29 HB1 PHE 29 2.724 5.190 -5.125 228 HD1 PHE 29 HD1 PHE 29 3.195 3.101 -6.727 229 HD2 PHE 29 HD2 PHE 29 -0.698 4.579 -5.674 230 HE1 PHE 29 HE1 PHE 29 2.241 2.028 -8.749 231 HE2 PHE 29 HE2 PHE 29 -1.653 3.506 -7.696 232 HZ PHE 29 HZ PHE 29 -0.183 2.232 -9.233 233 H THR 30 HN THR 30 3.604 1.754 -5.280 234 HA THR 30 HA THR 30 6.170 1.713 -4.062 235 HB THR 30 HB THR 30 6.789 0.814 -6.408 236 HG1 THR 30 HG1 THR 30 5.384 1.428 -7.836 237 1HG2 THR 30 HG2 THR 30 6.216 -0.733 -4.670 238 2HG2 THR 30 HG2 THR 30 5.271 -1.196 -6.085 239 3HG2 THR 30 HG2 THR 30 4.509 -0.306 -4.768 240 H SER 31 HN SER 31 8.167 2.722 -4.749 241 HA SER 31 HA SER 31 7.849 5.486 -5.659 242 1HB SER 31 HB2 SER 31 10.007 3.696 -4.606 243 2HB SER 31 HB1 SER 31 10.483 5.178 -5.430 244 HG SER 31 HG SER 31 9.481 4.840 -2.957 245 H ASN 32 HN ASN 32 9.258 6.330 -7.461 246 HA ASN 32 HA ASN 32 8.871 4.819 -9.896 247 1HB ASN 32 HB2 ASN 32 9.407 7.448 -9.083 248 2HB ASN 32 HB1 ASN 32 10.828 6.979 -10.017 249 1HD2 ASN 32 HD2 ASN 32 10.408 8.017 -12.013 250 2HD2 ASN 32 HD2 ASN 32 9.016 7.742 -12.945 251 H SER 33 HN SER 33 10.139 2.876 -8.857 252 HA SER 33 HA SER 33 12.779 2.782 -10.109 253 1HB SER 33 HB2 SER 33 13.868 2.268 -7.855 254 2HB SER 33 HB1 SER 33 13.383 3.945 -8.095 255 HG SER 33 HG SER 33 12.734 2.570 -6.087 256 H CYS 34 HN CYS 34 10.205 1.297 -10.160 257 HA CYS 34 HA CYS 34 11.285 -1.416 -9.493 258 1HB CYS 34 HB2 CYS 34 8.477 -0.372 -8.987 259 2HB CYS 34 HB1 CYS 34 9.068 -1.986 -8.593 260 H SER 35 HN SER 35 11.016 -2.841 -11.188 261 HA SER 35 HA SER 35 10.163 -2.044 -13.765 262 1HB SER 35 HB2 SER 35 10.052 -4.583 -14.087 263 2HB SER 35 HB1 SER 35 11.568 -3.958 -13.446 264 HG SER 35 HG SER 35 11.203 -5.010 -11.666 265 H GLN 36 HN GLN 36 8.299 -3.076 -11.009 266 HA GLN 36 HA GLN 36 5.810 -2.862 -12.656 267 1HB GLN 36 HB2 GLN 36 6.762 -5.073 -10.837 268 2HB GLN 36 HB1 GLN 36 5.039 -4.838 -11.141 269 1HG GLN 36 HG2 GLN 36 5.653 -4.851 -13.640 270 2HG GLN 36 HG1 GLN 36 7.212 -5.503 -13.131 271 1HE2 GLN 36 HE2 GLN 36 7.251 -7.669 -12.205 272 2HE2 GLN 36 HE2 GLN 36 5.914 -8.709 -12.323 273 H ARG 37 HN ARG 37 5.174 -0.887 -11.724 274 HA ARG 37 HA ARG 37 5.425 -0.235 -8.934 275 1HB ARG 37 HB2 ARG 37 4.005 1.652 -9.574 276 2HB ARG 37 HB1 ARG 37 5.164 1.339 -10.867 277 1HG ARG 37 HG2 ARG 37 3.306 -0.167 -11.878 278 2HG ARG 37 HG1 ARG 37 2.220 0.694 -10.787 279 1HD ARG 37 HD2 ARG 37 3.240 2.861 -11.773 280 2HD ARG 37 HD1 ARG 37 3.851 1.816 -13.072 281 HE ARG 37 HE ARG 37 0.966 1.653 -12.343 282 1HH1 ARG 37 HH1 ARG 37 2.962 3.542 -14.252 283 2HH1 ARG 37 HH1 ARG 37 2.166 3.192 -15.750 284 1HH2 ARG 37 HH2 ARG 37 0.155 0.708 -14.405 285 2HH2 ARG 37 HH2 ARG 37 0.576 1.587 -15.837 286 H ALA 38 HN ALA 38 3.593 -0.014 -7.398 287 HA ALA 38 HA ALA 38 1.048 -1.313 -7.936 288 1HB ALA 38 HB1 ALA 38 2.377 -2.859 -5.851 289 2HB ALA 38 HB2 ALA 38 3.243 -2.956 -7.384 290 3HB ALA 38 HB3 ALA 38 1.546 -3.425 -7.298 291 H VAL 39 HN VAL 39 -0.402 -1.101 -6.124 292 HA VAL 39 HA VAL 39 0.339 1.040 -4.244 293 HB VAL 39 HB VAL 39 -2.192 -0.584 -4.678 294 1HG1 VAL 39 HG1 VAL 39 -3.226 0.705 -3.111 295 2HG1 VAL 39 HG1 VAL 39 -2.314 2.148 -3.554 296 3HG1 VAL 39 HG1 VAL 39 -1.592 0.939 -2.492 297 1HG2 VAL 39 HG2 VAL 39 -1.224 0.872 -6.591 298 2HG2 VAL 39 HG2 VAL 39 -1.653 2.249 -5.577 299 3HG2 VAL 39 HG2 VAL 39 -2.906 1.141 -6.135 300 H ILE 40 HN ILE 40 0.346 0.761 -1.930 301 HA ILE 40 HA ILE 40 0.370 -2.087 -0.998 302 HB ILE 40 HB ILE 40 2.244 0.213 -0.376 303 1HG1 ILE 40 HG1 ILE 40 3.012 -2.459 -1.517 304 2HG1 ILE 40 HG1 ILE 40 2.379 -1.203 -2.580 305 1HG2 ILE 40 HG2 ILE 40 2.021 -2.571 0.774 306 2HG2 ILE 40 HG2 ILE 40 1.998 -1.036 1.643 307 3HG2 ILE 40 HG2 ILE 40 3.490 -1.604 0.895 308 1HD1 ILE 40 HD1 ILE 40 5.027 -1.462 -1.614 309 2HD1 ILE 40 HD1 ILE 40 4.334 -0.059 -0.802 310 3HD1 ILE 40 HD1 ILE 40 4.357 -0.136 -2.564 311 H PHE 41 HN PHE 41 -0.527 -2.432 1.041 312 HA PHE 41 HA PHE 41 -1.758 -0.060 2.413 313 1HB PHE 41 HB2 PHE 41 -2.631 -2.971 2.223 314 2HB PHE 41 HB1 PHE 41 -3.485 -1.719 3.124 315 HD1 PHE 41 HD1 PHE 41 -3.527 -3.477 0.144 316 HD2 PHE 41 HD2 PHE 41 -3.795 0.552 1.609 317 HE1 PHE 41 HE1 PHE 41 -4.729 -2.807 -1.918 318 HE2 PHE 41 HE2 PHE 41 -4.994 1.223 -0.454 319 HZ PHE 41 HZ PHE 41 -5.462 -0.459 -2.217 320 H THR 42 HN THR 42 -0.696 0.304 4.374 321 HA THR 42 HA THR 42 0.862 -1.934 5.535 322 HB THR 42 HB THR 42 1.912 0.261 5.162 323 HG1 THR 42 HG1 THR 42 2.975 -0.048 6.931 324 1HG2 THR 42 HG2 THR 42 0.611 1.713 7.283 325 2HG2 THR 42 HG2 THR 42 -0.574 1.202 6.083 326 3HG2 THR 42 HG2 THR 42 0.815 2.167 5.592 327 H THR 43 HN THR 43 0.657 -2.505 7.773 328 HA THR 43 HA THR 43 -2.100 -2.079 8.838 329 HB THR 43 HB THR 43 -1.423 -4.179 10.152 330 HG1 THR 43 HG1 THR 43 0.563 -4.764 9.935 331 1HG2 THR 43 HG2 THR 43 -2.775 -4.891 8.476 332 2HG2 THR 43 HG2 THR 43 -1.279 -5.424 7.710 333 3HG2 THR 43 HG2 THR 43 -1.983 -3.865 7.280 334 H LYS 44 HN LYS 44 -1.758 -2.764 11.458 335 HA LYS 44 HA LYS 44 -0.479 -0.376 12.577 336 1HB LYS 44 HB2 LYS 44 -2.023 -2.733 13.684 337 2HB LYS 44 HB1 LYS 44 -1.448 -1.404 14.692 338 1HG LYS 44 HG2 LYS 44 -2.900 -0.578 12.253 339 2HG LYS 44 HG1 LYS 44 -3.878 -1.427 13.449 340 1HD LYS 44 HD2 LYS 44 -3.231 0.146 15.179 341 2HD LYS 44 HD1 LYS 44 -2.093 0.938 14.088 342 1HE LYS 44 HE2 LYS 44 -4.326 1.158 12.587 343 2HE LYS 44 HE1 LYS 44 -5.062 1.160 14.204 344 1HZ LYS 44 HZ1 LYS 44 -4.280 3.389 13.386 345 2HZ LYS 44 HZ2 LYS 44 -2.690 2.799 13.506 346 3HZ LYS 44 HZ3 LYS 44 -3.664 2.916 14.894 347 H ARG 45 HN ARG 45 0.314 -3.770 12.220 348 HA ARG 45 HA ARG 45 2.390 -3.719 14.308 349 1HB ARG 45 HB2 ARG 45 0.959 -5.630 12.625 350 2HB ARG 45 HB1 ARG 45 2.680 -6.000 12.733 351 1HG ARG 45 HG2 ARG 45 0.866 -5.486 15.109 352 2HG ARG 45 HG1 ARG 45 1.380 -7.081 14.557 353 1HD ARG 45 HD2 ARG 45 3.456 -6.853 15.480 354 2HD ARG 45 HD1 ARG 45 3.598 -5.163 14.958 355 HE ARG 45 HE ARG 45 1.633 -5.656 17.098 356 1HH1 ARG 45 HH2 ARG 45 4.518 -6.298 17.950 357 2HH1 ARG 45 HH2 ARG 45 4.992 -4.782 18.642 358 1HH2 ARG 45 HH1 ARG 45 2.367 -3.013 17.227 359 2HH2 ARG 45 HH1 ARG 45 3.775 -2.924 18.231 360 H GLY 46 HN GLY 46 2.377 -2.175 11.481 361 1HA GLY 46 HA2 GLY 46 4.203 -1.286 10.267 362 2HA GLY 46 HA1 GLY 46 5.280 -2.336 11.189 363 H LYS 47 HN LYS 47 2.506 -3.739 9.629 364 HA LYS 47 HA LYS 47 4.335 -5.213 7.812 365 1HB LYS 47 HB2 LYS 47 2.246 -5.927 9.489 366 2HB LYS 47 HB1 LYS 47 1.495 -5.949 7.893 367 1HG LYS 47 HG2 LYS 47 2.378 -8.049 7.786 368 2HG LYS 47 HG1 LYS 47 3.855 -7.190 7.345 369 1HD LYS 47 HD2 LYS 47 4.863 -7.661 9.325 370 2HD LYS 47 HD1 LYS 47 3.389 -7.367 10.250 371 1HE LYS 47 HE2 LYS 47 3.302 -9.629 10.514 372 2HE LYS 47 HE1 LYS 47 2.804 -9.687 8.812 373 1HZ LYS 47 HZ1 LYS 47 5.234 -9.548 8.259 374 2HZ LYS 47 HZ2 LYS 47 4.742 -11.008 8.975 375 3HZ LYS 47 HZ3 LYS 47 5.560 -9.840 9.898 376 H LYS 48 HN LYS 48 4.453 -4.514 5.711 377 HA LYS 48 HA LYS 48 2.213 -2.855 4.638 378 1HB LYS 48 HB2 LYS 48 5.135 -3.208 3.957 379 2HB LYS 48 HB1 LYS 48 4.030 -2.295 2.928 380 1HG LYS 48 HG2 LYS 48 4.502 -0.517 4.240 381 2HG LYS 48 HG1 LYS 48 3.507 -1.301 5.466 382 1HD LYS 48 HD2 LYS 48 5.609 -0.834 6.513 383 2HD LYS 48 HD1 LYS 48 5.597 -2.567 6.179 384 1HE LYS 48 HE2 LYS 48 7.721 -1.903 5.383 385 2HE LYS 48 HE1 LYS 48 6.733 -1.857 3.908 386 1HZ LYS 48 HZ1 LYS 48 7.398 0.414 5.700 387 2HZ LYS 48 HZ2 LYS 48 6.213 0.498 4.487 388 3HZ LYS 48 HZ3 LYS 48 7.838 0.228 4.074 389 H VAL 49 HN VAL 49 0.797 -3.958 3.365 390 HA VAL 49 HA VAL 49 1.721 -6.431 1.972 391 HB VAL 49 HB VAL 49 -1.026 -5.230 2.454 392 1HG1 VAL 49 HG1 VAL 49 -1.949 -7.177 1.528 393 2HG1 VAL 49 HG1 VAL 49 -0.450 -8.088 1.706 394 3HG1 VAL 49 HG1 VAL 49 -0.590 -6.857 0.451 395 1HG2 VAL 49 HG2 VAL 49 -0.876 -7.552 3.894 396 2HG2 VAL 49 HG2 VAL 49 -0.561 -5.953 4.566 397 3HG2 VAL 49 HG2 VAL 49 0.780 -6.963 4.028 398 H CYS 50 HN CYS 50 2.161 -6.327 -0.193 399 HA CYS 50 HA CYS 50 1.715 -3.882 -1.719 400 1HB CYS 50 HB2 CYS 50 2.896 -6.611 -2.130 401 2HB CYS 50 HB1 CYS 50 2.548 -5.624 -3.550 402 H THR 51 HN THR 51 0.337 -3.699 -3.586 403 HA THR 51 HA THR 51 -1.595 -5.856 -4.174 404 HB THR 51 HB THR 51 -3.485 -4.187 -3.711 405 HG1 THR 51 HG1 THR 51 -2.761 -2.278 -3.260 406 1HG2 THR 51 HG2 THR 51 -2.793 -6.119 -2.217 407 2HG2 THR 51 HG2 THR 51 -3.610 -4.791 -1.394 408 3HG2 THR 51 HG2 THR 51 -1.858 -4.955 -1.279 409 H HIS 52 HN HIS 52 -2.684 -5.471 -6.201 410 HA HIS 52 HA HIS 52 -1.240 -3.682 -8.013 411 1HB HIS 52 HB2 HIS 52 -2.571 -6.102 -8.161 412 2HB HIS 52 HB1 HIS 52 -3.692 -4.997 -8.956 413 HD1 HIS 52 HD1 HIS 52 -3.025 -6.266 -11.221 414 HD2 HIS 52 HD2 HIS 52 0.033 -4.059 -9.444 415 HE1 HIS 52 HE1 HIS 52 -1.226 -5.989 -12.981 416 HA PRO 53 HA PRO 53 -4.171 -0.378 -7.554 417 1HB PRO 53 HB2 PRO 53 -3.433 1.118 -9.720 418 2HB PRO 53 HB1 PRO 53 -2.470 1.041 -8.230 419 1HG PRO 53 HG2 PRO 53 -2.045 -0.327 -10.830 420 2HG PRO 53 HG1 PRO 53 -0.861 0.325 -9.688 421 1HD PRO 53 HD2 PRO 53 -1.490 -2.344 -9.932 422 2HD PRO 53 HD1 PRO 53 -0.789 -1.602 -8.479 423 H ARG 54 HN ARG 54 -3.901 -2.377 -10.399 424 HA ARG 54 HA ARG 54 -6.114 -1.294 -11.900 425 1HB ARG 54 HB2 ARG 54 -4.660 -3.947 -11.797 426 2HB ARG 54 HB1 ARG 54 -5.946 -3.627 -12.961 427 1HG ARG 54 HG2 ARG 54 -4.497 -2.531 -14.284 428 2HG ARG 54 HG1 ARG 54 -4.146 -1.400 -12.977 429 1HD ARG 54 HD2 ARG 54 -2.545 -3.152 -12.039 430 2HD ARG 54 HD1 ARG 54 -2.748 -4.023 -13.572 431 HE ARG 54 HE ARG 54 -2.219 -1.363 -14.286 432 1HH1 ARG 54 HH1 ARG 54 -0.459 -3.614 -15.131 433 2HH1 ARG 54 HH1 ARG 54 1.040 -3.227 -14.354 434 1HH2 ARG 54 HH2 ARG 54 -0.384 -0.971 -12.140 435 2HH2 ARG 54 HH2 ARG 54 1.083 -1.732 -12.661 436 H LYS 55 HN LYS 55 -5.845 -3.790 -9.383 437 HA LYS 55 HA LYS 55 -8.486 -4.866 -9.609 438 1HB LYS 55 HB2 LYS 55 -6.209 -4.856 -7.751 439 2HB LYS 55 HB1 LYS 55 -7.764 -5.043 -6.938 440 1HG LYS 55 HG2 LYS 55 -7.825 -7.197 -7.584 441 2HG LYS 55 HG1 LYS 55 -7.833 -6.675 -9.269 442 1HD LYS 55 HD2 LYS 55 -5.202 -6.589 -7.893 443 2HD LYS 55 HD1 LYS 55 -5.858 -8.194 -8.209 444 1HE LYS 55 HE2 LYS 55 -6.343 -6.881 -10.598 445 2HE LYS 55 HE1 LYS 55 -4.762 -6.239 -10.106 446 1HZ LYS 55 HZ1 LYS 55 -5.567 -9.060 -10.478 447 2HZ LYS 55 HZ2 LYS 55 -4.240 -8.650 -9.499 448 3HZ LYS 55 HZ3 LYS 55 -4.241 -8.242 -11.149 449 H LYS 56 HN LYS 56 -10.380 -3.792 -9.284 450 HA LYS 56 HA LYS 56 -10.691 -1.144 -8.403 451 1HB LYS 56 HB2 LYS 56 -12.282 -3.427 -9.106 452 2HB LYS 56 HB1 LYS 56 -12.997 -2.658 -7.689 453 1HG LYS 56 HG2 LYS 56 -13.930 -1.204 -9.152 454 2HG LYS 56 HG1 LYS 56 -12.319 -0.496 -9.274 455 1HD LYS 56 HD2 LYS 56 -12.064 -1.234 -11.390 456 2HD LYS 56 HD1 LYS 56 -12.571 -2.865 -10.948 457 1HE LYS 56 HE2 LYS 56 -14.978 -1.695 -10.842 458 2HE LYS 56 HE1 LYS 56 -14.210 -0.601 -12.009 459 1HZ LYS 56 HZ1 LYS 56 -13.467 -2.537 -13.270 460 2HZ LYS 56 HZ2 LYS 56 -15.162 -2.512 -13.141 461 3HZ LYS 56 HZ3 LYS 56 -14.250 -3.570 -12.174 462 H TRP 57 HN TRP 57 -11.080 -4.137 -6.452 463 HA TRP 57 HA TRP 57 -11.855 -2.967 -4.024 464 1HB TRP 57 HB2 TRP 57 -11.486 -5.097 -3.209 465 2HB TRP 57 HB1 TRP 57 -11.378 -5.454 -4.926 466 HD1 TRP 57 HD1 TRP 57 -9.248 -6.646 -5.675 467 HE1 TRP 57 HE1 TRP 57 -6.907 -7.037 -4.664 468 HE3 TRP 57 HE3 TRP 57 -9.627 -3.807 -1.450 469 HZ2 TRP 57 HZ2 TRP 57 -5.398 -6.242 -2.365 470 HZ3 TRP 57 HZ3 TRP 57 -7.726 -3.642 0.132 471 HH2 TRP 57 HH2 TRP 57 -5.613 -4.856 -0.320 472 H VAL 58 HN VAL 58 -8.575 -3.275 -5.366 473 HA VAL 58 HA VAL 58 -7.135 -2.343 -3.062 474 HB VAL 58 HB VAL 58 -6.552 -2.107 -6.030 475 1HG1 VAL 58 HG1 VAL 58 -4.962 -0.736 -4.983 476 2HG1 VAL 58 HG1 VAL 58 -4.140 -2.295 -5.047 477 3HG1 VAL 58 HG1 VAL 58 -4.891 -1.755 -3.546 478 1HG2 VAL 58 HG2 VAL 58 -5.469 -4.245 -5.841 479 2HG2 VAL 58 HG2 VAL 58 -7.060 -4.428 -5.110 480 3HG2 VAL 58 HG2 VAL 58 -5.638 -4.244 -4.087 481 H GLN 59 HN GLN 59 -8.205 -0.595 -6.006 482 HA GLN 59 HA GLN 59 -7.360 2.000 -5.255 483 1HB GLN 59 HB2 GLN 59 -9.655 0.919 -6.914 484 2HB GLN 59 HB1 GLN 59 -9.288 2.641 -6.827 485 1HG GLN 59 HG2 GLN 59 -6.877 1.109 -7.327 486 2HG GLN 59 HG1 GLN 59 -8.104 0.756 -8.543 487 1HE2 GLN 59 HE2 GLN 59 -6.657 1.993 -10.080 488 2HE2 GLN 59 HE2 GLN 59 -6.732 3.688 -10.086 489 H LYS 60 HN LYS 60 -10.071 0.049 -4.222 490 HA LYS 60 HA LYS 60 -11.603 2.214 -3.058 491 1HB LYS 60 HB2 LYS 60 -11.603 -0.763 -3.150 492 2HB LYS 60 HB1 LYS 60 -12.480 -0.014 -1.815 493 1HG LYS 60 HG2 LYS 60 -13.836 1.280 -3.345 494 2HG LYS 60 HG1 LYS 60 -12.871 0.747 -4.722 495 1HD LYS 60 HD2 LYS 60 -13.653 -1.504 -4.521 496 2HD LYS 60 HD1 LYS 60 -14.362 -1.187 -2.936 497 1HE LYS 60 HE2 LYS 60 -16.307 -0.832 -4.073 498 2HE LYS 60 HE1 LYS 60 -15.584 0.709 -4.575 499 1HZ LYS 60 HZ1 LYS 60 -15.564 -1.882 -6.000 500 2HZ LYS 60 HZ2 LYS 60 -14.401 -0.689 -6.332 501 3HZ LYS 60 HZ3 LYS 60 -16.051 -0.364 -6.578 502 H TYR 61 HN TYR 61 -9.085 -0.015 -1.910 503 HA TYR 61 HA TYR 61 -9.382 0.797 0.889 504 1HB TYR 61 HB2 TYR 61 -7.689 -0.999 -0.776 505 2HB TYR 61 HB1 TYR 61 -6.978 -0.438 0.737 506 HD1 TYR 61 HD1 TYR 61 -7.383 -1.731 2.638 507 HD2 TYR 61 HD2 TYR 61 -10.287 -1.690 -0.527 508 HE1 TYR 61 HE1 TYR 61 -8.773 -3.359 3.890 509 HE2 TYR 61 HE2 TYR 61 -11.675 -3.318 0.724 510 HH TYR 61 HH TYR 61 -11.309 -3.961 3.933 511 H ILE 62 HN ILE 62 -7.537 1.856 -1.900 512 HA ILE 62 HA ILE 62 -5.526 3.363 -0.468 513 HB ILE 62 HB ILE 62 -6.727 3.690 -3.242 514 1HG1 ILE 62 HG1 ILE 62 -4.170 2.277 -2.471 515 2HG1 ILE 62 HG1 ILE 62 -5.711 1.427 -2.568 516 1HG2 ILE 62 HG2 ILE 62 -5.435 5.555 -3.250 517 2HG2 ILE 62 HG2 ILE 62 -4.070 4.444 -3.332 518 3HG2 ILE 62 HG2 ILE 62 -4.597 5.081 -1.775 519 1HD1 ILE 62 HD1 ILE 62 -5.492 2.992 -4.924 520 2HD1 ILE 62 HD1 ILE 62 -5.432 1.234 -4.791 521 3HD1 ILE 62 HD1 ILE 62 -3.943 2.175 -4.709 522 H SER 63 HN SER 63 -8.611 4.286 -2.040 523 HA SER 63 HA SER 63 -8.582 7.038 -1.273 524 1HB SER 63 HB2 SER 63 -11.092 5.393 -1.454 525 2HB SER 63 HB1 SER 63 -10.777 7.002 -2.095 526 HG SER 63 HG SER 63 -10.340 5.993 -3.881 527 H LEU 64 HN LEU 64 -9.932 4.143 0.324 528 HA LEU 64 HA LEU 64 -11.098 5.473 2.571 529 1HB LEU 64 HB2 LEU 64 -10.040 2.714 1.965 530 2HB LEU 64 HB1 LEU 64 -10.662 3.097 3.572 531 HG LEU 64 HG LEU 64 -12.249 3.712 1.080 532 1HD1 LEU 64 HD1 LEU 64 -11.501 1.168 1.644 533 2HD1 LEU 64 HD1 LEU 64 -13.063 1.580 0.935 534 3HD1 LEU 64 HD1 LEU 64 -12.929 1.302 2.672 535 1HD2 LEU 64 HD2 LEU 64 -13.952 3.083 3.155 536 2HD2 LEU 64 HD2 LEU 64 -13.466 4.719 2.713 537 3HD2 LEU 64 HD2 LEU 64 -12.612 3.863 3.996 538 H LEU 65 HN LEU 65 -7.984 3.663 2.438 539 HA LEU 65 HA LEU 65 -7.008 4.640 4.947 540 1HB LEU 65 HB2 LEU 65 -5.664 3.620 2.425 541 2HB LEU 65 HB1 LEU 65 -4.782 3.935 3.918 542 HG LEU 65 HG LEU 65 -7.024 1.934 3.514 543 1HD1 LEU 65 HD1 LEU 65 -5.338 0.478 3.166 544 2HD1 LEU 65 HD1 LEU 65 -4.665 0.881 4.745 545 3HD1 LEU 65 HD1 LEU 65 -4.171 1.789 3.320 546 1HD2 LEU 65 HD2 LEU 65 -6.513 1.360 5.940 547 2HD2 LEU 65 HD2 LEU 65 -7.353 2.889 5.696 548 3HD2 LEU 65 HD2 LEU 65 -5.621 2.878 6.029 549 H LYS 66 HN LYS 66 -5.540 5.486 1.833 550 HA LYS 66 HA LYS 66 -4.548 7.507 1.111 551 1HB LYS 66 HB2 LYS 66 -7.189 7.719 1.268 552 2HB LYS 66 HB1 LYS 66 -6.797 8.898 2.519 553 1HG LYS 66 HG2 LYS 66 -6.276 10.423 0.952 554 2HG LYS 66 HG1 LYS 66 -5.067 9.335 0.272 555 1HD LYS 66 HD2 LYS 66 -6.655 9.826 -1.477 556 2HD LYS 66 HD1 LYS 66 -6.938 8.164 -0.958 557 1HE LYS 66 HE2 LYS 66 -9.122 9.042 -0.984 558 2HE LYS 66 HE1 LYS 66 -8.656 9.294 0.710 559 1HZ LYS 66 HZ1 LYS 66 -9.533 11.320 -0.458 560 2HZ LYS 66 HZ2 LYS 66 -8.136 11.286 -1.426 561 3HZ LYS 66 HZ3 LYS 66 -8.003 11.508 0.253 562 H THR 67 HN THR 67 -2.653 7.693 2.391 563 HA THR 67 HA THR 67 -2.815 9.704 4.561 564 HB THR 67 HB THR 67 -1.320 7.112 4.916 565 HG1 THR 67 HG1 THR 67 -3.933 7.728 5.828 566 1HG2 THR 67 HG2 THR 67 -1.146 7.754 7.172 567 2HG2 THR 67 HG2 THR 67 -2.482 8.898 7.042 568 3HG2 THR 67 HG2 THR 67 -0.927 9.271 6.299 569 HA PRO 68 HA PRO 68 0.734 10.319 1.695 570 1HB PRO 68 HB2 PRO 68 0.614 13.054 1.784 571 2HB PRO 68 HB1 PRO 68 -0.369 12.077 0.674 572 1HG PRO 68 HG2 PRO 68 -1.125 13.298 3.288 573 2HG PRO 68 HG1 PRO 68 -2.044 13.219 1.776 574 1HD PRO 68 HD2 PRO 68 -2.523 11.565 3.851 575 2HD PRO 68 HD1 PRO 68 -2.742 11.063 2.158 576 H LYS 69 HN LYS 69 2.782 11.643 2.146 577 HA LYS 69 HA LYS 69 3.261 12.716 4.796 578 1HB LYS 69 HB2 LYS 69 4.636 10.836 5.615 579 2HB LYS 69 HB1 LYS 69 2.989 10.297 5.289 580 1HG LYS 69 HG2 LYS 69 3.696 8.844 3.718 581 2HG LYS 69 HG1 LYS 69 4.648 10.091 2.911 582 1HD LYS 69 HD2 LYS 69 6.498 9.754 4.443 583 2HD LYS 69 HD1 LYS 69 5.542 8.634 5.414 584 1HE LYS 69 HE2 LYS 69 5.306 7.269 3.198 585 2HE LYS 69 HE1 LYS 69 6.711 8.214 2.665 586 1HZ LYS 69 HZ1 LYS 69 6.497 6.565 5.128 587 2HZ LYS 69 HZ2 LYS 69 7.789 7.619 4.801 588 3HZ LYS 69 HZ3 LYS 69 7.508 6.278 3.797 589 H GLN 70 HN GLN 70 3.818 13.586 2.138 590 HA GLN 70 HA GLN 70 6.801 13.305 1.968 591 1HB GLN 70 HB2 GLN 70 4.554 13.379 0.052 592 2HB GLN 70 HB1 GLN 70 5.937 14.367 -0.417 593 1HG GLN 70 HG2 GLN 70 7.433 12.440 -0.146 594 2HG GLN 70 HG1 GLN 70 6.074 11.443 0.376 595 1HE2 GLN 70 HE2 GLN 70 4.331 11.044 -1.269 596 2HE2 GLN 70 HE2 GLN 70 4.716 11.109 -2.921 597 H LEU 71 HN LEU 71 4.087 15.603 1.818 598 HA LEU 71 HA LEU 71 5.730 17.745 2.933 599 1HB LEU 71 HB2 LEU 71 5.554 19.156 0.869 600 2HB LEU 71 HB1 LEU 71 6.531 17.709 0.623 601 HG LEU 71 HG LEU 71 3.936 16.864 0.053 602 1HD1 LEU 71 HD1 LEU 71 2.742 18.692 -0.506 603 2HD1 LEU 71 HD1 LEU 71 3.840 18.902 -1.870 604 3HD1 LEU 71 HD1 LEU 71 4.156 19.735 -0.348 605 1HD2 LEU 71 HD2 LEU 71 5.362 17.763 -2.316 606 2HD2 LEU 71 HD2 LEU 71 5.044 16.118 -1.766 607 3HD2 LEU 71 HD2 LEU 71 6.459 16.987 -1.173 Start of MODEL 9 1 1H THR 1 HT1 THR 1 9.391 20.462 2.227 2 2H THR 1 HT2 THR 1 9.095 19.491 3.589 3 3H THR 1 HT3 THR 1 9.486 18.773 2.101 4 HA THR 1 HA THR 1 11.705 19.842 2.200 5 HB THR 1 HB THR 1 10.963 20.468 5.054 6 HG1 THR 1 HG1 THR 1 10.637 22.660 4.108 7 1HG2 THR 1 HG2 THR 1 12.897 21.728 5.052 8 2HG2 THR 1 HG2 THR 1 12.786 22.089 3.329 9 3HG2 THR 1 HG2 THR 1 13.345 20.504 3.864 10 H ARG 2 HN ARG 2 13.214 18.260 2.670 11 HA ARG 2 HA ARG 2 14.067 16.212 3.489 12 1HB ARG 2 HB2 ARG 2 13.645 17.908 5.530 13 2HB ARG 2 HB1 ARG 2 12.520 16.636 6.007 14 1HG ARG 2 HG2 ARG 2 14.192 15.209 6.557 15 2HG ARG 2 HG1 ARG 2 15.119 15.606 5.109 16 1HD ARG 2 HD2 ARG 2 15.060 17.865 6.944 17 2HD ARG 2 HD1 ARG 2 15.729 16.417 7.723 18 HE ARG 2 HE ARG 2 17.053 16.261 5.423 19 1HH1 ARG 2 HH1 ARG 2 18.131 17.865 7.829 20 2HH1 ARG 2 HH1 ARG 2 18.637 19.319 7.036 21 1HH2 ARG 2 HH2 ARG 2 16.874 18.660 4.124 22 2HH2 ARG 2 HH2 ARG 2 17.926 19.770 4.939 23 H GLY 3 HN GLY 3 12.073 15.581 1.846 24 1HA GLY 3 HA2 GLY 3 10.785 13.296 3.158 25 2HA GLY 3 HA1 GLY 3 9.661 14.523 2.568 26 H SER 4 HN SER 4 12.696 13.202 1.210 27 HA SER 4 HA SER 4 11.691 13.231 -1.494 28 1HB SER 4 HB2 SER 4 13.946 11.532 -0.417 29 2HB SER 4 HB1 SER 4 13.823 12.309 -1.994 30 HG SER 4 HG SER 4 14.962 13.796 -1.009 31 H ASP 5 HN ASP 5 11.783 11.058 -2.797 32 HA ASP 5 HA ASP 5 9.929 9.169 -1.479 33 1HB ASP 5 HB2 ASP 5 9.423 10.084 -3.700 34 2HB ASP 5 HB1 ASP 5 10.958 9.471 -4.318 35 H ILE 6 HN ILE 6 11.664 8.256 -0.053 36 HA ILE 6 HA ILE 6 13.660 6.558 -1.495 37 HB ILE 6 HB ILE 6 13.427 7.234 1.456 38 1HG1 ILE 6 HG1 ILE 6 13.640 9.308 0.134 39 2HG1 ILE 6 HG1 ILE 6 15.134 8.975 1.011 40 1HG2 ILE 6 HG2 ILE 6 15.103 5.485 -0.048 41 2HG2 ILE 6 HG2 ILE 6 15.200 5.870 1.671 42 3HG2 ILE 6 HG2 ILE 6 16.096 6.835 0.498 43 1HD1 ILE 6 HD1 ILE 6 16.270 8.975 -0.927 44 2HD1 ILE 6 HD1 ILE 6 14.775 9.291 -1.808 45 3HD1 ILE 6 HD1 ILE 6 15.284 7.631 -1.502 46 H SER 7 HN SER 7 10.877 5.768 -1.455 47 HA SER 7 HA SER 7 10.694 3.647 0.600 48 1HB SER 7 HB2 SER 7 8.844 5.279 -0.178 49 2HB SER 7 HB1 SER 7 8.751 4.279 -1.625 50 HG SER 7 HG SER 7 8.110 2.577 -0.413 51 H LYS 8 HN LYS 8 12.810 3.134 -1.139 52 HA LYS 8 HA LYS 8 12.210 1.671 -3.504 53 1HB LYS 8 HB2 LYS 8 14.427 1.413 -1.447 54 2HB LYS 8 HB1 LYS 8 14.472 0.670 -3.047 55 1HG LYS 8 HG2 LYS 8 13.949 3.621 -2.768 56 2HG LYS 8 HG1 LYS 8 15.601 3.003 -2.712 57 1HD LYS 8 HD2 LYS 8 15.186 1.835 -4.887 58 2HD LYS 8 HD1 LYS 8 13.603 2.611 -4.959 59 1HE LYS 8 HE2 LYS 8 14.522 4.528 -5.743 60 2HE LYS 8 HE1 LYS 8 15.687 4.568 -4.405 61 1HZ LYS 8 HZ1 LYS 8 16.924 4.250 -6.397 62 2HZ LYS 8 HZ2 LYS 8 15.892 3.009 -6.924 63 3HZ LYS 8 HZ3 LYS 8 16.908 2.761 -5.586 64 H THR 9 HN THR 9 10.486 0.216 -3.244 65 HA THR 9 HA THR 9 11.141 -2.334 -1.956 66 HB THR 9 HB THR 9 8.959 -0.494 -0.924 67 HG1 THR 9 HG1 THR 9 10.184 -0.426 0.878 68 1HG2 THR 9 HG2 THR 9 8.038 -2.686 -0.888 69 2HG2 THR 9 HG2 THR 9 8.647 -2.404 0.742 70 3HG2 THR 9 HG2 THR 9 9.570 -3.400 -0.385 71 H CYS 10 HN CYS 10 10.775 -2.810 -4.331 72 HA CYS 10 HA CYS 10 8.301 -2.405 -5.672 73 1HB CYS 10 HB2 CYS 10 10.266 -4.716 -5.856 74 2HB CYS 10 HB1 CYS 10 9.125 -4.230 -7.107 75 H CYS 11 HN CYS 11 6.983 -4.578 -6.322 76 HA CYS 11 HA CYS 11 6.421 -6.126 -3.821 77 1HB CYS 11 HB2 CYS 11 4.643 -4.377 -5.491 78 2HB CYS 11 HB1 CYS 11 3.942 -5.772 -4.671 79 H PHE 12 HN PHE 12 6.187 -8.284 -4.235 80 HA PHE 12 HA PHE 12 5.573 -9.139 -7.032 81 1HB PHE 12 HB2 PHE 12 7.201 -11.026 -6.546 82 2HB PHE 12 HB1 PHE 12 7.943 -9.430 -6.634 83 HD1 PHE 12 HD1 PHE 12 6.714 -12.053 -4.303 84 HD2 PHE 12 HD2 PHE 12 8.979 -8.429 -4.729 85 HE1 PHE 12 HE1 PHE 12 7.572 -12.317 -1.992 86 HE2 PHE 12 HE2 PHE 12 9.838 -8.692 -2.418 87 HZ PHE 12 HZ PHE 12 9.134 -10.637 -1.049 88 H GLN 13 HN GLN 13 3.961 -8.862 -4.462 89 HA GLN 13 HA GLN 13 2.718 -11.543 -4.573 90 1HB GLN 13 HB2 GLN 13 4.607 -11.290 -2.776 91 2HB GLN 13 HB1 GLN 13 3.413 -10.325 -1.907 92 1HG GLN 13 HG2 GLN 13 2.129 -12.135 -1.400 93 2HG GLN 13 HG1 GLN 13 2.396 -12.885 -2.974 94 1HE2 GLN 13 HE2 GLN 13 3.992 -14.515 -3.108 95 2HE2 GLN 13 HE2 GLN 13 5.015 -14.944 -1.824 96 H TYR 14 HN TYR 14 0.619 -10.947 -5.029 97 HA TYR 14 HA TYR 14 -0.489 -8.542 -3.650 98 1HB TYR 14 HB2 TYR 14 -1.370 -9.967 -6.178 99 2HB TYR 14 HB1 TYR 14 -2.002 -8.435 -5.576 100 HD1 TYR 14 HD1 TYR 14 0.444 -7.061 -4.667 101 HD2 TYR 14 HD2 TYR 14 -0.251 -9.436 -8.179 102 HE1 TYR 14 HE1 TYR 14 2.259 -5.849 -5.847 103 HE2 TYR 14 HE2 TYR 14 1.563 -8.225 -9.358 104 HH TYR 14 HH TYR 14 3.670 -5.986 -7.679 105 H SER 15 HN SER 15 -2.039 -8.926 -2.127 106 HA SER 15 HA SER 15 -3.053 -11.629 -1.664 107 1HB SER 15 HB2 SER 15 -4.155 -10.482 0.243 108 2HB SER 15 HB1 SER 15 -2.451 -10.050 0.136 109 HG SER 15 HG SER 15 -4.741 -8.553 -0.522 110 H HIS 16 HN HIS 16 -5.429 -12.069 -1.568 111 HA HIS 16 HA HIS 16 -6.955 -10.411 -3.555 112 1HB HIS 16 HB2 HIS 16 -6.094 -13.050 -3.722 113 2HB HIS 16 HB1 HIS 16 -7.777 -13.203 -3.215 114 HD1 HIS 16 HD1 HIS 16 -5.737 -12.685 -6.167 115 HD2 HIS 16 HD2 HIS 16 -9.581 -11.574 -4.995 116 HE1 HIS 16 HE1 HIS 16 -6.968 -12.028 -8.280 117 H LYS 17 HN LYS 17 -7.019 -9.891 -0.732 118 HA LYS 17 HA LYS 17 -9.890 -10.385 -0.221 119 1HB LYS 17 HB2 LYS 17 -7.594 -11.643 1.156 120 2HB LYS 17 HB1 LYS 17 -8.823 -10.974 2.231 121 1HG LYS 17 HG2 LYS 17 -10.115 -12.358 0.064 122 2HG LYS 17 HG1 LYS 17 -8.924 -13.426 0.806 123 1HD LYS 17 HD2 LYS 17 -10.995 -11.853 2.364 124 2HD LYS 17 HD1 LYS 17 -11.185 -13.543 1.894 125 1HE LYS 17 HE2 LYS 17 -8.606 -13.025 3.198 126 2HE LYS 17 HE1 LYS 17 -9.998 -12.686 4.245 127 1HZ LYS 17 HZ1 LYS 17 -9.583 -15.161 2.651 128 2HZ LYS 17 HZ2 LYS 17 -10.944 -14.826 3.611 129 3HZ LYS 17 HZ3 LYS 17 -9.420 -15.033 4.334 130 HA PRO 18 HA PRO 18 -9.460 -6.279 1.333 131 1HB PRO 18 HB2 PRO 18 -11.729 -6.118 2.849 132 2HB PRO 18 HB1 PRO 18 -11.748 -6.065 1.074 133 1HG PRO 18 HG2 PRO 18 -12.369 -8.320 2.906 134 2HG PRO 18 HG1 PRO 18 -13.134 -7.863 1.377 135 1HD PRO 18 HD2 PRO 18 -11.330 -9.903 1.623 136 2HD PRO 18 HD1 PRO 18 -11.595 -8.994 0.121 137 H LEU 19 HN LEU 19 -8.028 -5.760 2.915 138 HA LEU 19 HA LEU 19 -7.572 -7.368 5.265 139 1HB LEU 19 HB2 LEU 19 -6.184 -5.588 3.802 140 2HB LEU 19 HB1 LEU 19 -6.758 -4.492 5.054 141 HG LEU 19 HG LEU 19 -4.497 -5.510 5.510 142 1HD1 LEU 19 HD1 LEU 19 -5.099 -4.942 7.594 143 2HD1 LEU 19 HD1 LEU 19 -5.692 -6.587 7.815 144 3HD1 LEU 19 HD1 LEU 19 -6.789 -5.322 7.264 145 1HD2 LEU 19 HD2 LEU 19 -5.579 -8.033 6.490 146 2HD2 LEU 19 HD2 LEU 19 -4.169 -7.741 5.472 147 3HD2 LEU 19 HD2 LEU 19 -5.769 -7.876 4.744 148 HA PRO 20 HA PRO 20 -10.885 -5.703 7.716 149 1HB PRO 20 HB2 PRO 20 -9.898 -6.373 10.196 150 2HB PRO 20 HB1 PRO 20 -10.680 -7.538 9.109 151 1HG PRO 20 HG2 PRO 20 -7.766 -7.010 9.528 152 2HG PRO 20 HG1 PRO 20 -8.622 -8.560 9.416 153 1HD PRO 20 HD2 PRO 20 -7.275 -7.589 7.325 154 2HD PRO 20 HD1 PRO 20 -8.822 -8.434 7.101 155 H TRP 21 HN TRP 21 -10.865 -3.496 7.682 156 HA TRP 21 HA TRP 21 -8.828 -1.676 8.057 157 1HB TRP 21 HB2 TRP 21 -11.753 -1.595 8.817 158 2HB TRP 21 HB1 TRP 21 -10.726 -0.158 8.816 159 HD1 TRP 21 HD1 TRP 21 -12.467 -2.603 6.514 160 HE1 TRP 21 HE1 TRP 21 -12.215 -1.803 4.075 161 HE3 TRP 21 HE3 TRP 21 -9.109 1.186 7.171 162 HZ2 TRP 21 HZ2 TRP 21 -10.774 0.179 2.599 163 HZ3 TRP 21 HZ3 TRP 21 -8.311 2.510 5.234 164 HH2 TRP 21 HH2 TRP 21 -9.140 2.013 2.951 165 H THR 22 HN THR 22 -10.453 -3.503 10.578 166 HA THR 22 HA THR 22 -9.857 -1.976 12.870 167 HB THR 22 HB THR 22 -9.680 -4.371 13.875 168 HG1 THR 22 HG1 THR 22 -10.078 -5.999 12.499 169 1HG2 THR 22 HG2 THR 22 -12.159 -3.927 12.229 170 2HG2 THR 22 HG2 THR 22 -11.756 -2.829 13.549 171 3HG2 THR 22 HG2 THR 22 -12.023 -4.542 13.876 172 H TRP 23 HN TRP 23 -7.755 -4.079 10.939 173 HA TRP 23 HA TRP 23 -5.466 -3.384 12.726 174 1HB TRP 23 HB2 TRP 23 -5.705 -5.609 10.680 175 2HB TRP 23 HB1 TRP 23 -4.468 -5.442 11.924 176 HD1 TRP 23 HD1 TRP 23 -6.503 -4.632 14.294 177 HE1 TRP 23 HE1 TRP 23 -7.959 -6.483 15.342 178 HE3 TRP 23 HE3 TRP 23 -6.348 -8.100 10.547 179 HZ2 TRP 23 HZ2 TRP 23 -8.929 -9.091 14.678 180 HZ3 TRP 23 HZ3 TRP 23 -7.547 -10.258 10.782 181 HH2 TRP 23 HH2 TRP 23 -8.836 -10.757 12.841 182 H VAL 24 HN VAL 24 -6.820 -2.196 10.009 183 HA VAL 24 HA VAL 24 -4.391 -2.118 8.332 184 HB VAL 24 HB VAL 24 -7.120 -0.832 8.047 185 1HG1 VAL 24 HG1 VAL 24 -4.755 -0.270 6.688 186 2HG1 VAL 24 HG1 VAL 24 -6.386 0.088 6.116 187 3HG1 VAL 24 HG1 VAL 24 -5.588 -1.406 5.627 188 1HG2 VAL 24 HG2 VAL 24 -7.780 -2.725 6.827 189 2HG2 VAL 24 HG2 VAL 24 -6.802 -3.444 8.106 190 3HG2 VAL 24 HG2 VAL 24 -6.116 -3.208 6.500 191 H ARG 25 HN ARG 25 -2.900 -0.501 8.510 192 HA ARG 25 HA ARG 25 -3.549 1.854 10.211 193 1HB ARG 25 HB2 ARG 25 -1.577 0.436 10.691 194 2HB ARG 25 HB1 ARG 25 -0.947 0.776 9.078 195 1HG ARG 25 HG2 ARG 25 -0.309 2.904 9.625 196 2HG ARG 25 HG1 ARG 25 -1.673 3.142 10.719 197 1HD ARG 25 HD2 ARG 25 -0.559 2.210 12.528 198 2HD ARG 25 HD1 ARG 25 0.429 1.150 11.504 199 HE ARG 25 HE ARG 25 1.884 3.008 11.029 200 1HH1 ARG 25 HH2 ARG 25 0.367 3.359 13.924 201 2HH1 ARG 25 HH2 ARG 25 0.459 5.087 14.002 202 1HH2 ARG 25 HH1 ARG 25 1.491 5.446 10.711 203 2HH2 ARG 25 HH1 ARG 25 1.094 6.270 12.183 204 H SER 26 HN SER 26 -1.881 1.182 7.097 205 HA SER 26 HA SER 26 -3.205 3.415 5.768 206 1HB SER 26 HB2 SER 26 -1.193 4.829 5.615 207 2HB SER 26 HB1 SER 26 -1.607 4.547 7.303 208 HG SER 26 HG SER 26 0.326 3.142 5.764 209 H TYR 27 HN TYR 27 -0.968 3.886 3.939 210 HA TYR 27 HA TYR 27 -0.240 1.231 2.884 211 1HB TYR 27 HB2 TYR 27 -1.536 1.436 0.873 212 2HB TYR 27 HB1 TYR 27 -2.632 1.806 2.197 213 HD1 TYR 27 HD1 TYR 27 -0.922 3.083 -0.746 214 HD2 TYR 27 HD2 TYR 27 -3.217 4.191 2.710 215 HE1 TYR 27 HE1 TYR 27 -1.365 5.301 -1.756 216 HE2 TYR 27 HE2 TYR 27 -3.663 6.411 1.700 217 HH TYR 27 HH TYR 27 -1.974 7.555 -1.045 218 H GLU 28 HN GLU 28 0.549 1.901 0.368 219 HA GLU 28 HA GLU 28 1.858 4.417 0.017 220 1HB GLU 28 HB2 GLU 28 4.205 3.576 0.523 221 2HB GLU 28 HB1 GLU 28 3.182 3.786 1.943 222 1HG GLU 28 HG2 GLU 28 2.632 1.367 1.885 223 2HG GLU 28 HG1 GLU 28 3.711 1.170 0.503 224 H PHE 29 HN PHE 29 2.420 4.500 -2.144 225 HA PHE 29 HA PHE 29 2.089 2.100 -3.780 226 1HB PHE 29 HB2 PHE 29 1.753 4.811 -4.085 227 2HB PHE 29 HB1 PHE 29 3.255 4.538 -4.967 228 HD1 PHE 29 HD1 PHE 29 -0.296 4.375 -5.139 229 HD2 PHE 29 HD2 PHE 29 3.275 2.489 -6.607 230 HE1 PHE 29 HE1 PHE 29 -1.577 3.427 -7.040 231 HE2 PHE 29 HE2 PHE 29 1.993 1.541 -8.506 232 HZ PHE 29 HZ PHE 29 -0.433 2.010 -8.722 233 H THR 30 HN THR 30 3.733 0.971 -4.861 234 HA THR 30 HA THR 30 6.326 0.805 -3.715 235 HB THR 30 HB THR 30 6.763 -0.376 -5.987 236 HG1 THR 30 HG1 THR 30 5.177 0.747 -7.145 237 1HG2 THR 30 HG2 THR 30 5.565 -1.189 -3.671 238 2HG2 THR 30 HG2 THR 30 5.926 -2.258 -5.025 239 3HG2 THR 30 HG2 THR 30 4.313 -1.568 -4.852 240 H SER 31 HN SER 31 8.379 1.548 -4.531 241 HA SER 31 HA SER 31 8.548 4.230 -5.387 242 1HB SER 31 HB2 SER 31 10.918 3.518 -5.978 243 2HB SER 31 HB1 SER 31 10.395 3.073 -4.356 244 HG SER 31 HG SER 31 11.415 1.435 -5.916 245 H ASN 32 HN ASN 32 9.575 4.930 -7.542 246 HA ASN 32 HA ASN 32 7.961 3.847 -9.751 247 1HB ASN 32 HB2 ASN 32 9.624 6.220 -9.111 248 2HB ASN 32 HB1 ASN 32 9.565 5.772 -10.815 249 1HD2 ASN 32 HD2 ASN 32 8.285 7.866 -11.046 250 2HD2 ASN 32 HD2 ASN 32 6.620 7.831 -10.715 251 H SER 33 HN SER 33 11.259 3.645 -8.594 252 HA SER 33 HA SER 33 12.610 2.894 -10.983 253 1HB SER 33 HB2 SER 33 13.037 1.951 -8.130 254 2HB SER 33 HB1 SER 33 14.247 1.962 -9.410 255 HG SER 33 HG SER 33 13.947 3.840 -7.774 256 H CYS 34 HN CYS 34 10.407 1.113 -8.920 257 HA CYS 34 HA CYS 34 11.108 -1.562 -9.632 258 1HB CYS 34 HB2 CYS 34 8.476 -0.241 -8.897 259 2HB CYS 34 HB1 CYS 34 8.728 -1.986 -8.929 260 H SER 35 HN SER 35 10.210 -2.939 -11.275 261 HA SER 35 HA SER 35 9.515 -1.547 -13.775 262 1HB SER 35 HB2 SER 35 10.648 -4.049 -12.892 263 2HB SER 35 HB1 SER 35 9.329 -4.368 -14.014 264 HG SER 35 HG SER 35 11.463 -3.978 -14.964 265 H GLN 36 HN GLN 36 7.864 -3.261 -11.221 266 HA GLN 36 HA GLN 36 5.343 -3.216 -12.852 267 1HB GLN 36 HB2 GLN 36 6.683 -5.213 -11.169 268 2HB GLN 36 HB1 GLN 36 4.982 -4.995 -10.754 269 1HG GLN 36 HG2 GLN 36 5.972 -5.440 -13.582 270 2HG GLN 36 HG1 GLN 36 5.389 -6.734 -12.535 271 1HE2 GLN 36 HE2 GLN 36 4.394 -3.915 -14.416 272 2HE2 GLN 36 HE2 GLN 36 2.723 -4.177 -14.262 273 H ARG 37 HN ARG 37 4.603 -1.159 -12.142 274 HA ARG 37 HA ARG 37 4.724 -0.053 -9.561 275 1HB ARG 37 HB2 ARG 37 2.704 0.079 -11.810 276 2HB ARG 37 HB1 ARG 37 2.559 1.089 -10.371 277 1HG ARG 37 HG2 ARG 37 5.086 1.658 -10.890 278 2HG ARG 37 HG1 ARG 37 4.648 1.149 -12.521 279 1HD ARG 37 HD2 ARG 37 2.730 2.997 -11.194 280 2HD ARG 37 HD1 ARG 37 4.297 3.692 -11.655 281 HE ARG 37 HE ARG 37 3.633 2.251 -13.887 282 1HH1 ARG 37 HH2 ARG 37 0.759 2.535 -12.995 283 2HH1 ARG 37 HH2 ARG 37 0.283 3.989 -13.807 284 1HH2 ARG 37 HH1 ARG 37 3.532 4.991 -14.483 285 2HH2 ARG 37 HH1 ARG 37 1.853 5.379 -14.649 286 H ALA 38 HN ALA 38 3.621 -0.463 -7.652 287 HA ALA 38 HA ALA 38 1.123 -2.033 -7.677 288 1HB ALA 38 HB1 ALA 38 3.791 -2.979 -6.630 289 2HB ALA 38 HB2 ALA 38 2.663 -3.832 -7.684 290 3HB ALA 38 HB3 ALA 38 2.284 -3.619 -5.975 291 H VAL 39 HN VAL 39 -0.036 -1.815 -5.688 292 HA VAL 39 HA VAL 39 0.940 0.401 -3.945 293 HB VAL 39 HB VAL 39 -1.767 -0.928 -4.320 294 1HG1 VAL 39 HG1 VAL 39 -2.678 0.724 -2.896 295 2HG1 VAL 39 HG1 VAL 39 -1.223 1.717 -2.970 296 3HG1 VAL 39 HG1 VAL 39 -1.216 0.207 -2.059 297 1HG2 VAL 39 HG2 VAL 39 -1.922 0.381 -6.147 298 2HG2 VAL 39 HG2 VAL 39 -0.321 1.051 -5.836 299 3HG2 VAL 39 HG2 VAL 39 -1.744 1.798 -5.111 300 H ILE 40 HN ILE 40 0.863 0.118 -1.607 301 HA ILE 40 HA ILE 40 0.741 -2.745 -0.725 302 HB ILE 40 HB ILE 40 2.658 -0.509 -0.006 303 1HG1 ILE 40 HG1 ILE 40 3.558 -3.168 -0.962 304 2HG1 ILE 40 HG1 ILE 40 2.732 -2.162 -2.153 305 1HG2 ILE 40 HG2 ILE 40 1.791 -2.694 1.586 306 2HG2 ILE 40 HG2 ILE 40 3.127 -1.588 1.908 307 3HG2 ILE 40 HG2 ILE 40 3.415 -3.084 1.019 308 1HD1 ILE 40 HD1 ILE 40 4.412 -0.615 -2.205 309 2HD1 ILE 40 HD1 ILE 40 5.386 -1.969 -1.631 310 3HD1 ILE 40 HD1 ILE 40 4.759 -0.784 -0.484 311 H PHE 41 HN PHE 41 -0.582 -3.080 1.016 312 HA PHE 41 HA PHE 41 -1.723 -0.698 2.417 313 1HB PHE 41 HB2 PHE 41 -2.566 -3.579 1.990 314 2HB PHE 41 HB1 PHE 41 -3.380 -2.538 3.156 315 HD1 PHE 41 HD1 PHE 41 -4.023 -3.842 0.174 316 HD2 PHE 41 HD2 PHE 41 -3.411 0.068 1.842 317 HE1 PHE 41 HE1 PHE 41 -5.375 -2.851 -1.653 318 HE2 PHE 41 HE2 PHE 41 -4.761 1.060 0.014 319 HZ PHE 41 HZ PHE 41 -5.744 -0.401 -1.733 320 H THR 42 HN THR 42 -0.968 -0.344 4.503 321 HA THR 42 HA THR 42 0.621 -2.518 5.752 322 HB THR 42 HB THR 42 0.594 0.113 7.029 323 HG1 THR 42 HG1 THR 42 1.754 1.064 5.242 324 1HG2 THR 42 HG2 THR 42 2.333 -1.450 7.519 325 2HG2 THR 42 HG2 THR 42 3.073 -0.174 6.551 326 3HG2 THR 42 HG2 THR 42 2.654 -1.715 5.806 327 H THR 43 HN THR 43 0.122 -3.303 7.809 328 HA THR 43 HA THR 43 -2.622 -2.727 8.776 329 HB THR 43 HB THR 43 -2.183 -4.805 10.103 330 HG1 THR 43 HG1 THR 43 -0.229 -5.555 10.225 331 1HG2 THR 43 HG2 THR 43 -1.507 -4.980 7.153 332 2HG2 THR 43 HG2 THR 43 -3.131 -4.961 7.838 333 3HG2 THR 43 HG2 THR 43 -2.056 -6.322 8.158 334 H LYS 44 HN LYS 44 -2.389 -3.346 11.454 335 HA LYS 44 HA LYS 44 -1.060 -0.931 12.515 336 1HB LYS 44 HB2 LYS 44 -3.351 -2.509 13.061 337 2HB LYS 44 HB1 LYS 44 -2.311 -2.629 14.479 338 1HG LYS 44 HG2 LYS 44 -2.576 -0.432 15.021 339 2HG LYS 44 HG1 LYS 44 -2.548 0.087 13.335 340 1HD LYS 44 HD2 LYS 44 -4.910 -1.518 13.985 341 2HD LYS 44 HD1 LYS 44 -4.806 -0.039 14.941 342 1HE LYS 44 HE2 LYS 44 -4.095 0.539 12.198 343 2HE LYS 44 HE1 LYS 44 -5.681 -0.255 12.261 344 1HZ LYS 44 HZ1 LYS 44 -4.788 2.183 13.677 345 2HZ LYS 44 HZ2 LYS 44 -6.109 1.274 14.239 346 3HZ LYS 44 HZ3 LYS 44 -6.153 1.976 12.693 347 H ARG 45 HN ARG 45 -0.587 -4.407 12.476 348 HA ARG 45 HA ARG 45 1.280 -4.442 14.731 349 1HB ARG 45 HB2 ARG 45 -0.262 -6.299 13.835 350 2HB ARG 45 HB1 ARG 45 0.931 -6.511 12.552 351 1HG ARG 45 HG2 ARG 45 1.769 -8.011 14.099 352 2HG ARG 45 HG1 ARG 45 2.614 -6.552 14.619 353 1HD ARG 45 HD2 ARG 45 0.254 -6.312 16.001 354 2HD ARG 45 HD1 ARG 45 0.490 -8.072 15.998 355 HE ARG 45 HE ARG 45 2.398 -6.084 17.122 356 1HH1 ARG 45 HH2 ARG 45 2.907 -8.943 15.622 357 2HH1 ARG 45 HH2 ARG 45 3.443 -9.828 17.011 358 1HH2 ARG 45 HH1 ARG 45 2.476 -7.382 19.271 359 2HH2 ARG 45 HH1 ARG 45 3.198 -8.943 19.078 360 H GLY 46 HN GLY 46 1.484 -3.941 11.277 361 1HA GLY 46 HA2 GLY 46 3.577 -2.732 10.560 362 2HA GLY 46 HA1 GLY 46 4.468 -3.920 11.511 363 H LYS 47 HN LYS 47 1.788 -5.306 9.922 364 HA LYS 47 HA LYS 47 3.580 -6.758 8.099 365 1HB LYS 47 HB2 LYS 47 1.198 -7.227 9.527 366 2HB LYS 47 HB1 LYS 47 0.739 -7.278 7.825 367 1HG LYS 47 HG2 LYS 47 2.598 -8.875 7.396 368 2HG LYS 47 HG1 LYS 47 2.974 -8.867 9.120 369 1HD LYS 47 HD2 LYS 47 1.469 -10.522 9.377 370 2HD LYS 47 HD1 LYS 47 0.210 -9.355 8.975 371 1HE LYS 47 HE2 LYS 47 0.703 -9.872 6.513 372 2HE LYS 47 HE1 LYS 47 1.643 -11.257 7.102 373 1HZ LYS 47 HZ1 LYS 47 -0.276 -11.987 8.370 374 2HZ LYS 47 HZ2 LYS 47 -0.677 -11.867 6.723 375 3HZ LYS 47 HZ3 LYS 47 -1.183 -10.667 7.813 376 H LYS 48 HN LYS 48 4.141 -5.221 6.463 377 HA LYS 48 HA LYS 48 2.084 -3.631 5.114 378 1HB LYS 48 HB2 LYS 48 4.903 -4.210 4.170 379 2HB LYS 48 HB1 LYS 48 3.938 -2.766 3.876 380 1HG LYS 48 HG2 LYS 48 4.064 -2.949 6.663 381 2HG LYS 48 HG1 LYS 48 5.685 -3.387 6.123 382 1HD LYS 48 HD2 LYS 48 4.339 -1.014 4.878 383 2HD LYS 48 HD1 LYS 48 5.046 -0.847 6.486 384 1HE LYS 48 HE2 LYS 48 6.688 -2.152 4.334 385 2HE LYS 48 HE1 LYS 48 6.540 -0.383 4.350 386 1HZ LYS 48 HZ1 LYS 48 8.367 -1.427 5.783 387 2HZ LYS 48 HZ2 LYS 48 7.109 -1.893 6.825 388 3HZ LYS 48 HZ3 LYS 48 7.381 -0.248 6.499 389 H VAL 49 HN VAL 49 0.705 -4.596 3.665 390 HA VAL 49 HA VAL 49 1.615 -7.065 2.252 391 HB VAL 49 HB VAL 49 -1.132 -5.799 2.503 392 1HG1 VAL 49 HG1 VAL 49 -1.909 -8.064 1.891 393 2HG1 VAL 49 HG1 VAL 49 -0.234 -8.594 1.734 394 3HG1 VAL 49 HG1 VAL 49 -0.883 -7.383 0.629 395 1HG2 VAL 49 HG2 VAL 49 0.497 -7.197 4.441 396 2HG2 VAL 49 HG2 VAL 49 -0.923 -8.166 4.046 397 3HG2 VAL 49 HG2 VAL 49 -1.119 -6.517 4.643 398 H CYS 50 HN CYS 50 2.002 -7.035 0.067 399 HA CYS 50 HA CYS 50 1.832 -4.508 -1.418 400 1HB CYS 50 HB2 CYS 50 2.802 -7.323 -1.904 401 2HB CYS 50 HB1 CYS 50 2.678 -6.188 -3.246 402 H THR 51 HN THR 51 0.656 -4.367 -3.492 403 HA THR 51 HA THR 51 -1.404 -6.368 -4.106 404 HB THR 51 HB THR 51 -3.096 -4.295 -3.847 405 HG1 THR 51 HG1 THR 51 -1.353 -2.975 -3.058 406 1HG2 THR 51 HG2 THR 51 -2.441 -5.605 -1.263 407 2HG2 THR 51 HG2 THR 51 -2.778 -6.676 -2.622 408 3HG2 THR 51 HG2 THR 51 -3.983 -5.495 -2.110 409 H HIS 52 HN HIS 52 -2.960 -5.149 -5.863 410 HA HIS 52 HA HIS 52 -1.100 -3.713 -7.709 411 1HB HIS 52 HB2 HIS 52 -2.276 -6.176 -7.981 412 2HB HIS 52 HB1 HIS 52 -3.430 -5.138 -8.819 413 HD1 HIS 52 HD1 HIS 52 0.354 -4.767 -8.688 414 HD2 HIS 52 HD2 HIS 52 -2.666 -5.490 -11.469 415 HE1 HIS 52 HE1 HIS 52 1.458 -4.743 -10.967 416 HA PRO 53 HA PRO 53 -4.103 -0.460 -7.586 417 1HB PRO 53 HB2 PRO 53 -3.330 0.908 -9.824 418 2HB PRO 53 HB1 PRO 53 -2.417 0.952 -8.303 419 1HG PRO 53 HG2 PRO 53 -1.890 -0.601 -10.783 420 2HG PRO 53 HG1 PRO 53 -0.752 0.186 -9.679 421 1HD PRO 53 HD2 PRO 53 -1.252 -2.504 -9.693 422 2HD PRO 53 HD1 PRO 53 -0.683 -1.607 -8.268 423 H ARG 54 HN ARG 54 -3.750 -2.677 -10.237 424 HA ARG 54 HA ARG 54 -5.801 -1.772 -11.999 425 1HB ARG 54 HB2 ARG 54 -4.308 -4.266 -11.381 426 2HB ARG 54 HB1 ARG 54 -5.809 -4.470 -12.284 427 1HG ARG 54 HG2 ARG 54 -4.205 -4.143 -13.976 428 2HG ARG 54 HG1 ARG 54 -4.917 -2.541 -13.778 429 1HD ARG 54 HD2 ARG 54 -3.044 -1.967 -12.193 430 2HD ARG 54 HD1 ARG 54 -2.290 -3.519 -12.609 431 HE ARG 54 HE ARG 54 -3.064 -1.857 -14.912 432 1HH1 ARG 54 HH1 ARG 54 -0.861 -0.858 -12.824 433 2HH1 ARG 54 HH1 ARG 54 0.556 -1.233 -13.747 434 1HH2 ARG 54 HH2 ARG 54 -1.139 -3.196 -16.049 435 2HH2 ARG 54 HH2 ARG 54 0.398 -2.557 -15.571 436 H LYS 55 HN LYS 55 -5.942 -3.811 -9.087 437 HA LYS 55 HA LYS 55 -8.716 -4.564 -9.379 438 1HB LYS 55 HB2 LYS 55 -6.492 -4.835 -7.513 439 2HB LYS 55 HB1 LYS 55 -8.026 -4.618 -6.668 440 1HG LYS 55 HG2 LYS 55 -8.587 -6.746 -7.124 441 2HG LYS 55 HG1 LYS 55 -8.459 -6.414 -8.852 442 1HD LYS 55 HD2 LYS 55 -6.020 -6.962 -7.157 443 2HD LYS 55 HD1 LYS 55 -6.938 -8.265 -7.913 444 1HE LYS 55 HE2 LYS 55 -6.255 -6.001 -9.708 445 2HE LYS 55 HE1 LYS 55 -4.888 -6.999 -9.169 446 1HZ LYS 55 HZ1 LYS 55 -5.872 -8.929 -9.972 447 2HZ LYS 55 HZ2 LYS 55 -6.218 -7.798 -11.192 448 3HZ LYS 55 HZ3 LYS 55 -7.416 -8.234 -10.069 449 H LYS 56 HN LYS 56 -10.494 -3.310 -8.996 450 HA LYS 56 HA LYS 56 -10.347 -0.551 -8.271 451 1HB LYS 56 HB2 LYS 56 -12.158 -2.130 -9.435 452 2HB LYS 56 HB1 LYS 56 -12.812 -2.181 -7.797 453 1HG LYS 56 HG2 LYS 56 -13.884 -0.325 -8.830 454 2HG LYS 56 HG1 LYS 56 -12.627 0.380 -7.813 455 1HD LYS 56 HD2 LYS 56 -12.458 1.483 -9.930 456 2HD LYS 56 HD1 LYS 56 -11.118 0.338 -9.867 457 1HE LYS 56 HE2 LYS 56 -13.215 -1.167 -10.931 458 2HE LYS 56 HE1 LYS 56 -13.373 0.415 -11.719 459 1HZ LYS 56 HZ1 LYS 56 -11.753 -1.086 -12.826 460 2HZ LYS 56 HZ2 LYS 56 -10.802 -1.041 -11.418 461 3HZ LYS 56 HZ3 LYS 56 -11.076 0.380 -12.308 462 H TRP 57 HN TRP 57 -11.084 -3.461 -6.333 463 HA TRP 57 HA TRP 57 -11.896 -2.179 -3.949 464 1HB TRP 57 HB2 TRP 57 -11.812 -4.330 -3.118 465 2HB TRP 57 HB1 TRP 57 -11.631 -4.719 -4.824 466 HD1 TRP 57 HD1 TRP 57 -9.404 -5.811 -5.585 467 HE1 TRP 57 HE1 TRP 57 -7.261 -6.556 -4.359 468 HE3 TRP 57 HE3 TRP 57 -10.209 -3.667 -1.022 469 HZ2 TRP 57 HZ2 TRP 57 -6.050 -6.271 -1.782 470 HZ3 TRP 57 HZ3 TRP 57 -8.548 -3.920 0.799 471 HH2 TRP 57 HH2 TRP 57 -6.471 -5.221 0.425 472 H VAL 58 HN VAL 58 -8.675 -2.623 -5.306 473 HA VAL 58 HA VAL 58 -7.166 -1.928 -2.942 474 HB VAL 58 HB VAL 58 -6.604 -1.735 -5.913 475 1HG1 VAL 58 HG1 VAL 58 -4.171 -1.989 -4.926 476 2HG1 VAL 58 HG1 VAL 58 -4.900 -1.276 -3.488 477 3HG1 VAL 58 HG1 VAL 58 -4.923 -0.398 -5.017 478 1HG2 VAL 58 HG2 VAL 58 -6.050 -3.944 -5.840 479 2HG2 VAL 58 HG2 VAL 58 -7.065 -3.968 -4.399 480 3HG2 VAL 58 HG2 VAL 58 -5.317 -3.802 -4.242 481 H GLN 59 HN GLN 59 -8.095 -0.025 -5.838 482 HA GLN 59 HA GLN 59 -7.079 2.485 -4.997 483 1HB GLN 59 HB2 GLN 59 -9.426 1.619 -6.711 484 2HB GLN 59 HB1 GLN 59 -8.939 3.308 -6.563 485 1HG GLN 59 HG2 GLN 59 -6.842 1.280 -7.232 486 2HG GLN 59 HG1 GLN 59 -7.958 1.783 -8.502 487 1HE2 GLN 59 HE2 GLN 59 -7.418 3.697 -9.577 488 2HE2 GLN 59 HE2 GLN 59 -6.322 4.857 -8.997 489 H LYS 60 HN LYS 60 -9.871 0.654 -3.998 490 HA LYS 60 HA LYS 60 -11.282 2.876 -2.765 491 1HB LYS 60 HB2 LYS 60 -12.404 0.858 -3.599 492 2HB LYS 60 HB1 LYS 60 -11.462 -0.141 -2.491 493 1HG LYS 60 HG2 LYS 60 -12.455 1.266 -0.602 494 2HG LYS 60 HG1 LYS 60 -13.582 1.901 -1.800 495 1HD LYS 60 HD2 LYS 60 -13.543 -0.919 -2.122 496 2HD LYS 60 HD1 LYS 60 -13.695 -0.602 -0.394 497 1HE LYS 60 HE2 LYS 60 -15.449 1.240 -1.375 498 2HE LYS 60 HE1 LYS 60 -15.621 -0.054 -2.579 499 1HZ LYS 60 HZ1 LYS 60 -16.046 -1.634 -0.902 500 2HZ LYS 60 HZ2 LYS 60 -17.021 -0.299 -0.512 501 3HZ LYS 60 HZ3 LYS 60 -15.577 -0.577 0.339 502 H TYR 61 HN TYR 61 -9.021 0.340 -1.706 503 HA TYR 61 HA TYR 61 -9.229 1.036 1.121 504 1HB TYR 61 HB2 TYR 61 -7.785 -0.833 -0.652 505 2HB TYR 61 HB1 TYR 61 -6.891 -0.362 0.793 506 HD1 TYR 61 HD1 TYR 61 -7.160 -1.786 2.608 507 HD2 TYR 61 HD2 TYR 61 -10.464 -1.161 -0.065 508 HE1 TYR 61 HE1 TYR 61 -8.557 -3.313 3.976 509 HE2 TYR 61 HE2 TYR 61 -11.860 -2.689 1.301 510 HH TYR 61 HH TYR 61 -11.138 -3.580 4.372 511 H ILE 62 HN ILE 62 -7.374 2.167 -1.607 512 HA ILE 62 HA ILE 62 -5.243 3.405 -0.039 513 HB ILE 62 HB ILE 62 -6.226 3.739 -2.894 514 1HG1 ILE 62 HG1 ILE 62 -3.837 2.209 -1.827 515 2HG1 ILE 62 HG1 ILE 62 -5.393 1.458 -2.180 516 1HG2 ILE 62 HG2 ILE 62 -4.471 5.379 -1.443 517 2HG2 ILE 62 HG2 ILE 62 -4.649 5.323 -3.197 518 3HG2 ILE 62 HG2 ILE 62 -3.425 4.332 -2.404 519 1HD1 ILE 62 HD1 ILE 62 -5.178 2.508 -4.519 520 2HD1 ILE 62 HD1 ILE 62 -4.117 1.147 -4.157 521 3HD1 ILE 62 HD1 ILE 62 -3.487 2.793 -4.104 522 H SER 63 HN SER 63 -8.212 4.522 -1.671 523 HA SER 63 HA SER 63 -7.869 7.306 -0.916 524 1HB SER 63 HB2 SER 63 -10.362 5.781 -1.727 525 2HB SER 63 HB1 SER 63 -10.085 7.512 -1.890 526 HG SER 63 HG SER 63 -9.491 5.594 -3.604 527 H LEU 64 HN LEU 64 -9.264 4.473 0.597 528 HA LEU 64 HA LEU 64 -10.824 5.998 2.566 529 1HB LEU 64 HB2 LEU 64 -10.249 3.161 1.841 530 2HB LEU 64 HB1 LEU 64 -10.782 3.474 3.493 531 HG LEU 64 HG LEU 64 -12.241 4.563 1.077 532 1HD1 LEU 64 HD1 LEU 64 -13.727 2.693 1.169 533 2HD1 LEU 64 HD1 LEU 64 -13.009 2.108 2.669 534 3HD1 LEU 64 HD1 LEU 64 -12.102 2.011 1.161 535 1HD2 LEU 64 HD2 LEU 64 -14.107 4.623 2.804 536 2HD2 LEU 64 HD2 LEU 64 -12.773 5.734 3.112 537 3HD2 LEU 64 HD2 LEU 64 -12.892 4.226 4.018 538 H LEU 65 HN LEU 65 -7.905 3.907 2.667 539 HA LEU 65 HA LEU 65 -7.257 4.139 5.384 540 1HB LEU 65 HB2 LEU 65 -5.879 3.632 2.824 541 2HB LEU 65 HB1 LEU 65 -4.819 4.199 4.114 542 HG LEU 65 HG LEU 65 -6.719 1.841 4.298 543 1HD1 LEU 65 HD1 LEU 65 -4.221 0.879 4.774 544 2HD1 LEU 65 HD1 LEU 65 -3.854 2.159 3.618 545 3HD1 LEU 65 HD1 LEU 65 -4.975 0.871 3.178 546 1HD2 LEU 65 HD2 LEU 65 -5.143 3.394 6.278 547 2HD2 LEU 65 HD2 LEU 65 -5.051 1.639 6.425 548 3HD2 LEU 65 HD2 LEU 65 -6.615 2.449 6.504 549 H LYS 66 HN LYS 66 -6.614 6.447 2.769 550 HA LYS 66 HA LYS 66 -6.068 8.529 4.818 551 1HB LYS 66 HB2 LYS 66 -4.048 7.179 3.588 552 2HB LYS 66 HB1 LYS 66 -4.290 8.501 2.446 553 1HG LYS 66 HG2 LYS 66 -3.490 10.064 3.893 554 2HG LYS 66 HG1 LYS 66 -4.284 9.319 5.282 555 1HD LYS 66 HD2 LYS 66 -2.544 7.733 5.569 556 2HD LYS 66 HD1 LYS 66 -1.883 8.047 3.963 557 1HE LYS 66 HE2 LYS 66 -0.504 9.599 4.864 558 2HE LYS 66 HE1 LYS 66 -1.921 10.530 5.391 559 1HZ LYS 66 HZ1 LYS 66 -2.092 8.796 7.230 560 2HZ LYS 66 HZ2 LYS 66 -0.856 9.953 7.372 561 3HZ LYS 66 HZ3 LYS 66 -0.495 8.381 6.840 562 H THR 67 HN THR 67 -5.765 10.731 3.507 563 HA THR 67 HA THR 67 -8.188 11.117 1.948 564 HB THR 67 HB THR 67 -7.193 12.770 3.520 565 HG1 THR 67 HG1 THR 67 -8.227 14.068 2.260 566 1HG2 THR 67 HG2 THR 67 -5.045 13.475 3.372 567 2HG2 THR 67 HG2 THR 67 -5.133 13.653 1.620 568 3HG2 THR 67 HG2 THR 67 -4.810 12.071 2.331 569 HA PRO 68 HA PRO 68 -6.454 10.292 -2.031 570 1HB PRO 68 HB2 PRO 68 -8.193 11.729 -3.582 571 2HB PRO 68 HB1 PRO 68 -8.626 10.185 -2.821 572 1HG PRO 68 HG2 PRO 68 -9.263 12.964 -1.959 573 2HG PRO 68 HG1 PRO 68 -10.274 11.511 -1.920 574 1HD PRO 68 HD2 PRO 68 -9.013 12.510 0.275 575 2HD PRO 68 HD1 PRO 68 -9.382 10.784 0.063 576 H LYS 69 HN LYS 69 -5.175 11.369 -3.661 577 HA LYS 69 HA LYS 69 -3.969 13.879 -2.814 578 1HB LYS 69 HB2 LYS 69 -3.496 11.680 -4.626 579 2HB LYS 69 HB1 LYS 69 -3.244 13.208 -5.472 580 1HG LYS 69 HG2 LYS 69 -1.463 13.810 -4.149 581 2HG LYS 69 HG1 LYS 69 -2.105 12.983 -2.728 582 1HD LYS 69 HD2 LYS 69 -1.040 11.045 -3.230 583 2HD LYS 69 HD1 LYS 69 -1.433 11.171 -4.944 584 1HE LYS 69 HE2 LYS 69 0.569 12.145 -5.445 585 2HE LYS 69 HE1 LYS 69 0.523 13.179 -4.004 586 1HZ LYS 69 HZ1 LYS 69 0.972 11.176 -2.659 587 2HZ LYS 69 HZ2 LYS 69 2.244 11.547 -3.721 588 3HZ LYS 69 HZ3 LYS 69 1.172 10.281 -4.085 589 H GLN 70 HN GLN 70 -3.553 15.239 -5.198 590 HA GLN 70 HA GLN 70 -6.280 15.913 -6.227 591 1HB GLN 70 HB2 GLN 70 -4.448 17.471 -4.533 592 2HB GLN 70 HB1 GLN 70 -5.002 18.349 -5.959 593 1HG GLN 70 HG2 GLN 70 -6.816 16.922 -3.990 594 2HG GLN 70 HG1 GLN 70 -6.528 18.662 -4.020 595 1HE2 GLN 70 HE2 GLN 70 -9.156 17.719 -4.417 596 2HE2 GLN 70 HE2 GLN 70 -9.607 17.972 -6.033 597 H LEU 71 HN LEU 71 -6.186 17.082 -8.295 598 HA LEU 71 HA LEU 71 -3.809 16.315 -9.896 599 1HB LEU 71 HB2 LEU 71 -6.581 16.366 -10.256 600 2HB LEU 71 HB1 LEU 71 -5.994 17.699 -11.251 601 HG LEU 71 HG LEU 71 -4.166 15.848 -11.922 602 1HD1 LEU 71 HD1 LEU 71 -6.090 13.845 -12.218 603 2HD1 LEU 71 HD1 LEU 71 -6.294 14.400 -10.556 604 3HD1 LEU 71 HD1 LEU 71 -4.722 13.817 -11.106 605 1HD2 LEU 71 HD2 LEU 71 -5.667 15.315 -13.876 606 2HD2 LEU 71 HD2 LEU 71 -5.535 17.040 -13.532 607 3HD2 LEU 71 HD2 LEU 71 -6.972 16.149 -13.032 Start of MODEL 10 1 1H THR 1 HT1 THR 1 12.129 20.016 -0.224 2 2H THR 1 HT2 THR 1 13.058 20.642 -1.502 3 3H THR 1 HT3 THR 1 13.774 19.621 -0.348 4 HA THR 1 HA THR 1 11.853 18.903 -2.489 5 HB THR 1 HB THR 1 14.416 17.557 -1.665 6 HG1 THR 1 HG1 THR 1 14.116 19.948 -3.154 7 1HG2 THR 1 HG2 THR 1 13.395 16.381 -3.401 8 2HG2 THR 1 HG2 THR 1 14.461 17.470 -4.289 9 3HG2 THR 1 HG2 THR 1 12.745 17.844 -4.143 10 H ARG 2 HN ARG 2 13.620 17.472 0.291 11 HA ARG 2 HA ARG 2 11.203 16.180 1.305 12 1HB ARG 2 HB2 ARG 2 11.966 13.886 0.786 13 2HB ARG 2 HB1 ARG 2 11.756 14.822 -0.692 14 1HG ARG 2 HG2 ARG 2 14.099 15.151 -0.943 15 2HG ARG 2 HG1 ARG 2 14.426 14.626 0.708 16 1HD ARG 2 HD2 ARG 2 14.669 12.496 -0.014 17 2HD ARG 2 HD1 ARG 2 13.018 12.523 -0.663 18 HE ARG 2 HE ARG 2 15.019 13.943 -2.290 19 1HH1 ARG 2 HH2 ARG 2 15.839 11.077 -2.268 20 2HH1 ARG 2 HH2 ARG 2 14.919 10.417 -3.579 21 1HH2 ARG 2 HH1 ARG 2 12.714 13.086 -3.730 22 2HH2 ARG 2 HH1 ARG 2 13.154 11.553 -4.406 23 H GLY 3 HN GLY 3 12.051 14.380 3.003 24 1HA GLY 3 HA2 GLY 3 14.381 15.605 4.429 25 2HA GLY 3 HA1 GLY 3 12.980 14.942 5.271 26 H SER 4 HN SER 4 12.549 12.549 4.085 27 HA SER 4 HA SER 4 14.985 11.016 3.643 28 1HB SER 4 HB2 SER 4 13.681 11.221 6.340 29 2HB SER 4 HB1 SER 4 14.442 9.702 5.872 30 HG SER 4 HG SER 4 16.119 10.771 6.666 31 H ASP 5 HN ASP 5 14.430 9.043 2.690 32 HA ASP 5 HA ASP 5 11.926 7.675 3.205 33 1HB ASP 5 HB2 ASP 5 11.525 9.886 1.784 34 2HB ASP 5 HB1 ASP 5 12.055 8.856 0.454 35 H ILE 6 HN ILE 6 13.289 5.811 3.270 36 HA ILE 6 HA ILE 6 14.503 5.024 0.637 37 HB ILE 6 HB ILE 6 15.286 4.185 3.450 38 1HG1 ILE 6 HG1 ILE 6 17.309 5.749 2.236 39 2HG1 ILE 6 HG1 ILE 6 15.801 6.634 2.003 40 1HG2 ILE 6 HG2 ILE 6 16.165 2.534 2.086 41 2HG2 ILE 6 HG2 ILE 6 17.463 3.725 1.991 42 3HG2 ILE 6 HG2 ILE 6 16.280 3.603 0.688 43 1HD1 ILE 6 HD1 ILE 6 17.172 6.956 4.230 44 2HD1 ILE 6 HD1 ILE 6 16.402 5.438 4.691 45 3HD1 ILE 6 HD1 ILE 6 15.413 6.844 4.292 46 H SER 7 HN SER 7 11.786 4.507 1.091 47 HA SER 7 HA SER 7 11.539 1.762 2.149 48 1HB SER 7 HB2 SER 7 9.180 2.209 1.964 49 2HB SER 7 HB1 SER 7 9.932 3.687 2.558 50 HG SER 7 HG SER 7 9.961 4.411 0.363 51 H LYS 8 HN LYS 8 13.170 1.952 -0.221 52 HA LYS 8 HA LYS 8 11.713 1.446 -2.638 53 1HB LYS 8 HB2 LYS 8 14.477 0.748 -1.616 54 2HB LYS 8 HB1 LYS 8 13.962 0.367 -3.260 55 1HG LYS 8 HG2 LYS 8 13.233 2.910 -3.284 56 2HG LYS 8 HG1 LYS 8 14.430 3.043 -1.995 57 1HD LYS 8 HD2 LYS 8 16.180 2.222 -3.409 58 2HD LYS 8 HD1 LYS 8 15.030 1.723 -4.650 59 1HE LYS 8 HE2 LYS 8 14.631 4.521 -4.093 60 2HE LYS 8 HE1 LYS 8 16.344 4.231 -4.451 61 1HZ LYS 8 HZ1 LYS 8 15.667 2.918 -6.380 62 2HZ LYS 8 HZ2 LYS 8 15.099 4.515 -6.499 63 3HZ LYS 8 HZ3 LYS 8 14.037 3.264 -6.059 64 H THR 9 HN THR 9 10.019 -0.040 -1.957 65 HA THR 9 HA THR 9 10.995 -2.863 -1.697 66 HB THR 9 HB THR 9 8.476 -1.867 -0.393 67 HG1 THR 9 HG1 THR 9 11.090 -1.678 0.694 68 1HG2 THR 9 HG2 THR 9 10.205 -3.674 1.081 69 2HG2 THR 9 HG2 THR 9 9.846 -4.299 -0.528 70 3HG2 THR 9 HG2 THR 9 8.530 -3.895 0.575 71 H CYS 10 HN CYS 10 10.585 -3.093 -4.017 72 HA CYS 10 HA CYS 10 8.189 -2.432 -5.372 73 1HB CYS 10 HB2 CYS 10 10.059 -4.799 -5.720 74 2HB CYS 10 HB1 CYS 10 8.964 -4.171 -6.950 75 H CYS 11 HN CYS 11 6.734 -4.355 -6.283 76 HA CYS 11 HA CYS 11 5.986 -6.166 -4.017 77 1HB CYS 11 HB2 CYS 11 4.324 -4.259 -5.665 78 2HB CYS 11 HB1 CYS 11 3.587 -5.611 -4.807 79 H PHE 12 HN PHE 12 6.038 -8.248 -4.756 80 HA PHE 12 HA PHE 12 5.513 -8.736 -7.655 81 1HB PHE 12 HB2 PHE 12 6.869 -10.849 -7.171 82 2HB PHE 12 HB1 PHE 12 7.759 -9.332 -7.070 83 HD1 PHE 12 HD1 PHE 12 5.712 -11.609 -4.886 84 HD2 PHE 12 HD2 PHE 12 9.061 -8.934 -5.186 85 HE1 PHE 12 HE1 PHE 12 6.327 -12.112 -2.536 86 HE2 PHE 12 HE2 PHE 12 9.675 -9.438 -2.838 87 HZ PHE 12 HZ PHE 12 8.308 -11.027 -1.512 88 H GLN 13 HN GLN 13 4.344 -9.309 -4.474 89 HA GLN 13 HA GLN 13 2.483 -11.388 -5.543 90 1HB GLN 13 HB2 GLN 13 4.279 -11.296 -3.192 91 2HB GLN 13 HB1 GLN 13 2.662 -11.927 -2.876 92 1HG GLN 13 HG2 GLN 13 3.794 -12.977 -5.356 93 2HG GLN 13 HG1 GLN 13 4.784 -13.367 -3.951 94 1HE2 GLN 13 HE2 GLN 13 1.208 -13.092 -4.404 95 2HE2 GLN 13 HE2 GLN 13 0.866 -14.625 -3.763 96 H TYR 14 HN TYR 14 0.327 -10.917 -5.191 97 HA TYR 14 HA TYR 14 -0.293 -8.577 -3.441 98 1HB TYR 14 HB2 TYR 14 -1.777 -9.785 -5.796 99 2HB TYR 14 HB1 TYR 14 -2.256 -8.329 -4.928 100 HD1 TYR 14 HD1 TYR 14 0.489 -7.127 -4.478 101 HD2 TYR 14 HD2 TYR 14 -1.303 -8.905 -7.955 102 HE1 TYR 14 HE1 TYR 14 1.972 -5.775 -5.934 103 HE2 TYR 14 HE2 TYR 14 0.182 -7.552 -9.411 104 HH TYR 14 HH TYR 14 2.856 -6.246 -8.603 105 H SER 15 HN SER 15 -2.043 -8.770 -1.965 106 HA SER 15 HA SER 15 -2.613 -11.478 -1.019 107 1HB SER 15 HB2 SER 15 -3.861 -10.182 0.717 108 2HB SER 15 HB1 SER 15 -2.215 -9.592 0.494 109 HG SER 15 HG SER 15 -3.213 -7.754 0.201 110 H HIS 16 HN HIS 16 -4.302 -8.972 -2.848 111 HA HIS 16 HA HIS 16 -6.407 -9.001 -3.926 112 1HB HIS 16 HB2 HIS 16 -5.069 -11.047 -4.794 113 2HB HIS 16 HB1 HIS 16 -6.122 -12.004 -3.752 114 HD1 HIS 16 HD1 HIS 16 -7.225 -8.945 -5.694 115 HD2 HIS 16 HD2 HIS 16 -7.771 -13.078 -5.753 116 HE1 HIS 16 HE1 HIS 16 -9.054 -9.402 -7.385 117 H LYS 17 HN LYS 17 -6.901 -8.461 -1.379 118 HA LYS 17 HA LYS 17 -9.449 -9.709 -0.808 119 1HB LYS 17 HB2 LYS 17 -7.140 -11.097 -0.001 120 2HB LYS 17 HB1 LYS 17 -7.748 -10.331 1.468 121 1HG LYS 17 HG2 LYS 17 -9.582 -11.664 1.542 122 2HG LYS 17 HG1 LYS 17 -9.856 -11.529 -0.196 123 1HD LYS 17 HD2 LYS 17 -7.440 -13.040 0.343 124 2HD LYS 17 HD1 LYS 17 -8.823 -13.756 1.172 125 1HE LYS 17 HE2 LYS 17 -10.038 -13.383 -1.146 126 2HE LYS 17 HE1 LYS 17 -8.378 -13.378 -1.775 127 1HZ LYS 17 HZ1 LYS 17 -9.267 -15.425 0.160 128 2HZ LYS 17 HZ2 LYS 17 -7.955 -15.480 -0.918 129 3HZ LYS 17 HZ3 LYS 17 -9.544 -15.631 -1.501 130 HA PRO 18 HA PRO 18 -9.642 -5.886 1.395 131 1HB PRO 18 HB2 PRO 18 -11.894 -6.331 2.882 132 2HB PRO 18 HB1 PRO 18 -11.939 -5.990 1.141 133 1HG PRO 18 HG2 PRO 18 -12.181 -8.586 2.567 134 2HG PRO 18 HG1 PRO 18 -13.026 -8.006 1.125 135 1HD PRO 18 HD2 PRO 18 -10.926 -9.756 1.054 136 2HD PRO 18 HD1 PRO 18 -11.346 -8.661 -0.281 137 H LEU 19 HN LEU 19 -8.088 -5.615 2.949 138 HA LEU 19 HA LEU 19 -7.554 -7.475 5.088 139 1HB LEU 19 HB2 LEU 19 -6.287 -5.417 3.816 140 2HB LEU 19 HB1 LEU 19 -6.733 -4.636 5.331 141 HG LEU 19 HG LEU 19 -5.652 -7.342 5.694 142 1HD1 LEU 19 HD1 LEU 19 -4.366 -6.419 3.682 143 2HD1 LEU 19 HD1 LEU 19 -3.393 -6.883 5.077 144 3HD1 LEU 19 HD1 LEU 19 -3.746 -5.181 4.776 145 1HD2 LEU 19 HD2 LEU 19 -6.091 -5.544 7.445 146 2HD2 LEU 19 HD2 LEU 19 -4.712 -4.673 6.776 147 3HD2 LEU 19 HD2 LEU 19 -4.483 -6.266 7.497 148 HA PRO 20 HA PRO 20 -10.565 -6.117 8.023 149 1HB PRO 20 HB2 PRO 20 -9.263 -6.724 10.359 150 2HB PRO 20 HB1 PRO 20 -10.013 -7.953 9.321 151 1HG PRO 20 HG2 PRO 20 -7.152 -7.141 9.528 152 2HG PRO 20 HG1 PRO 20 -7.856 -8.759 9.360 153 1HD PRO 20 HD2 PRO 20 -6.756 -7.427 7.279 154 2HD PRO 20 HD1 PRO 20 -8.111 -8.560 7.082 155 H TRP 21 HN TRP 21 -10.747 -3.896 8.046 156 HA TRP 21 HA TRP 21 -8.830 -1.917 8.290 157 1HB TRP 21 HB2 TRP 21 -11.680 -2.116 9.279 158 2HB TRP 21 HB1 TRP 21 -10.781 -0.595 9.296 159 HD1 TRP 21 HD1 TRP 21 -12.629 -2.936 7.020 160 HE1 TRP 21 HE1 TRP 21 -12.591 -2.024 4.610 161 HE3 TRP 21 HE3 TRP 21 -9.226 0.834 7.558 162 HZ2 TRP 21 HZ2 TRP 21 -11.288 0.030 3.108 163 HZ3 TRP 21 HZ3 TRP 21 -8.606 2.251 5.623 164 HH2 TRP 21 HH2 TRP 21 -9.631 1.855 3.400 165 H THR 22 HN THR 22 -10.068 -3.941 10.882 166 HA THR 22 HA THR 22 -9.322 -2.386 13.141 167 HB THR 22 HB THR 22 -9.101 -4.729 14.167 168 HG1 THR 22 HG1 THR 22 -10.161 -5.660 11.748 169 1HG2 THR 22 HG2 THR 22 -11.593 -5.246 13.525 170 2HG2 THR 22 HG2 THR 22 -11.501 -3.695 12.690 171 3HG2 THR 22 HG2 THR 22 -11.215 -3.777 14.428 172 H TRP 23 HN TRP 23 -7.421 -4.572 11.084 173 HA TRP 23 HA TRP 23 -4.972 -3.937 12.653 174 1HB TRP 23 HB2 TRP 23 -5.620 -6.007 10.533 175 2HB TRP 23 HB1 TRP 23 -4.071 -5.877 11.358 176 HD1 TRP 23 HD1 TRP 23 -6.306 -5.043 14.002 177 HE1 TRP 23 HE1 TRP 23 -6.984 -7.095 15.408 178 HE3 TRP 23 HE3 TRP 23 -4.891 -8.788 10.834 179 HZ2 TRP 23 HZ2 TRP 23 -6.932 -9.951 15.214 180 HZ3 TRP 23 HZ3 TRP 23 -5.215 -11.163 11.468 181 HH2 TRP 23 HH2 TRP 23 -6.233 -11.748 13.652 182 H VAL 24 HN VAL 24 -6.505 -2.425 10.239 183 HA VAL 24 HA VAL 24 -4.202 -2.217 8.387 184 HB VAL 24 HB VAL 24 -6.975 -0.994 8.348 185 1HG1 VAL 24 HG1 VAL 24 -6.398 0.055 6.412 186 2HG1 VAL 24 HG1 VAL 24 -5.461 -1.326 5.843 187 3HG1 VAL 24 HG1 VAL 24 -4.737 -0.171 6.962 188 1HG2 VAL 24 HG2 VAL 24 -6.535 -3.598 8.159 189 2HG2 VAL 24 HG2 VAL 24 -6.001 -3.180 6.532 190 3HG2 VAL 24 HG2 VAL 24 -7.648 -2.808 7.041 191 H ARG 25 HN ARG 25 -2.969 -0.332 8.182 192 HA ARG 25 HA ARG 25 -3.541 1.834 10.178 193 1HB ARG 25 HB2 ARG 25 -1.485 0.156 10.271 194 2HB ARG 25 HB1 ARG 25 -0.815 1.261 9.072 195 1HG ARG 25 HG2 ARG 25 -0.941 3.117 10.555 196 2HG ARG 25 HG1 ARG 25 -1.992 2.247 11.674 197 1HD ARG 25 HD2 ARG 25 -0.240 1.074 12.618 198 2HD ARG 25 HD1 ARG 25 0.687 1.045 11.103 199 HE ARG 25 HE ARG 25 0.940 3.598 11.522 200 1HH1 ARG 25 HH1 ARG 25 -0.552 2.733 14.233 201 2HH1 ARG 25 HH1 ARG 25 0.767 2.978 15.330 202 1HH2 ARG 25 HH2 ARG 25 3.145 3.262 12.821 203 2HH2 ARG 25 HH2 ARG 25 2.861 3.277 14.530 204 H SER 26 HN SER 26 -1.968 1.188 7.017 205 HA SER 26 HA SER 26 -3.197 3.545 5.813 206 1HB SER 26 HB2 SER 26 -1.133 4.844 5.618 207 2HB SER 26 HB1 SER 26 -1.430 4.486 7.317 208 HG SER 26 HG SER 26 0.046 2.771 7.144 209 H TYR 27 HN TYR 27 -1.043 3.937 3.890 210 HA TYR 27 HA TYR 27 -0.464 1.305 2.715 211 1HB TYR 27 HB2 TYR 27 -1.936 1.515 0.850 212 2HB TYR 27 HB1 TYR 27 -2.911 1.967 2.243 213 HD1 TYR 27 HD1 TYR 27 -1.520 3.036 -0.910 214 HD2 TYR 27 HD2 TYR 27 -3.225 4.441 2.771 215 HE1 TYR 27 HE1 TYR 27 -1.955 5.238 -1.957 216 HE2 TYR 27 HE2 TYR 27 -3.663 6.645 1.725 217 HH TYR 27 HH TYR 27 -4.020 7.505 -0.670 218 H GLU 28 HN GLU 28 0.323 1.905 0.237 219 HA GLU 28 HA GLU 28 1.569 4.480 -0.138 220 1HB GLU 28 HB2 GLU 28 3.890 3.776 0.361 221 2HB GLU 28 HB1 GLU 28 2.873 3.639 1.795 222 1HG GLU 28 HG2 GLU 28 2.502 1.204 1.157 223 2HG GLU 28 HG1 GLU 28 3.780 1.412 -0.041 224 H PHE 29 HN PHE 29 2.257 4.625 -2.276 225 HA PHE 29 HA PHE 29 1.818 2.295 -4.002 226 1HB PHE 29 HB2 PHE 29 1.645 5.073 -4.187 227 2HB PHE 29 HB1 PHE 29 3.036 4.671 -5.194 228 HD1 PHE 29 HD1 PHE 29 2.736 2.691 -6.865 229 HD2 PHE 29 HD2 PHE 29 -0.528 4.800 -5.035 230 HE1 PHE 29 HE1 PHE 29 1.215 1.883 -8.648 231 HE2 PHE 29 HE2 PHE 29 -2.050 3.992 -6.818 232 HZ PHE 29 HZ PHE 29 -1.179 2.533 -8.625 233 H THR 30 HN THR 30 3.465 1.177 -5.140 234 HA THR 30 HA THR 30 5.995 0.795 -3.993 235 HB THR 30 HB THR 30 6.476 0.144 -6.550 236 HG1 THR 30 HG1 THR 30 4.511 1.354 -7.114 237 1HG2 THR 30 HG2 THR 30 5.490 -1.149 -4.285 238 2HG2 THR 30 HG2 THR 30 6.065 -1.925 -5.760 239 3HG2 THR 30 HG2 THR 30 4.347 -1.578 -5.558 240 H SER 31 HN SER 31 8.133 1.534 -4.655 241 HA SER 31 HA SER 31 8.392 4.349 -5.030 242 1HB SER 31 HB2 SER 31 10.798 3.706 -5.418 243 2HB SER 31 HB1 SER 31 10.094 2.964 -3.984 244 HG SER 31 HG SER 31 11.082 1.814 -6.227 245 H ASN 32 HN ASN 32 9.944 5.108 -6.967 246 HA ASN 32 HA ASN 32 8.448 4.544 -9.457 247 1HB ASN 32 HB2 ASN 32 9.066 6.837 -8.534 248 2HB ASN 32 HB1 ASN 32 10.738 6.461 -8.951 249 1HD2 ASN 32 HD2 ASN 32 10.701 8.217 -10.585 250 2HD2 ASN 32 HD2 ASN 32 9.904 7.990 -12.066 251 H SER 33 HN SER 33 10.938 2.977 -8.006 252 HA SER 33 HA SER 33 12.338 2.465 -10.597 253 1HB SER 33 HB2 SER 33 13.576 3.702 -8.745 254 2HB SER 33 HB1 SER 33 13.466 2.221 -7.799 255 HG SER 33 HG SER 33 14.512 2.292 -10.429 256 H CYS 34 HN CYS 34 10.082 0.958 -10.069 257 HA CYS 34 HA CYS 34 11.201 -1.648 -9.085 258 1HB CYS 34 HB2 CYS 34 8.546 -0.264 -8.796 259 2HB CYS 34 HB1 CYS 34 8.622 -2.024 -8.704 260 H SER 35 HN SER 35 10.665 -3.510 -10.331 261 HA SER 35 HA SER 35 10.411 -3.152 -13.163 262 1HB SER 35 HB2 SER 35 10.436 -5.365 -11.172 263 2HB SER 35 HB1 SER 35 9.788 -5.748 -12.764 264 HG SER 35 HG SER 35 12.339 -5.405 -12.000 265 H GLN 36 HN GLN 36 8.030 -3.596 -10.614 266 HA GLN 36 HA GLN 36 5.879 -3.364 -12.679 267 1HB GLN 36 HB2 GLN 36 6.469 -5.740 -11.731 268 2HB GLN 36 HB1 GLN 36 5.615 -5.179 -10.293 269 1HG GLN 36 HG2 GLN 36 3.764 -4.458 -12.012 270 2HG GLN 36 HG1 GLN 36 4.552 -5.635 -13.065 271 1HE2 GLN 36 HE2 GLN 36 5.327 -7.561 -11.087 272 2HE2 GLN 36 HE2 GLN 36 3.920 -8.254 -10.437 273 H ARG 37 HN ARG 37 4.588 -1.657 -12.135 274 HA ARG 37 HA ARG 37 4.794 -0.317 -9.569 275 1HB ARG 37 HB2 ARG 37 3.542 0.014 -12.197 276 2HB ARG 37 HB1 ARG 37 2.524 0.607 -10.885 277 1HG ARG 37 HG2 ARG 37 3.879 2.372 -10.504 278 2HG ARG 37 HG1 ARG 37 5.322 1.359 -10.526 279 1HD ARG 37 HD2 ARG 37 5.580 2.837 -12.390 280 2HD ARG 37 HD1 ARG 37 5.014 1.313 -13.104 281 HE ARG 37 HE ARG 37 2.707 2.769 -12.382 282 1HH1 ARG 37 HH2 ARG 37 4.962 2.319 -14.876 283 2HH1 ARG 37 HH2 ARG 37 4.335 3.578 -15.886 284 1HH2 ARG 37 HH1 ARG 37 2.085 4.728 -13.509 285 2HH2 ARG 37 HH1 ARG 37 2.705 4.942 -15.113 286 H ALA 38 HN ALA 38 3.239 -0.292 -7.890 287 HA ALA 38 HA ALA 38 0.716 -1.747 -8.091 288 1HB ALA 38 HB1 ALA 38 1.345 -3.731 -7.129 289 2HB ALA 38 HB2 ALA 38 2.533 -2.958 -6.082 290 3HB ALA 38 HB3 ALA 38 2.930 -3.294 -7.768 291 H VAL 39 HN VAL 39 -0.111 -2.043 -5.647 292 HA VAL 39 HA VAL 39 0.614 0.464 -4.161 293 HB VAL 39 HB VAL 39 -2.018 -1.009 -4.510 294 1HG1 VAL 39 HG1 VAL 39 -1.814 -0.053 -2.244 295 2HG1 VAL 39 HG1 VAL 39 -2.994 0.844 -3.200 296 3HG1 VAL 39 HG1 VAL 39 -1.381 1.509 -2.940 297 1HG2 VAL 39 HG2 VAL 39 -2.431 0.437 -6.195 298 2HG2 VAL 39 HG2 VAL 39 -0.725 0.883 -6.124 299 3HG2 VAL 39 HG2 VAL 39 -1.919 1.813 -5.217 300 H ILE 40 HN ILE 40 0.541 0.264 -1.797 301 HA ILE 40 HA ILE 40 0.580 -2.569 -0.833 302 HB ILE 40 HB ILE 40 2.424 -0.243 -0.215 303 1HG1 ILE 40 HG1 ILE 40 3.245 -2.937 -1.244 304 2HG1 ILE 40 HG1 ILE 40 2.577 -1.757 -2.372 305 1HG2 ILE 40 HG2 ILE 40 1.689 -2.215 1.564 306 2HG2 ILE 40 HG2 ILE 40 3.223 -1.348 1.597 307 3HG2 ILE 40 HG2 ILE 40 3.113 -2.916 0.798 308 1HD1 ILE 40 HD1 ILE 40 4.270 -0.099 -1.535 309 2HD1 ILE 40 HD1 ILE 40 4.986 -1.493 -2.346 310 3HD1 ILE 40 HD1 ILE 40 4.998 -1.395 -0.585 311 H PHE 41 HN PHE 41 -0.578 -2.923 1.023 312 HA PHE 41 HA PHE 41 -1.838 -0.560 2.364 313 1HB PHE 41 HB2 PHE 41 -2.560 -3.491 2.065 314 2HB PHE 41 HB1 PHE 41 -3.424 -2.409 3.156 315 HD1 PHE 41 HD1 PHE 41 -3.989 -3.920 0.258 316 HD2 PHE 41 HD2 PHE 41 -3.531 0.108 1.680 317 HE1 PHE 41 HE1 PHE 41 -5.353 -3.095 -1.642 318 HE2 PHE 41 HE2 PHE 41 -4.896 0.933 -0.221 319 HZ PHE 41 HZ PHE 41 -5.807 -0.669 -1.881 320 H THR 42 HN THR 42 -0.954 -0.091 4.361 321 HA THR 42 HA THR 42 0.767 -2.102 5.648 322 HB THR 42 HB THR 42 0.468 0.449 6.996 323 HG1 THR 42 HG1 THR 42 0.802 1.797 5.385 324 1HG2 THR 42 HG2 THR 42 2.891 0.528 6.577 325 2HG2 THR 42 HG2 THR 42 2.731 -0.830 5.465 326 3HG2 THR 42 HG2 THR 42 2.403 -1.056 7.182 327 H THR 43 HN THR 43 0.412 -2.895 7.747 328 HA THR 43 HA THR 43 -2.379 -2.568 8.764 329 HB THR 43 HB THR 43 -1.534 -4.785 9.964 330 HG1 THR 43 HG1 THR 43 0.254 -5.540 9.185 331 1HG2 THR 43 HG2 THR 43 -3.125 -4.232 7.810 332 2HG2 THR 43 HG2 THR 43 -2.849 -5.851 8.454 333 3HG2 THR 43 HG2 THR 43 -1.904 -5.274 7.081 334 H LYS 44 HN LYS 44 -2.352 -3.202 11.277 335 HA LYS 44 HA LYS 44 -0.771 -1.124 12.611 336 1HB LYS 44 HB2 LYS 44 -2.724 -3.218 13.616 337 2HB LYS 44 HB1 LYS 44 -2.142 -1.838 14.547 338 1HG LYS 44 HG2 LYS 44 -3.036 -0.719 12.149 339 2HG LYS 44 HG1 LYS 44 -4.245 -1.944 12.536 340 1HD LYS 44 HD2 LYS 44 -4.194 -0.966 14.927 341 2HD LYS 44 HD1 LYS 44 -3.369 0.415 14.202 342 1HE LYS 44 HE2 LYS 44 -5.578 -0.142 12.514 343 2HE LYS 44 HE1 LYS 44 -6.190 -0.189 14.180 344 1HZ LYS 44 HZ1 LYS 44 -5.368 1.923 14.633 345 2HZ LYS 44 HZ2 LYS 44 -5.985 2.089 13.058 346 3HZ LYS 44 HZ3 LYS 44 -4.313 1.916 13.306 347 H ARG 45 HN ARG 45 0.055 -4.175 11.637 348 HA ARG 45 HA ARG 45 1.461 -4.953 14.136 349 1HB ARG 45 HB2 ARG 45 0.251 -6.237 11.878 350 2HB ARG 45 HB1 ARG 45 1.952 -6.696 11.929 351 1HG ARG 45 HG2 ARG 45 0.648 -6.698 14.565 352 2HG ARG 45 HG1 ARG 45 -0.029 -7.870 13.434 353 1HD ARG 45 HD2 ARG 45 2.454 -8.494 12.934 354 2HD ARG 45 HD1 ARG 45 2.795 -7.680 14.475 355 HE ARG 45 HE ARG 45 0.564 -9.598 14.553 356 1HH1 ARG 45 HH2 ARG 45 3.851 -9.966 14.128 357 2HH1 ARG 45 HH2 ARG 45 4.132 -10.848 15.591 358 1HH2 ARG 45 HH1 ARG 45 0.943 -10.310 16.841 359 2HH2 ARG 45 HH1 ARG 45 2.487 -11.043 17.127 360 H GLY 46 HN GLY 46 2.100 -3.103 11.365 361 1HA GLY 46 HA2 GLY 46 4.194 -2.019 10.940 362 2HA GLY 46 HA1 GLY 46 5.003 -3.254 11.904 363 H LYS 47 HN LYS 47 2.772 -4.635 9.743 364 HA LYS 47 HA LYS 47 4.999 -5.374 7.905 365 1HB LYS 47 HB2 LYS 47 3.195 -6.863 9.427 366 2HB LYS 47 HB1 LYS 47 2.544 -6.952 7.790 367 1HG LYS 47 HG2 LYS 47 4.619 -7.816 6.927 368 2HG LYS 47 HG1 LYS 47 5.446 -7.506 8.454 369 1HD LYS 47 HD2 LYS 47 4.976 -9.715 8.826 370 2HD LYS 47 HD1 LYS 47 3.420 -9.063 9.343 371 1HE LYS 47 HE2 LYS 47 2.359 -10.110 7.636 372 2HE LYS 47 HE1 LYS 47 3.480 -9.407 6.453 373 1HZ LYS 47 HZ1 LYS 47 5.093 -11.070 6.950 374 2HZ LYS 47 HZ2 LYS 47 3.628 -11.872 6.639 375 3HZ LYS 47 HZ3 LYS 47 4.171 -11.678 8.237 376 H LYS 48 HN LYS 48 4.864 -4.431 5.902 377 HA LYS 48 HA LYS 48 2.322 -3.175 5.050 378 1HB LYS 48 HB2 LYS 48 4.975 -3.260 3.593 379 2HB LYS 48 HB1 LYS 48 3.707 -2.045 3.459 380 1HG LYS 48 HG2 LYS 48 4.239 -1.868 6.114 381 2HG LYS 48 HG1 LYS 48 5.828 -2.346 5.513 382 1HD LYS 48 HD2 LYS 48 4.378 -0.210 4.017 383 2HD LYS 48 HD1 LYS 48 5.074 0.219 5.580 384 1HE LYS 48 HE2 LYS 48 6.690 -1.237 3.473 385 2HE LYS 48 HE1 LYS 48 6.616 0.536 3.548 386 1HZ LYS 48 HZ1 LYS 48 8.425 -0.161 4.912 387 2HZ LYS 48 HZ2 LYS 48 7.469 -1.321 5.705 388 3HZ LYS 48 HZ3 LYS 48 7.178 0.334 5.950 389 H VAL 49 HN VAL 49 0.953 -4.158 3.603 390 HA VAL 49 HA VAL 49 1.895 -6.646 2.239 391 HB VAL 49 HB VAL 49 -0.873 -5.502 2.739 392 1HG1 VAL 49 HG1 VAL 49 0.168 -7.900 1.323 393 2HG1 VAL 49 HG1 VAL 49 -1.320 -6.992 1.055 394 3HG1 VAL 49 HG1 VAL 49 -1.224 -8.157 2.375 395 1HG2 VAL 49 HG2 VAL 49 0.568 -6.215 4.752 396 2HG2 VAL 49 HG2 VAL 49 0.435 -7.855 4.118 397 3HG2 VAL 49 HG2 VAL 49 -1.016 -6.976 4.602 398 H CYS 50 HN CYS 50 1.773 -6.813 -0.032 399 HA CYS 50 HA CYS 50 1.527 -4.262 -1.509 400 1HB CYS 50 HB2 CYS 50 2.439 -7.081 -2.112 401 2HB CYS 50 HB1 CYS 50 2.294 -5.866 -3.380 402 H THR 51 HN THR 51 0.273 -4.291 -3.598 403 HA THR 51 HA THR 51 -1.921 -6.232 -3.872 404 HB THR 51 HB THR 51 -3.528 -4.138 -3.693 405 HG1 THR 51 HG1 THR 51 -2.695 -2.715 -2.069 406 1HG2 THR 51 HG2 THR 51 -2.939 -6.250 -2.061 407 2HG2 THR 51 HG2 THR 51 -4.198 -5.060 -1.728 408 3HG2 THR 51 HG2 THR 51 -2.604 -4.887 -0.993 409 H HIS 52 HN HIS 52 -3.563 -4.968 -5.594 410 HA HIS 52 HA HIS 52 -1.755 -3.972 -7.758 411 1HB HIS 52 HB2 HIS 52 -3.090 -6.272 -7.758 412 2HB HIS 52 HB1 HIS 52 -4.428 -5.237 -8.254 413 HD1 HIS 52 HD1 HIS 52 -0.753 -4.993 -9.239 414 HD2 HIS 52 HD2 HIS 52 -4.481 -5.603 -11.004 415 HE1 HIS 52 HE1 HIS 52 -0.365 -5.026 -11.742 416 HA PRO 53 HA PRO 53 -4.303 -0.348 -7.612 417 1HB PRO 53 HB2 PRO 53 -3.484 0.821 -9.942 418 2HB PRO 53 HB1 PRO 53 -2.485 0.793 -8.477 419 1HG PRO 53 HG2 PRO 53 -2.277 -0.838 -10.938 420 2HG PRO 53 HG1 PRO 53 -1.007 -0.261 -9.853 421 1HD PRO 53 HD2 PRO 53 -2.031 -2.840 -9.900 422 2HD PRO 53 HD1 PRO 53 -1.124 -2.117 -8.555 423 H ARG 54 HN ARG 54 -4.340 -2.592 -10.303 424 HA ARG 54 HA ARG 54 -6.507 -1.411 -11.793 425 1HB ARG 54 HB2 ARG 54 -4.701 -3.492 -12.052 426 2HB ARG 54 HB1 ARG 54 -6.238 -4.337 -11.863 427 1HG ARG 54 HG2 ARG 54 -6.991 -2.397 -13.597 428 2HG ARG 54 HG1 ARG 54 -5.302 -2.584 -14.070 429 1HD ARG 54 HD2 ARG 54 -7.053 -5.018 -13.706 430 2HD ARG 54 HD1 ARG 54 -7.055 -4.118 -15.236 431 HE ARG 54 HE ARG 54 -4.584 -5.290 -14.011 432 1HH1 ARG 54 HH1 ARG 54 -6.406 -6.156 -16.491 433 2HH1 ARG 54 HH1 ARG 54 -5.300 -5.772 -17.767 434 1HH2 ARG 54 HH2 ARG 54 -3.166 -3.948 -15.734 435 2HH2 ARG 54 HH2 ARG 54 -3.467 -4.524 -17.339 436 H LYS 55 HN LYS 55 -6.419 -3.996 -9.314 437 HA LYS 55 HA LYS 55 -9.139 -4.721 -9.300 438 1HB LYS 55 HB2 LYS 55 -6.788 -4.963 -7.664 439 2HB LYS 55 HB1 LYS 55 -8.172 -4.624 -6.623 440 1HG LYS 55 HG2 LYS 55 -8.040 -7.019 -6.894 441 2HG LYS 55 HG1 LYS 55 -9.420 -6.454 -7.837 442 1HD LYS 55 HD2 LYS 55 -8.295 -7.907 -9.318 443 2HD LYS 55 HD1 LYS 55 -7.748 -6.305 -9.811 444 1HE LYS 55 HE2 LYS 55 -5.600 -6.813 -9.298 445 2HE LYS 55 HE1 LYS 55 -6.068 -7.384 -7.683 446 1HZ LYS 55 HZ1 LYS 55 -6.983 -9.400 -8.829 447 2HZ LYS 55 HZ2 LYS 55 -5.290 -9.271 -8.855 448 3HZ LYS 55 HZ3 LYS 55 -6.195 -8.883 -10.240 449 H LYS 56 HN LYS 56 -10.866 -3.341 -9.133 450 HA LYS 56 HA LYS 56 -10.850 -0.667 -8.272 451 1HB LYS 56 HB2 LYS 56 -13.309 -1.029 -8.065 452 2HB LYS 56 HB1 LYS 56 -12.652 -1.753 -9.533 453 1HG LYS 56 HG2 LYS 56 -12.363 -3.846 -7.858 454 2HG LYS 56 HG1 LYS 56 -13.752 -3.067 -7.101 455 1HD LYS 56 HD2 LYS 56 -14.739 -2.952 -9.491 456 2HD LYS 56 HD1 LYS 56 -13.506 -4.141 -9.908 457 1HE LYS 56 HE2 LYS 56 -14.368 -5.706 -8.257 458 2HE LYS 56 HE1 LYS 56 -15.513 -4.491 -7.653 459 1HZ LYS 56 HZ1 LYS 56 -16.560 -4.393 -9.790 460 2HZ LYS 56 HZ2 LYS 56 -16.506 -6.022 -9.307 461 3HZ LYS 56 HZ3 LYS 56 -15.409 -5.438 -10.466 462 H TRP 57 HN TRP 57 -11.135 -3.627 -6.343 463 HA TRP 57 HA TRP 57 -12.039 -2.389 -3.919 464 1HB TRP 57 HB2 TRP 57 -11.935 -4.555 -3.176 465 2HB TRP 57 HB1 TRP 57 -11.630 -4.925 -4.867 466 HD1 TRP 57 HD1 TRP 57 -9.441 -6.141 -5.390 467 HE1 TRP 57 HE1 TRP 57 -7.287 -6.680 -4.079 468 HE3 TRP 57 HE3 TRP 57 -10.314 -3.477 -1.125 469 HZ2 TRP 57 HZ2 TRP 57 -6.094 -6.056 -1.556 470 HZ3 TRP 57 HZ3 TRP 57 -8.654 -3.469 0.716 471 HH2 TRP 57 HH2 TRP 57 -6.547 -4.756 0.505 472 H VAL 58 HN VAL 58 -8.795 -2.902 -5.279 473 HA VAL 58 HA VAL 58 -7.310 -2.050 -2.960 474 HB VAL 58 HB VAL 58 -6.660 -1.964 -5.924 475 1HG1 VAL 58 HG1 VAL 58 -4.582 -1.288 -5.358 476 2HG1 VAL 58 HG1 VAL 58 -4.477 -2.482 -4.064 477 3HG1 VAL 58 HG1 VAL 58 -5.234 -0.919 -3.762 478 1HG2 VAL 58 HG2 VAL 58 -5.864 -4.189 -5.694 479 2HG2 VAL 58 HG2 VAL 58 -7.399 -4.188 -4.828 480 3HG2 VAL 58 HG2 VAL 58 -5.882 -4.100 -3.933 481 H GLN 59 HN GLN 59 -8.322 -0.325 -5.934 482 HA GLN 59 HA GLN 59 -7.259 2.230 -5.217 483 1HB GLN 59 HB2 GLN 59 -9.604 1.337 -6.929 484 2HB GLN 59 HB1 GLN 59 -8.986 2.990 -6.910 485 1HG GLN 59 HG2 GLN 59 -7.086 0.715 -7.390 486 2HG GLN 59 HG1 GLN 59 -8.097 1.293 -8.714 487 1HE2 GLN 59 HE2 GLN 59 -5.440 1.715 -9.133 488 2HE2 GLN 59 HE2 GLN 59 -5.014 3.336 -8.862 489 H LYS 60 HN LYS 60 -10.256 0.549 -4.454 490 HA LYS 60 HA LYS 60 -11.658 2.772 -3.285 491 1HB LYS 60 HB2 LYS 60 -11.944 -0.067 -3.713 492 2HB LYS 60 HB1 LYS 60 -12.401 0.322 -2.054 493 1HG LYS 60 HG2 LYS 60 -14.238 1.504 -2.701 494 2HG LYS 60 HG1 LYS 60 -13.416 2.201 -4.099 495 1HD LYS 60 HD2 LYS 60 -13.636 0.051 -5.299 496 2HD LYS 60 HD1 LYS 60 -14.476 -0.635 -3.906 497 1HE LYS 60 HE2 LYS 60 -15.916 1.678 -4.351 498 2HE LYS 60 HE1 LYS 60 -15.508 1.158 -5.999 499 1HZ LYS 60 HZ1 LYS 60 -17.493 0.020 -5.256 500 2HZ LYS 60 HZ2 LYS 60 -16.693 -0.540 -3.865 501 3HZ LYS 60 HZ3 LYS 60 -16.222 -1.094 -5.401 502 H TYR 61 HN TYR 61 -9.283 0.444 -2.087 503 HA TYR 61 HA TYR 61 -9.611 1.232 0.711 504 1HB TYR 61 HB2 TYR 61 -8.213 -0.742 -0.913 505 2HB TYR 61 HB1 TYR 61 -7.178 -0.096 0.361 506 HD1 TYR 61 HD1 TYR 61 -7.276 -1.119 2.448 507 HD2 TYR 61 HD2 TYR 61 -10.730 -1.228 -0.102 508 HE1 TYR 61 HE1 TYR 61 -8.471 -2.501 4.124 509 HE2 TYR 61 HE2 TYR 61 -11.924 -2.610 1.572 510 HH TYR 61 HH TYR 61 -11.552 -3.987 3.419 511 H ILE 62 HN ILE 62 -7.307 1.938 -1.908 512 HA ILE 62 HA ILE 62 -5.375 3.370 -0.410 513 HB ILE 62 HB ILE 62 -6.459 3.821 -3.215 514 1HG1 ILE 62 HG1 ILE 62 -3.951 2.342 -2.417 515 2HG1 ILE 62 HG1 ILE 62 -5.507 1.518 -2.502 516 1HG2 ILE 62 HG2 ILE 62 -4.638 5.377 -1.719 517 2HG2 ILE 62 HG2 ILE 62 -4.940 5.468 -3.454 518 3HG2 ILE 62 HG2 ILE 62 -3.657 4.427 -2.835 519 1HD1 ILE 62 HD1 ILE 62 -3.742 2.288 -4.662 520 2HD1 ILE 62 HD1 ILE 62 -5.328 3.032 -4.872 521 3HD1 ILE 62 HD1 ILE 62 -5.188 1.281 -4.718 522 H SER 63 HN SER 63 -8.378 4.558 -1.963 523 HA SER 63 HA SER 63 -8.058 7.279 -1.003 524 1HB SER 63 HB2 SER 63 -10.642 7.144 -1.605 525 2HB SER 63 HB1 SER 63 -9.427 7.076 -2.878 526 HG SER 63 HG SER 63 -10.538 5.301 -3.297 527 H LEU 64 HN LEU 64 -9.701 4.375 0.197 528 HA LEU 64 HA LEU 64 -11.107 5.707 2.355 529 1HB LEU 64 HB2 LEU 64 -10.424 2.911 1.504 530 2HB LEU 64 HB1 LEU 64 -11.044 3.166 3.136 531 HG LEU 64 HG LEU 64 -12.407 4.223 0.646 532 1HD1 LEU 64 HD1 LEU 64 -13.530 2.264 0.406 533 2HD1 LEU 64 HD1 LEU 64 -13.684 2.034 2.147 534 3HD1 LEU 64 HD1 LEU 64 -12.197 1.562 1.324 535 1HD2 LEU 64 HD2 LEU 64 -13.941 5.128 2.062 536 2HD2 LEU 64 HD2 LEU 64 -12.675 4.971 3.281 537 3HD2 LEU 64 HD2 LEU 64 -13.915 3.725 3.131 538 H LEU 65 HN LEU 65 -7.947 4.130 2.023 539 HA LEU 65 HA LEU 65 -7.323 4.320 4.878 540 1HB LEU 65 HB2 LEU 65 -6.165 3.240 2.396 541 2HB LEU 65 HB1 LEU 65 -4.958 3.901 3.491 542 HG LEU 65 HG LEU 65 -7.041 1.805 4.181 543 1HD1 LEU 65 HD1 LEU 65 -5.248 0.807 2.926 544 2HD1 LEU 65 HD1 LEU 65 -4.928 0.450 4.623 545 3HD1 LEU 65 HD1 LEU 65 -4.035 1.733 3.808 546 1HD2 LEU 65 HD2 LEU 65 -5.349 1.821 6.276 547 2HD2 LEU 65 HD2 LEU 65 -6.799 2.825 6.229 548 3HD2 LEU 65 HD2 LEU 65 -5.231 3.518 5.813 549 H LYS 66 HN LYS 66 -8.041 6.861 4.212 550 HA LYS 66 HA LYS 66 -7.277 9.094 4.264 551 1HB LYS 66 HB2 LYS 66 -5.739 7.588 5.933 552 2HB LYS 66 HB1 LYS 66 -4.502 8.224 4.847 553 1HG LYS 66 HG2 LYS 66 -5.221 10.507 5.285 554 2HG LYS 66 HG1 LYS 66 -6.572 9.928 6.263 555 1HD LYS 66 HD2 LYS 66 -4.887 10.519 7.835 556 2HD LYS 66 HD1 LYS 66 -4.805 8.760 7.716 557 1HE LYS 66 HE2 LYS 66 -2.666 8.864 6.980 558 2HE LYS 66 HE1 LYS 66 -3.125 9.993 5.690 559 1HZ LYS 66 HZ1 LYS 66 -2.947 10.853 8.514 560 2HZ LYS 66 HZ2 LYS 66 -2.946 11.817 7.114 561 3HZ LYS 66 HZ3 LYS 66 -1.586 10.875 7.501 562 H THR 67 HN THR 67 -5.604 10.581 3.200 563 HA THR 67 HA THR 67 -4.340 9.364 0.797 564 HB THR 67 HB THR 67 -5.961 11.896 0.637 565 HG1 THR 67 HG1 THR 67 -7.420 10.447 1.425 566 1HG2 THR 67 HG2 THR 67 -4.454 11.215 -1.228 567 2HG2 THR 67 HG2 THR 67 -6.152 11.245 -1.706 568 3HG2 THR 67 HG2 THR 67 -5.357 9.707 -1.370 569 HA PRO 68 HA PRO 68 -1.190 12.191 2.186 570 1HB PRO 68 HB2 PRO 68 0.541 11.887 0.091 571 2HB PRO 68 HB1 PRO 68 0.356 10.673 1.372 572 1HG PRO 68 HG2 PRO 68 -0.744 10.696 -1.387 573 2HG PRO 68 HG1 PRO 68 -0.143 9.341 -0.421 574 1HD PRO 68 HD2 PRO 68 -2.801 9.906 -0.800 575 2HD PRO 68 HD1 PRO 68 -2.159 9.005 0.590 576 H LYS 69 HN LYS 69 -1.085 14.402 1.913 577 HA LYS 69 HA LYS 69 -1.216 15.625 -0.754 578 1HB LYS 69 HB2 LYS 69 -3.521 15.341 1.063 579 2HB LYS 69 HB1 LYS 69 -3.262 16.989 0.488 580 1HG LYS 69 HG2 LYS 69 -2.964 14.981 -1.629 581 2HG LYS 69 HG1 LYS 69 -4.576 14.997 -0.915 582 1HD LYS 69 HD2 LYS 69 -4.403 17.587 -1.168 583 2HD LYS 69 HD1 LYS 69 -3.116 17.223 -2.318 584 1HE LYS 69 HE2 LYS 69 -5.898 16.013 -2.479 585 2HE LYS 69 HE1 LYS 69 -5.377 17.433 -3.408 586 1HZ LYS 69 HZ1 LYS 69 -4.042 14.776 -3.409 587 2HZ LYS 69 HZ2 LYS 69 -3.522 16.143 -4.273 588 3HZ LYS 69 HZ3 LYS 69 -4.997 15.398 -4.666 589 H GLN 70 HN GLN 70 -0.172 17.617 -0.698 590 HA GLN 70 HA GLN 70 0.991 18.470 1.875 591 1HB GLN 70 HB2 GLN 70 1.358 18.956 -1.043 592 2HB GLN 70 HB1 GLN 70 1.880 20.242 0.047 593 1HG GLN 70 HG2 GLN 70 2.910 18.086 1.333 594 2HG GLN 70 HG1 GLN 70 2.995 17.521 -0.336 595 1HE2 GLN 70 HE2 GLN 70 5.458 17.846 0.556 596 2HE2 GLN 70 HE2 GLN 70 6.152 19.329 0.112 597 H LEU 71 HN LEU 71 -1.380 19.643 -0.492 598 HA LEU 71 HA LEU 71 -2.538 21.453 1.505 599 1HB LEU 71 HB2 LEU 71 -2.041 23.487 0.185 600 2HB LEU 71 HB1 LEU 71 -0.553 22.681 0.682 601 HG LEU 71 HG LEU 71 -1.320 21.508 -1.780 602 1HD1 LEU 71 HD1 LEU 71 -2.590 23.883 -1.749 603 2HD1 LEU 71 HD1 LEU 71 -1.886 23.208 -3.218 604 3HD1 LEU 71 HD1 LEU 71 -1.003 24.423 -2.295 605 1HD2 LEU 71 HD2 LEU 71 0.952 21.612 -1.547 606 2HD2 LEU 71 HD2 LEU 71 0.887 23.123 -0.640 607 3HD2 LEU 71 HD2 LEU 71 0.767 23.145 -2.399 Start of MODEL 11 1 1H THR 1 HT1 THR 1 0.731 7.343 17.796 2 2H THR 1 HT2 THR 1 0.236 6.097 16.751 3 3H THR 1 HT3 THR 1 0.790 7.573 16.117 4 HA THR 1 HA THR 1 2.979 7.037 17.334 5 HB THR 1 HB THR 1 1.568 4.352 17.171 6 HG1 THR 1 HG1 THR 1 2.376 5.936 19.381 7 1HG2 THR 1 HG2 THR 1 4.254 5.005 18.398 8 2HG2 THR 1 HG2 THR 1 4.076 4.408 16.748 9 3HG2 THR 1 HG2 THR 1 3.558 3.411 18.107 10 H ARG 2 HN ARG 2 4.654 6.333 15.869 11 HA ARG 2 HA ARG 2 3.809 5.232 13.239 12 1HB ARG 2 HB2 ARG 2 3.905 7.918 13.619 13 2HB ARG 2 HB1 ARG 2 5.584 7.617 13.169 14 1HG ARG 2 HG2 ARG 2 4.886 7.634 11.022 15 2HG ARG 2 HG1 ARG 2 4.119 6.082 11.360 16 1HD ARG 2 HD2 ARG 2 2.144 7.097 10.873 17 2HD ARG 2 HD1 ARG 2 2.334 7.985 12.399 18 HE ARG 2 HE ARG 2 2.878 9.050 9.725 19 1HH1 ARG 2 HH2 ARG 2 1.922 10.176 12.564 20 2HH1 ARG 2 HH2 ARG 2 3.133 11.397 12.774 21 1HH2 ARG 2 HH1 ARG 2 5.150 10.207 10.214 22 2HH2 ARG 2 HH1 ARG 2 4.960 11.417 11.439 23 H GLY 3 HN GLY 3 6.251 5.676 11.917 24 1HA GLY 3 HA2 GLY 3 8.483 4.883 13.620 25 2HA GLY 3 HA1 GLY 3 7.875 3.562 12.621 26 H SER 4 HN SER 4 9.965 3.597 11.506 27 HA SER 4 HA SER 4 10.824 5.956 10.031 28 1HB SER 4 HB2 SER 4 12.604 4.548 9.392 29 2HB SER 4 HB1 SER 4 12.118 3.877 10.946 30 HG SER 4 HG SER 4 12.184 2.676 8.594 31 H ASP 5 HN ASP 5 11.432 4.742 7.516 32 HA ASP 5 HA ASP 5 8.739 4.155 6.375 33 1HB ASP 5 HB2 ASP 5 10.481 6.474 6.038 34 2HB ASP 5 HB1 ASP 5 10.087 5.716 4.494 35 H ILE 6 HN ILE 6 8.920 2.210 5.344 36 HA ILE 6 HA ILE 6 11.514 1.568 3.972 37 HB ILE 6 HB ILE 6 9.471 -0.261 5.279 38 1HG1 ILE 6 HG1 ILE 6 12.205 -0.101 6.365 39 2HG1 ILE 6 HG1 ILE 6 11.280 1.391 6.541 40 1HG2 ILE 6 HG2 ILE 6 11.893 -0.690 3.621 41 2HG2 ILE 6 HG2 ILE 6 10.484 -1.726 3.843 42 3HG2 ILE 6 HG2 ILE 6 11.761 -1.700 5.060 43 1HD1 ILE 6 HD1 ILE 6 10.992 -0.195 8.467 44 2HD1 ILE 6 HD1 ILE 6 10.254 -1.345 7.351 45 3HD1 ILE 6 HD1 ILE 6 9.479 0.210 7.659 46 H SER 7 HN SER 7 9.662 2.989 2.497 47 HA SER 7 HA SER 7 8.056 1.013 0.968 48 1HB SER 7 HB2 SER 7 7.423 3.424 1.944 49 2HB SER 7 HB1 SER 7 8.084 3.942 0.396 50 HG SER 7 HG SER 7 6.523 2.877 -0.643 51 H LYS 8 HN LYS 8 11.126 1.520 0.814 52 HA LYS 8 HA LYS 8 11.382 2.447 -1.984 53 1HB LYS 8 HB2 LYS 8 13.800 2.317 -1.444 54 2HB LYS 8 HB1 LYS 8 12.921 3.244 -0.227 55 1HG LYS 8 HG2 LYS 8 13.673 1.836 1.355 56 2HG LYS 8 HG1 LYS 8 12.810 0.516 0.565 57 1HD LYS 8 HD2 LYS 8 14.756 0.187 -0.951 58 2HD LYS 8 HD1 LYS 8 15.624 1.447 -0.075 59 1HE LYS 8 HE2 LYS 8 16.186 0.005 1.582 60 2HE LYS 8 HE1 LYS 8 14.509 -0.555 1.741 61 1HZ LYS 8 HZ1 LYS 8 16.156 -2.247 0.879 62 2HZ LYS 8 HZ2 LYS 8 16.231 -1.322 -0.545 63 3HZ LYS 8 HZ3 LYS 8 14.761 -2.022 -0.060 64 H THR 9 HN THR 9 10.016 -0.100 -1.423 65 HA THR 9 HA THR 9 11.895 -1.949 -2.847 66 HB THR 9 HB THR 9 11.556 -2.412 -0.404 67 HG1 THR 9 HG1 THR 9 10.433 -4.298 -2.198 68 1HG2 THR 9 HG2 THR 9 8.739 -3.215 -1.103 69 2HG2 THR 9 HG2 THR 9 9.101 -1.579 -0.554 70 3HG2 THR 9 HG2 THR 9 9.451 -2.955 0.490 71 H CYS 10 HN CYS 10 10.836 -3.423 -4.335 72 HA CYS 10 HA CYS 10 8.374 -2.331 -5.521 73 1HB CYS 10 HB2 CYS 10 10.156 -4.686 -6.225 74 2HB CYS 10 HB1 CYS 10 8.918 -3.992 -7.268 75 H CYS 11 HN CYS 11 6.810 -4.240 -6.325 76 HA CYS 11 HA CYS 11 6.112 -5.827 -3.882 77 1HB CYS 11 HB2 CYS 11 4.611 -4.436 -6.071 78 2HB CYS 11 HB1 CYS 11 3.856 -5.828 -5.295 79 H PHE 12 HN PHE 12 5.051 -7.968 -4.379 80 HA PHE 12 HA PHE 12 5.839 -9.175 -6.975 81 1HB PHE 12 HB2 PHE 12 6.861 -9.814 -4.224 82 2HB PHE 12 HB1 PHE 12 6.724 -11.114 -5.409 83 HD1 PHE 12 HD1 PHE 12 9.008 -8.933 -4.084 84 HD2 PHE 12 HD2 PHE 12 7.497 -10.154 -7.915 85 HE1 PHE 12 HE1 PHE 12 11.117 -8.185 -5.154 86 HE2 PHE 12 HE2 PHE 12 9.605 -9.406 -8.985 87 HZ PHE 12 HZ PHE 12 11.416 -8.421 -7.605 88 H GLN 13 HN GLN 13 4.783 -10.502 -3.829 89 HA GLN 13 HA GLN 13 2.658 -12.039 -5.151 90 1HB GLN 13 HB2 GLN 13 4.275 -12.198 -2.840 91 2HB GLN 13 HB1 GLN 13 2.619 -12.029 -2.255 92 1HG GLN 13 HG2 GLN 13 2.308 -14.214 -2.701 93 2HG GLN 13 HG1 GLN 13 2.475 -13.831 -4.415 94 1HE2 GLN 13 HE2 GLN 13 4.053 -15.316 -1.676 95 2HE2 GLN 13 HE2 GLN 13 5.472 -15.772 -2.488 96 H TYR 14 HN TYR 14 0.764 -10.969 -5.622 97 HA TYR 14 HA TYR 14 -0.081 -8.654 -3.995 98 1HB TYR 14 HB2 TYR 14 -1.127 -9.985 -6.512 99 2HB TYR 14 HB1 TYR 14 -1.797 -8.505 -5.824 100 HD1 TYR 14 HD1 TYR 14 0.360 -6.876 -5.015 101 HD2 TYR 14 HD2 TYR 14 0.195 -9.543 -8.379 102 HE1 TYR 14 HE1 TYR 14 2.117 -5.548 -6.155 103 HE2 TYR 14 HE2 TYR 14 1.951 -8.215 -9.518 104 HH TYR 14 HH TYR 14 2.821 -5.861 -9.432 105 H SER 15 HN SER 15 -1.878 -8.681 -2.641 106 HA SER 15 HA SER 15 -3.029 -11.328 -1.994 107 1HB SER 15 HB2 SER 15 -3.571 -8.663 -0.679 108 2HB SER 15 HB1 SER 15 -3.659 -10.266 0.042 109 HG SER 15 HG SER 15 -1.579 -10.216 0.372 110 H HIS 16 HN HIS 16 -5.480 -11.299 -1.524 111 HA HIS 16 HA HIS 16 -7.022 -9.395 -3.197 112 1HB HIS 16 HB2 HIS 16 -6.418 -12.246 -3.803 113 2HB HIS 16 HB1 HIS 16 -8.077 -11.720 -4.093 114 HD1 HIS 16 HD1 HIS 16 -6.168 -12.406 -6.460 115 HD2 HIS 16 HD2 HIS 16 -6.760 -8.560 -4.964 116 HE1 HIS 16 HE1 HIS 16 -5.536 -10.808 -8.321 117 H LYS 17 HN LYS 17 -7.262 -9.347 -0.535 118 HA LYS 17 HA LYS 17 -9.935 -10.515 -0.056 119 1HB LYS 17 HB2 LYS 17 -7.397 -11.494 1.025 120 2HB LYS 17 HB1 LYS 17 -8.554 -11.090 2.294 121 1HG LYS 17 HG2 LYS 17 -10.214 -12.558 1.366 122 2HG LYS 17 HG1 LYS 17 -9.265 -12.798 -0.102 123 1HD LYS 17 HD2 LYS 17 -8.234 -14.547 0.863 124 2HD LYS 17 HD1 LYS 17 -7.596 -13.469 2.106 125 1HE LYS 17 HE2 LYS 17 -8.895 -15.265 3.171 126 2HE LYS 17 HE1 LYS 17 -9.765 -13.730 3.361 127 1HZ LYS 17 HZ1 LYS 17 -11.211 -14.237 1.632 128 2HZ LYS 17 HZ2 LYS 17 -11.056 -15.726 2.436 129 3HZ LYS 17 HZ3 LYS 17 -10.201 -15.442 0.996 130 HA PRO 18 HA PRO 18 -10.384 -6.685 2.069 131 1HB PRO 18 HB2 PRO 18 -12.360 -7.312 3.856 132 2HB PRO 18 HB1 PRO 18 -12.661 -7.086 2.121 133 1HG PRO 18 HG2 PRO 18 -12.370 -9.604 3.680 134 2HG PRO 18 HG1 PRO 18 -13.473 -9.221 2.348 135 1HD PRO 18 HD2 PRO 18 -11.203 -10.698 2.037 136 2HD PRO 18 HD1 PRO 18 -11.914 -9.708 0.742 137 H LEU 19 HN LEU 19 -8.618 -6.197 3.354 138 HA LEU 19 HA LEU 19 -7.706 -7.808 5.574 139 1HB LEU 19 HB2 LEU 19 -6.436 -6.147 4.097 140 2HB LEU 19 HB1 LEU 19 -7.215 -4.865 5.023 141 HG LEU 19 HG LEU 19 -6.290 -5.983 7.116 142 1HD1 LEU 19 HD1 LEU 19 -4.146 -7.236 5.527 143 2HD1 LEU 19 HD1 LEU 19 -5.709 -8.042 5.389 144 3HD1 LEU 19 HD1 LEU 19 -4.965 -7.827 6.974 145 1HD2 LEU 19 HD2 LEU 19 -4.618 -4.465 6.990 146 2HD2 LEU 19 HD2 LEU 19 -5.155 -4.161 5.338 147 3HD2 LEU 19 HD2 LEU 19 -3.857 -5.314 5.645 148 HA PRO 20 HA PRO 20 -10.605 -6.416 8.611 149 1HB PRO 20 HB2 PRO 20 -9.106 -6.838 10.874 150 2HB PRO 20 HB1 PRO 20 -9.896 -8.147 9.971 151 1HG PRO 20 HG2 PRO 20 -7.057 -7.226 9.865 152 2HG PRO 20 HG1 PRO 20 -7.704 -8.875 9.904 153 1HD PRO 20 HD2 PRO 20 -6.863 -7.749 7.618 154 2HD PRO 20 HD1 PRO 20 -8.249 -8.861 7.655 155 H TRP 21 HN TRP 21 -10.893 -4.217 8.541 156 HA TRP 21 HA TRP 21 -9.045 -2.144 8.534 157 1HB TRP 21 HB2 TRP 21 -11.800 -2.372 9.774 158 2HB TRP 21 HB1 TRP 21 -10.972 -0.832 9.530 159 HD1 TRP 21 HD1 TRP 21 -12.957 -3.452 7.738 160 HE1 TRP 21 HE1 TRP 21 -13.181 -2.829 5.246 161 HE3 TRP 21 HE3 TRP 21 -9.612 0.397 7.490 162 HZ2 TRP 21 HZ2 TRP 21 -12.080 -0.945 3.392 163 HZ3 TRP 21 HZ3 TRP 21 -9.218 1.586 5.352 164 HH2 TRP 21 HH2 TRP 21 -10.448 0.921 3.304 165 H THR 22 HN THR 22 -10.081 -4.065 11.287 166 HA THR 22 HA THR 22 -9.273 -2.399 13.434 167 HB THR 22 HB THR 22 -8.806 -4.794 14.434 168 HG1 THR 22 HG1 THR 22 -8.779 -6.213 12.898 169 1HG2 THR 22 HG2 THR 22 -11.331 -3.497 13.552 170 2HG2 THR 22 HG2 THR 22 -10.804 -3.943 15.175 171 3HG2 THR 22 HG2 THR 22 -11.448 -5.173 14.088 172 H TRP 23 HN TRP 23 -7.381 -4.553 11.338 173 HA TRP 23 HA TRP 23 -4.896 -3.776 12.782 174 1HB TRP 23 HB2 TRP 23 -5.464 -5.932 10.726 175 2HB TRP 23 HB1 TRP 23 -3.960 -5.738 11.623 176 HD1 TRP 23 HD1 TRP 23 -5.705 -4.949 14.370 177 HE1 TRP 23 HE1 TRP 23 -6.644 -6.931 15.726 178 HE3 TRP 23 HE3 TRP 23 -5.548 -8.596 10.808 179 HZ2 TRP 23 HZ2 TRP 23 -7.249 -9.702 15.346 180 HZ3 TRP 23 HZ3 TRP 23 -6.311 -10.899 11.328 181 HH2 TRP 23 HH2 TRP 23 -7.159 -11.455 13.590 182 H VAL 24 HN VAL 24 -6.664 -2.823 10.060 183 HA VAL 24 HA VAL 24 -4.352 -2.394 8.298 184 HB VAL 24 HB VAL 24 -7.181 -1.302 8.147 185 1HG1 VAL 24 HG1 VAL 24 -6.706 -0.783 5.921 186 2HG1 VAL 24 HG1 VAL 24 -5.401 -1.964 5.820 187 3HG1 VAL 24 HG1 VAL 24 -5.152 -0.447 6.685 188 1HG2 VAL 24 HG2 VAL 24 -6.726 -3.491 6.368 189 2HG2 VAL 24 HG2 VAL 24 -7.864 -3.411 7.712 190 3HG2 VAL 24 HG2 VAL 24 -6.227 -4.005 7.979 191 H ARG 25 HN ARG 25 -3.181 -0.468 8.139 192 HA ARG 25 HA ARG 25 -4.035 1.757 9.968 193 1HB ARG 25 HB2 ARG 25 -2.020 0.354 10.579 194 2HB ARG 25 HB1 ARG 25 -1.235 0.970 9.125 195 1HG ARG 25 HG2 ARG 25 -2.088 3.300 10.222 196 2HG ARG 25 HG1 ARG 25 -1.820 2.350 11.684 197 1HD ARG 25 HD2 ARG 25 0.265 2.449 9.495 198 2HD ARG 25 HD1 ARG 25 0.208 3.675 10.778 199 HE ARG 25 HE ARG 25 0.466 0.738 11.313 200 1HH1 ARG 25 HH2 ARG 25 -0.342 3.156 13.247 201 2HH1 ARG 25 HH2 ARG 25 1.123 3.248 14.166 202 1HH2 ARG 25 HH1 ARG 25 2.925 1.232 11.994 203 2HH2 ARG 25 HH1 ARG 25 2.973 2.157 13.458 204 H SER 26 HN SER 26 -2.132 1.110 6.977 205 HA SER 26 HA SER 26 -3.350 3.414 5.645 206 1HB SER 26 HB2 SER 26 -1.438 4.837 5.660 207 2HB SER 26 HB1 SER 26 -1.600 4.275 7.318 208 HG SER 26 HG SER 26 0.255 3.321 7.122 209 H TYR 27 HN TYR 27 -1.247 3.882 3.798 210 HA TYR 27 HA TYR 27 -0.564 1.226 2.661 211 1HB TYR 27 HB2 TYR 27 -1.853 1.578 0.682 212 2HB TYR 27 HB1 TYR 27 -2.917 2.039 2.007 213 HD1 TYR 27 HD1 TYR 27 -1.478 3.079 -1.072 214 HD2 TYR 27 HD2 TYR 27 -2.874 4.564 2.707 215 HE1 TYR 27 HE1 TYR 27 -1.702 5.344 -2.048 216 HE2 TYR 27 HE2 TYR 27 -3.099 6.831 1.733 217 HH TYR 27 HH TYR 27 -2.591 7.409 -1.719 218 H GLU 28 HN GLU 28 0.297 1.985 0.184 219 HA GLU 28 HA GLU 28 1.748 4.438 -0.020 220 1HB GLU 28 HB2 GLU 28 4.036 3.469 0.468 221 2HB GLU 28 HB1 GLU 28 3.004 3.607 1.889 222 1HG GLU 28 HG2 GLU 28 2.319 1.201 1.510 223 2HG GLU 28 HG1 GLU 28 3.574 1.111 0.273 224 H PHE 29 HN PHE 29 2.548 4.598 -2.121 225 HA PHE 29 HA PHE 29 2.128 2.264 -3.892 226 1HB PHE 29 HB2 PHE 29 1.631 4.940 -4.088 227 2HB PHE 29 HB1 PHE 29 3.174 4.835 -4.933 228 HD1 PHE 29 HD1 PHE 29 3.305 2.572 -6.488 229 HD2 PHE 29 HD2 PHE 29 -0.252 4.743 -5.439 230 HE1 PHE 29 HE1 PHE 29 2.152 1.649 -8.480 231 HE2 PHE 29 HE2 PHE 29 -1.403 3.820 -7.430 232 HZ PHE 29 HZ PHE 29 -0.201 2.273 -8.951 233 H THR 30 HN THR 30 3.813 1.299 -5.102 234 HA THR 30 HA THR 30 6.387 1.051 -3.993 235 HB THR 30 HB THR 30 6.882 0.370 -6.493 236 HG1 THR 30 HG1 THR 30 5.315 0.832 -7.782 237 1HG2 THR 30 HG2 THR 30 4.745 -0.932 -4.783 238 2HG2 THR 30 HG2 THR 30 6.479 -1.252 -4.726 239 3HG2 THR 30 HG2 THR 30 5.544 -1.713 -6.149 240 H SER 31 HN SER 31 8.472 1.868 -4.837 241 HA SER 31 HA SER 31 8.596 4.702 -5.092 242 1HB SER 31 HB2 SER 31 10.420 3.255 -4.295 243 2HB SER 31 HB1 SER 31 10.547 2.511 -5.886 244 HG SER 31 HG SER 31 12.072 4.224 -5.506 245 H ASN 32 HN ASN 32 9.750 5.741 -7.084 246 HA ASN 32 HA ASN 32 8.125 5.126 -9.470 247 1HB ASN 32 HB2 ASN 32 9.198 7.243 -10.275 248 2HB ASN 32 HB1 ASN 32 8.418 7.431 -8.705 249 1HD2 ASN 32 HD2 ASN 32 11.647 6.772 -10.162 250 2HD2 ASN 32 HD2 ASN 32 12.526 7.495 -8.902 251 H SER 33 HN SER 33 9.886 3.010 -8.977 252 HA SER 33 HA SER 33 11.389 2.906 -11.460 253 1HB SER 33 HB2 SER 33 13.585 3.107 -10.594 254 2HB SER 33 HB1 SER 33 12.698 4.384 -9.766 255 HG SER 33 HG SER 33 13.754 3.278 -8.192 256 H CYS 34 HN CYS 34 9.437 1.205 -10.413 257 HA CYS 34 HA CYS 34 10.999 -1.184 -9.487 258 1HB CYS 34 HB2 CYS 34 8.326 -0.008 -8.886 259 2HB CYS 34 HB1 CYS 34 8.427 -1.769 -8.907 260 H SER 35 HN SER 35 10.556 -3.196 -10.534 261 HA SER 35 HA SER 35 9.877 -3.053 -13.340 262 1HB SER 35 HB2 SER 35 9.970 -5.509 -11.574 263 2HB SER 35 HB1 SER 35 10.387 -5.388 -13.281 264 HG SER 35 HG SER 35 12.222 -4.321 -12.762 265 H GLN 36 HN GLN 36 8.087 -3.881 -10.414 266 HA GLN 36 HA GLN 36 5.640 -4.300 -12.103 267 1HB GLN 36 HB2 GLN 36 6.911 -5.822 -9.912 268 2HB GLN 36 HB1 GLN 36 5.167 -5.616 -9.742 269 1HG GLN 36 HG2 GLN 36 5.025 -6.361 -12.209 270 2HG GLN 36 HG1 GLN 36 6.685 -6.919 -12.002 271 1HE2 GLN 36 HE2 GLN 36 5.170 -9.021 -12.495 272 2HE2 GLN 36 HE2 GLN 36 4.691 -9.858 -11.098 273 H ARG 37 HN ARG 37 5.012 -2.053 -11.857 274 HA ARG 37 HA ARG 37 4.950 -0.604 -9.411 275 1HB ARG 37 HB2 ARG 37 3.287 0.780 -10.641 276 2HB ARG 37 HB1 ARG 37 4.671 0.365 -11.653 277 1HG ARG 37 HG2 ARG 37 3.281 -0.579 -13.146 278 2HG ARG 37 HG1 ARG 37 2.767 -1.737 -11.918 279 1HD ARG 37 HD2 ARG 37 0.899 -0.454 -11.303 280 2HD ARG 37 HD1 ARG 37 1.603 1.046 -11.939 281 HE ARG 37 HE ARG 37 1.176 0.222 -14.208 282 1HH1 ARG 37 HH1 ARG 37 0.607 -2.297 -12.012 283 2HH1 ARG 37 HH1 ARG 37 -0.807 -2.893 -12.816 284 1HH2 ARG 37 HH2 ARG 37 -0.943 -0.280 -15.090 285 2HH2 ARG 37 HH2 ARG 37 -1.684 -1.751 -14.557 286 H ALA 38 HN ALA 38 3.555 -0.691 -7.671 287 HA ALA 38 HA ALA 38 0.846 -1.747 -7.886 288 1HB ALA 38 HB1 ALA 38 1.758 -3.885 -7.880 289 2HB ALA 38 HB2 ALA 38 1.604 -3.609 -6.145 290 3HB ALA 38 HB3 ALA 38 3.163 -3.389 -6.938 291 H VAL 39 HN VAL 39 -0.356 -1.307 -5.972 292 HA VAL 39 HA VAL 39 0.908 0.626 -4.134 293 HB VAL 39 HB VAL 39 -1.908 -0.481 -4.401 294 1HG1 VAL 39 HG1 VAL 39 -0.652 1.587 -2.632 295 2HG1 VAL 39 HG1 VAL 39 -1.909 0.410 -2.255 296 3HG1 VAL 39 HG1 VAL 39 -2.300 1.845 -3.201 297 1HG2 VAL 39 HG2 VAL 39 -2.104 0.918 -6.156 298 2HG2 VAL 39 HG2 VAL 39 -0.404 1.356 -5.995 299 3HG2 VAL 39 HG2 VAL 39 -1.637 2.273 -5.130 300 H ILE 40 HN ILE 40 0.544 0.339 -1.737 301 HA ILE 40 HA ILE 40 0.416 -2.533 -0.917 302 HB ILE 40 HB ILE 40 2.503 -0.421 -0.333 303 1HG1 ILE 40 HG1 ILE 40 3.405 -3.100 -0.985 304 2HG1 ILE 40 HG1 ILE 40 2.312 -2.485 -2.226 305 1HG2 ILE 40 HG2 ILE 40 3.251 -2.819 0.923 306 2HG2 ILE 40 HG2 ILE 40 1.566 -2.564 1.378 307 3HG2 ILE 40 HG2 ILE 40 2.767 -1.318 1.714 308 1HD1 ILE 40 HD1 ILE 40 3.936 -1.146 -3.018 309 2HD1 ILE 40 HD1 ILE 40 5.046 -1.805 -1.816 310 3HD1 ILE 40 HD1 ILE 40 4.089 -0.373 -1.440 311 H PHE 41 HN PHE 41 -0.722 -2.845 0.970 312 HA PHE 41 HA PHE 41 -1.723 -0.424 2.427 313 1HB PHE 41 HB2 PHE 41 -2.825 -3.255 2.214 314 2HB PHE 41 HB1 PHE 41 -3.622 -1.895 3.004 315 HD1 PHE 41 HD1 PHE 41 -3.826 -3.790 0.181 316 HD2 PHE 41 HD2 PHE 41 -3.431 0.333 1.302 317 HE1 PHE 41 HE1 PHE 41 -4.820 -3.105 -1.986 318 HE2 PHE 41 HE2 PHE 41 -4.421 1.022 -0.864 319 HZ PHE 41 HZ PHE 41 -5.119 -0.697 -2.507 320 H THR 42 HN THR 42 -0.783 -0.213 4.463 321 HA THR 42 HA THR 42 0.578 -2.603 5.577 322 HB THR 42 HB THR 42 1.864 -0.534 5.269 323 HG1 THR 42 HG1 THR 42 2.837 -0.865 7.099 324 1HG2 THR 42 HG2 THR 42 0.171 1.144 5.418 325 2HG2 THR 42 HG2 THR 42 1.254 1.414 6.782 326 3HG2 THR 42 HG2 THR 42 -0.296 0.617 7.033 327 H THR 43 HN THR 43 0.317 -3.147 7.826 328 HA THR 43 HA THR 43 -2.443 -2.614 8.798 329 HB THR 43 HB THR 43 -1.611 -4.597 10.340 330 HG1 THR 43 HG1 THR 43 0.471 -4.772 9.871 331 1HG2 THR 43 HG2 THR 43 -2.745 -4.428 7.678 332 2HG2 THR 43 HG2 THR 43 -3.134 -5.547 8.984 333 3HG2 THR 43 HG2 THR 43 -1.817 -5.914 7.870 334 H LYS 44 HN LYS 44 -2.145 -3.140 11.488 335 HA LYS 44 HA LYS 44 -0.900 -0.660 12.459 336 1HB LYS 44 HB2 LYS 44 -3.033 -2.434 13.145 337 2HB LYS 44 HB1 LYS 44 -1.947 -2.325 14.532 338 1HG LYS 44 HG2 LYS 44 -2.550 -0.188 14.960 339 2HG LYS 44 HG1 LYS 44 -2.407 0.271 13.263 340 1HD LYS 44 HD2 LYS 44 -4.611 -0.520 12.766 341 2HD LYS 44 HD1 LYS 44 -4.745 -1.325 14.330 342 1HE LYS 44 HE2 LYS 44 -4.130 1.510 14.652 343 2HE LYS 44 HE1 LYS 44 -5.638 1.259 13.749 344 1HZ LYS 44 HZ1 LYS 44 -6.501 -0.102 15.426 345 2HZ LYS 44 HZ2 LYS 44 -5.799 1.194 16.272 346 3HZ LYS 44 HZ3 LYS 44 -4.994 -0.300 16.180 347 H ARG 45 HN ARG 45 -0.027 -3.996 12.218 348 HA ARG 45 HA ARG 45 1.790 -4.002 14.523 349 1HB ARG 45 HB2 ARG 45 0.464 -5.938 13.432 350 2HB ARG 45 HB1 ARG 45 1.731 -5.936 12.204 351 1HG ARG 45 HG2 ARG 45 3.370 -6.635 13.697 352 2HG ARG 45 HG1 ARG 45 2.526 -5.968 15.094 353 1HD ARG 45 HD2 ARG 45 0.848 -7.968 13.888 354 2HD ARG 45 HD1 ARG 45 2.458 -8.658 14.174 355 HE ARG 45 HE ARG 45 2.112 -7.396 16.511 356 1HH1 ARG 45 HH1 ARG 45 0.880 -10.198 15.324 357 2HH1 ARG 45 HH1 ARG 45 -0.514 -10.270 16.350 358 1HH2 ARG 45 HH2 ARG 45 -0.125 -7.039 17.549 359 2HH2 ARG 45 HH2 ARG 45 -1.080 -8.483 17.614 360 H GLY 46 HN GLY 46 1.962 -2.954 11.237 361 1HA GLY 46 HA2 GLY 46 3.925 -1.593 10.602 362 2HA GLY 46 HA1 GLY 46 4.927 -2.724 11.511 363 H LYS 47 HN LYS 47 2.643 -4.565 9.934 364 HA LYS 47 HA LYS 47 4.611 -5.453 7.943 365 1HB LYS 47 HB2 LYS 47 1.883 -6.307 8.912 366 2HB LYS 47 HB1 LYS 47 2.616 -7.065 7.497 367 1HG LYS 47 HG2 LYS 47 4.658 -6.993 9.423 368 2HG LYS 47 HG1 LYS 47 3.212 -7.482 10.306 369 1HD LYS 47 HD2 LYS 47 3.481 -8.799 7.695 370 2HD LYS 47 HD1 LYS 47 4.798 -9.172 8.808 371 1HE LYS 47 HE2 LYS 47 2.384 -9.261 10.323 372 2HE LYS 47 HE1 LYS 47 2.120 -10.205 8.843 373 1HZ LYS 47 HZ1 LYS 47 3.212 -11.525 10.580 374 2HZ LYS 47 HZ2 LYS 47 4.503 -10.422 10.608 375 3HZ LYS 47 HZ3 LYS 47 4.201 -11.345 9.214 376 H LYS 48 HN LYS 48 4.012 -5.614 5.620 377 HA LYS 48 HA LYS 48 1.956 -3.600 4.792 378 1HB LYS 48 HB2 LYS 48 4.835 -3.951 3.983 379 2HB LYS 48 HB1 LYS 48 3.693 -3.106 2.938 380 1HG LYS 48 HG2 LYS 48 4.165 -1.261 4.153 381 2HG LYS 48 HG1 LYS 48 3.204 -2.001 5.433 382 1HD LYS 48 HD2 LYS 48 5.195 -1.640 6.567 383 2HD LYS 48 HD1 LYS 48 5.468 -3.272 5.956 384 1HE LYS 48 HE2 LYS 48 6.374 -1.856 3.833 385 2HE LYS 48 HE1 LYS 48 6.750 -0.715 5.139 386 1HZ LYS 48 HZ1 LYS 48 8.568 -2.158 5.115 387 2HZ LYS 48 HZ2 LYS 48 7.604 -3.533 4.858 388 3HZ LYS 48 HZ3 LYS 48 7.601 -2.760 6.371 389 H VAL 49 HN VAL 49 0.631 -4.285 3.153 390 HA VAL 49 HA VAL 49 1.278 -6.922 1.872 391 HB VAL 49 HB VAL 49 -1.344 -5.488 2.416 392 1HG1 VAL 49 HG1 VAL 49 -1.025 -8.345 1.508 393 2HG1 VAL 49 HG1 VAL 49 -1.143 -7.032 0.337 394 3HG1 VAL 49 HG1 VAL 49 -2.466 -7.331 1.464 395 1HG2 VAL 49 HG2 VAL 49 -1.627 -7.564 3.916 396 2HG2 VAL 49 HG2 VAL 49 -0.508 -6.322 4.479 397 3HG2 VAL 49 HG2 VAL 49 0.111 -7.791 3.725 398 H CYS 50 HN CYS 50 1.631 -6.877 -0.318 399 HA CYS 50 HA CYS 50 1.415 -4.359 -1.802 400 1HB CYS 50 HB2 CYS 50 2.387 -7.166 -2.251 401 2HB CYS 50 HB1 CYS 50 2.146 -6.118 -3.648 402 H THR 51 HN THR 51 0.118 -4.133 -3.769 403 HA THR 51 HA THR 51 -1.981 -6.129 -4.326 404 HB THR 51 HB THR 51 -3.642 -4.063 -3.987 405 HG1 THR 51 HG1 THR 51 -1.723 -3.616 -1.967 406 1HG2 THR 51 HG2 THR 51 -2.987 -6.385 -2.567 407 2HG2 THR 51 HG2 THR 51 -4.437 -5.402 -2.361 408 3HG2 THR 51 HG2 THR 51 -3.023 -5.110 -1.349 409 H HIS 52 HN HIS 52 -3.183 -5.557 -6.307 410 HA HIS 52 HA HIS 52 -1.525 -4.046 -8.201 411 1HB HIS 52 HB2 HIS 52 -3.779 -5.972 -8.203 412 2HB HIS 52 HB1 HIS 52 -3.748 -4.844 -9.559 413 HD1 HIS 52 HD1 HIS 52 -0.837 -4.564 -10.194 414 HD2 HIS 52 HD2 HIS 52 -2.505 -8.237 -9.139 415 HE1 HIS 52 HE1 HIS 52 0.719 -6.345 -11.101 416 HA PRO 53 HA PRO 53 -3.940 -0.352 -7.775 417 1HB PRO 53 HB2 PRO 53 -3.090 0.952 -10.022 418 2HB PRO 53 HB1 PRO 53 -2.090 0.788 -8.565 419 1HG PRO 53 HG2 PRO 53 -1.958 -0.702 -11.127 420 2HG PRO 53 HG1 PRO 53 -0.655 -0.201 -10.041 421 1HD PRO 53 HD2 PRO 53 -1.683 -2.755 -10.185 422 2HD PRO 53 HD1 PRO 53 -0.814 -2.090 -8.787 423 H ARG 54 HN ARG 54 -3.908 -2.177 -10.810 424 HA ARG 54 HA ARG 54 -6.107 -0.936 -12.122 425 1HB ARG 54 HB2 ARG 54 -4.719 -3.588 -12.140 426 2HB ARG 54 HB1 ARG 54 -6.242 -3.446 -13.020 427 1HG ARG 54 HG2 ARG 54 -5.261 -1.358 -14.114 428 2HG ARG 54 HG1 ARG 54 -3.709 -1.845 -13.432 429 1HD ARG 54 HD2 ARG 54 -3.493 -3.032 -15.380 430 2HD ARG 54 HD1 ARG 54 -4.577 -4.194 -14.588 431 HE ARG 54 HE ARG 54 -5.729 -1.915 -16.136 432 1HH1 ARG 54 HH1 ARG 54 -4.828 -4.272 -17.800 433 2HH1 ARG 54 HH1 ARG 54 -6.276 -5.220 -17.876 434 1HH2 ARG 54 HH2 ARG 54 -7.811 -3.568 -15.242 435 2HH2 ARG 54 HH2 ARG 54 -7.965 -4.821 -16.427 436 H LYS 55 HN LYS 55 -6.007 -3.547 -9.698 437 HA LYS 55 HA LYS 55 -8.765 -4.281 -9.802 438 1HB LYS 55 HB2 LYS 55 -6.405 -4.645 -8.108 439 2HB LYS 55 HB1 LYS 55 -7.902 -4.628 -7.177 440 1HG LYS 55 HG2 LYS 55 -8.265 -6.753 -7.823 441 2HG LYS 55 HG1 LYS 55 -8.444 -6.171 -9.478 442 1HD LYS 55 HD2 LYS 55 -5.654 -6.439 -8.514 443 2HD LYS 55 HD1 LYS 55 -6.538 -7.952 -8.727 444 1HE LYS 55 HE2 LYS 55 -6.609 -5.849 -10.891 445 2HE LYS 55 HE1 LYS 55 -5.255 -6.993 -10.788 446 1HZ LYS 55 HZ1 LYS 55 -8.068 -7.891 -10.624 447 2HZ LYS 55 HZ2 LYS 55 -6.684 -8.817 -10.953 448 3HZ LYS 55 HZ3 LYS 55 -7.280 -7.732 -12.116 449 H LYS 56 HN LYS 56 -10.465 -2.936 -9.405 450 HA LYS 56 HA LYS 56 -10.399 -0.338 -8.358 451 1HB LYS 56 HB2 LYS 56 -12.323 -2.414 -9.016 452 2HB LYS 56 HB1 LYS 56 -12.875 -1.457 -7.640 453 1HG LYS 56 HG2 LYS 56 -12.231 0.607 -9.038 454 2HG LYS 56 HG1 LYS 56 -12.154 -0.499 -10.411 455 1HD LYS 56 HD2 LYS 56 -14.417 -0.762 -10.493 456 2HD LYS 56 HD1 LYS 56 -14.581 -0.748 -8.737 457 1HE LYS 56 HE2 LYS 56 -14.256 1.719 -8.736 458 2HE LYS 56 HE1 LYS 56 -14.162 1.688 -10.508 459 1HZ LYS 56 HZ1 LYS 56 -16.448 2.071 -9.468 460 2HZ LYS 56 HZ2 LYS 56 -16.408 0.421 -9.064 461 3HZ LYS 56 HZ3 LYS 56 -16.332 0.903 -10.692 462 H TRP 57 HN TRP 57 -11.096 -3.367 -6.571 463 HA TRP 57 HA TRP 57 -11.670 -2.313 -4.048 464 1HB TRP 57 HB2 TRP 57 -11.811 -4.549 -3.752 465 2HB TRP 57 HB1 TRP 57 -10.978 -4.802 -5.276 466 HD1 TRP 57 HD1 TRP 57 -8.418 -5.410 -5.202 467 HE1 TRP 57 HE1 TRP 57 -6.856 -6.177 -3.300 468 HE3 TRP 57 HE3 TRP 57 -11.320 -4.261 -1.160 469 HZ2 TRP 57 HZ2 TRP 57 -6.840 -6.289 -0.442 470 HZ3 TRP 57 HZ3 TRP 57 -10.508 -4.708 1.138 471 HH2 TRP 57 HH2 TRP 57 -8.274 -5.720 1.501 472 H VAL 58 HN VAL 58 -8.429 -2.906 -5.445 473 HA VAL 58 HA VAL 58 -6.923 -2.160 -3.125 474 HB VAL 58 HB VAL 58 -6.296 -1.921 -6.082 475 1HG1 VAL 58 HG1 VAL 58 -3.953 -2.024 -5.379 476 2HG1 VAL 58 HG1 VAL 58 -4.443 -2.156 -3.692 477 3HG1 VAL 58 HG1 VAL 58 -4.749 -0.666 -4.584 478 1HG2 VAL 58 HG2 VAL 58 -5.954 -4.178 -4.085 479 2HG2 VAL 58 HG2 VAL 58 -5.183 -4.155 -5.671 480 3HG2 VAL 58 HG2 VAL 58 -6.942 -4.192 -5.545 481 H GLN 59 HN GLN 59 -7.820 -0.234 -6.020 482 HA GLN 59 HA GLN 59 -6.716 2.238 -5.179 483 1HB GLN 59 HB2 GLN 59 -9.092 1.468 -6.898 484 2HB GLN 59 HB1 GLN 59 -8.516 3.129 -6.762 485 1HG GLN 59 HG2 GLN 59 -6.310 1.316 -7.272 486 2HG GLN 59 HG1 GLN 59 -7.551 1.158 -8.515 487 1HE2 GLN 59 HE2 GLN 59 -7.863 2.926 -9.969 488 2HE2 GLN 59 HE2 GLN 59 -6.903 4.326 -9.941 489 H LYS 60 HN LYS 60 -9.768 0.639 -4.413 490 HA LYS 60 HA LYS 60 -11.033 2.878 -3.147 491 1HB LYS 60 HB2 LYS 60 -11.665 0.287 -3.864 492 2HB LYS 60 HB1 LYS 60 -11.642 0.196 -2.102 493 1HG LYS 60 HG2 LYS 60 -13.036 2.417 -2.243 494 2HG LYS 60 HG1 LYS 60 -13.384 1.874 -3.885 495 1HD LYS 60 HD2 LYS 60 -13.756 -0.419 -2.367 496 2HD LYS 60 HD1 LYS 60 -14.407 0.858 -1.340 497 1HE LYS 60 HE2 LYS 60 -15.996 1.523 -2.970 498 2HE LYS 60 HE1 LYS 60 -15.137 0.677 -4.272 499 1HZ LYS 60 HZ1 LYS 60 -16.834 -0.789 -3.686 500 2HZ LYS 60 HZ2 LYS 60 -16.670 -0.480 -2.024 501 3HZ LYS 60 HZ3 LYS 60 -15.491 -1.389 -2.841 502 H TYR 61 HN TYR 61 -8.700 0.463 -2.063 503 HA TYR 61 HA TYR 61 -8.966 1.119 0.771 504 1HB TYR 61 HB2 TYR 61 -7.478 -0.695 -0.986 505 2HB TYR 61 HB1 TYR 61 -6.504 -0.101 0.358 506 HD1 TYR 61 HD1 TYR 61 -6.447 -1.711 2.060 507 HD2 TYR 61 HD2 TYR 61 -10.151 -0.914 0.034 508 HE1 TYR 61 HE1 TYR 61 -7.624 -3.259 3.597 509 HE2 TYR 61 HE2 TYR 61 -11.326 -2.461 1.571 510 HH TYR 61 HH TYR 61 -11.011 -4.118 3.109 511 H ILE 62 HN ILE 62 -7.088 2.313 -1.946 512 HA ILE 62 HA ILE 62 -5.032 3.670 -0.443 513 HB ILE 62 HB ILE 62 -6.281 4.308 -3.141 514 1HG1 ILE 62 HG1 ILE 62 -3.920 2.545 -2.414 515 2HG1 ILE 62 HG1 ILE 62 -5.486 1.973 -2.985 516 1HG2 ILE 62 HG2 ILE 62 -3.451 4.819 -2.899 517 2HG2 ILE 62 HG2 ILE 62 -4.318 5.665 -1.618 518 3HG2 ILE 62 HG2 ILE 62 -4.744 5.947 -3.306 519 1HD1 ILE 62 HD1 ILE 62 -3.361 3.471 -4.495 520 2HD1 ILE 62 HD1 ILE 62 -5.046 3.577 -5.007 521 3HD1 ILE 62 HD1 ILE 62 -4.235 2.012 -4.962 522 H SER 63 HN SER 63 -8.064 4.864 -1.944 523 HA SER 63 HA SER 63 -7.945 7.501 -0.827 524 1HB SER 63 HB2 SER 63 -9.380 6.791 -2.714 525 2HB SER 63 HB1 SER 63 -10.293 5.745 -1.631 526 HG SER 63 HG SER 63 -11.348 7.428 -0.941 527 H LEU 64 HN LEU 64 -9.307 4.443 0.352 528 HA LEU 64 HA LEU 64 -10.607 5.525 2.692 529 1HB LEU 64 HB2 LEU 64 -9.602 2.812 1.804 530 2HB LEU 64 HB1 LEU 64 -10.392 3.036 3.365 531 HG LEU 64 HG LEU 64 -11.660 4.001 0.802 532 1HD1 LEU 64 HD1 LEU 64 -12.753 1.527 1.899 533 2HD1 LEU 64 HD1 LEU 64 -11.086 1.327 1.359 534 3HD1 LEU 64 HD1 LEU 64 -12.313 1.912 0.236 535 1HD2 LEU 64 HD2 LEU 64 -13.595 4.223 2.096 536 2HD2 LEU 64 HD2 LEU 64 -12.342 4.651 3.262 537 3HD2 LEU 64 HD2 LEU 64 -13.055 3.037 3.286 538 H LEU 65 HN LEU 65 -7.429 3.975 2.154 539 HA LEU 65 HA LEU 65 -6.597 4.356 4.928 540 1HB LEU 65 HB2 LEU 65 -5.238 3.491 2.360 541 2HB LEU 65 HB1 LEU 65 -4.400 3.544 3.909 542 HG LEU 65 HG LEU 65 -6.838 1.873 3.220 543 1HD1 LEU 65 HD1 LEU 65 -4.996 0.154 4.174 544 2HD1 LEU 65 HD1 LEU 65 -3.915 1.381 3.518 545 3HD1 LEU 65 HD1 LEU 65 -5.083 0.586 2.467 546 1HD2 LEU 65 HD2 LEU 65 -5.898 1.066 5.697 547 2HD2 LEU 65 HD2 LEU 65 -7.324 2.065 5.429 548 3HD2 LEU 65 HD2 LEU 65 -5.771 2.820 5.786 549 H LYS 66 HN LYS 66 -7.307 6.850 4.290 550 HA LYS 66 HA LYS 66 -6.535 9.075 4.056 551 1HB LYS 66 HB2 LYS 66 -4.337 7.419 5.237 552 2HB LYS 66 HB1 LYS 66 -3.978 9.092 4.809 553 1HG LYS 66 HG2 LYS 66 -6.377 8.317 6.480 554 2HG LYS 66 HG1 LYS 66 -4.814 8.727 7.188 555 1HD LYS 66 HD2 LYS 66 -4.893 10.916 5.977 556 2HD LYS 66 HD1 LYS 66 -6.517 10.509 5.422 557 1HE LYS 66 HE2 LYS 66 -7.118 11.642 7.341 558 2HE LYS 66 HE1 LYS 66 -6.806 10.064 8.094 559 1HZ LYS 66 HZ1 LYS 66 -5.472 11.595 9.263 560 2HZ LYS 66 HZ2 LYS 66 -4.949 12.361 7.839 561 3HZ LYS 66 HZ3 LYS 66 -4.410 10.793 8.210 562 H THR 67 HN THR 67 -4.389 10.293 3.094 563 HA THR 67 HA THR 67 -3.322 8.938 0.704 564 HB THR 67 HB THR 67 -4.944 11.466 0.449 565 HG1 THR 67 HG1 THR 67 -6.656 10.288 0.585 566 1HG2 THR 67 HG2 THR 67 -5.071 10.084 -1.917 567 2HG2 THR 67 HG2 THR 67 -3.456 9.671 -1.344 568 3HG2 THR 67 HG2 THR 67 -3.908 11.361 -1.565 569 HA PRO 68 HA PRO 68 -0.457 11.998 2.600 570 1HB PRO 68 HB2 PRO 68 1.805 10.560 2.033 571 2HB PRO 68 HB1 PRO 68 0.818 10.279 3.482 572 1HG PRO 68 HG2 PRO 68 0.842 8.792 0.896 573 2HG PRO 68 HG1 PRO 68 0.757 8.168 2.552 574 1HD PRO 68 HD2 PRO 68 -1.414 8.360 0.965 575 2HD PRO 68 HD1 PRO 68 -1.500 8.571 2.729 576 H LYS 69 HN LYS 69 -0.926 13.470 0.828 577 HA LYS 69 HA LYS 69 1.206 13.786 -1.091 578 1HB LYS 69 HB2 LYS 69 -1.028 12.043 -1.727 579 2HB LYS 69 HB1 LYS 69 -0.951 13.394 -2.860 580 1HG LYS 69 HG2 LYS 69 1.078 12.743 -3.718 581 2HG LYS 69 HG1 LYS 69 1.627 12.069 -2.183 582 1HD LYS 69 HD2 LYS 69 0.920 10.005 -2.747 583 2HD LYS 69 HD1 LYS 69 -0.673 10.613 -3.198 584 1HE LYS 69 HE2 LYS 69 0.904 11.544 -5.267 585 2HE LYS 69 HE1 LYS 69 1.616 9.956 -4.921 586 1HZ LYS 69 HZ1 LYS 69 -0.490 8.921 -5.082 587 2HZ LYS 69 HZ2 LYS 69 -0.357 9.919 -6.451 588 3HZ LYS 69 HZ3 LYS 69 -1.307 10.406 -5.131 589 H GLN 70 HN GLN 70 0.830 15.709 -2.462 590 HA GLN 70 HA GLN 70 -1.015 17.630 -1.155 591 1HB GLN 70 HB2 GLN 70 1.286 17.789 -3.115 592 2HB GLN 70 HB1 GLN 70 0.315 19.202 -2.696 593 1HG GLN 70 HG2 GLN 70 1.398 17.529 -0.466 594 2HG GLN 70 HG1 GLN 70 2.513 18.594 -1.323 595 1HE2 GLN 70 HE2 GLN 70 0.758 18.610 1.411 596 2HE2 GLN 70 HE2 GLN 70 0.291 20.240 1.482 597 H LEU 71 HN LEU 71 -0.067 17.338 -4.583 598 HA LEU 71 HA LEU 71 -2.676 18.209 -5.509 599 1HB LEU 71 HB2 LEU 71 -0.070 17.280 -6.644 600 2HB LEU 71 HB1 LEU 71 -1.475 17.272 -7.711 601 HG LEU 71 HG LEU 71 -0.843 19.696 -6.039 602 1HD1 LEU 71 HD1 LEU 71 0.157 20.387 -8.453 603 2HD1 LEU 71 HD1 LEU 71 0.586 18.676 -8.440 604 3HD1 LEU 71 HD1 LEU 71 1.160 19.738 -7.154 605 1HD2 LEU 71 HD2 LEU 71 -2.540 20.608 -7.223 606 2HD2 LEU 71 HD2 LEU 71 -2.902 18.978 -7.791 607 3HD2 LEU 71 HD2 LEU 71 -1.867 20.037 -8.750 Start of MODEL 12 1 1H THR 1 HT1 THR 1 4.467 4.939 17.128 2 2H THR 1 HT2 THR 1 5.112 5.350 18.645 3 3H THR 1 HT3 THR 1 3.585 4.614 18.540 4 HA THR 1 HA THR 1 5.473 3.103 19.234 5 HB THR 1 HB THR 1 3.750 2.592 16.786 6 HG1 THR 1 HG1 THR 1 2.221 2.611 18.197 7 1HG2 THR 1 HG2 THR 1 5.485 0.871 17.019 8 2HG2 THR 1 HG2 THR 1 3.907 0.212 17.448 9 3HG2 THR 1 HG2 THR 1 5.053 0.650 18.714 10 H ARG 2 HN ARG 2 5.238 3.213 15.665 11 HA ARG 2 HA ARG 2 8.240 3.176 15.566 12 1HB ARG 2 HB2 ARG 2 6.118 1.467 14.363 13 2HB ARG 2 HB1 ARG 2 7.504 1.834 13.336 14 1HG ARG 2 HG2 ARG 2 8.773 1.226 15.661 15 2HG ARG 2 HG1 ARG 2 7.360 0.179 15.788 16 1HD ARG 2 HD2 ARG 2 7.846 -0.777 13.565 17 2HD ARG 2 HD1 ARG 2 9.263 0.282 13.419 18 HE ARG 2 HE ARG 2 8.988 -1.691 15.657 19 1HH1 ARG 2 HH2 ARG 2 10.451 -1.594 12.727 20 2HH1 ARG 2 HH2 ARG 2 12.083 -1.678 13.299 21 1HH2 ARG 2 HH1 ARG 2 11.228 -1.137 16.615 22 2HH2 ARG 2 HH1 ARG 2 12.524 -1.417 15.502 23 H GLY 3 HN GLY 3 9.095 4.029 13.460 24 1HA GLY 3 HA2 GLY 3 7.251 6.079 12.294 25 2HA GLY 3 HA1 GLY 3 8.968 6.381 12.558 26 H SER 4 HN SER 4 9.279 6.796 10.290 27 HA SER 4 HA SER 4 9.125 4.338 8.571 28 1HB SER 4 HB2 SER 4 9.080 6.269 6.764 29 2HB SER 4 HB1 SER 4 7.611 5.849 7.639 30 HG SER 4 HG SER 4 8.690 8.184 7.525 31 H ASP 5 HN ASP 5 10.927 3.981 7.154 32 HA ASP 5 HA ASP 5 13.181 5.780 6.954 33 1HB ASP 5 HB2 ASP 5 14.709 4.506 8.425 34 2HB ASP 5 HB1 ASP 5 13.332 5.125 9.337 35 H ILE 6 HN ILE 6 12.045 2.409 6.874 36 HA ILE 6 HA ILE 6 13.845 1.928 4.522 37 HB ILE 6 HB ILE 6 12.596 0.042 6.549 38 1HG1 ILE 6 HG1 ILE 6 15.534 0.584 6.121 39 2HG1 ILE 6 HG1 ILE 6 14.573 1.599 7.197 40 1HG2 ILE 6 HG2 ILE 6 14.507 -1.415 5.320 41 2HG2 ILE 6 HG2 ILE 6 14.027 -0.378 3.977 42 3HG2 ILE 6 HG2 ILE 6 12.829 -1.395 4.776 43 1HD1 ILE 6 HD1 ILE 6 13.803 -0.605 8.293 44 2HD1 ILE 6 HD1 ILE 6 15.459 -0.086 8.612 45 3HD1 ILE 6 HD1 ILE 6 15.146 -1.356 7.431 46 H SER 7 HN SER 7 11.482 3.268 3.951 47 HA SER 7 HA SER 7 9.532 1.191 3.093 48 1HB SER 7 HB2 SER 7 7.980 3.006 3.021 49 2HB SER 7 HB1 SER 7 8.963 3.291 4.455 50 HG SER 7 HG SER 7 10.272 4.666 3.119 51 H LYS 8 HN LYS 8 12.110 1.568 1.688 52 HA LYS 8 HA LYS 8 11.206 2.782 -0.879 53 1HB LYS 8 HB2 LYS 8 13.818 2.334 0.520 54 2HB LYS 8 HB1 LYS 8 13.817 2.451 -1.241 55 1HG LYS 8 HG2 LYS 8 13.095 4.659 -1.232 56 2HG LYS 8 HG1 LYS 8 12.305 4.501 0.337 57 1HD LYS 8 HD2 LYS 8 15.306 4.485 -0.099 58 2HD LYS 8 HD1 LYS 8 14.377 5.873 0.465 59 1HE LYS 8 HE2 LYS 8 13.509 4.057 2.256 60 2HE LYS 8 HE1 LYS 8 15.116 3.381 1.925 61 1HZ LYS 8 HZ1 LYS 8 15.902 5.790 2.107 62 2HZ LYS 8 HZ2 LYS 8 15.518 4.981 3.551 63 3HZ LYS 8 HZ3 LYS 8 14.421 6.091 2.879 64 H THR 9 HN THR 9 10.194 0.201 -0.210 65 HA THR 9 HA THR 9 11.783 -1.604 -2.004 66 HB THR 9 HB THR 9 11.531 -2.316 0.347 67 HG1 THR 9 HG1 THR 9 9.905 -3.772 -1.463 68 1HG2 THR 9 HG2 THR 9 8.605 -1.921 -0.282 69 2HG2 THR 9 HG2 THR 9 9.540 -1.227 1.042 70 3HG2 THR 9 HG2 THR 9 9.144 -2.945 1.050 71 H CYS 10 HN CYS 10 10.573 -2.837 -3.580 72 HA CYS 10 HA CYS 10 8.011 -1.536 -4.371 73 1HB CYS 10 HB2 CYS 10 10.316 -2.843 -5.676 74 2HB CYS 10 HB1 CYS 10 8.756 -3.227 -6.406 75 H CYS 11 HN CYS 11 6.929 -3.646 -5.891 76 HA CYS 11 HA CYS 11 6.342 -5.686 -3.768 77 1HB CYS 11 HB2 CYS 11 4.604 -4.125 -5.673 78 2HB CYS 11 HB1 CYS 11 4.031 -5.625 -4.942 79 H PHE 12 HN PHE 12 5.129 -7.615 -4.858 80 HA PHE 12 HA PHE 12 6.063 -8.255 -7.586 81 1HB PHE 12 HB2 PHE 12 6.941 -9.613 -5.027 82 2HB PHE 12 HB1 PHE 12 7.062 -10.409 -6.596 83 HD1 PHE 12 HD1 PHE 12 9.002 -8.782 -4.328 84 HD2 PHE 12 HD2 PHE 12 7.923 -8.485 -8.476 85 HE1 PHE 12 HE1 PHE 12 11.111 -7.563 -4.789 86 HE2 PHE 12 HE2 PHE 12 10.033 -7.265 -8.936 87 HZ PHE 12 HZ PHE 12 11.627 -6.805 -7.093 88 H GLN 13 HN GLN 13 4.496 -9.452 -4.616 89 HA GLN 13 HA GLN 13 2.569 -10.984 -6.305 90 1HB GLN 13 HB2 GLN 13 4.108 -11.538 -3.950 91 2HB GLN 13 HB1 GLN 13 2.397 -11.612 -3.524 92 1HG GLN 13 HG2 GLN 13 2.342 -13.669 -4.440 93 2HG GLN 13 HG1 GLN 13 2.584 -12.906 -6.011 94 1HE2 GLN 13 HE2 GLN 13 3.673 -15.525 -5.203 95 2HE2 GLN 13 HE2 GLN 13 5.363 -15.388 -5.271 96 H TYR 14 HN TYR 14 0.313 -11.094 -5.122 97 HA TYR 14 HA TYR 14 -0.323 -8.547 -3.728 98 1HB TYR 14 HB2 TYR 14 -1.752 -9.576 -6.199 99 2HB TYR 14 HB1 TYR 14 -2.089 -8.068 -5.348 100 HD1 TYR 14 HD1 TYR 14 -0.390 -9.470 -8.083 101 HD2 TYR 14 HD2 TYR 14 0.078 -6.518 -4.997 102 HE1 TYR 14 HE1 TYR 14 1.332 -8.319 -9.445 103 HE2 TYR 14 HE2 TYR 14 1.801 -5.367 -6.361 104 HH TYR 14 HH TYR 14 2.359 -5.217 -8.870 105 H SER 15 HN SER 15 -2.417 -8.647 -2.623 106 HA SER 15 HA SER 15 -3.114 -11.398 -1.802 107 1HB SER 15 HB2 SER 15 -2.695 -9.617 -0.149 108 2HB SER 15 HB1 SER 15 -3.986 -8.650 -0.857 109 HG SER 15 HG SER 15 -5.217 -9.702 0.481 110 H HIS 16 HN HIS 16 -5.494 -11.921 -1.600 111 HA HIS 16 HA HIS 16 -7.114 -10.615 -3.760 112 1HB HIS 16 HB2 HIS 16 -5.951 -13.068 -3.922 113 2HB HIS 16 HB1 HIS 16 -7.492 -13.503 -3.182 114 HD1 HIS 16 HD1 HIS 16 -8.442 -14.581 -5.336 115 HD2 HIS 16 HD2 HIS 16 -7.352 -10.586 -5.819 116 HE1 HIS 16 HE1 HIS 16 -9.404 -13.839 -7.559 117 H LYS 17 HN LYS 17 -7.362 -9.812 -1.101 118 HA LYS 17 HA LYS 17 -10.151 -10.466 -0.557 119 1HB LYS 17 HB2 LYS 17 -9.665 -11.503 1.657 120 2HB LYS 17 HB1 LYS 17 -9.009 -12.455 0.325 121 1HG LYS 17 HG2 LYS 17 -7.120 -12.385 1.629 122 2HG LYS 17 HG1 LYS 17 -6.892 -10.855 0.781 123 1HD LYS 17 HD2 LYS 17 -6.732 -10.023 2.905 124 2HD LYS 17 HD1 LYS 17 -8.493 -10.032 2.807 125 1HE LYS 17 HE2 LYS 17 -8.598 -12.205 3.911 126 2HE LYS 17 HE1 LYS 17 -6.826 -12.325 3.905 127 1HZ LYS 17 HZ1 LYS 17 -6.634 -10.458 5.301 128 2HZ LYS 17 HZ2 LYS 17 -7.855 -11.407 6.004 129 3HZ LYS 17 HZ3 LYS 17 -8.262 -10.025 5.102 130 HA PRO 18 HA PRO 18 -9.757 -6.504 1.325 131 1HB PRO 18 HB2 PRO 18 -11.967 -6.497 2.938 132 2HB PRO 18 HB1 PRO 18 -12.058 -6.332 1.173 133 1HG PRO 18 HG2 PRO 18 -12.578 -8.703 2.883 134 2HG PRO 18 HG1 PRO 18 -13.382 -8.181 1.395 135 1HD PRO 18 HD2 PRO 18 -11.510 -10.188 1.523 136 2HD PRO 18 HD1 PRO 18 -11.876 -9.248 0.060 137 H LEU 19 HN LEU 19 -8.280 -6.034 2.892 138 HA LEU 19 HA LEU 19 -7.723 -7.788 5.132 139 1HB LEU 19 HB2 LEU 19 -6.390 -5.931 3.685 140 2HB LEU 19 HB1 LEU 19 -6.827 -4.950 5.084 141 HG LEU 19 HG LEU 19 -5.793 -7.637 5.740 142 1HD1 LEU 19 HD1 LEU 19 -3.743 -5.611 4.921 143 2HD1 LEU 19 HD1 LEU 19 -4.461 -6.642 3.683 144 3HD1 LEU 19 HD1 LEU 19 -3.596 -7.364 5.039 145 1HD2 LEU 19 HD2 LEU 19 -6.322 -5.558 7.240 146 2HD2 LEU 19 HD2 LEU 19 -4.753 -4.974 6.687 147 3HD2 LEU 19 HD2 LEU 19 -4.866 -6.494 7.573 148 HA PRO 20 HA PRO 20 -10.651 -6.116 7.997 149 1HB PRO 20 HB2 PRO 20 -9.373 -6.694 10.350 150 2HB PRO 20 HB1 PRO 20 -10.188 -7.924 9.363 151 1HG PRO 20 HG2 PRO 20 -7.289 -7.251 9.530 152 2HG PRO 20 HG1 PRO 20 -8.075 -8.836 9.440 153 1HD PRO 20 HD2 PRO 20 -6.919 -7.657 7.300 154 2HD PRO 20 HD1 PRO 20 -8.327 -8.731 7.159 155 H TRP 21 HN TRP 21 -10.744 -3.891 8.001 156 HA TRP 21 HA TRP 21 -8.671 -2.031 8.180 157 1HB TRP 21 HB2 TRP 21 -11.547 -1.968 9.124 158 2HB TRP 21 HB1 TRP 21 -10.532 -0.525 9.039 159 HD1 TRP 21 HD1 TRP 21 -12.243 -3.130 6.850 160 HE1 TRP 21 HE1 TRP 21 -12.240 -2.301 4.408 161 HE3 TRP 21 HE3 TRP 21 -9.285 1.004 7.327 162 HZ2 TRP 21 HZ2 TRP 21 -11.126 -0.165 2.862 163 HZ3 TRP 21 HZ3 TRP 21 -8.769 2.417 5.357 164 HH2 TRP 21 HH2 TRP 21 -9.685 1.837 3.128 165 H THR 22 HN THR 22 -10.071 -3.926 10.774 166 HA THR 22 HA THR 22 -9.397 -2.363 13.034 167 HB THR 22 HB THR 22 -9.108 -4.754 14.037 168 HG1 THR 22 HG1 THR 22 -10.123 -6.267 12.486 169 1HG2 THR 22 HG2 THR 22 -11.474 -3.427 12.854 170 2HG2 THR 22 HG2 THR 22 -11.209 -3.992 14.503 171 3HG2 THR 22 HG2 THR 22 -11.684 -5.134 13.245 172 H TRP 23 HN TRP 23 -7.377 -4.445 10.998 173 HA TRP 23 HA TRP 23 -5.001 -3.720 12.652 174 1HB TRP 23 HB2 TRP 23 -5.457 -5.904 10.599 175 2HB TRP 23 HB1 TRP 23 -3.989 -5.691 11.547 176 HD1 TRP 23 HD1 TRP 23 -6.007 -4.846 14.164 177 HE1 TRP 23 HE1 TRP 23 -6.923 -6.839 15.521 178 HE3 TRP 23 HE3 TRP 23 -5.296 -8.602 10.787 179 HZ2 TRP 23 HZ2 TRP 23 -7.302 -9.663 15.209 180 HZ3 TRP 23 HZ3 TRP 23 -5.938 -10.933 11.339 181 HH2 TRP 23 HH2 TRP 23 -6.939 -11.467 13.543 182 H VAL 24 HN VAL 24 -6.499 -2.346 10.165 183 HA VAL 24 HA VAL 24 -4.158 -2.167 8.353 184 HB VAL 24 HB VAL 24 -6.976 -1.067 8.166 185 1HG1 VAL 24 HG1 VAL 24 -6.454 -0.317 6.027 186 2HG1 VAL 24 HG1 VAL 24 -5.134 -1.471 5.833 187 3HG1 VAL 24 HG1 VAL 24 -4.914 -0.040 6.841 188 1HG2 VAL 24 HG2 VAL 24 -6.437 -3.656 8.148 189 2HG2 VAL 24 HG2 VAL 24 -5.862 -3.318 6.516 190 3HG2 VAL 24 HG2 VAL 24 -7.538 -2.981 6.947 191 H ARG 25 HN ARG 25 -2.889 -0.333 8.241 192 HA ARG 25 HA ARG 25 -3.615 1.925 10.073 193 1HB ARG 25 HB2 ARG 25 -1.577 0.551 10.540 194 2HB ARG 25 HB1 ARG 25 -0.932 1.035 8.972 195 1HG ARG 25 HG2 ARG 25 -1.218 3.447 9.734 196 2HG ARG 25 HG1 ARG 25 -1.538 2.810 11.347 197 1HD ARG 25 HD2 ARG 25 0.656 1.771 11.444 198 2HD ARG 25 HD1 ARG 25 0.975 2.197 9.751 199 HE ARG 25 HE ARG 25 1.019 4.057 12.026 200 1HH1 ARG 25 HH1 ARG 25 3.039 4.147 9.852 201 2HH1 ARG 25 HH1 ARG 25 2.523 5.508 8.912 202 1HH2 ARG 25 HH2 ARG 25 -0.663 5.580 10.285 203 2HH2 ARG 25 HH2 ARG 25 0.424 6.318 9.156 204 H SER 26 HN SER 26 -1.882 1.317 6.979 205 HA SER 26 HA SER 26 -3.283 3.507 5.650 206 1HB SER 26 HB2 SER 26 -1.336 4.982 5.485 207 2HB SER 26 HB1 SER 26 -1.672 4.656 7.182 208 HG SER 26 HG SER 26 0.491 3.990 5.646 209 H TYR 27 HN TYR 27 -1.115 4.035 3.777 210 HA TYR 27 HA TYR 27 -0.299 1.399 2.747 211 1HB TYR 27 HB2 TYR 27 -1.653 1.495 0.775 212 2HB TYR 27 HB1 TYR 27 -2.730 1.897 2.107 213 HD1 TYR 27 HD1 TYR 27 -0.953 3.165 -0.840 214 HD2 TYR 27 HD2 TYR 27 -3.512 4.211 2.447 215 HE1 TYR 27 HE1 TYR 27 -1.465 5.330 -1.930 216 HE2 TYR 27 HE2 TYR 27 -4.024 6.379 1.356 217 HH TYR 27 HH TYR 27 -2.250 7.542 -1.346 218 H GLU 28 HN GLU 28 0.498 2.030 0.222 219 HA GLU 28 HA GLU 28 1.698 4.621 -0.130 220 1HB GLU 28 HB2 GLU 28 4.058 3.891 0.382 221 2HB GLU 28 HB1 GLU 28 3.017 3.967 1.803 222 1HG GLU 28 HG2 GLU 28 2.720 1.588 1.825 223 2HG GLU 28 HG1 GLU 28 3.462 1.419 0.233 224 H PHE 29 HN PHE 29 2.434 4.770 -2.249 225 HA PHE 29 HA PHE 29 2.106 2.433 -3.992 226 1HB PHE 29 HB2 PHE 29 2.121 5.299 -4.136 227 2HB PHE 29 HB1 PHE 29 3.285 4.677 -5.305 228 HD1 PHE 29 HD1 PHE 29 -0.147 5.359 -4.705 229 HD2 PHE 29 HD2 PHE 29 2.467 2.638 -6.760 230 HE1 PHE 29 HE1 PHE 29 -2.004 4.718 -6.218 231 HE2 PHE 29 HE2 PHE 29 0.608 1.996 -8.272 232 HZ PHE 29 HZ PHE 29 -1.627 3.036 -8.002 233 H THR 30 HN THR 30 3.857 1.729 -5.475 234 HA THR 30 HA THR 30 6.441 1.532 -4.085 235 HB THR 30 HB THR 30 6.865 0.064 -6.169 236 HG1 THR 30 HG1 THR 30 5.434 0.442 -7.649 237 1HG2 THR 30 HG2 THR 30 6.145 -0.780 -3.932 238 2HG2 THR 30 HG2 THR 30 5.517 -1.748 -5.266 239 3HG2 THR 30 HG2 THR 30 4.467 -0.595 -4.440 240 H SER 31 HN SER 31 8.465 1.803 -5.550 241 HA SER 31 HA SER 31 8.498 4.526 -6.591 242 1HB SER 31 HB2 SER 31 10.910 3.785 -7.090 243 2HB SER 31 HB1 SER 31 10.402 3.724 -5.405 244 HG SER 31 HG SER 31 10.986 1.708 -5.546 245 H ASN 32 HN ASN 32 9.553 4.909 -8.821 246 HA ASN 32 HA ASN 32 8.062 3.342 -10.838 247 1HB ASN 32 HB2 ASN 32 9.474 5.960 -10.607 248 2HB ASN 32 HB1 ASN 32 9.357 5.253 -12.219 249 1HD2 ASN 32 HD2 ASN 32 7.146 4.824 -13.067 250 2HD2 ASN 32 HD2 ASN 32 5.817 5.672 -12.438 251 H SER 33 HN SER 33 10.940 2.811 -9.347 252 HA SER 33 HA SER 33 12.434 2.105 -11.818 253 1HB SER 33 HB2 SER 33 13.452 3.494 -9.987 254 2HB SER 33 HB1 SER 33 13.279 2.116 -8.905 255 HG SER 33 HG SER 33 15.162 1.591 -9.693 256 H CYS 34 HN CYS 34 10.202 0.466 -11.257 257 HA CYS 34 HA CYS 34 11.560 -2.090 -10.480 258 1HB CYS 34 HB2 CYS 34 8.859 -1.013 -9.626 259 2HB CYS 34 HB1 CYS 34 9.427 -2.650 -9.290 260 H SER 35 HN SER 35 9.808 -3.948 -11.082 261 HA SER 35 HA SER 35 9.348 -3.628 -13.974 262 1HB SER 35 HB2 SER 35 9.523 -5.781 -11.943 263 2HB SER 35 HB1 SER 35 8.465 -6.113 -13.311 264 HG SER 35 HG SER 35 11.131 -5.158 -13.526 265 H GLN 36 HN GLN 36 7.343 -4.495 -11.123 266 HA GLN 36 HA GLN 36 4.936 -3.691 -12.726 267 1HB GLN 36 HB2 GLN 36 5.641 -5.975 -11.007 268 2HB GLN 36 HB1 GLN 36 4.058 -5.284 -10.651 269 1HG GLN 36 HG2 GLN 36 3.171 -6.001 -12.614 270 2HG GLN 36 HG1 GLN 36 4.617 -5.572 -13.528 271 1HE2 GLN 36 HE2 GLN 36 5.122 -7.523 -14.595 272 2HE2 GLN 36 HE2 GLN 36 5.367 -9.003 -13.802 273 H ARG 37 HN ARG 37 4.769 -1.513 -12.020 274 HA ARG 37 HA ARG 37 5.171 -0.546 -9.374 275 1HB ARG 37 HB2 ARG 37 4.676 0.545 -11.760 276 2HB ARG 37 HB1 ARG 37 3.020 0.553 -11.151 277 1HG ARG 37 HG2 ARG 37 4.331 1.521 -8.979 278 2HG ARG 37 HG1 ARG 37 5.365 2.137 -10.269 279 1HD ARG 37 HD2 ARG 37 2.347 2.481 -10.248 280 2HD ARG 37 HD1 ARG 37 3.486 3.710 -9.663 281 HE ARG 37 HE ARG 37 4.023 2.649 -12.364 282 1HH1 ARG 37 HH1 ARG 37 4.164 5.362 -10.495 283 2HH1 ARG 37 HH1 ARG 37 3.500 6.452 -11.665 284 1HH2 ARG 37 HH2 ARG 37 2.507 3.936 -13.835 285 2HH2 ARG 37 HH2 ARG 37 2.559 5.644 -13.555 286 H ALA 38 HN ALA 38 3.854 -0.670 -7.534 287 HA ALA 38 HA ALA 38 1.014 -1.436 -7.854 288 1HB ALA 38 HB1 ALA 38 2.785 -3.021 -6.014 289 2HB ALA 38 HB2 ALA 38 2.697 -3.431 -7.726 290 3HB ALA 38 HB3 ALA 38 1.242 -3.485 -6.732 291 H VAL 39 HN VAL 39 -0.017 -1.587 -5.572 292 HA VAL 39 HA VAL 39 1.044 0.659 -3.895 293 HB VAL 39 HB VAL 39 -1.732 -0.550 -4.165 294 1HG1 VAL 39 HG1 VAL 39 -2.210 1.831 -3.110 295 2HG1 VAL 39 HG1 VAL 39 -0.558 1.661 -2.516 296 3HG1 VAL 39 HG1 VAL 39 -1.781 0.468 -2.078 297 1HG2 VAL 39 HG2 VAL 39 -0.408 0.981 -6.025 298 2HG2 VAL 39 HG2 VAL 39 -1.227 2.212 -5.064 299 3HG2 VAL 39 HG2 VAL 39 -2.162 0.933 -5.836 300 H ILE 40 HN ILE 40 0.819 0.349 -1.516 301 HA ILE 40 HA ILE 40 0.698 -2.537 -0.719 302 HB ILE 40 HB ILE 40 2.619 -0.339 0.104 303 1HG1 ILE 40 HG1 ILE 40 3.494 -2.968 -0.981 304 2HG1 ILE 40 HG1 ILE 40 2.742 -1.852 -2.121 305 1HG2 ILE 40 HG2 ILE 40 2.537 -3.223 1.025 306 2HG2 ILE 40 HG2 ILE 40 1.946 -1.864 1.981 307 3HG2 ILE 40 HG2 ILE 40 3.656 -1.969 1.563 308 1HD1 ILE 40 HD1 ILE 40 5.001 -1.059 -0.270 309 2HD1 ILE 40 HD1 ILE 40 4.350 -0.134 -1.624 310 3HD1 ILE 40 HD1 ILE 40 5.254 -1.619 -1.923 311 H PHE 41 HN PHE 41 -0.622 -2.906 1.035 312 HA PHE 41 HA PHE 41 -1.810 -0.554 2.436 313 1HB PHE 41 HB2 PHE 41 -2.537 -3.485 2.126 314 2HB PHE 41 HB1 PHE 41 -3.408 -2.402 3.210 315 HD1 PHE 41 HD1 PHE 41 -3.970 -3.919 0.322 316 HD2 PHE 41 HD2 PHE 41 -3.488 0.114 1.718 317 HE1 PHE 41 HE1 PHE 41 -5.324 -3.097 -1.585 318 HE2 PHE 41 HE2 PHE 41 -4.841 0.936 -0.190 319 HZ PHE 41 HZ PHE 41 -5.759 -0.670 -1.842 320 H THR 42 HN THR 42 -0.777 -0.072 4.373 321 HA THR 42 HA THR 42 0.838 -2.152 5.673 322 HB THR 42 HB THR 42 0.672 0.419 7.004 323 HG1 THR 42 HG1 THR 42 0.802 1.724 5.379 324 1HG2 THR 42 HG2 THR 42 2.680 -1.397 5.793 325 2HG2 THR 42 HG2 THR 42 2.658 -0.658 7.394 326 3HG2 THR 42 HG2 THR 42 3.150 0.290 5.990 327 H THR 43 HN THR 43 0.407 -3.013 7.706 328 HA THR 43 HA THR 43 -2.349 -2.560 8.730 329 HB THR 43 HB THR 43 -1.504 -4.723 10.044 330 HG1 THR 43 HG1 THR 43 0.216 -5.609 9.202 331 1HG2 THR 43 HG2 THR 43 -3.283 -4.416 8.189 332 2HG2 THR 43 HG2 THR 43 -2.581 -6.020 8.399 333 3HG2 THR 43 HG2 THR 43 -2.024 -4.979 7.089 334 H LYS 44 HN LYS 44 -2.317 -3.144 11.282 335 HA LYS 44 HA LYS 44 -0.784 -0.974 12.542 336 1HB LYS 44 HB2 LYS 44 -2.947 -2.924 13.327 337 2HB LYS 44 HB1 LYS 44 -2.164 -1.912 14.542 338 1HG LYS 44 HG2 LYS 44 -2.689 -0.036 12.668 339 2HG LYS 44 HG1 LYS 44 -4.024 -1.147 12.356 340 1HD LYS 44 HD2 LYS 44 -5.105 -0.349 14.156 341 2HD LYS 44 HD1 LYS 44 -3.770 -0.875 15.183 342 1HE LYS 44 HE2 LYS 44 -2.590 1.313 14.361 343 2HE LYS 44 HE1 LYS 44 -4.234 1.830 13.939 344 1HZ LYS 44 HZ1 LYS 44 -3.587 2.360 16.268 345 2HZ LYS 44 HZ2 LYS 44 -3.481 0.693 16.577 346 3HZ LYS 44 HZ3 LYS 44 -4.971 1.387 16.148 347 H ARG 45 HN ARG 45 -0.418 -4.380 12.089 348 HA ARG 45 HA ARG 45 1.124 -4.883 14.522 349 1HB ARG 45 HB2 ARG 45 -0.189 -6.332 12.509 350 2HB ARG 45 HB1 ARG 45 1.517 -6.734 12.312 351 1HG ARG 45 HG2 ARG 45 1.699 -7.477 14.580 352 2HG ARG 45 HG1 ARG 45 0.123 -6.801 14.996 353 1HD ARG 45 HD2 ARG 45 0.018 -9.277 14.667 354 2HD ARG 45 HD1 ARG 45 -0.974 -8.417 13.472 355 HE ARG 45 HE ARG 45 1.833 -8.967 12.710 356 1HH1 ARG 45 HH2 ARG 45 -0.020 -11.437 12.959 357 2HH1 ARG 45 HH2 ARG 45 -0.528 -11.608 11.312 358 1HH2 ARG 45 HH1 ARG 45 0.535 -8.442 10.377 359 2HH2 ARG 45 HH1 ARG 45 -0.216 -9.911 9.851 360 H GLY 46 HN GLY 46 1.847 -3.169 11.723 361 1HA GLY 46 HA2 GLY 46 3.983 -2.186 11.273 362 2HA GLY 46 HA1 GLY 46 4.741 -3.436 12.259 363 H LYS 47 HN LYS 47 2.389 -4.493 9.956 364 HA LYS 47 HA LYS 47 4.599 -5.552 8.249 365 1HB LYS 47 HB2 LYS 47 2.520 -6.790 9.663 366 2HB LYS 47 HB1 LYS 47 1.999 -6.829 7.978 367 1HG LYS 47 HG2 LYS 47 4.766 -7.682 8.855 368 2HG LYS 47 HG1 LYS 47 3.415 -8.809 8.724 369 1HD LYS 47 HD2 LYS 47 3.149 -8.300 6.364 370 2HD LYS 47 HD1 LYS 47 4.373 -7.034 6.461 371 1HE LYS 47 HE2 LYS 47 6.130 -8.548 6.559 372 2HE LYS 47 HE1 LYS 47 5.137 -9.805 7.325 373 1HZ LYS 47 HZ1 LYS 47 4.532 -8.829 4.604 374 2HZ LYS 47 HZ2 LYS 47 4.062 -10.288 5.338 375 3HZ LYS 47 HZ3 LYS 47 5.673 -10.060 4.846 376 H LYS 48 HN LYS 48 4.536 -5.062 6.060 377 HA LYS 48 HA LYS 48 2.261 -3.351 5.135 378 1HB LYS 48 HB2 LYS 48 4.970 -3.711 3.831 379 2HB LYS 48 HB1 LYS 48 3.845 -2.371 3.637 380 1HG LYS 48 HG2 LYS 48 4.284 -2.323 6.347 381 2HG LYS 48 HG1 LYS 48 5.856 -2.846 5.741 382 1HD LYS 48 HD2 LYS 48 4.500 -0.575 4.346 383 2HD LYS 48 HD1 LYS 48 5.247 -0.260 5.913 384 1HE LYS 48 HE2 LYS 48 7.062 -1.857 4.365 385 2HE LYS 48 HE1 LYS 48 6.556 -0.463 3.391 386 1HZ LYS 48 HZ1 LYS 48 8.388 0.151 4.836 387 2HZ LYS 48 HZ2 LYS 48 7.524 -0.372 6.201 388 3HZ LYS 48 HZ3 LYS 48 6.979 0.966 5.309 389 H VAL 49 HN VAL 49 0.893 -4.207 3.617 390 HA VAL 49 HA VAL 49 1.701 -6.761 2.279 391 HB VAL 49 HB VAL 49 -1.000 -5.476 2.815 392 1HG1 VAL 49 HG1 VAL 49 -0.330 -7.366 0.879 393 2HG1 VAL 49 HG1 VAL 49 -1.944 -7.073 1.524 394 3HG1 VAL 49 HG1 VAL 49 -0.932 -8.336 2.223 395 1HG2 VAL 49 HG2 VAL 49 -1.045 -7.702 4.274 396 2HG2 VAL 49 HG2 VAL 49 -0.330 -6.221 4.909 397 3HG2 VAL 49 HG2 VAL 49 0.704 -7.484 4.243 398 H CYS 50 HN CYS 50 1.851 -6.799 0.042 399 HA CYS 50 HA CYS 50 1.671 -4.266 -1.425 400 1HB CYS 50 HB2 CYS 50 2.492 -7.111 -1.954 401 2HB CYS 50 HB1 CYS 50 2.279 -6.002 -3.308 402 H THR 51 HN THR 51 0.372 -4.060 -3.409 403 HA THR 51 HA THR 51 -1.865 -5.914 -3.863 404 HB THR 51 HB THR 51 -3.396 -3.761 -3.482 405 HG1 THR 51 HG1 THR 51 -2.494 -2.277 -2.307 406 1HG2 THR 51 HG2 THR 51 -4.194 -4.976 -1.754 407 2HG2 THR 51 HG2 THR 51 -2.672 -4.867 -0.871 408 3HG2 THR 51 HG2 THR 51 -2.888 -6.107 -2.106 409 H HIS 52 HN HIS 52 -3.116 -5.232 -5.806 410 HA HIS 52 HA HIS 52 -1.415 -3.688 -7.674 411 1HB HIS 52 HB2 HIS 52 -2.730 -6.055 -7.860 412 2HB HIS 52 HB1 HIS 52 -3.947 -4.974 -8.538 413 HD1 HIS 52 HD1 HIS 52 -3.626 -5.659 -10.993 414 HD2 HIS 52 HD2 HIS 52 -0.093 -4.391 -9.179 415 HE1 HIS 52 HE1 HIS 52 -1.920 -5.400 -12.848 416 HA PRO 53 HA PRO 53 -4.173 -0.229 -7.349 417 1HB PRO 53 HB2 PRO 53 -3.306 1.179 -9.526 418 2HB PRO 53 HB1 PRO 53 -2.385 1.082 -8.012 419 1HG PRO 53 HG2 PRO 53 -1.963 -0.348 -10.575 420 2HG PRO 53 HG1 PRO 53 -0.780 0.246 -9.401 421 1HD PRO 53 HD2 PRO 53 -1.574 -2.385 -9.643 422 2HD PRO 53 HD1 PRO 53 -0.847 -1.673 -8.188 423 H ARG 54 HN ARG 54 -3.796 -2.027 -10.373 424 HA ARG 54 HA ARG 54 -5.993 -0.966 -11.836 425 1HB ARG 54 HB2 ARG 54 -4.084 -2.579 -12.489 426 2HB ARG 54 HB1 ARG 54 -5.104 -3.856 -11.824 427 1HG ARG 54 HG2 ARG 54 -6.193 -3.931 -13.791 428 2HG ARG 54 HG1 ARG 54 -6.793 -2.305 -13.466 429 1HD ARG 54 HD2 ARG 54 -5.676 -2.129 -15.571 430 2HD ARG 54 HD1 ARG 54 -4.507 -1.492 -14.398 431 HE ARG 54 HE ARG 54 -3.767 -4.052 -14.344 432 1HH1 ARG 54 HH2 ARG 54 -3.378 -1.706 -16.627 433 2HH1 ARG 54 HH2 ARG 54 -3.071 -2.765 -17.962 434 1HH2 ARG 54 HH1 ARG 54 -3.986 -5.634 -16.232 435 2HH2 ARG 54 HH1 ARG 54 -3.417 -4.995 -17.739 436 H LYS 55 HN LYS 55 -5.875 -3.226 -9.150 437 HA LYS 55 HA LYS 55 -8.543 -4.312 -9.508 438 1HB LYS 55 HB2 LYS 55 -6.432 -4.233 -7.367 439 2HB LYS 55 HB1 LYS 55 -8.032 -4.876 -6.992 440 1HG LYS 55 HG2 LYS 55 -7.761 -6.314 -9.109 441 2HG LYS 55 HG1 LYS 55 -6.055 -5.872 -9.045 442 1HD LYS 55 HD2 LYS 55 -7.573 -7.146 -6.752 443 2HD LYS 55 HD1 LYS 55 -6.549 -8.032 -7.884 444 1HE LYS 55 HE2 LYS 55 -4.686 -6.359 -7.224 445 2HE LYS 55 HE1 LYS 55 -5.725 -5.965 -5.839 446 1HZ LYS 55 HZ1 LYS 55 -4.703 -8.645 -6.612 447 2HZ LYS 55 HZ2 LYS 55 -5.901 -8.398 -5.432 448 3HZ LYS 55 HZ3 LYS 55 -4.335 -7.778 -5.201 449 H LYS 56 HN LYS 56 -10.416 -3.252 -9.094 450 HA LYS 56 HA LYS 56 -10.670 -0.597 -8.209 451 1HB LYS 56 HB2 LYS 56 -12.274 -2.665 -9.118 452 2HB LYS 56 HB1 LYS 56 -12.902 -2.360 -7.499 453 1HG LYS 56 HG2 LYS 56 -13.794 -0.375 -8.110 454 2HG LYS 56 HG1 LYS 56 -12.325 0.108 -8.959 455 1HD LYS 56 HD2 LYS 56 -12.964 -1.145 -10.923 456 2HD LYS 56 HD1 LYS 56 -14.335 -1.863 -10.077 457 1HE LYS 56 HE2 LYS 56 -14.739 0.872 -9.734 458 2HE LYS 56 HE1 LYS 56 -14.152 0.737 -11.404 459 1HZ LYS 56 HZ1 LYS 56 -16.580 0.357 -11.184 460 2HZ LYS 56 HZ2 LYS 56 -16.249 -1.009 -10.228 461 3HZ LYS 56 HZ3 LYS 56 -15.750 -0.962 -11.852 462 H TRP 57 HN TRP 57 -11.212 -3.566 -6.246 463 HA TRP 57 HA TRP 57 -11.864 -2.350 -3.811 464 1HB TRP 57 HB2 TRP 57 -11.689 -4.506 -3.044 465 2HB TRP 57 HB1 TRP 57 -11.482 -4.874 -4.751 466 HD1 TRP 57 HD1 TRP 57 -9.189 -5.818 -5.519 467 HE1 TRP 57 HE1 TRP 57 -7.012 -6.454 -4.292 468 HE3 TRP 57 HE3 TRP 57 -10.135 -3.782 -0.933 469 HZ2 TRP 57 HZ2 TRP 57 -5.830 -6.138 -1.706 470 HZ3 TRP 57 HZ3 TRP 57 -8.470 -3.966 0.892 471 HH2 TRP 57 HH2 TRP 57 -6.320 -5.140 0.512 472 H VAL 58 HN VAL 58 -8.648 -2.783 -5.242 473 HA VAL 58 HA VAL 58 -7.117 -1.979 -2.942 474 HB VAL 58 HB VAL 58 -6.609 -1.849 -5.927 475 1HG1 VAL 58 HG1 VAL 58 -5.117 -0.688 -3.847 476 2HG1 VAL 58 HG1 VAL 58 -4.571 -0.984 -5.498 477 3HG1 VAL 58 HG1 VAL 58 -4.271 -2.185 -4.241 478 1HG2 VAL 58 HG2 VAL 58 -6.302 -3.942 -3.798 479 2HG2 VAL 58 HG2 VAL 58 -5.159 -3.920 -5.140 480 3HG2 VAL 58 HG2 VAL 58 -6.883 -4.115 -5.454 481 H GLN 59 HN GLN 59 -8.152 -0.138 -5.848 482 HA GLN 59 HA GLN 59 -7.132 2.393 -5.024 483 1HB GLN 59 HB2 GLN 59 -9.529 1.607 -6.721 484 2HB GLN 59 HB1 GLN 59 -8.821 3.223 -6.682 485 1HG GLN 59 HG2 GLN 59 -6.601 1.701 -7.140 486 2HG GLN 59 HG1 GLN 59 -7.831 0.765 -7.991 487 1HE2 GLN 59 HE2 GLN 59 -8.902 1.765 -9.828 488 2HE2 GLN 59 HE2 GLN 59 -8.314 3.193 -10.534 489 H LYS 60 HN LYS 60 -10.022 0.598 -4.186 490 HA LYS 60 HA LYS 60 -11.425 2.802 -2.928 491 1HB LYS 60 HB2 LYS 60 -11.605 -0.217 -2.922 492 2HB LYS 60 HB1 LYS 60 -12.687 0.768 -1.935 493 1HG LYS 60 HG2 LYS 60 -12.334 1.093 -4.929 494 2HG LYS 60 HG1 LYS 60 -13.657 0.203 -4.172 495 1HD LYS 60 HD2 LYS 60 -14.787 2.118 -3.845 496 2HD LYS 60 HD1 LYS 60 -13.441 2.770 -2.910 497 1HE LYS 60 HE2 LYS 60 -12.689 4.034 -4.659 498 2HE LYS 60 HE1 LYS 60 -13.007 2.748 -5.841 499 1HZ LYS 60 HZ1 LYS 60 -15.387 3.185 -5.593 500 2HZ LYS 60 HZ2 LYS 60 -14.563 4.560 -6.155 501 3HZ LYS 60 HZ3 LYS 60 -15.051 4.464 -4.531 502 H TYR 61 HN TYR 61 -9.209 0.242 -1.855 503 HA TYR 61 HA TYR 61 -9.424 0.907 0.979 504 1HB TYR 61 HB2 TYR 61 -8.009 -0.950 -0.816 505 2HB TYR 61 HB1 TYR 61 -7.049 -0.454 0.577 506 HD1 TYR 61 HD1 TYR 61 -10.516 -1.598 -0.281 507 HD2 TYR 61 HD2 TYR 61 -7.332 -1.583 2.602 508 HE1 TYR 61 HE1 TYR 61 -11.813 -3.144 1.160 509 HE2 TYR 61 HE2 TYR 61 -8.629 -3.129 4.043 510 HH TYR 61 HH TYR 61 -10.711 -4.988 3.333 511 H ILE 62 HN ILE 62 -7.429 1.899 -1.733 512 HA ILE 62 HA ILE 62 -5.370 3.223 -0.170 513 HB ILE 62 HB ILE 62 -6.314 3.422 -3.049 514 1HG1 ILE 62 HG1 ILE 62 -3.819 2.079 -2.011 515 2HG1 ILE 62 HG1 ILE 62 -5.362 1.225 -2.042 516 1HG2 ILE 62 HG2 ILE 62 -4.756 5.007 -3.435 517 2HG2 ILE 62 HG2 ILE 62 -3.535 4.123 -2.519 518 3HG2 ILE 62 HG2 ILE 62 -4.651 5.203 -1.686 519 1HD1 ILE 62 HD1 ILE 62 -3.837 0.977 -4.110 520 2HD1 ILE 62 HD1 ILE 62 -4.302 2.636 -4.489 521 3HD1 ILE 62 HD1 ILE 62 -5.530 1.373 -4.397 522 H SER 63 HN SER 63 -8.389 4.244 -1.753 523 HA SER 63 HA SER 63 -8.017 7.070 -1.154 524 1HB SER 63 HB2 SER 63 -9.996 5.257 -2.400 525 2HB SER 63 HB1 SER 63 -10.678 6.707 -1.672 526 HG SER 63 HG SER 63 -8.578 6.560 -3.582 527 H LEU 64 HN LEU 64 -9.381 4.303 0.503 528 HA LEU 64 HA LEU 64 -10.866 5.947 2.447 529 1HB LEU 64 HB2 LEU 64 -10.486 3.086 1.731 530 2HB LEU 64 HB1 LEU 64 -10.880 3.414 3.420 531 HG LEU 64 HG LEU 64 -12.476 4.886 1.391 532 1HD1 LEU 64 HD1 LEU 64 -12.987 3.009 0.227 533 2HD1 LEU 64 HD1 LEU 64 -13.903 2.532 1.657 534 3HD1 LEU 64 HD1 LEU 64 -12.250 1.959 1.437 535 1HD2 LEU 64 HD2 LEU 64 -12.971 3.485 4.029 536 2HD2 LEU 64 HD2 LEU 64 -14.279 4.156 3.055 537 3HD2 LEU 64 HD2 LEU 64 -13.025 5.216 3.696 538 H LEU 65 HN LEU 65 -8.017 3.753 2.520 539 HA LEU 65 HA LEU 65 -7.316 4.037 5.231 540 1HB LEU 65 HB2 LEU 65 -5.989 3.395 2.667 541 2HB LEU 65 HB1 LEU 65 -4.900 3.931 3.944 542 HG LEU 65 HG LEU 65 -6.919 1.678 4.180 543 1HD1 LEU 65 HD1 LEU 65 -5.246 0.227 3.666 544 2HD1 LEU 65 HD1 LEU 65 -4.055 1.142 4.589 545 3HD1 LEU 65 HD1 LEU 65 -4.455 1.627 2.943 546 1HD2 LEU 65 HD2 LEU 65 -4.873 1.794 6.218 547 2HD2 LEU 65 HD2 LEU 65 -6.626 1.808 6.410 548 3HD2 LEU 65 HD2 LEU 65 -5.753 3.320 6.161 549 H LYS 66 HN LYS 66 -6.521 6.162 2.494 550 HA LYS 66 HA LYS 66 -6.372 8.523 4.150 551 1HB LYS 66 HB2 LYS 66 -4.085 6.773 4.024 552 2HB LYS 66 HB1 LYS 66 -3.678 8.314 3.268 553 1HG LYS 66 HG2 LYS 66 -5.087 8.197 5.935 554 2HG LYS 66 HG1 LYS 66 -3.328 8.123 5.819 555 1HD LYS 66 HD2 LYS 66 -3.439 10.245 4.431 556 2HD LYS 66 HD1 LYS 66 -5.142 10.356 4.878 557 1HE LYS 66 HE2 LYS 66 -4.035 9.961 7.333 558 2HE LYS 66 HE1 LYS 66 -2.731 10.856 6.530 559 1HZ LYS 66 HZ1 LYS 66 -4.628 12.200 7.582 560 2HZ LYS 66 HZ2 LYS 66 -5.550 11.693 6.247 561 3HZ LYS 66 HZ3 LYS 66 -4.139 12.612 6.011 562 H THR 67 HN THR 67 -4.531 10.020 2.626 563 HA THR 67 HA THR 67 -5.441 9.707 -0.191 564 HB THR 67 HB THR 67 -5.407 12.379 1.197 565 HG1 THR 67 HG1 THR 67 -6.898 11.562 2.439 566 1HG2 THR 67 HG2 THR 67 -5.640 12.032 -1.337 567 2HG2 THR 67 HG2 THR 67 -6.866 13.031 -0.557 568 3HG2 THR 67 HG2 THR 67 -7.231 11.359 -0.982 569 HA PRO 68 HA PRO 68 -1.121 10.618 -0.717 570 1HB PRO 68 HB2 PRO 68 -1.089 10.761 -3.446 571 2HB PRO 68 HB1 PRO 68 -1.184 9.228 -2.558 572 1HG PRO 68 HG2 PRO 68 -3.318 10.737 -3.956 573 2HG PRO 68 HG1 PRO 68 -3.099 8.993 -3.773 574 1HD PRO 68 HD2 PRO 68 -4.874 10.527 -2.315 575 2HD PRO 68 HD1 PRO 68 -4.259 8.935 -1.824 576 H LYS 69 HN LYS 69 -3.199 12.434 -3.026 577 HA LYS 69 HA LYS 69 -1.465 14.732 -3.100 578 1HB LYS 69 HB2 LYS 69 -3.351 15.708 -4.341 579 2HB LYS 69 HB1 LYS 69 -3.086 14.040 -4.849 580 1HG LYS 69 HG2 LYS 69 -4.915 13.259 -3.469 581 2HG LYS 69 HG1 LYS 69 -5.108 14.855 -2.744 582 1HD LYS 69 HD2 LYS 69 -5.652 15.775 -4.999 583 2HD LYS 69 HD1 LYS 69 -5.567 14.139 -5.654 584 1HE LYS 69 HE2 LYS 69 -7.611 13.575 -4.810 585 2HE LYS 69 HE1 LYS 69 -7.298 14.400 -3.269 586 1HZ LYS 69 HZ1 LYS 69 -7.717 15.879 -5.801 587 2HZ LYS 69 HZ2 LYS 69 -7.763 16.482 -4.214 588 3HZ LYS 69 HZ3 LYS 69 -9.007 15.471 -4.777 589 H GLN 70 HN GLN 70 -2.099 16.924 -2.325 590 HA GLN 70 HA GLN 70 -4.122 17.312 -0.304 591 1HB GLN 70 HB2 GLN 70 -2.501 17.467 1.622 592 2HB GLN 70 HB1 GLN 70 -2.676 15.834 0.978 593 1HG GLN 70 HG2 GLN 70 -0.536 15.772 0.209 594 2HG GLN 70 HG1 GLN 70 -0.579 17.451 -0.328 595 1HE2 GLN 70 HE2 GLN 70 -0.776 19.047 1.739 596 2HE2 GLN 70 HE2 GLN 70 0.308 18.693 2.996 597 H LEU 71 HN LEU 71 -4.314 19.532 0.154 598 HA LEU 71 HA LEU 71 -2.718 21.361 -1.489 599 1HB LEU 71 HB2 LEU 71 -5.125 21.438 0.288 600 2HB LEU 71 HB1 LEU 71 -4.310 22.962 -0.060 601 HG LEU 71 HG LEU 71 -4.462 22.434 -2.500 602 1HD1 LEU 71 HD1 LEU 71 -6.279 20.621 -2.978 603 2HD1 LEU 71 HD1 LEU 71 -5.868 20.021 -1.371 604 3HD1 LEU 71 HD1 LEU 71 -4.632 20.093 -2.629 605 1HD2 LEU 71 HD2 LEU 71 -6.174 23.827 -1.323 606 2HD2 LEU 71 HD2 LEU 71 -7.129 22.369 -1.053 607 3HD2 LEU 71 HD2 LEU 71 -6.845 22.944 -2.695 Start of MODEL 13 1 1H THR 1 HT1 THR 1 8.015 16.332 -1.312 2 2H THR 1 HT2 THR 1 8.491 15.181 -2.467 3 3H THR 1 HT3 THR 1 6.857 15.625 -2.330 4 HA THR 1 HA THR 1 7.575 16.805 -4.201 5 HB THR 1 HB THR 1 7.957 18.619 -1.800 6 HG1 THR 1 HG1 THR 1 5.829 18.530 -1.513 7 1HG2 THR 1 HG2 THR 1 7.695 20.328 -3.249 8 2HG2 THR 1 HG2 THR 1 6.318 19.546 -4.028 9 3HG2 THR 1 HG2 THR 1 7.961 19.150 -4.534 10 H ARG 2 HN ARG 2 9.983 16.648 -1.646 11 HA ARG 2 HA ARG 2 12.054 17.557 -3.621 12 1HB ARG 2 HB2 ARG 2 11.326 19.002 -1.530 13 2HB ARG 2 HB1 ARG 2 12.345 17.866 -0.645 14 1HG ARG 2 HG2 ARG 2 13.901 18.504 -2.844 15 2HG ARG 2 HG1 ARG 2 13.118 20.036 -2.457 16 1HD ARG 2 HD2 ARG 2 13.792 19.486 0.012 17 2HD ARG 2 HD1 ARG 2 14.954 18.375 -0.740 18 HE ARG 2 HE ARG 2 15.508 20.517 -2.195 19 1HH1 ARG 2 HH1 ARG 2 16.904 20.031 0.504 20 2HH1 ARG 2 HH1 ARG 2 16.784 21.607 1.213 21 1HH2 ARG 2 HH2 ARG 2 14.370 22.718 -1.015 22 2HH2 ARG 2 HH2 ARG 2 15.349 23.128 0.354 23 H GLY 3 HN GLY 3 11.312 15.474 -0.832 24 1HA GLY 3 HA2 GLY 3 12.906 13.307 -1.838 25 2HA GLY 3 HA1 GLY 3 13.785 14.153 -0.563 26 H SER 4 HN SER 4 10.280 13.587 -0.819 27 HA SER 4 HA SER 4 10.404 12.274 1.865 28 1HB SER 4 HB2 SER 4 8.647 14.140 0.460 29 2HB SER 4 HB1 SER 4 7.753 12.807 1.185 30 HG SER 4 HG SER 4 8.303 13.483 3.121 31 H ASP 5 HN ASP 5 11.211 10.445 0.115 32 HA ASP 5 HA ASP 5 8.816 8.729 -0.327 33 1HB ASP 5 HB2 ASP 5 11.034 9.433 -2.268 34 2HB ASP 5 HB1 ASP 5 9.908 8.102 -2.534 35 H ILE 6 HN ILE 6 9.505 7.471 1.521 36 HA ILE 6 HA ILE 6 12.116 6.036 1.171 37 HB ILE 6 HB ILE 6 10.413 6.580 3.626 38 1HG1 ILE 6 HG1 ILE 6 13.086 7.744 2.778 39 2HG1 ILE 6 HG1 ILE 6 11.541 8.581 2.635 40 1HG2 ILE 6 HG2 ILE 6 11.569 4.670 4.238 41 2HG2 ILE 6 HG2 ILE 6 12.773 5.892 4.644 42 3HG2 ILE 6 HG2 ILE 6 12.903 4.996 3.131 43 1HD1 ILE 6 HD1 ILE 6 13.097 8.896 4.782 44 2HD1 ILE 6 HD1 ILE 6 12.255 7.436 5.300 45 3HD1 ILE 6 HD1 ILE 6 11.339 8.892 4.914 46 H SER 7 HN SER 7 9.684 5.226 -0.207 47 HA SER 7 HA SER 7 8.746 2.851 1.307 48 1HB SER 7 HB2 SER 7 6.929 2.887 -0.230 49 2HB SER 7 HB1 SER 7 7.277 4.585 0.082 50 HG SER 7 HG SER 7 7.154 4.324 -2.117 51 H LYS 8 HN LYS 8 11.440 2.675 0.466 52 HA LYS 8 HA LYS 8 11.824 1.483 -2.106 53 1HB LYS 8 HB2 LYS 8 13.256 1.381 0.554 54 2HB LYS 8 HB1 LYS 8 13.889 0.553 -0.869 55 1HG LYS 8 HG2 LYS 8 13.077 3.340 -1.368 56 2HG LYS 8 HG1 LYS 8 14.416 3.172 -0.231 57 1HD LYS 8 HD2 LYS 8 14.688 1.394 -2.535 58 2HD LYS 8 HD1 LYS 8 14.624 3.094 -3.002 59 1HE LYS 8 HE2 LYS 8 16.296 3.147 -0.793 60 2HE LYS 8 HE1 LYS 8 16.757 1.637 -1.605 61 1HZ LYS 8 HZ1 LYS 8 17.856 3.716 -2.476 62 2HZ LYS 8 HZ2 LYS 8 16.333 4.179 -3.071 63 3HZ LYS 8 HZ3 LYS 8 17.075 2.759 -3.636 64 H THR 9 HN THR 9 9.959 0.013 -2.253 65 HA THR 9 HA THR 9 10.644 -2.689 -1.327 66 HB THR 9 HB THR 9 8.071 -1.352 -0.453 67 HG1 THR 9 HG1 THR 9 9.066 -1.267 1.581 68 1HG2 THR 9 HG2 THR 9 9.404 -3.911 0.456 69 2HG2 THR 9 HG2 THR 9 8.084 -3.837 -0.713 70 3HG2 THR 9 HG2 THR 9 7.820 -3.312 0.951 71 H CYS 10 HN CYS 10 10.599 -3.138 -3.633 72 HA CYS 10 HA CYS 10 8.520 -2.467 -5.437 73 1HB CYS 10 HB2 CYS 10 10.285 -4.933 -5.271 74 2HB CYS 10 HB1 CYS 10 9.435 -4.386 -6.716 75 H CYS 11 HN CYS 11 7.145 -4.427 -6.449 76 HA CYS 11 HA CYS 11 5.891 -5.979 -4.215 77 1HB CYS 11 HB2 CYS 11 4.658 -4.133 -6.265 78 2HB CYS 11 HB1 CYS 11 3.700 -5.363 -5.441 79 H PHE 12 HN PHE 12 5.486 -8.095 -4.778 80 HA PHE 12 HA PHE 12 5.434 -8.810 -7.674 81 1HB PHE 12 HB2 PHE 12 6.869 -10.779 -7.039 82 2HB PHE 12 HB1 PHE 12 7.675 -9.225 -6.827 83 HD1 PHE 12 HD1 PHE 12 8.031 -8.279 -4.584 84 HD2 PHE 12 HD2 PHE 12 6.204 -12.128 -5.126 85 HE1 PHE 12 HE1 PHE 12 8.395 -8.788 -2.186 86 HE2 PHE 12 HE2 PHE 12 6.568 -12.638 -2.726 87 HZ PHE 12 HZ PHE 12 7.664 -10.968 -1.256 88 H GLN 13 HN GLN 13 4.771 -9.870 -4.333 89 HA GLN 13 HA GLN 13 2.802 -11.851 -5.327 90 1HB GLN 13 HB2 GLN 13 4.513 -12.398 -3.584 91 2HB GLN 13 HB1 GLN 13 3.774 -11.192 -2.530 92 1HG GLN 13 HG2 GLN 13 2.123 -12.608 -1.932 93 2HG GLN 13 HG1 GLN 13 1.782 -13.015 -3.614 94 1HE2 GLN 13 HE2 GLN 13 2.622 -14.994 -4.430 95 2HE2 GLN 13 HE2 GLN 13 3.566 -16.061 -3.505 96 H TYR 14 HN TYR 14 0.858 -10.836 -5.809 97 HA TYR 14 HA TYR 14 -0.096 -8.578 -4.171 98 1HB TYR 14 HB2 TYR 14 -1.257 -10.054 -6.555 99 2HB TYR 14 HB1 TYR 14 -1.864 -8.532 -5.903 100 HD1 TYR 14 HD1 TYR 14 -0.304 -9.565 -8.642 101 HD2 TYR 14 HD2 TYR 14 0.569 -7.044 -5.275 102 HE1 TYR 14 HE1 TYR 14 1.355 -8.321 -10.003 103 HE2 TYR 14 HE2 TYR 14 2.227 -5.801 -6.636 104 HH TYR 14 HH TYR 14 3.171 -6.889 -9.828 105 H SER 15 HN SER 15 -2.088 -8.654 -2.982 106 HA SER 15 HA SER 15 -2.911 -11.400 -2.165 107 1HB SER 15 HB2 SER 15 -3.804 -10.061 -0.169 108 2HB SER 15 HB1 SER 15 -2.053 -10.093 -0.357 109 HG SER 15 HG SER 15 -3.773 -8.065 -1.360 110 H HIS 16 HN HIS 16 -5.345 -11.337 -1.365 111 HA HIS 16 HA HIS 16 -7.085 -9.553 -2.950 112 1HB HIS 16 HB2 HIS 16 -8.133 -11.533 -4.087 113 2HB HIS 16 HB1 HIS 16 -6.455 -11.275 -4.559 114 HD1 HIS 16 HD1 HIS 16 -4.660 -12.763 -3.095 115 HD2 HIS 16 HD2 HIS 16 -8.613 -14.084 -3.125 116 HE1 HIS 16 HE1 HIS 16 -4.613 -15.178 -2.336 117 H LYS 17 HN LYS 17 -7.663 -9.079 -0.649 118 HA LYS 17 HA LYS 17 -10.026 -10.516 0.189 119 1HB LYS 17 HB2 LYS 17 -7.368 -11.357 1.124 120 2HB LYS 17 HB1 LYS 17 -8.498 -11.034 2.440 121 1HG LYS 17 HG2 LYS 17 -10.102 -12.428 0.733 122 2HG LYS 17 HG1 LYS 17 -8.540 -13.179 0.404 123 1HD LYS 17 HD2 LYS 17 -9.138 -14.462 2.213 124 2HD LYS 17 HD1 LYS 17 -8.414 -13.114 3.090 125 1HE LYS 17 HE2 LYS 17 -10.407 -12.585 4.027 126 2HE LYS 17 HE1 LYS 17 -11.195 -12.548 2.436 127 1HZ LYS 17 HZ1 LYS 17 -10.721 -14.875 4.200 128 2HZ LYS 17 HZ2 LYS 17 -10.990 -15.073 2.534 129 3HZ LYS 17 HZ3 LYS 17 -12.181 -14.355 3.510 130 HA PRO 18 HA PRO 18 -10.357 -6.623 2.253 131 1HB PRO 18 HB2 PRO 18 -12.470 -7.163 3.905 132 2HB PRO 18 HB1 PRO 18 -12.652 -6.904 2.158 133 1HG PRO 18 HG2 PRO 18 -12.626 -9.441 3.701 134 2HG PRO 18 HG1 PRO 18 -13.581 -8.991 2.281 135 1HD PRO 18 HD2 PRO 18 -11.353 -10.590 2.194 136 2HD PRO 18 HD1 PRO 18 -11.946 -9.627 0.823 137 H LEU 19 HN LEU 19 -8.568 -6.362 3.605 138 HA LEU 19 HA LEU 19 -7.969 -8.055 5.867 139 1HB LEU 19 HB2 LEU 19 -6.724 -6.127 4.330 140 2HB LEU 19 HB1 LEU 19 -6.951 -5.291 5.866 141 HG LEU 19 HG LEU 19 -6.044 -8.022 6.281 142 1HD1 LEU 19 HD1 LEU 19 -4.863 -7.923 4.230 143 2HD1 LEU 19 HD1 LEU 19 -3.675 -7.431 5.437 144 3HD1 LEU 19 HD1 LEU 19 -4.475 -6.216 4.439 145 1HD2 LEU 19 HD2 LEU 19 -5.149 -6.962 8.061 146 2HD2 LEU 19 HD2 LEU 19 -5.823 -5.456 7.440 147 3HD2 LEU 19 HD2 LEU 19 -4.180 -5.929 7.010 148 HA PRO 20 HA PRO 20 -10.640 -6.249 8.878 149 1HB PRO 20 HB2 PRO 20 -9.185 -6.707 11.155 150 2HB PRO 20 HB1 PRO 20 -10.064 -7.989 10.296 151 1HG PRO 20 HG2 PRO 20 -7.164 -7.304 10.222 152 2HG PRO 20 HG1 PRO 20 -7.947 -8.892 10.246 153 1HD PRO 20 HD2 PRO 20 -6.943 -7.774 7.986 154 2HD PRO 20 HD1 PRO 20 -8.332 -8.883 7.980 155 H TRP 21 HN TRP 21 -10.737 -4.023 8.766 156 HA TRP 21 HA TRP 21 -8.678 -2.159 8.664 157 1HB TRP 21 HB2 TRP 21 -11.429 -2.028 9.930 158 2HB TRP 21 HB1 TRP 21 -10.442 -0.602 9.602 159 HD1 TRP 21 HD1 TRP 21 -12.526 -3.266 7.906 160 HE1 TRP 21 HE1 TRP 21 -12.782 -2.683 5.405 161 HE3 TRP 21 HE3 TRP 21 -9.248 0.634 7.572 162 HZ2 TRP 21 HZ2 TRP 21 -11.726 -0.811 3.517 163 HZ3 TRP 21 HZ3 TRP 21 -8.895 1.798 5.414 164 HH2 TRP 21 HH2 TRP 21 -10.129 1.082 3.388 165 H THR 22 HN THR 22 -9.851 -3.881 11.488 166 HA THR 22 HA THR 22 -8.867 -2.223 13.570 167 HB THR 22 HB THR 22 -8.561 -4.622 14.628 168 HG1 THR 22 HG1 THR 22 -8.494 -5.827 12.798 169 1HG2 THR 22 HG2 THR 22 -11.194 -3.551 13.580 170 2HG2 THR 22 HG2 THR 22 -10.454 -3.189 15.140 171 3HG2 THR 22 HG2 THR 22 -11.055 -4.813 14.805 172 H TRP 23 HN TRP 23 -7.228 -4.438 11.382 173 HA TRP 23 HA TRP 23 -4.628 -3.916 12.744 174 1HB TRP 23 HB2 TRP 23 -5.910 -6.129 11.276 175 2HB TRP 23 HB1 TRP 23 -4.231 -5.850 10.817 176 HD1 TRP 23 HD1 TRP 23 -5.206 -5.016 14.377 177 HE1 TRP 23 HE1 TRP 23 -4.152 -6.739 15.978 178 HE3 TRP 23 HE3 TRP 23 -3.466 -8.421 10.991 179 HZ2 TRP 23 HZ2 TRP 23 -2.757 -9.232 15.843 180 HZ3 TRP 23 HZ3 TRP 23 -2.281 -10.458 11.754 181 HH2 TRP 23 HH2 TRP 23 -1.924 -10.869 14.173 182 H VAL 24 HN VAL 24 -6.448 -2.690 10.217 183 HA VAL 24 HA VAL 24 -4.205 -2.360 8.327 184 HB VAL 24 HB VAL 24 -7.018 -1.222 8.301 185 1HG1 VAL 24 HG1 VAL 24 -5.458 -1.833 5.837 186 2HG1 VAL 24 HG1 VAL 24 -4.939 -0.436 6.780 187 3HG1 VAL 24 HG1 VAL 24 -6.586 -0.515 6.156 188 1HG2 VAL 24 HG2 VAL 24 -6.146 -3.587 6.670 189 2HG2 VAL 24 HG2 VAL 24 -7.762 -3.150 7.222 190 3HG2 VAL 24 HG2 VAL 24 -6.603 -3.843 8.354 191 H ARG 25 HN ARG 25 -3.102 -0.385 8.037 192 HA ARG 25 HA ARG 25 -3.828 1.800 9.964 193 1HB ARG 25 HB2 ARG 25 -1.793 0.581 10.579 194 2HB ARG 25 HB1 ARG 25 -1.131 0.836 8.964 195 1HG ARG 25 HG2 ARG 25 -0.669 3.060 9.350 196 2HG ARG 25 HG1 ARG 25 -2.017 3.253 10.472 197 1HD ARG 25 HD2 ARG 25 -0.767 2.603 12.287 198 2HD ARG 25 HD1 ARG 25 0.157 1.412 11.349 199 HE ARG 25 HE ARG 25 1.147 3.608 10.237 200 1HH1 ARG 25 HH1 ARG 25 1.398 2.383 13.321 201 2HH1 ARG 25 HH1 ARG 25 2.026 3.824 14.048 202 1HH2 ARG 25 HH2 ARG 25 1.464 5.798 11.255 203 2HH2 ARG 25 HH2 ARG 25 2.061 5.757 12.880 204 H SER 26 HN SER 26 -2.304 1.098 6.798 205 HA SER 26 HA SER 26 -3.602 3.335 5.507 206 1HB SER 26 HB2 SER 26 -1.658 4.812 5.343 207 2HB SER 26 HB1 SER 26 -1.982 4.479 7.041 208 HG SER 26 HG SER 26 0.002 3.798 7.083 209 H TYR 27 HN TYR 27 -1.432 3.875 3.650 210 HA TYR 27 HA TYR 27 -0.673 1.231 2.557 211 1HB TYR 27 HB2 TYR 27 -1.920 1.540 0.522 212 2HB TYR 27 HB1 TYR 27 -3.038 1.858 1.844 213 HD1 TYR 27 HD1 TYR 27 -3.365 4.314 2.576 214 HD2 TYR 27 HD2 TYR 27 -1.516 3.167 -1.126 215 HE1 TYR 27 HE1 TYR 27 -3.783 6.582 1.664 216 HE2 TYR 27 HE2 TYR 27 -1.933 5.432 -2.039 217 HH TYR 27 HH TYR 27 -2.385 7.641 -1.334 218 H GLU 28 HN GLU 28 0.196 1.981 0.077 219 HA GLU 28 HA GLU 28 1.569 4.500 -0.082 220 1HB GLU 28 HB2 GLU 28 3.860 3.618 0.429 221 2HB GLU 28 HB1 GLU 28 2.796 3.594 1.835 222 1HG GLU 28 HG2 GLU 28 2.232 1.159 1.038 223 2HG GLU 28 HG1 GLU 28 3.750 1.294 0.150 224 H PHE 29 HN PHE 29 2.364 4.726 -2.182 225 HA PHE 29 HA PHE 29 1.856 2.550 -4.069 226 1HB PHE 29 HB2 PHE 29 2.459 5.429 -4.045 227 2HB PHE 29 HB1 PHE 29 3.181 4.573 -5.407 228 HD1 PHE 29 HD1 PHE 29 1.854 3.824 -7.228 229 HD2 PHE 29 HD2 PHE 29 -0.031 5.156 -3.605 230 HE1 PHE 29 HE1 PHE 29 -0.356 3.746 -8.349 231 HE2 PHE 29 HE2 PHE 29 -2.241 5.076 -4.726 232 HZ PHE 29 HZ PHE 29 -2.404 4.372 -7.098 233 H THR 30 HN THR 30 3.477 1.495 -5.346 234 HA THR 30 HA THR 30 5.877 0.720 -4.058 235 HB THR 30 HB THR 30 6.424 0.199 -6.624 236 HG1 THR 30 HG1 THR 30 4.942 1.129 -7.788 237 1HG2 THR 30 HG2 THR 30 4.401 -1.001 -4.763 238 2HG2 THR 30 HG2 THR 30 5.958 -1.645 -5.283 239 3HG2 THR 30 HG2 THR 30 4.583 -1.667 -6.386 240 H SER 31 HN SER 31 8.130 1.194 -4.823 241 HA SER 31 HA SER 31 8.588 4.071 -5.015 242 1HB SER 31 HB2 SER 31 10.890 3.410 -4.732 243 2HB SER 31 HB1 SER 31 9.924 2.335 -3.725 244 HG SER 31 HG SER 31 11.627 1.538 -5.404 245 H ASN 32 HN ASN 32 10.022 4.976 -6.759 246 HA ASN 32 HA ASN 32 9.128 4.034 -9.411 247 1HB ASN 32 HB2 ASN 32 10.545 6.425 -8.251 248 2HB ASN 32 HB1 ASN 32 10.533 6.168 -9.997 249 1HD2 ASN 32 HD2 ASN 32 8.859 7.327 -10.950 250 2HD2 ASN 32 HD2 ASN 32 7.321 7.564 -10.270 251 H SER 33 HN SER 33 10.732 2.061 -8.435 252 HA SER 33 HA SER 33 13.025 2.125 -10.264 253 1HB SER 33 HB2 SER 33 13.206 2.560 -7.327 254 2HB SER 33 HB1 SER 33 14.405 1.479 -8.029 255 HG SER 33 HG SER 33 13.784 4.085 -8.974 256 H CYS 34 HN CYS 34 10.630 0.463 -9.871 257 HA CYS 34 HA CYS 34 11.922 -2.143 -9.121 258 1HB CYS 34 HB2 CYS 34 9.070 -1.128 -8.913 259 2HB CYS 34 HB1 CYS 34 9.543 -2.796 -8.581 260 H SER 35 HN SER 35 10.331 -3.957 -10.225 261 HA SER 35 HA SER 35 10.663 -3.554 -13.120 262 1HB SER 35 HB2 SER 35 11.112 -5.643 -11.617 263 2HB SER 35 HB1 SER 35 9.375 -5.909 -11.745 264 HG SER 35 HG SER 35 11.091 -6.721 -13.434 265 H GLN 36 HN GLN 36 8.004 -3.884 -10.789 266 HA GLN 36 HA GLN 36 6.120 -2.978 -12.936 267 1HB GLN 36 HB2 GLN 36 6.278 -5.506 -11.554 268 2HB GLN 36 HB1 GLN 36 4.762 -4.707 -11.139 269 1HG GLN 36 HG2 GLN 36 4.270 -5.928 -13.114 270 2HG GLN 36 HG1 GLN 36 4.501 -4.268 -13.663 271 1HE2 GLN 36 HE2 GLN 36 6.743 -7.010 -12.911 272 2HE2 GLN 36 HE2 GLN 36 7.618 -6.876 -14.360 273 H ARG 37 HN ARG 37 4.566 -1.497 -12.200 274 HA ARG 37 HA ARG 37 5.035 -0.291 -9.565 275 1HB ARG 37 HB2 ARG 37 3.550 0.292 -12.084 276 2HB ARG 37 HB1 ARG 37 2.970 1.074 -10.614 277 1HG ARG 37 HG2 ARG 37 5.502 1.649 -10.243 278 2HG ARG 37 HG1 ARG 37 5.632 1.356 -11.978 279 1HD ARG 37 HD2 ARG 37 3.638 2.967 -12.240 280 2HD ARG 37 HD1 ARG 37 3.962 3.444 -10.561 281 HE ARG 37 HE ARG 37 6.129 4.268 -11.246 282 1HH1 ARG 37 HH1 ARG 37 4.493 5.484 -13.420 283 2HH1 ARG 37 HH1 ARG 37 5.352 5.001 -14.846 284 1HH2 ARG 37 HH2 ARG 37 7.151 2.509 -13.240 285 2HH2 ARG 37 HH2 ARG 37 6.857 3.318 -14.743 286 H ALA 38 HN ALA 38 3.647 -0.442 -7.806 287 HA ALA 38 HA ALA 38 0.950 -1.571 -8.073 288 1HB ALA 38 HB1 ALA 38 1.696 -3.698 -7.830 289 2HB ALA 38 HB2 ALA 38 2.087 -3.262 -6.167 290 3HB ALA 38 HB3 ALA 38 3.322 -3.150 -7.421 291 H VAL 39 HN VAL 39 -0.266 -1.330 -6.088 292 HA VAL 39 HA VAL 39 0.840 0.740 -4.275 293 HB VAL 39 HB VAL 39 -1.901 -0.550 -4.476 294 1HG1 VAL 39 HG1 VAL 39 -0.708 1.580 -2.800 295 2HG1 VAL 39 HG1 VAL 39 -2.102 0.546 -2.483 296 3HG1 VAL 39 HG1 VAL 39 -2.274 1.968 -3.512 297 1HG2 VAL 39 HG2 VAL 39 -0.535 1.598 -6.011 298 2HG2 VAL 39 HG2 VAL 39 -2.193 1.935 -5.516 299 3HG2 VAL 39 HG2 VAL 39 -1.839 0.518 -6.506 300 H ILE 40 HN ILE 40 0.567 0.427 -1.886 301 HA ILE 40 HA ILE 40 0.572 -2.452 -1.078 302 HB ILE 40 HB ILE 40 2.522 -0.228 -0.420 303 1HG1 ILE 40 HG1 ILE 40 3.788 -2.630 -1.204 304 2HG1 ILE 40 HG1 ILE 40 2.445 -2.399 -2.325 305 1HG2 ILE 40 HG2 ILE 40 2.823 -1.238 1.572 306 2HG2 ILE 40 HG2 ILE 40 3.450 -2.626 0.684 307 3HG2 ILE 40 HG2 ILE 40 1.744 -2.562 1.130 308 1HD1 ILE 40 HD1 ILE 40 3.299 -0.412 -3.153 309 2HD1 ILE 40 HD1 ILE 40 4.803 -1.245 -2.758 310 3HD1 ILE 40 HD1 ILE 40 4.151 -0.033 -1.656 311 H PHE 41 HN PHE 41 -0.684 -2.829 0.696 312 HA PHE 41 HA PHE 41 -1.789 -0.502 2.211 313 1HB PHE 41 HB2 PHE 41 -2.630 -3.409 1.893 314 2HB PHE 41 HB1 PHE 41 -3.486 -2.235 2.890 315 HD1 PHE 41 HD1 PHE 41 -3.836 0.133 1.521 316 HD2 PHE 41 HD2 PHE 41 -3.582 -3.800 -0.183 317 HE1 PHE 41 HE1 PHE 41 -5.090 0.916 -0.470 318 HE2 PHE 41 HE2 PHE 41 -4.837 -3.019 -2.174 319 HZ PHE 41 HZ PHE 41 -5.592 -0.662 -2.318 320 H THR 42 HN THR 42 -0.946 -0.224 4.289 321 HA THR 42 HA THR 42 0.633 -2.497 5.392 322 HB THR 42 HB THR 42 1.810 -0.383 5.030 323 HG1 THR 42 HG1 THR 42 2.406 -0.013 7.264 324 1HG2 THR 42 HG2 THR 42 0.046 1.212 5.099 325 2HG2 THR 42 HG2 THR 42 1.081 1.584 6.477 326 3HG2 THR 42 HG2 THR 42 -0.432 0.713 6.720 327 H THR 43 HN THR 43 0.436 -2.995 7.660 328 HA THR 43 HA THR 43 -2.334 -2.584 8.669 329 HB THR 43 HB THR 43 -1.628 -4.548 10.125 330 HG1 THR 43 HG1 THR 43 0.393 -5.041 10.096 331 1HG2 THR 43 HG2 THR 43 -2.811 -4.688 7.866 332 2HG2 THR 43 HG2 THR 43 -1.937 -6.134 8.371 333 3HG2 THR 43 HG2 THR 43 -1.231 -5.051 7.172 334 H LYS 44 HN LYS 44 -2.085 -2.985 11.321 335 HA LYS 44 HA LYS 44 -0.911 -0.481 12.276 336 1HB LYS 44 HB2 LYS 44 -2.704 -2.651 13.217 337 2HB LYS 44 HB1 LYS 44 -1.816 -1.786 14.473 338 1HG LYS 44 HG2 LYS 44 -3.382 -0.374 12.301 339 2HG LYS 44 HG1 LYS 44 -4.076 -0.789 13.869 340 1HD LYS 44 HD2 LYS 44 -2.226 0.483 14.972 341 2HD LYS 44 HD1 LYS 44 -1.667 0.984 13.376 342 1HE LYS 44 HE2 LYS 44 -3.051 2.782 13.786 343 2HE LYS 44 HE1 LYS 44 -4.303 1.666 13.202 344 1HZ LYS 44 HZ1 LYS 44 -3.422 1.895 16.031 345 2HZ LYS 44 HZ2 LYS 44 -4.670 0.905 15.441 346 3HZ LYS 44 HZ3 LYS 44 -4.834 2.596 15.406 347 H ARG 45 HN ARG 45 -0.016 -3.848 12.189 348 HA ARG 45 HA ARG 45 1.959 -3.665 14.350 349 1HB ARG 45 HB2 ARG 45 0.758 -5.649 12.550 350 2HB ARG 45 HB1 ARG 45 2.472 -5.937 12.848 351 1HG ARG 45 HG2 ARG 45 1.682 -5.373 15.365 352 2HG ARG 45 HG1 ARG 45 0.178 -6.048 14.736 353 1HD ARG 45 HD2 ARG 45 1.724 -7.960 13.809 354 2HD ARG 45 HD1 ARG 45 2.858 -7.383 15.047 355 HE ARG 45 HE ARG 45 0.294 -8.700 15.561 356 1HH1 ARG 45 HH2 ARG 45 3.198 -8.186 16.943 357 2HH1 ARG 45 HH2 ARG 45 2.623 -7.698 18.502 358 1HH2 ARG 45 HH1 ARG 45 -0.672 -7.359 17.475 359 2HH2 ARG 45 HH1 ARG 45 0.432 -7.231 18.804 360 H GLY 46 HN GLY 46 1.896 -2.865 10.995 361 1HA GLY 46 HA2 GLY 46 3.812 -1.570 10.121 362 2HA GLY 46 HA1 GLY 46 4.874 -2.646 11.028 363 H LYS 47 HN LYS 47 2.493 -4.595 9.787 364 HA LYS 47 HA LYS 47 4.273 -5.728 7.780 365 1HB LYS 47 HB2 LYS 47 2.143 -6.536 9.381 366 2HB LYS 47 HB1 LYS 47 1.460 -6.553 7.755 367 1HG LYS 47 HG2 LYS 47 3.104 -8.075 6.964 368 2HG LYS 47 HG1 LYS 47 4.135 -7.815 8.372 369 1HD LYS 47 HD2 LYS 47 1.973 -8.680 9.667 370 2HD LYS 47 HD1 LYS 47 1.652 -9.461 8.117 371 1HE LYS 47 HE2 LYS 47 4.376 -9.939 8.565 372 2HE LYS 47 HE1 LYS 47 3.613 -10.181 10.149 373 1HZ LYS 47 HZ1 LYS 47 2.879 -11.436 7.566 374 2HZ LYS 47 HZ2 LYS 47 1.837 -11.440 8.908 375 3HZ LYS 47 HZ3 LYS 47 3.350 -12.209 9.000 376 H LYS 48 HN LYS 48 4.313 -5.172 5.625 377 HA LYS 48 HA LYS 48 2.119 -3.410 4.604 378 1HB LYS 48 HB2 LYS 48 4.945 -3.849 3.596 379 2HB LYS 48 HB1 LYS 48 3.824 -2.601 3.054 380 1HG LYS 48 HG2 LYS 48 3.835 -2.191 5.769 381 2HG LYS 48 HG1 LYS 48 5.500 -2.693 5.475 382 1HD LYS 48 HD2 LYS 48 5.253 -0.994 3.426 383 2HD LYS 48 HD1 LYS 48 4.051 -0.273 4.498 384 1HE LYS 48 HE2 LYS 48 6.917 -0.897 5.306 385 2HE LYS 48 HE1 LYS 48 6.312 0.714 4.869 386 1HZ LYS 48 HZ1 LYS 48 4.587 0.450 6.581 387 2HZ LYS 48 HZ2 LYS 48 6.153 0.426 7.243 388 3HZ LYS 48 HZ3 LYS 48 5.285 -1.023 7.051 389 H VAL 49 HN VAL 49 0.829 -4.201 2.988 390 HA VAL 49 HA VAL 49 1.675 -6.753 1.650 391 HB VAL 49 HB VAL 49 -1.071 -5.577 2.193 392 1HG1 VAL 49 HG1 VAL 49 -0.734 -8.445 1.560 393 2HG1 VAL 49 HG1 VAL 49 -0.407 -7.346 0.221 394 3HG1 VAL 49 HG1 VAL 49 -1.976 -7.313 1.026 395 1HG2 VAL 49 HG2 VAL 49 0.766 -7.295 3.736 396 2HG2 VAL 49 HG2 VAL 49 -0.870 -7.936 3.588 397 3HG2 VAL 49 HG2 VAL 49 -0.609 -6.339 4.289 398 H CYS 50 HN CYS 50 1.989 -6.636 -0.543 399 HA CYS 50 HA CYS 50 1.569 -4.111 -1.962 400 1HB CYS 50 HB2 CYS 50 2.706 -6.838 -2.531 401 2HB CYS 50 HB1 CYS 50 2.425 -5.714 -3.861 402 H THR 51 HN THR 51 0.187 -3.855 -3.815 403 HA THR 51 HA THR 51 -1.797 -5.980 -4.409 404 HB THR 51 HB THR 51 -3.465 -3.851 -4.119 405 HG1 THR 51 HG1 THR 51 -2.114 -2.431 -3.214 406 1HG2 THR 51 HG2 THR 51 -3.983 -5.960 -3.151 407 2HG2 THR 51 HG2 THR 51 -3.932 -4.824 -1.803 408 3HG2 THR 51 HG2 THR 51 -2.571 -5.907 -2.096 409 H HIS 52 HN HIS 52 -3.359 -5.009 -6.199 410 HA HIS 52 HA HIS 52 -1.616 -3.669 -8.196 411 1HB HIS 52 HB2 HIS 52 -3.277 -5.887 -8.233 412 2HB HIS 52 HB1 HIS 52 -4.254 -4.650 -9.024 413 HD1 HIS 52 HD1 HIS 52 -1.215 -6.747 -9.474 414 HD2 HIS 52 HD2 HIS 52 -3.068 -3.570 -11.435 415 HE1 HIS 52 HE1 HIS 52 -0.129 -6.583 -11.756 416 HA PRO 53 HA PRO 53 -4.013 0.030 -7.661 417 1HB PRO 53 HB2 PRO 53 -3.198 1.359 -9.907 418 2HB PRO 53 HB1 PRO 53 -2.176 1.181 -8.467 419 1HG PRO 53 HG2 PRO 53 -2.104 -0.317 -11.035 420 2HG PRO 53 HG1 PRO 53 -0.771 0.222 -10.002 421 1HD PRO 53 HD2 PRO 53 -1.709 -2.347 -10.068 422 2HD PRO 53 HD1 PRO 53 -0.891 -1.622 -8.667 423 H ARG 54 HN ARG 54 -4.105 -1.880 -10.620 424 HA ARG 54 HA ARG 54 -6.307 -0.551 -11.904 425 1HB ARG 54 HB2 ARG 54 -4.927 -3.211 -12.027 426 2HB ARG 54 HB1 ARG 54 -6.446 -3.008 -12.900 427 1HG ARG 54 HG2 ARG 54 -4.833 -0.696 -13.381 428 2HG ARG 54 HG1 ARG 54 -3.845 -2.128 -13.677 429 1HD ARG 54 HD2 ARG 54 -6.599 -2.292 -14.755 430 2HD ARG 54 HD1 ARG 54 -5.555 -1.085 -15.533 431 HE ARG 54 HE ARG 54 -3.960 -3.372 -15.228 432 1HH1 ARG 54 HH1 ARG 54 -6.672 -4.689 -15.752 433 2HH1 ARG 54 HH1 ARG 54 -6.619 -4.876 -17.472 434 1HH2 ARG 54 HH2 ARG 54 -3.983 -2.664 -17.899 435 2HH2 ARG 54 HH2 ARG 54 -5.097 -3.731 -18.689 436 H LYS 55 HN LYS 55 -6.195 -3.469 -9.822 437 HA LYS 55 HA LYS 55 -8.894 -4.185 -9.804 438 1HB LYS 55 HB2 LYS 55 -6.587 -4.324 -7.941 439 2HB LYS 55 HB1 LYS 55 -8.177 -4.693 -7.266 440 1HG LYS 55 HG2 LYS 55 -8.547 -6.455 -8.816 441 2HG LYS 55 HG1 LYS 55 -7.223 -5.925 -9.854 442 1HD LYS 55 HD2 LYS 55 -6.166 -6.372 -7.245 443 2HD LYS 55 HD1 LYS 55 -7.132 -7.778 -7.691 444 1HE LYS 55 HE2 LYS 55 -5.320 -6.669 -9.792 445 2HE LYS 55 HE1 LYS 55 -4.568 -7.561 -8.454 446 1HZ LYS 55 HZ1 LYS 55 -5.441 -8.906 -10.436 447 2HZ LYS 55 HZ2 LYS 55 -6.986 -8.590 -9.805 448 3HZ LYS 55 HZ3 LYS 55 -5.844 -9.441 -8.878 449 H LYS 56 HN LYS 56 -10.702 -3.041 -9.267 450 HA LYS 56 HA LYS 56 -10.722 -0.414 -8.197 451 1HB LYS 56 HB2 LYS 56 -12.486 -2.034 -9.401 452 2HB LYS 56 HB1 LYS 56 -13.022 -2.265 -7.736 453 1HG LYS 56 HG2 LYS 56 -12.846 0.379 -7.660 454 2HG LYS 56 HG1 LYS 56 -13.047 0.221 -9.406 455 1HD LYS 56 HD2 LYS 56 -14.895 -1.017 -7.343 456 2HD LYS 56 HD1 LYS 56 -15.223 0.486 -8.209 457 1HE LYS 56 HE2 LYS 56 -15.050 -0.769 -10.373 458 2HE LYS 56 HE1 LYS 56 -14.879 -2.270 -9.441 459 1HZ LYS 56 HZ1 LYS 56 -17.112 -0.342 -9.102 460 2HZ LYS 56 HZ2 LYS 56 -16.958 -1.864 -8.365 461 3HZ LYS 56 HZ3 LYS 56 -17.214 -1.751 -10.041 462 H TRP 57 HN TRP 57 -10.926 -3.566 -6.563 463 HA TRP 57 HA TRP 57 -11.742 -2.664 -3.999 464 1HB TRP 57 HB2 TRP 57 -11.502 -4.887 -3.570 465 2HB TRP 57 HB1 TRP 57 -11.064 -5.036 -5.265 466 HD1 TRP 57 HD1 TRP 57 -8.697 -5.873 -5.795 467 HE1 TRP 57 HE1 TRP 57 -6.599 -6.408 -4.394 468 HE3 TRP 57 HE3 TRP 57 -10.173 -4.044 -1.262 469 HZ2 TRP 57 HZ2 TRP 57 -5.672 -6.100 -1.704 470 HZ3 TRP 57 HZ3 TRP 57 -8.666 -4.176 0.699 471 HH2 TRP 57 HH2 TRP 57 -6.419 -5.201 0.485 472 H VAL 58 HN VAL 58 -8.509 -2.775 -5.482 473 HA VAL 58 HA VAL 58 -7.042 -2.003 -3.121 474 HB VAL 58 HB VAL 58 -6.434 -1.564 -6.060 475 1HG1 VAL 58 HG1 VAL 58 -5.013 -0.450 -4.199 476 2HG1 VAL 58 HG1 VAL 58 -4.165 -1.387 -5.430 477 3HG1 VAL 58 HG1 VAL 58 -4.463 -2.087 -3.839 478 1HG2 VAL 58 HG2 VAL 58 -6.298 -3.975 -4.273 479 2HG2 VAL 58 HG2 VAL 58 -5.101 -3.787 -5.555 480 3HG2 VAL 58 HG2 VAL 58 -6.817 -3.867 -5.955 481 H GLN 59 HN GLN 59 -8.169 -0.120 -5.961 482 HA GLN 59 HA GLN 59 -7.331 2.443 -5.045 483 1HB GLN 59 HB2 GLN 59 -9.706 1.587 -6.740 484 2HB GLN 59 HB1 GLN 59 -9.040 3.220 -6.683 485 1HG GLN 59 HG2 GLN 59 -7.167 0.968 -7.281 486 2HG GLN 59 HG1 GLN 59 -8.273 1.484 -8.556 487 1HE2 GLN 59 HE2 GLN 59 -8.394 4.207 -8.328 488 2HE2 GLN 59 HE2 GLN 59 -6.853 4.906 -8.464 489 H LYS 60 HN LYS 60 -10.037 0.395 -4.199 490 HA LYS 60 HA LYS 60 -11.656 2.426 -2.933 491 1HB LYS 60 HB2 LYS 60 -12.321 0.123 -3.809 492 2HB LYS 60 HB1 LYS 60 -11.549 -0.550 -2.374 493 1HG LYS 60 HG2 LYS 60 -13.179 0.234 -0.958 494 2HG LYS 60 HG1 LYS 60 -13.487 1.668 -1.938 495 1HD LYS 60 HD2 LYS 60 -14.548 0.163 -3.663 496 2HD LYS 60 HD1 LYS 60 -14.403 -1.163 -2.508 497 1HE LYS 60 HE2 LYS 60 -16.164 -0.415 -1.268 498 2HE LYS 60 HE1 LYS 60 -15.631 1.274 -1.378 499 1HZ LYS 60 HZ1 LYS 60 -16.787 -0.232 -3.659 500 2HZ LYS 60 HZ2 LYS 60 -16.457 1.433 -3.584 501 3HZ LYS 60 HZ3 LYS 60 -17.708 0.768 -2.646 502 H TYR 61 HN TYR 61 -9.061 0.256 -1.869 503 HA TYR 61 HA TYR 61 -9.366 1.028 0.954 504 1HB TYR 61 HB2 TYR 61 -7.845 -0.895 -0.703 505 2HB TYR 61 HB1 TYR 61 -7.000 -0.324 0.736 506 HD1 TYR 61 HD1 TYR 61 -7.601 -1.097 2.902 507 HD2 TYR 61 HD2 TYR 61 -10.194 -1.848 -0.441 508 HE1 TYR 61 HE1 TYR 61 -8.988 -2.595 4.311 509 HE2 TYR 61 HE2 TYR 61 -11.578 -3.346 0.968 510 HH TYR 61 HH TYR 61 -10.612 -4.666 3.746 511 H ILE 62 HN ILE 62 -7.207 1.736 -1.766 512 HA ILE 62 HA ILE 62 -5.212 3.203 -0.355 513 HB ILE 62 HB ILE 62 -6.374 3.493 -3.148 514 1HG1 ILE 62 HG1 ILE 62 -3.823 2.115 -2.278 515 2HG1 ILE 62 HG1 ILE 62 -5.362 1.262 -2.402 516 1HG2 ILE 62 HG2 ILE 62 -3.589 4.219 -2.878 517 2HG2 ILE 62 HG2 ILE 62 -4.575 5.193 -1.787 518 3HG2 ILE 62 HG2 ILE 62 -4.925 5.178 -3.516 519 1HD1 ILE 62 HD1 ILE 62 -3.813 1.218 -4.469 520 2HD1 ILE 62 HD1 ILE 62 -4.291 2.901 -4.697 521 3HD1 ILE 62 HD1 ILE 62 -5.509 1.625 -4.734 522 H SER 63 HN SER 63 -8.373 4.165 -1.666 523 HA SER 63 HA SER 63 -8.057 6.982 -0.975 524 1HB SER 63 HB2 SER 63 -10.094 5.144 -2.117 525 2HB SER 63 HB1 SER 63 -10.728 6.576 -1.310 526 HG SER 63 HG SER 63 -8.632 6.664 -3.217 527 H LEU 64 HN LEU 64 -9.759 4.178 0.435 528 HA LEU 64 HA LEU 64 -10.930 5.602 2.643 529 1HB LEU 64 HB2 LEU 64 -10.225 2.724 2.041 530 2HB LEU 64 HB1 LEU 64 -11.016 3.185 3.549 531 HG LEU 64 HG LEU 64 -12.106 4.020 0.857 532 1HD1 LEU 64 HD1 LEU 64 -13.420 2.081 0.727 533 2HD1 LEU 64 HD1 LEU 64 -13.169 1.682 2.427 534 3HD1 LEU 64 HD1 LEU 64 -11.863 1.450 1.264 535 1HD2 LEU 64 HD2 LEU 64 -14.111 4.467 2.084 536 2HD2 LEU 64 HD2 LEU 64 -12.798 5.144 3.049 537 3HD2 LEU 64 HD2 LEU 64 -13.519 3.598 3.501 538 H LEU 65 HN LEU 65 -7.813 3.948 2.195 539 HA LEU 65 HA LEU 65 -7.011 4.292 4.991 540 1HB LEU 65 HB2 LEU 65 -5.816 3.282 2.425 541 2HB LEU 65 HB1 LEU 65 -4.742 3.638 3.773 542 HG LEU 65 HG LEU 65 -7.096 1.723 3.810 543 1HD1 LEU 65 HD1 LEU 65 -4.812 0.383 4.607 544 2HD1 LEU 65 HD1 LEU 65 -4.203 1.456 3.347 545 3HD1 LEU 65 HD1 LEU 65 -5.506 0.324 2.986 546 1HD2 LEU 65 HD2 LEU 65 -5.670 1.293 6.110 547 2HD2 LEU 65 HD2 LEU 65 -7.125 2.284 6.021 548 3HD2 LEU 65 HD2 LEU 65 -5.536 3.042 5.945 549 H LYS 66 HN LYS 66 -7.739 6.807 4.229 550 HA LYS 66 HA LYS 66 -5.842 8.439 2.898 551 1HB LYS 66 HB2 LYS 66 -8.190 8.990 3.649 552 2HB LYS 66 HB1 LYS 66 -7.566 9.150 5.291 553 1HG LYS 66 HG2 LYS 66 -5.801 10.729 4.008 554 2HG LYS 66 HG1 LYS 66 -7.190 10.935 2.941 555 1HD LYS 66 HD2 LYS 66 -7.367 12.641 4.619 556 2HD LYS 66 HD1 LYS 66 -8.571 11.416 5.022 557 1HE LYS 66 HE2 LYS 66 -7.364 10.638 6.863 558 2HE LYS 66 HE1 LYS 66 -5.813 11.200 6.206 559 1HZ LYS 66 HZ1 LYS 66 -6.376 12.782 7.820 560 2HZ LYS 66 HZ2 LYS 66 -8.009 12.819 7.354 561 3HZ LYS 66 HZ3 LYS 66 -6.822 13.507 6.353 562 H THR 67 HN THR 67 -3.887 9.295 3.535 563 HA THR 67 HA THR 67 -3.111 9.636 6.301 564 HB THR 67 HB THR 67 -2.367 7.153 4.780 565 HG1 THR 67 HG1 THR 67 -2.871 6.241 6.693 566 1HG2 THR 67 HG2 THR 67 -0.502 8.788 6.397 567 2HG2 THR 67 HG2 THR 67 -0.153 7.544 5.197 568 3HG2 THR 67 HG2 THR 67 -0.582 7.084 6.845 569 HA PRO 68 HA PRO 68 0.621 10.756 3.542 570 1HB PRO 68 HB2 PRO 68 0.584 10.034 0.902 571 2HB PRO 68 HB1 PRO 68 1.250 8.994 2.177 572 1HG PRO 68 HG2 PRO 68 -1.409 8.875 0.838 573 2HG PRO 68 HG1 PRO 68 -0.321 7.557 1.306 574 1HD PRO 68 HD2 PRO 68 -2.512 8.231 2.749 575 2HD PRO 68 HD1 PRO 68 -1.042 7.552 3.479 576 H LYS 69 HN LYS 69 -0.855 12.684 3.925 577 HA LYS 69 HA LYS 69 -2.069 13.708 1.398 578 1HB LYS 69 HB2 LYS 69 -3.368 15.155 2.967 579 2HB LYS 69 HB1 LYS 69 -3.597 13.438 3.293 580 1HG LYS 69 HG2 LYS 69 -2.096 13.500 5.162 581 2HG LYS 69 HG1 LYS 69 -1.537 15.119 4.739 582 1HD LYS 69 HD2 LYS 69 -4.338 15.322 4.954 583 2HD LYS 69 HD1 LYS 69 -3.825 14.347 6.332 584 1HE LYS 69 HE2 LYS 69 -1.907 16.363 6.238 585 2HE LYS 69 HE1 LYS 69 -3.422 17.204 5.851 586 1HZ LYS 69 HZ1 LYS 69 -3.156 17.029 8.241 587 2HZ LYS 69 HZ2 LYS 69 -2.989 15.342 8.128 588 3HZ LYS 69 HZ3 LYS 69 -4.467 16.080 7.733 589 H GLN 70 HN GLN 70 0.592 14.004 1.298 590 HA GLN 70 HA GLN 70 0.975 16.917 1.621 591 1HB GLN 70 HB2 GLN 70 1.922 14.939 3.490 592 2HB GLN 70 HB1 GLN 70 3.306 15.696 2.700 593 1HG GLN 70 HG2 GLN 70 3.016 17.327 4.259 594 2HG GLN 70 HG1 GLN 70 1.726 17.873 3.188 595 1HE2 GLN 70 HE2 GLN 70 0.704 18.698 5.274 596 2HE2 GLN 70 HE2 GLN 70 -0.192 17.608 6.217 597 H LEU 71 HN LEU 71 0.945 16.418 -0.803 598 HA LEU 71 HA LEU 71 3.723 15.780 -1.706 599 1HB LEU 71 HB2 LEU 71 1.303 14.240 -2.058 600 2HB LEU 71 HB1 LEU 71 1.902 14.777 -3.629 601 HG LEU 71 HG LEU 71 3.575 13.377 -1.523 602 1HD1 LEU 71 HD1 LEU 71 3.090 11.387 -2.516 603 2HD1 LEU 71 HD1 LEU 71 3.076 12.092 -4.133 604 3HD1 LEU 71 HD1 LEU 71 1.653 12.227 -3.101 605 1HD2 LEU 71 HD2 LEU 71 4.513 15.069 -3.375 606 2HD2 LEU 71 HD2 LEU 71 4.357 13.640 -4.395 607 3HD2 LEU 71 HD2 LEU 71 5.376 13.589 -2.956 Start of MODEL 14 1 1H THR 1 HT1 THR 1 5.440 -9.528 14.544 2 2H THR 1 HT2 THR 1 6.239 -8.946 13.162 3 3H THR 1 HT3 THR 1 5.587 -7.857 14.292 4 HA THR 1 HA THR 1 7.171 -8.850 15.980 5 HB THR 1 HB THR 1 8.271 -9.938 13.367 6 HG1 THR 1 HG1 THR 1 7.637 -11.891 14.141 7 1HG2 THR 1 HG2 THR 1 10.013 -10.933 14.714 8 2HG2 THR 1 HG2 THR 1 9.252 -10.366 16.200 9 3HG2 THR 1 HG2 THR 1 9.967 -9.208 15.078 10 H ARG 2 HN ARG 2 9.113 -7.584 16.326 11 HA ARG 2 HA ARG 2 9.161 -5.029 15.010 12 1HB ARG 2 HB2 ARG 2 11.042 -6.527 16.852 13 2HB ARG 2 HB1 ARG 2 11.326 -4.857 16.360 14 1HG ARG 2 HG2 ARG 2 9.356 -4.088 17.428 15 2HG ARG 2 HG1 ARG 2 8.700 -5.718 17.572 16 1HD ARG 2 HD2 ARG 2 11.048 -5.997 18.947 17 2HD ARG 2 HD1 ARG 2 10.627 -4.315 19.323 18 HE ARG 2 HE ARG 2 8.402 -6.237 19.508 19 1HH1 ARG 2 HH2 ARG 2 10.677 -6.773 21.523 20 2HH1 ARG 2 HH2 ARG 2 10.095 -5.892 22.896 21 1HH2 ARG 2 HH1 ARG 2 7.741 -4.105 21.084 22 2HH2 ARG 2 HH1 ARG 2 8.433 -4.382 22.647 23 H GLY 3 HN GLY 3 9.420 -5.585 12.716 24 1HA GLY 3 HA2 GLY 3 11.829 -6.998 11.851 25 2HA GLY 3 HA1 GLY 3 10.654 -6.213 10.794 26 H SER 4 HN SER 4 11.304 -4.344 9.846 27 HA SER 4 HA SER 4 13.007 -2.405 11.213 28 1HB SER 4 HB2 SER 4 14.934 -2.724 9.691 29 2HB SER 4 HB1 SER 4 14.605 -4.193 10.606 30 HG SER 4 HG SER 4 13.414 -4.930 8.772 31 H ASP 5 HN ASP 5 13.625 -0.610 9.582 32 HA ASP 5 HA ASP 5 11.298 0.289 8.180 33 1HB ASP 5 HB2 ASP 5 12.913 2.023 7.350 34 2HB ASP 5 HB1 ASP 5 13.019 1.765 9.092 35 H ILE 6 HN ILE 6 10.613 -1.183 6.571 36 HA ILE 6 HA ILE 6 12.493 -1.535 4.256 37 HB ILE 6 HB ILE 6 10.531 -3.479 5.510 38 1HG1 ILE 6 HG1 ILE 6 12.654 -3.220 6.743 39 2HG1 ILE 6 HG1 ILE 6 12.571 -4.802 5.968 40 1HG2 ILE 6 HG2 ILE 6 10.415 -4.335 3.416 41 2HG2 ILE 6 HG2 ILE 6 12.068 -4.882 3.695 42 3HG2 ILE 6 HG2 ILE 6 11.772 -3.362 2.851 43 1HD1 ILE 6 HD1 ILE 6 13.791 -3.613 3.982 44 2HD1 ILE 6 HD1 ILE 6 14.727 -4.085 5.399 45 3HD1 ILE 6 HD1 ILE 6 14.222 -2.409 5.196 46 H SER 7 HN SER 7 10.900 0.608 4.047 47 HA SER 7 HA SER 7 8.335 -0.201 2.794 48 1HB SER 7 HB2 SER 7 7.700 2.036 3.192 49 2HB SER 7 HB1 SER 7 8.738 1.657 4.564 50 HG SER 7 HG SER 7 10.153 3.044 3.850 51 H LYS 8 HN LYS 8 11.533 0.852 1.933 52 HA LYS 8 HA LYS 8 10.750 1.858 -0.716 53 1HB LYS 8 HB2 LYS 8 12.847 2.229 1.050 54 2HB LYS 8 HB1 LYS 8 13.571 1.215 -0.199 55 1HG LYS 8 HG2 LYS 8 12.504 2.842 -1.889 56 2HG LYS 8 HG1 LYS 8 12.266 3.919 -0.513 57 1HD LYS 8 HD2 LYS 8 14.422 4.556 -0.581 58 2HD LYS 8 HD1 LYS 8 14.954 2.877 -0.469 59 1HE LYS 8 HE2 LYS 8 15.767 3.953 -2.565 60 2HE LYS 8 HE1 LYS 8 14.646 2.624 -2.922 61 1HZ LYS 8 HZ1 LYS 8 14.225 4.901 -4.018 62 2HZ LYS 8 HZ2 LYS 8 13.637 5.364 -2.493 63 3HZ LYS 8 HZ3 LYS 8 12.910 4.079 -3.333 64 H THR 9 HN THR 9 9.775 -0.720 -0.529 65 HA THR 9 HA THR 9 11.727 -2.342 -2.131 66 HB THR 9 HB THR 9 11.176 -3.187 0.146 67 HG1 THR 9 HG1 THR 9 10.340 -5.252 -0.624 68 1HG2 THR 9 HG2 THR 9 8.520 -2.439 -0.704 69 2HG2 THR 9 HG2 THR 9 9.083 -2.885 0.905 70 3HG2 THR 9 HG2 THR 9 8.548 -4.134 -0.219 71 H CYS 10 HN CYS 10 10.693 -3.730 -3.799 72 HA CYS 10 HA CYS 10 8.548 -2.312 -5.211 73 1HB CYS 10 HB2 CYS 10 10.052 -4.891 -5.764 74 2HB CYS 10 HB1 CYS 10 9.057 -4.018 -6.928 75 H CYS 11 HN CYS 11 6.969 -4.163 -6.329 76 HA CYS 11 HA CYS 11 5.824 -5.765 -4.066 77 1HB CYS 11 HB2 CYS 11 4.586 -3.802 -5.987 78 2HB CYS 11 HB1 CYS 11 3.600 -5.061 -5.241 79 H PHE 12 HN PHE 12 6.292 -7.841 -4.772 80 HA PHE 12 HA PHE 12 5.613 -8.537 -7.596 81 1HB PHE 12 HB2 PHE 12 7.230 -10.406 -7.204 82 2HB PHE 12 HB1 PHE 12 7.965 -8.819 -6.980 83 HD1 PHE 12 HD1 PHE 12 6.611 -11.795 -5.237 84 HD2 PHE 12 HD2 PHE 12 8.699 -8.064 -4.809 85 HE1 PHE 12 HE1 PHE 12 7.230 -12.407 -2.915 86 HE2 PHE 12 HE2 PHE 12 9.317 -8.677 -2.488 87 HZ PHE 12 HZ PHE 12 8.584 -10.848 -1.540 88 H GLN 13 HN GLN 13 3.757 -8.410 -5.230 89 HA GLN 13 HA GLN 13 2.553 -11.073 -5.583 90 1HB GLN 13 HB2 GLN 13 4.371 -10.927 -3.656 91 2HB GLN 13 HB1 GLN 13 3.050 -10.167 -2.765 92 1HG GLN 13 HG2 GLN 13 1.665 -12.225 -3.671 93 2HG GLN 13 HG1 GLN 13 3.259 -12.967 -3.819 94 1HE2 GLN 13 HE2 GLN 13 1.021 -11.481 -1.462 95 2HE2 GLN 13 HE2 GLN 13 1.736 -12.188 -0.095 96 H TYR 14 HN TYR 14 0.305 -10.983 -5.210 97 HA TYR 14 HA TYR 14 -0.782 -8.445 -4.080 98 1HB TYR 14 HB2 TYR 14 -1.596 -9.873 -6.631 99 2HB TYR 14 HB1 TYR 14 -2.395 -8.444 -5.975 100 HD1 TYR 14 HD1 TYR 14 -0.407 -9.242 -8.548 101 HD2 TYR 14 HD2 TYR 14 -0.252 -6.749 -5.055 102 HE1 TYR 14 HE1 TYR 14 1.267 -7.789 -9.660 103 HE2 TYR 14 HE2 TYR 14 1.422 -5.296 -6.166 104 HH TYR 14 HH TYR 14 1.942 -4.827 -8.864 105 H SER 15 HN SER 15 -2.098 -8.998 -2.393 106 HA SER 15 HA SER 15 -3.095 -11.711 -2.024 107 1HB SER 15 HB2 SER 15 -4.298 -10.407 -0.097 108 2HB SER 15 HB1 SER 15 -2.541 -10.528 -0.069 109 HG SER 15 HG SER 15 -3.674 -8.358 0.162 110 H HIS 16 HN HIS 16 -5.629 -11.634 -1.223 111 HA HIS 16 HA HIS 16 -7.286 -10.100 -3.151 112 1HB HIS 16 HB2 HIS 16 -6.462 -12.880 -3.412 113 2HB HIS 16 HB1 HIS 16 -8.219 -12.743 -3.337 114 HD1 HIS 16 HD1 HIS 16 -6.671 -13.469 -5.984 115 HD2 HIS 16 HD2 HIS 16 -7.994 -9.650 -4.965 116 HE1 HIS 16 HE1 HIS 16 -6.888 -12.183 -8.155 117 H LYS 17 HN LYS 17 -6.991 -10.226 -0.183 118 HA LYS 17 HA LYS 17 -9.806 -10.978 0.467 119 1HB LYS 17 HB2 LYS 17 -7.256 -11.503 2.024 120 2HB LYS 17 HB1 LYS 17 -8.876 -11.790 2.660 121 1HG LYS 17 HG2 LYS 17 -9.325 -13.349 0.785 122 2HG LYS 17 HG1 LYS 17 -7.687 -13.084 0.187 123 1HD LYS 17 HD2 LYS 17 -7.196 -14.907 1.469 124 2HD LYS 17 HD1 LYS 17 -7.169 -13.729 2.782 125 1HE LYS 17 HE2 LYS 17 -9.070 -14.571 3.716 126 2HE LYS 17 HE1 LYS 17 -9.874 -14.720 2.141 127 1HZ LYS 17 HZ1 LYS 17 -7.923 -16.565 3.383 128 2HZ LYS 17 HZ2 LYS 17 -8.215 -16.577 1.709 129 3HZ LYS 17 HZ3 LYS 17 -9.476 -16.915 2.797 130 HA PRO 18 HA PRO 18 -9.873 -6.894 2.140 131 1HB PRO 18 HB2 PRO 18 -12.013 -7.116 3.826 132 2HB PRO 18 HB1 PRO 18 -12.177 -7.022 2.062 133 1HG PRO 18 HG2 PRO 18 -12.330 -9.384 3.853 134 2HG PRO 18 HG1 PRO 18 -13.248 -9.015 2.386 135 1HD PRO 18 HD2 PRO 18 -11.136 -10.766 2.482 136 2HD PRO 18 HD1 PRO 18 -11.660 -9.911 1.015 137 H LEU 19 HN LEU 19 -8.209 -6.406 3.522 138 HA LEU 19 HA LEU 19 -7.540 -7.919 5.890 139 1HB LEU 19 HB2 LEU 19 -6.117 -6.399 4.361 140 2HB LEU 19 HB1 LEU 19 -6.815 -5.048 5.255 141 HG LEU 19 HG LEU 19 -6.019 -6.173 7.381 142 1HD1 LEU 19 HD1 LEU 19 -4.214 -7.862 7.102 143 2HD1 LEU 19 HD1 LEU 19 -4.523 -7.878 5.366 144 3HD1 LEU 19 HD1 LEU 19 -5.761 -8.444 6.487 145 1HD2 LEU 19 HD2 LEU 19 -4.015 -5.038 7.255 146 2HD2 LEU 19 HD2 LEU 19 -4.769 -4.406 5.792 147 3HD2 LEU 19 HD2 LEU 19 -3.604 -5.726 5.684 148 HA PRO 20 HA PRO 20 -10.506 -6.125 8.649 149 1HB PRO 20 HB2 PRO 20 -9.196 -6.563 11.025 150 2HB PRO 20 HB1 PRO 20 -10.045 -7.840 10.130 151 1HG PRO 20 HG2 PRO 20 -7.133 -7.186 10.180 152 2HG PRO 20 HG1 PRO 20 -7.933 -8.767 10.238 153 1HD PRO 20 HD2 PRO 20 -6.835 -7.812 7.975 154 2HD PRO 20 HD1 PRO 20 -8.306 -8.811 7.958 155 H TRP 21 HN TRP 21 -10.608 -3.924 8.501 156 HA TRP 21 HA TRP 21 -8.618 -2.006 8.447 157 1HB TRP 21 HB2 TRP 21 -11.396 -1.959 9.652 158 2HB TRP 21 HB1 TRP 21 -10.450 -0.500 9.344 159 HD1 TRP 21 HD1 TRP 21 -12.380 -3.257 7.589 160 HE1 TRP 21 HE1 TRP 21 -12.604 -2.675 5.088 161 HE3 TRP 21 HE3 TRP 21 -9.281 0.795 7.345 162 HZ2 TRP 21 HZ2 TRP 21 -11.599 -0.751 3.230 163 HZ3 TRP 21 HZ3 TRP 21 -8.934 1.982 5.198 164 HH2 TRP 21 HH2 TRP 21 -10.088 1.216 3.142 165 H THR 22 HN THR 22 -9.790 -3.716 11.290 166 HA THR 22 HA THR 22 -8.823 -1.979 13.331 167 HB THR 22 HB THR 22 -8.643 -4.250 14.563 168 HG1 THR 22 HG1 THR 22 -10.038 -5.286 12.374 169 1HG2 THR 22 HG2 THR 22 -10.627 -3.021 14.893 170 2HG2 THR 22 HG2 THR 22 -11.200 -4.582 14.303 171 3HG2 THR 22 HG2 THR 22 -11.122 -3.199 13.210 172 H TRP 23 HN TRP 23 -7.204 -4.422 11.343 173 HA TRP 23 HA TRP 23 -4.614 -3.866 12.700 174 1HB TRP 23 HB2 TRP 23 -5.832 -6.044 11.055 175 2HB TRP 23 HB1 TRP 23 -4.083 -5.849 10.973 176 HD1 TRP 23 HD1 TRP 23 -5.938 -5.055 14.204 177 HE1 TRP 23 HE1 TRP 23 -5.273 -6.782 15.997 178 HE3 TRP 23 HE3 TRP 23 -3.263 -8.326 11.331 179 HZ2 TRP 23 HZ2 TRP 23 -3.803 -9.228 16.188 180 HZ3 TRP 23 HZ3 TRP 23 -2.245 -10.345 12.345 181 HH2 TRP 23 HH2 TRP 23 -2.511 -10.800 14.768 182 H VAL 24 HN VAL 24 -6.295 -2.454 10.262 183 HA VAL 24 HA VAL 24 -4.046 -2.297 8.339 184 HB VAL 24 HB VAL 24 -6.858 -1.166 8.291 185 1HG1 VAL 24 HG1 VAL 24 -6.444 -0.481 6.103 186 2HG1 VAL 24 HG1 VAL 24 -5.148 -1.655 5.874 187 3HG1 VAL 24 HG1 VAL 24 -4.862 -0.201 6.830 188 1HG2 VAL 24 HG2 VAL 24 -7.371 -3.371 8.002 189 2HG2 VAL 24 HG2 VAL 24 -5.695 -3.808 7.692 190 3HG2 VAL 24 HG2 VAL 24 -6.689 -3.153 6.391 191 H ARG 25 HN ARG 25 -2.898 -0.360 7.995 192 HA ARG 25 HA ARG 25 -3.488 1.844 9.941 193 1HB ARG 25 HB2 ARG 25 -1.426 0.446 10.271 194 2HB ARG 25 HB1 ARG 25 -0.849 1.011 8.704 195 1HG ARG 25 HG2 ARG 25 -0.963 3.347 9.509 196 2HG ARG 25 HG1 ARG 25 -1.517 2.771 11.082 197 1HD ARG 25 HD2 ARG 25 0.573 2.030 11.693 198 2HD ARG 25 HD1 ARG 25 0.992 1.541 10.039 199 HE ARG 25 HE ARG 25 1.537 3.849 9.531 200 1HH1 ARG 25 HH2 ARG 25 -0.428 5.292 11.194 201 2HH1 ARG 25 HH2 ARG 25 0.542 5.919 12.485 202 1HH2 ARG 25 HH1 ARG 25 3.204 3.783 11.877 203 2HH2 ARG 25 HH1 ARG 25 2.598 5.065 12.873 204 H SER 26 HN SER 26 -1.792 1.346 6.796 205 HA SER 26 HA SER 26 -3.304 3.565 5.591 206 1HB SER 26 HB2 SER 26 -1.103 4.838 5.229 207 2HB SER 26 HB1 SER 26 -1.750 4.849 6.867 208 HG SER 26 HG SER 26 0.107 2.919 5.943 209 H TYR 27 HN TYR 27 -1.623 4.177 3.477 210 HA TYR 27 HA TYR 27 -0.805 1.575 2.281 211 1HB TYR 27 HB2 TYR 27 -2.593 1.547 0.888 212 2HB TYR 27 HB1 TYR 27 -3.275 2.839 1.863 213 HD1 TYR 27 HD1 TYR 27 -2.115 1.906 -1.383 214 HD2 TYR 27 HD2 TYR 27 -2.582 5.271 1.244 215 HE1 TYR 27 HE1 TYR 27 -1.979 3.442 -3.326 216 HE2 TYR 27 HE2 TYR 27 -2.447 6.807 -0.699 217 HH TYR 27 HH TYR 27 -1.395 6.677 -3.074 218 H GLU 28 HN GLU 28 -0.025 2.281 -0.160 219 HA GLU 28 HA GLU 28 1.211 4.853 -0.496 220 1HB GLU 28 HB2 GLU 28 3.539 4.180 0.016 221 2HB GLU 28 HB1 GLU 28 2.517 4.032 1.445 222 1HG GLU 28 HG2 GLU 28 2.289 1.638 1.098 223 2HG GLU 28 HG1 GLU 28 3.164 1.741 -0.431 224 H PHE 29 HN PHE 29 2.500 4.899 -2.497 225 HA PHE 29 HA PHE 29 1.854 2.603 -4.284 226 1HB PHE 29 HB2 PHE 29 1.864 5.445 -4.469 227 2HB PHE 29 HB1 PHE 29 3.089 4.848 -5.590 228 HD1 PHE 29 HD1 PHE 29 2.270 2.554 -6.843 229 HD2 PHE 29 HD2 PHE 29 -0.271 5.683 -5.360 230 HE1 PHE 29 HE1 PHE 29 0.490 1.858 -8.424 231 HE2 PHE 29 HE2 PHE 29 -2.050 4.988 -6.940 232 HZ PHE 29 HZ PHE 29 -1.670 3.075 -8.472 233 H THR 30 HN THR 30 3.481 1.461 -5.374 234 HA THR 30 HA THR 30 5.997 1.047 -4.204 235 HB THR 30 HB THR 30 6.501 0.244 -6.651 236 HG1 THR 30 HG1 THR 30 5.023 1.402 -7.768 237 1HG2 THR 30 HG2 THR 30 5.836 -1.263 -4.848 238 2HG2 THR 30 HG2 THR 30 4.962 -1.684 -6.321 239 3HG2 THR 30 HG2 THR 30 4.149 -0.784 -5.041 240 H SER 31 HN SER 31 8.150 1.485 -5.487 241 HA SER 31 HA SER 31 8.393 4.403 -5.801 242 1HB SER 31 HB2 SER 31 10.031 2.106 -5.110 243 2HB SER 31 HB1 SER 31 10.841 3.119 -6.302 244 HG SER 31 HG SER 31 10.457 4.899 -4.919 245 H ASN 32 HN ASN 32 10.022 5.034 -7.683 246 HA ASN 32 HA ASN 32 8.785 4.091 -10.200 247 1HB ASN 32 HB2 ASN 32 10.004 6.034 -11.122 248 2HB ASN 32 HB1 ASN 32 9.098 6.495 -9.679 249 1HD2 ASN 32 HD2 ASN 32 12.369 5.834 -10.910 250 2HD2 ASN 32 HD2 ASN 32 13.188 6.541 -9.602 251 H SER 33 HN SER 33 11.733 3.665 -8.396 252 HA SER 33 HA SER 33 13.259 2.696 -10.726 253 1HB SER 33 HB2 SER 33 13.854 3.938 -8.342 254 2HB SER 33 HB1 SER 33 14.290 2.267 -8.001 255 HG SER 33 HG SER 33 15.736 2.304 -9.630 256 H CYS 34 HN CYS 34 10.762 1.283 -9.501 257 HA CYS 34 HA CYS 34 11.967 -1.295 -8.652 258 1HB CYS 34 HB2 CYS 34 9.377 0.133 -8.473 259 2HB CYS 34 HB1 CYS 34 9.256 -1.619 -8.643 260 H SER 35 HN SER 35 10.509 -3.233 -9.636 261 HA SER 35 HA SER 35 11.059 -3.242 -12.512 262 1HB SER 35 HB2 SER 35 10.584 -5.564 -12.296 263 2HB SER 35 HB1 SER 35 11.309 -5.116 -10.754 264 HG SER 35 HG SER 35 9.352 -5.174 -9.809 265 H GLN 36 HN GLN 36 8.141 -3.301 -10.447 266 HA GLN 36 HA GLN 36 6.561 -2.343 -12.789 267 1HB GLN 36 HB2 GLN 36 6.503 -4.867 -12.550 268 2HB GLN 36 HB1 GLN 36 5.715 -4.629 -10.988 269 1HG GLN 36 HG2 GLN 36 3.766 -4.578 -12.131 270 2HG GLN 36 HG1 GLN 36 4.267 -2.986 -12.699 271 1HE2 GLN 36 HE2 GLN 36 3.493 -6.159 -13.731 272 2HE2 GLN 36 HE2 GLN 36 4.066 -6.030 -15.324 273 H ARG 37 HN ARG 37 4.902 -0.937 -12.188 274 HA ARG 37 HA ARG 37 4.964 0.193 -9.514 275 1HB ARG 37 HB2 ARG 37 3.241 0.545 -11.980 276 2HB ARG 37 HB1 ARG 37 3.023 1.516 -10.524 277 1HG ARG 37 HG2 ARG 37 4.638 2.887 -11.287 278 2HG ARG 37 HG1 ARG 37 5.787 1.570 -11.042 279 1HD ARG 37 HD2 ARG 37 6.126 1.661 -13.292 280 2HD ARG 37 HD1 ARG 37 4.526 0.908 -13.446 281 HE ARG 37 HE ARG 37 3.743 3.439 -13.192 282 1HH1 ARG 37 HH1 ARG 37 4.671 2.033 -15.875 283 2HH1 ARG 37 HH1 ARG 37 5.513 3.361 -16.600 284 1HH2 ARG 37 HH2 ARG 37 5.611 5.236 -13.686 285 2HH2 ARG 37 HH2 ARG 37 6.045 5.174 -15.362 286 H ALA 38 HN ALA 38 3.241 0.127 -7.958 287 HA ALA 38 HA ALA 38 0.841 -1.464 -8.362 288 1HB ALA 38 HB1 ALA 38 2.717 -2.676 -6.374 289 2HB ALA 38 HB2 ALA 38 3.038 -2.971 -8.084 290 3HB ALA 38 HB3 ALA 38 1.496 -3.457 -7.380 291 H VAL 39 HN VAL 39 -0.432 -1.588 -6.307 292 HA VAL 39 HA VAL 39 0.135 0.766 -4.582 293 HB VAL 39 HB VAL 39 -2.258 -1.068 -4.945 294 1HG1 VAL 39 HG1 VAL 39 -2.149 -0.108 -2.665 295 2HG1 VAL 39 HG1 VAL 39 -3.478 0.588 -3.592 296 3HG1 VAL 39 HG1 VAL 39 -1.989 1.504 -3.359 297 1HG2 VAL 39 HG2 VAL 39 -3.210 0.713 -6.222 298 2HG2 VAL 39 HG2 VAL 39 -1.563 0.529 -6.826 299 3HG2 VAL 39 HG2 VAL 39 -1.954 1.842 -5.715 300 H ILE 40 HN ILE 40 -0.093 0.496 -2.197 301 HA ILE 40 HA ILE 40 0.380 -2.296 -1.244 302 HB ILE 40 HB ILE 40 2.026 0.210 -0.828 303 1HG1 ILE 40 HG1 ILE 40 3.013 -2.544 -1.530 304 2HG1 ILE 40 HG1 ILE 40 2.338 -1.499 -2.779 305 1HG2 ILE 40 HG2 ILE 40 2.111 -2.394 0.716 306 2HG2 ILE 40 HG2 ILE 40 1.785 -0.788 1.368 307 3HG2 ILE 40 HG2 ILE 40 3.391 -1.181 0.753 308 1HD1 ILE 40 HD1 ILE 40 4.157 -0.152 -2.792 309 2HD1 ILE 40 HD1 ILE 40 4.964 -1.458 -1.924 310 3HD1 ILE 40 HD1 ILE 40 4.245 -0.119 -1.031 311 H PHE 41 HN PHE 41 -0.237 -2.627 0.959 312 HA PHE 41 HA PHE 41 -1.722 -0.384 2.283 313 1HB PHE 41 HB2 PHE 41 -2.542 -3.287 1.909 314 2HB PHE 41 HB1 PHE 41 -3.434 -2.114 2.879 315 HD1 PHE 41 HD1 PHE 41 -3.288 -3.622 -0.261 316 HD2 PHE 41 HD2 PHE 41 -3.847 0.225 1.562 317 HE1 PHE 41 HE1 PHE 41 -4.443 -2.822 -2.304 318 HE2 PHE 41 HE2 PHE 41 -5.000 1.027 -0.483 319 HZ PHE 41 HZ PHE 41 -5.297 -0.498 -2.416 320 H THR 42 HN THR 42 -0.701 -0.067 4.250 321 HA THR 42 HA THR 42 0.836 -2.317 5.411 322 HB THR 42 HB THR 42 0.768 0.415 6.609 323 HG1 THR 42 HG1 THR 42 2.170 1.126 4.939 324 1HG2 THR 42 HG2 THR 42 2.684 -1.832 6.197 325 2HG2 THR 42 HG2 THR 42 2.400 -0.847 7.632 326 3HG2 THR 42 HG2 THR 42 3.349 -0.202 6.292 327 H THR 43 HN THR 43 0.469 -3.146 7.463 328 HA THR 43 HA THR 43 -2.244 -2.787 8.549 329 HB THR 43 HB THR 43 -1.605 -4.746 9.882 330 HG1 THR 43 HG1 THR 43 0.422 -5.244 10.183 331 1HG2 THR 43 HG2 THR 43 -1.997 -4.751 7.239 332 2HG2 THR 43 HG2 THR 43 -1.589 -6.226 8.116 333 3HG2 THR 43 HG2 THR 43 -0.335 -5.341 7.249 334 H LYS 44 HN LYS 44 -2.011 -3.109 11.203 335 HA LYS 44 HA LYS 44 -0.840 -0.553 12.104 336 1HB LYS 44 HB2 LYS 44 -2.541 -2.701 13.405 337 2HB LYS 44 HB1 LYS 44 -2.091 -1.188 14.191 338 1HG LYS 44 HG2 LYS 44 -3.275 -0.934 11.481 339 2HG LYS 44 HG1 LYS 44 -4.368 -1.485 12.752 340 1HD LYS 44 HD2 LYS 44 -2.859 0.623 13.880 341 2HD LYS 44 HD1 LYS 44 -3.350 1.174 12.277 342 1HE LYS 44 HE2 LYS 44 -5.616 1.086 12.793 343 2HE LYS 44 HE1 LYS 44 -5.394 -0.188 14.009 344 1HZ LYS 44 HZ1 LYS 44 -4.007 1.531 15.239 345 2HZ LYS 44 HZ2 LYS 44 -5.690 1.755 15.252 346 3HZ LYS 44 HZ3 LYS 44 -4.715 2.686 14.218 347 H ARG 45 HN ARG 45 -0.136 -3.970 12.255 348 HA ARG 45 HA ARG 45 1.655 -3.774 14.571 349 1HB ARG 45 HB2 ARG 45 0.276 -5.776 13.835 350 2HB ARG 45 HB1 ARG 45 1.396 -5.959 12.485 351 1HG ARG 45 HG2 ARG 45 2.911 -6.971 13.806 352 2HG ARG 45 HG1 ARG 45 2.862 -5.634 14.957 353 1HD ARG 45 HD2 ARG 45 0.449 -6.899 15.434 354 2HD ARG 45 HD1 ARG 45 1.547 -8.256 15.109 355 HE ARG 45 HE ARG 45 3.022 -6.563 16.747 356 1HH1 ARG 45 HH2 ARG 45 -0.068 -6.280 17.537 357 2HH1 ARG 45 HH2 ARG 45 -0.054 -7.251 18.971 358 1HH2 ARG 45 HH1 ARG 45 3.070 -8.616 18.334 359 2HH2 ARG 45 HH1 ARG 45 1.722 -8.573 19.423 360 H GLY 46 HN GLY 46 1.923 -3.488 11.092 361 1HA GLY 46 HA2 GLY 46 3.975 -2.168 10.394 362 2HA GLY 46 HA1 GLY 46 4.895 -3.297 11.387 363 H LYS 47 HN LYS 47 2.191 -4.357 9.404 364 HA LYS 47 HA LYS 47 4.125 -5.905 7.743 365 1HB LYS 47 HB2 LYS 47 1.576 -6.411 9.070 366 2HB LYS 47 HB1 LYS 47 1.531 -6.884 7.370 367 1HG LYS 47 HG2 LYS 47 3.740 -8.086 7.774 368 2HG LYS 47 HG1 LYS 47 3.476 -7.811 9.496 369 1HD LYS 47 HD2 LYS 47 2.179 -9.647 9.547 370 2HD LYS 47 HD1 LYS 47 1.043 -8.832 8.471 371 1HE LYS 47 HE2 LYS 47 3.486 -10.361 7.507 372 2HE LYS 47 HE1 LYS 47 1.836 -11.017 7.532 373 1HZ LYS 47 HZ1 LYS 47 1.171 -8.955 6.291 374 2HZ LYS 47 HZ2 LYS 47 2.127 -10.046 5.408 375 3HZ LYS 47 HZ3 LYS 47 2.819 -8.637 6.058 376 H LYS 48 HN LYS 48 4.462 -4.903 5.789 377 HA LYS 48 HA LYS 48 2.302 -3.242 4.607 378 1HB LYS 48 HB2 LYS 48 4.757 -2.572 4.928 379 2HB LYS 48 HB1 LYS 48 5.118 -3.691 3.613 380 1HG LYS 48 HG2 LYS 48 4.378 -2.234 2.060 381 2HG LYS 48 HG1 LYS 48 2.881 -1.952 2.949 382 1HD LYS 48 HD2 LYS 48 4.084 0.144 2.832 383 2HD LYS 48 HD1 LYS 48 4.167 -0.439 4.494 384 1HE LYS 48 HE2 LYS 48 6.388 -1.630 3.387 385 2HE LYS 48 HE1 LYS 48 6.343 -0.071 2.539 386 1HZ LYS 48 HZ1 LYS 48 6.153 1.075 4.610 387 2HZ LYS 48 HZ2 LYS 48 7.482 0.025 4.729 388 3HZ LYS 48 HZ3 LYS 48 6.009 -0.377 5.475 389 H VAL 49 HN VAL 49 0.864 -4.547 3.489 390 HA VAL 49 HA VAL 49 1.921 -6.776 1.823 391 HB VAL 49 HB VAL 49 -0.880 -5.857 2.557 392 1HG1 VAL 49 HG1 VAL 49 -1.342 -8.311 1.795 393 2HG1 VAL 49 HG1 VAL 49 0.179 -8.152 0.919 394 3HG1 VAL 49 HG1 VAL 49 -1.163 -7.065 0.561 395 1HG2 VAL 49 HG2 VAL 49 -0.273 -6.792 4.541 396 2HG2 VAL 49 HG2 VAL 49 1.145 -7.571 3.840 397 3HG2 VAL 49 HG2 VAL 49 -0.441 -8.327 3.691 398 H CYS 50 HN CYS 50 2.043 -6.597 -0.392 399 HA CYS 50 HA CYS 50 1.509 -4.010 -1.654 400 1HB CYS 50 HB2 CYS 50 2.584 -6.706 -2.477 401 2HB CYS 50 HB1 CYS 50 2.304 -5.441 -3.674 402 H THR 51 HN THR 51 0.269 -3.963 -3.765 403 HA THR 51 HA THR 51 -1.844 -5.969 -4.161 404 HB THR 51 HB THR 51 -3.516 -3.915 -3.875 405 HG1 THR 51 HG1 THR 51 -2.355 -2.281 -3.217 406 1HG2 THR 51 HG2 THR 51 -3.168 -6.153 -2.523 407 2HG2 THR 51 HG2 THR 51 -4.153 -4.856 -1.850 408 3HG2 THR 51 HG2 THR 51 -2.488 -5.071 -1.308 409 H HIS 52 HN HIS 52 -3.468 -4.850 -5.905 410 HA HIS 52 HA HIS 52 -1.691 -3.556 -7.924 411 1HB HIS 52 HB2 HIS 52 -3.032 -5.923 -8.033 412 2HB HIS 52 HB1 HIS 52 -4.235 -4.840 -8.735 413 HD1 HIS 52 HD1 HIS 52 -4.008 -5.120 -11.214 414 HD2 HIS 52 HD2 HIS 52 -0.294 -4.784 -9.349 415 HE1 HIS 52 HE1 HIS 52 -2.280 -5.041 -13.065 416 HA PRO 53 HA PRO 53 -4.422 -0.079 -7.578 417 1HB PRO 53 HB2 PRO 53 -3.622 1.281 -9.810 418 2HB PRO 53 HB1 PRO 53 -2.659 1.219 -8.320 419 1HG PRO 53 HG2 PRO 53 -2.321 -0.291 -10.855 420 2HG PRO 53 HG1 PRO 53 -1.097 0.362 -9.756 421 1HD PRO 53 HD2 PRO 53 -1.834 -2.280 -9.855 422 2HD PRO 53 HD1 PRO 53 -1.121 -1.492 -8.430 423 H ARG 54 HN ARG 54 -4.326 -2.245 -10.291 424 HA ARG 54 HA ARG 54 -6.482 -1.086 -11.836 425 1HB ARG 54 HB2 ARG 54 -4.630 -2.746 -12.499 426 2HB ARG 54 HB1 ARG 54 -5.622 -3.985 -11.727 427 1HG ARG 54 HG2 ARG 54 -7.247 -2.337 -13.466 428 2HG ARG 54 HG1 ARG 54 -5.880 -3.008 -14.357 429 1HD ARG 54 HD2 ARG 54 -6.464 -5.275 -13.601 430 2HD ARG 54 HD1 ARG 54 -7.812 -4.621 -12.650 431 HE ARG 54 HE ARG 54 -7.641 -4.286 -15.624 432 1HH1 ARG 54 HH2 ARG 54 -9.652 -2.888 -13.692 433 2HH1 ARG 54 HH2 ARG 54 -11.063 -3.848 -13.988 434 1HH2 ARG 54 HH1 ARG 54 -9.328 -6.388 -15.585 435 2HH2 ARG 54 HH1 ARG 54 -10.880 -5.830 -15.058 436 H LYS 55 HN LYS 55 -6.337 -3.813 -9.514 437 HA LYS 55 HA LYS 55 -9.013 -4.651 -9.591 438 1HB LYS 55 HB2 LYS 55 -6.696 -4.818 -7.867 439 2HB LYS 55 HB1 LYS 55 -8.165 -4.698 -6.900 440 1HG LYS 55 HG2 LYS 55 -8.381 -6.923 -7.262 441 2HG LYS 55 HG1 LYS 55 -8.901 -6.470 -8.885 442 1HD LYS 55 HD2 LYS 55 -6.015 -6.961 -8.100 443 2HD LYS 55 HD1 LYS 55 -7.049 -8.161 -8.877 444 1HE LYS 55 HE2 LYS 55 -7.453 -6.216 -10.637 445 2HE LYS 55 HE1 LYS 55 -5.892 -5.640 -10.021 446 1HZ LYS 55 HZ1 LYS 55 -4.993 -7.872 -10.349 447 2HZ LYS 55 HZ2 LYS 55 -5.550 -7.216 -11.814 448 3HZ LYS 55 HZ3 LYS 55 -6.473 -8.386 -10.998 449 H LYS 56 HN LYS 56 -10.921 -3.701 -8.989 450 HA LYS 56 HA LYS 56 -11.117 -0.960 -8.224 451 1HB LYS 56 HB2 LYS 56 -13.496 -1.550 -7.913 452 2HB LYS 56 HB1 LYS 56 -12.851 -2.307 -9.371 453 1HG LYS 56 HG2 LYS 56 -12.320 -4.321 -7.793 454 2HG LYS 56 HG1 LYS 56 -13.506 -3.574 -6.721 455 1HD LYS 56 HD2 LYS 56 -15.244 -4.189 -8.036 456 2HD LYS 56 HD1 LYS 56 -14.402 -3.712 -9.511 457 1HE LYS 56 HE2 LYS 56 -12.985 -5.958 -8.648 458 2HE LYS 56 HE1 LYS 56 -14.684 -6.374 -8.345 459 1HZ LYS 56 HZ1 LYS 56 -13.870 -5.040 -10.850 460 2HZ LYS 56 HZ2 LYS 56 -15.270 -5.950 -10.536 461 3HZ LYS 56 HZ3 LYS 56 -13.768 -6.727 -10.702 462 H TRP 57 HN TRP 57 -11.171 -3.943 -6.272 463 HA TRP 57 HA TRP 57 -11.986 -2.790 -3.809 464 1HB TRP 57 HB2 TRP 57 -11.781 -4.970 -3.221 465 2HB TRP 57 HB1 TRP 57 -11.204 -5.271 -4.852 466 HD1 TRP 57 HD1 TRP 57 -8.562 -5.486 -5.203 467 HE1 TRP 57 HE1 TRP 57 -6.662 -6.067 -3.562 468 HE3 TRP 57 HE3 TRP 57 -10.973 -4.732 -0.767 469 HZ2 TRP 57 HZ2 TRP 57 -6.223 -6.197 -0.739 470 HZ3 TRP 57 HZ3 TRP 57 -9.793 -5.095 1.381 471 HH2 TRP 57 HH2 TRP 57 -7.423 -5.825 1.402 472 H VAL 58 HN VAL 58 -8.839 -2.796 -5.408 473 HA VAL 58 HA VAL 58 -7.307 -1.892 -3.118 474 HB VAL 58 HB VAL 58 -6.888 -1.663 -6.110 475 1HG1 VAL 58 HG1 VAL 58 -5.498 -0.233 -4.350 476 2HG1 VAL 58 HG1 VAL 58 -4.699 -1.012 -5.714 477 3HG1 VAL 58 HG1 VAL 58 -4.655 -1.764 -4.120 478 1HG2 VAL 58 HG2 VAL 58 -5.206 -3.616 -5.029 479 2HG2 VAL 58 HG2 VAL 58 -6.666 -3.908 -5.972 480 3HG2 VAL 58 HG2 VAL 58 -6.746 -3.871 -4.212 481 H GLN 59 HN GLN 59 -8.736 -0.212 -5.943 482 HA GLN 59 HA GLN 59 -7.917 2.425 -5.283 483 1HB GLN 59 HB2 GLN 59 -10.510 1.492 -6.569 484 2HB GLN 59 HB1 GLN 59 -9.739 3.063 -6.790 485 1HG GLN 59 HG2 GLN 59 -7.784 1.077 -7.366 486 2HG GLN 59 HG1 GLN 59 -9.256 0.629 -8.227 487 1HE2 GLN 59 HE2 GLN 59 -6.545 2.039 -9.026 488 2HE2 GLN 59 HE2 GLN 59 -7.075 3.348 -9.969 489 H LYS 60 HN LYS 60 -10.413 0.350 -3.977 490 HA LYS 60 HA LYS 60 -11.885 2.455 -2.625 491 1HB LYS 60 HB2 LYS 60 -12.842 0.273 -3.304 492 2HB LYS 60 HB1 LYS 60 -11.740 -0.547 -2.195 493 1HG LYS 60 HG2 LYS 60 -12.820 0.302 -0.289 494 2HG LYS 60 HG1 LYS 60 -13.574 1.619 -1.189 495 1HD LYS 60 HD2 LYS 60 -14.670 -0.455 -2.502 496 2HD LYS 60 HD1 LYS 60 -14.413 -1.228 -0.938 497 1HE LYS 60 HE2 LYS 60 -15.902 0.185 0.159 498 2HE LYS 60 HE1 LYS 60 -15.653 1.509 -0.998 499 1HZ LYS 60 HZ1 LYS 60 -16.839 0.346 -2.659 500 2HZ LYS 60 HZ2 LYS 60 -17.797 0.251 -1.261 501 3HZ LYS 60 HZ3 LYS 60 -16.873 -1.087 -1.753 502 H TYR 61 HN TYR 61 -9.267 0.204 -1.757 503 HA TYR 61 HA TYR 61 -9.260 0.982 1.060 504 1HB TYR 61 HB2 TYR 61 -7.809 -0.803 -0.793 505 2HB TYR 61 HB1 TYR 61 -6.836 -0.187 0.543 506 HD1 TYR 61 HD1 TYR 61 -10.404 -1.298 0.129 507 HD2 TYR 61 HD2 TYR 61 -6.746 -1.640 2.356 508 HE1 TYR 61 HE1 TYR 61 -11.493 -2.908 1.671 509 HE2 TYR 61 HE2 TYR 61 -7.835 -3.248 3.898 510 HH TYR 61 HH TYR 61 -10.367 -3.681 4.616 511 H ILE 62 HN ILE 62 -7.548 2.002 -1.863 512 HA ILE 62 HA ILE 62 -5.521 3.572 -0.536 513 HB ILE 62 HB ILE 62 -6.814 3.813 -3.278 514 1HG1 ILE 62 HG1 ILE 62 -4.218 2.459 -2.493 515 2HG1 ILE 62 HG1 ILE 62 -5.743 1.591 -2.656 516 1HG2 ILE 62 HG2 ILE 62 -4.688 5.310 -1.910 517 2HG2 ILE 62 HG2 ILE 62 -5.579 5.714 -3.378 518 3HG2 ILE 62 HG2 ILE 62 -4.180 4.643 -3.461 519 1HD1 ILE 62 HD1 ILE 62 -3.948 2.103 -4.712 520 2HD1 ILE 62 HD1 ILE 62 -5.197 3.326 -4.946 521 3HD1 ILE 62 HD1 ILE 62 -5.631 1.617 -4.914 522 H SER 63 HN SER 63 -8.775 4.313 -1.798 523 HA SER 63 HA SER 63 -8.739 7.130 -1.254 524 1HB SER 63 HB2 SER 63 -11.322 6.567 -1.124 525 2HB SER 63 HB1 SER 63 -10.462 6.377 -2.649 526 HG SER 63 HG SER 63 -10.978 4.352 -2.537 527 H LEU 64 HN LEU 64 -9.762 4.311 0.675 528 HA LEU 64 HA LEU 64 -10.655 5.821 2.968 529 1HB LEU 64 HB2 LEU 64 -10.166 3.041 2.139 530 2HB LEU 64 HB1 LEU 64 -9.886 3.315 3.859 531 HG LEU 64 HG LEU 64 -12.266 4.714 3.113 532 1HD1 LEU 64 HD1 LEU 64 -12.256 3.059 1.208 533 2HD1 LEU 64 HD1 LEU 64 -13.659 2.931 2.270 534 3HD1 LEU 64 HD1 LEU 64 -12.339 1.769 2.408 535 1HD2 LEU 64 HD2 LEU 64 -12.738 2.265 4.579 536 2HD2 LEU 64 HD2 LEU 64 -12.800 3.929 5.159 537 3HD2 LEU 64 HD2 LEU 64 -11.273 3.048 5.172 538 H LEU 65 HN LEU 65 -7.711 3.775 2.604 539 HA LEU 65 HA LEU 65 -6.392 4.805 4.922 540 1HB LEU 65 HB2 LEU 65 -5.348 3.595 2.339 541 2HB LEU 65 HB1 LEU 65 -4.364 3.831 3.782 542 HG LEU 65 HG LEU 65 -6.799 2.046 3.489 543 1HD1 LEU 65 HD1 LEU 65 -4.289 1.042 4.669 544 2HD1 LEU 65 HD1 LEU 65 -4.142 1.541 2.985 545 3HD1 LEU 65 HD1 LEU 65 -5.323 0.314 3.441 546 1HD2 LEU 65 HD2 LEU 65 -7.026 3.027 5.658 547 2HD2 LEU 65 HD2 LEU 65 -5.289 2.950 5.954 548 3HD2 LEU 65 HD2 LEU 65 -6.246 1.468 5.925 549 H LYS 66 HN LYS 66 -5.317 5.409 1.583 550 HA LYS 66 HA LYS 66 -4.372 7.331 0.593 551 1HB LYS 66 HB2 LYS 66 -6.783 7.972 1.330 552 2HB LYS 66 HB1 LYS 66 -5.987 8.878 2.618 553 1HG LYS 66 HG2 LYS 66 -4.566 9.960 0.789 554 2HG LYS 66 HG1 LYS 66 -5.697 9.258 -0.368 555 1HD LYS 66 HD2 LYS 66 -6.550 11.018 1.945 556 2HD LYS 66 HD1 LYS 66 -6.249 11.626 0.317 557 1HE LYS 66 HE2 LYS 66 -8.246 10.847 -0.443 558 2HE LYS 66 HE1 LYS 66 -8.015 9.274 0.348 559 1HZ LYS 66 HZ1 LYS 66 -9.828 10.529 1.377 560 2HZ LYS 66 HZ2 LYS 66 -8.758 11.801 1.728 561 3HZ LYS 66 HZ3 LYS 66 -8.552 10.285 2.468 562 H THR 67 HN THR 67 -2.211 7.426 1.142 563 HA THR 67 HA THR 67 -1.451 9.145 3.420 564 HB THR 67 HB THR 67 -0.316 6.365 3.106 565 HG1 THR 67 HG1 THR 67 -2.423 7.198 4.807 566 1HG2 THR 67 HG2 THR 67 -0.521 7.829 5.695 567 2HG2 THR 67 HG2 THR 67 0.660 8.415 4.523 568 3HG2 THR 67 HG2 THR 67 0.749 6.754 5.111 569 HA PRO 68 HA PRO 68 1.232 9.005 -0.490 570 1HB PRO 68 HB2 PRO 68 0.521 11.425 -1.555 571 2HB PRO 68 HB1 PRO 68 -0.307 9.907 -1.961 572 1HG PRO 68 HG2 PRO 68 -1.123 12.063 -0.078 573 2HG PRO 68 HG1 PRO 68 -2.110 11.100 -1.189 574 1HD PRO 68 HD2 PRO 68 -1.967 10.626 1.488 575 2HD PRO 68 HD1 PRO 68 -2.309 9.364 0.284 576 H LYS 69 HN LYS 69 0.392 11.574 1.799 577 HA LYS 69 HA LYS 69 3.194 12.023 2.449 578 1HB LYS 69 HB2 LYS 69 2.610 13.176 0.170 579 2HB LYS 69 HB1 LYS 69 1.780 14.361 1.181 580 1HG LYS 69 HG2 LYS 69 3.725 15.242 1.954 581 2HG LYS 69 HG1 LYS 69 4.477 13.657 2.131 582 1HD LYS 69 HD2 LYS 69 5.405 13.717 0.048 583 2HD LYS 69 HD1 LYS 69 4.005 14.525 -0.660 584 1HE LYS 69 HE2 LYS 69 5.000 16.474 1.030 585 2HE LYS 69 HE1 LYS 69 6.476 15.699 0.419 586 1HZ LYS 69 HZ1 LYS 69 5.926 17.222 -1.239 587 2HZ LYS 69 HZ2 LYS 69 4.260 16.907 -1.121 588 3HZ LYS 69 HZ3 LYS 69 5.296 15.761 -1.827 589 H GLN 70 HN GLN 70 3.389 13.249 4.370 590 HA GLN 70 HA GLN 70 0.798 14.114 5.616 591 1HB GLN 70 HB2 GLN 70 3.226 12.634 6.598 592 2HB GLN 70 HB1 GLN 70 2.255 13.559 7.745 593 1HG GLN 70 HG2 GLN 70 0.270 12.271 6.471 594 2HG GLN 70 HG1 GLN 70 1.559 11.091 6.232 595 1HE2 GLN 70 HE2 GLN 70 2.243 9.863 8.053 596 2HE2 GLN 70 HE2 GLN 70 1.575 10.043 9.603 597 H LEU 71 HN LEU 71 4.279 14.769 5.299 598 HA LEU 71 HA LEU 71 3.818 17.504 6.435 599 1HB LEU 71 HB2 LEU 71 5.729 15.434 6.891 600 2HB LEU 71 HB1 LEU 71 6.584 16.791 6.154 601 HG LEU 71 HG LEU 71 4.901 18.025 7.980 602 1HD1 LEU 71 HD1 LEU 71 4.526 15.612 8.833 603 2HD1 LEU 71 HD1 LEU 71 4.973 16.834 10.023 604 3HD1 LEU 71 HD1 LEU 71 6.187 15.704 9.420 605 1HD2 LEU 71 HD2 LEU 71 7.533 18.056 7.369 606 2HD2 LEU 71 HD2 LEU 71 7.609 17.222 8.920 607 3HD2 LEU 71 HD2 LEU 71 6.885 18.826 8.817 Start of MODEL 15 1 1H THR 1 HT1 THR 1 0.684 14.037 5.465 2 2H THR 1 HT2 THR 1 1.734 15.311 5.064 3 3H THR 1 HT3 THR 1 0.086 15.620 5.344 4 HA THR 1 HA THR 1 1.630 16.232 7.228 5 HB THR 1 HB THR 1 -0.622 14.224 7.577 6 HG1 THR 1 HG1 THR 1 -1.911 16.035 7.547 7 1HG2 THR 1 HG2 THR 1 0.030 14.413 9.756 8 2HG2 THR 1 HG2 THR 1 -0.827 15.952 9.659 9 3HG2 THR 1 HG2 THR 1 0.925 15.905 9.463 10 H ARG 2 HN ARG 2 0.689 12.789 7.480 11 HA ARG 2 HA ARG 2 3.250 12.228 8.875 12 1HB ARG 2 HB2 ARG 2 0.769 10.558 8.348 13 2HB ARG 2 HB1 ARG 2 2.085 10.122 9.438 14 1HG ARG 2 HG2 ARG 2 1.617 12.357 10.625 15 2HG ARG 2 HG1 ARG 2 0.105 12.385 9.717 16 1HD ARG 2 HD2 ARG 2 -0.417 10.095 10.647 17 2HD ARG 2 HD1 ARG 2 1.007 10.264 11.693 18 HE ARG 2 HE ARG 2 -1.056 12.415 11.715 19 1HH1 ARG 2 HH1 ARG 2 -1.444 9.680 13.220 20 2HH1 ARG 2 HH1 ARG 2 -1.011 10.176 14.821 21 1HH2 ARG 2 HH2 ARG 2 0.436 13.155 13.793 22 2HH2 ARG 2 HH2 ARG 2 0.055 12.143 15.147 23 H GLY 3 HN GLY 3 4.881 11.902 7.353 24 1HA GLY 3 HA2 GLY 3 4.260 10.078 5.066 25 2HA GLY 3 HA1 GLY 3 5.543 11.290 5.047 26 H SER 4 HN SER 4 7.086 9.610 4.535 27 HA SER 4 HA SER 4 8.083 8.217 6.959 28 1HB SER 4 HB2 SER 4 6.384 6.839 5.525 29 2HB SER 4 HB1 SER 4 7.716 6.701 4.380 30 HG SER 4 HG SER 4 7.557 5.002 6.013 31 H ASP 5 HN ASP 5 9.902 6.578 5.386 32 HA ASP 5 HA ASP 5 11.424 8.270 3.571 33 1HB ASP 5 HB2 ASP 5 11.762 8.489 6.439 34 2HB ASP 5 HB1 ASP 5 13.256 7.920 5.693 35 H ILE 6 HN ILE 6 11.491 5.532 5.849 36 HA ILE 6 HA ILE 6 13.360 4.089 4.013 37 HB ILE 6 HB ILE 6 12.499 3.601 6.883 38 1HG1 ILE 6 HG1 ILE 6 15.243 4.436 5.974 39 2HG1 ILE 6 HG1 ILE 6 13.986 5.654 6.190 40 1HG2 ILE 6 HG2 ILE 6 13.201 1.494 6.255 41 2HG2 ILE 6 HG2 ILE 6 14.771 2.204 6.627 42 3HG2 ILE 6 HG2 ILE 6 14.221 2.108 4.954 43 1HD1 ILE 6 HD1 ILE 6 13.611 4.480 8.504 44 2HD1 ILE 6 HD1 ILE 6 14.969 5.588 8.316 45 3HD1 ILE 6 HD1 ILE 6 15.236 3.846 8.245 46 H SER 7 HN SER 7 10.612 4.337 3.224 47 HA SER 7 HA SER 7 9.634 1.545 3.652 48 1HB SER 7 HB2 SER 7 7.929 3.923 2.928 49 2HB SER 7 HB1 SER 7 7.435 2.417 3.694 50 HG SER 7 HG SER 7 8.339 3.067 5.571 51 H LYS 8 HN LYS 8 11.362 3.000 1.466 52 HA LYS 8 HA LYS 8 9.708 2.816 -0.938 53 1HB LYS 8 HB2 LYS 8 12.412 3.630 -0.112 54 2HB LYS 8 HB1 LYS 8 12.363 2.876 -1.706 55 1HG LYS 8 HG2 LYS 8 10.648 4.445 -2.444 56 2HG LYS 8 HG1 LYS 8 10.566 5.156 -0.832 57 1HD LYS 8 HD2 LYS 8 13.054 5.680 -1.084 58 2HD LYS 8 HD1 LYS 8 12.872 5.261 -2.787 59 1HE LYS 8 HE2 LYS 8 12.400 7.524 -2.945 60 2HE LYS 8 HE1 LYS 8 10.772 6.960 -2.519 61 1HZ LYS 8 HZ1 LYS 8 12.879 7.893 -0.644 62 2HZ LYS 8 HZ2 LYS 8 11.417 7.178 -0.157 63 3HZ LYS 8 HZ3 LYS 8 11.407 8.665 -0.979 64 H THR 9 HN THR 9 9.055 0.765 -1.505 65 HA THR 9 HA THR 9 11.115 -1.231 -2.157 66 HB THR 9 HB THR 9 9.029 -1.676 0.004 67 HG1 THR 9 HG1 THR 9 10.662 -1.499 1.373 68 1HG2 THR 9 HG2 THR 9 9.710 -3.604 -1.627 69 2HG2 THR 9 HG2 THR 9 9.706 -3.909 0.109 70 3HG2 THR 9 HG2 THR 9 11.226 -3.589 -0.726 71 H CYS 10 HN CYS 10 10.350 -1.595 -4.233 72 HA CYS 10 HA CYS 10 7.657 -1.416 -5.104 73 1HB CYS 10 HB2 CYS 10 9.959 -3.112 -6.140 74 2HB CYS 10 HB1 CYS 10 8.539 -2.635 -7.070 75 H CYS 11 HN CYS 11 6.707 -3.656 -6.195 76 HA CYS 11 HA CYS 11 6.767 -5.757 -4.057 77 1HB CYS 11 HB2 CYS 11 4.426 -4.331 -5.335 78 2HB CYS 11 HB1 CYS 11 4.243 -5.842 -4.447 79 H PHE 12 HN PHE 12 5.618 -7.792 -4.871 80 HA PHE 12 HA PHE 12 5.946 -8.176 -7.811 81 1HB PHE 12 HB2 PHE 12 7.175 -9.597 -5.470 82 2HB PHE 12 HB1 PHE 12 6.839 -10.515 -6.938 83 HD1 PHE 12 HD1 PHE 12 7.485 -9.047 -9.179 84 HD2 PHE 12 HD2 PHE 12 9.335 -8.764 -5.313 85 HE1 PHE 12 HE1 PHE 12 9.536 -8.125 -10.228 86 HE2 PHE 12 HE2 PHE 12 11.386 -7.844 -6.361 87 HZ PHE 12 HZ PHE 12 11.486 -7.524 -8.818 88 H GLN 13 HN GLN 13 4.802 -9.732 -4.796 89 HA GLN 13 HA GLN 13 2.666 -11.128 -6.295 90 1HB GLN 13 HB2 GLN 13 3.617 -11.165 -3.413 91 2HB GLN 13 HB1 GLN 13 2.340 -12.205 -4.046 92 1HG GLN 13 HG2 GLN 13 4.041 -12.965 -5.807 93 2HG GLN 13 HG1 GLN 13 5.264 -12.176 -4.810 94 1HE2 GLN 13 HE2 GLN 13 5.185 -12.892 -2.382 95 2HE2 GLN 13 HE2 GLN 13 4.872 -14.534 -2.089 96 H TYR 14 HN TYR 14 0.403 -10.864 -5.628 97 HA TYR 14 HA TYR 14 -0.163 -8.416 -4.024 98 1HB TYR 14 HB2 TYR 14 -1.398 -9.109 -6.707 99 2HB TYR 14 HB1 TYR 14 -1.668 -7.635 -5.779 100 HD1 TYR 14 HD1 TYR 14 0.017 -8.850 -8.533 101 HD2 TYR 14 HD2 TYR 14 0.749 -6.545 -4.983 102 HE1 TYR 14 HE1 TYR 14 1.994 -7.813 -9.614 103 HE2 TYR 14 HE2 TYR 14 2.726 -5.509 -6.063 104 HH TYR 14 HH TYR 14 4.219 -6.715 -8.705 105 H SER 15 HN SER 15 -1.579 -9.006 -2.431 106 HA SER 15 HA SER 15 -3.184 -11.466 -2.720 107 1HB SER 15 HB2 SER 15 -2.202 -9.663 -0.587 108 2HB SER 15 HB1 SER 15 -3.768 -10.406 -0.276 109 HG SER 15 HG SER 15 -1.971 -11.689 0.420 110 H HIS 16 HN HIS 16 -5.379 -11.453 -3.107 111 HA HIS 16 HA HIS 16 -6.731 -8.785 -3.280 112 1HB HIS 16 HB2 HIS 16 -7.310 -11.473 -4.569 113 2HB HIS 16 HB1 HIS 16 -8.229 -9.996 -4.860 114 HD1 HIS 16 HD1 HIS 16 -5.949 -7.959 -5.100 115 HD2 HIS 16 HD2 HIS 16 -5.868 -11.699 -6.937 116 HE1 HIS 16 HE1 HIS 16 -4.324 -7.771 -7.034 117 H LYS 17 HN LYS 17 -6.944 -9.127 -0.800 118 HA LYS 17 HA LYS 17 -9.505 -10.557 -0.275 119 1HB LYS 17 HB2 LYS 17 -6.943 -11.454 0.430 120 2HB LYS 17 HB1 LYS 17 -7.594 -10.758 1.913 121 1HG LYS 17 HG2 LYS 17 -9.750 -12.167 0.894 122 2HG LYS 17 HG1 LYS 17 -8.379 -13.206 0.506 123 1HD LYS 17 HD2 LYS 17 -7.798 -13.508 2.738 124 2HD LYS 17 HD1 LYS 17 -8.554 -11.996 3.245 125 1HE LYS 17 HE2 LYS 17 -10.801 -13.044 2.694 126 2HE LYS 17 HE1 LYS 17 -9.945 -14.586 2.495 127 1HZ LYS 17 HZ1 LYS 17 -10.588 -14.465 4.759 128 2HZ LYS 17 HZ2 LYS 17 -10.035 -12.865 4.911 129 3HZ LYS 17 HZ3 LYS 17 -8.924 -14.137 4.721 130 HA PRO 18 HA PRO 18 -10.300 -6.793 1.902 131 1HB PRO 18 HB2 PRO 18 -12.439 -7.592 3.403 132 2HB PRO 18 HB1 PRO 18 -12.547 -7.288 1.657 133 1HG PRO 18 HG2 PRO 18 -12.401 -9.861 3.122 134 2HG PRO 18 HG1 PRO 18 -13.265 -9.453 1.634 135 1HD PRO 18 HD2 PRO 18 -10.872 -10.832 1.747 136 2HD PRO 18 HD1 PRO 18 -11.479 -9.963 0.321 137 H LEU 19 HN LEU 19 -8.538 -6.516 3.327 138 HA LEU 19 HA LEU 19 -8.019 -8.199 5.618 139 1HB LEU 19 HB2 LEU 19 -6.768 -6.190 4.168 140 2HB LEU 19 HB1 LEU 19 -7.091 -5.413 5.717 141 HG LEU 19 HG LEU 19 -6.082 -8.149 6.011 142 1HD1 LEU 19 HD1 LEU 19 -4.776 -6.335 4.126 143 2HD1 LEU 19 HD1 LEU 19 -4.453 -8.040 4.446 144 3HD1 LEU 19 HD1 LEU 19 -3.711 -6.798 5.453 145 1HD2 LEU 19 HD2 LEU 19 -5.210 -7.231 7.905 146 2HD2 LEU 19 HD2 LEU 19 -6.247 -5.856 7.521 147 3HD2 LEU 19 HD2 LEU 19 -4.550 -5.843 7.037 148 HA PRO 20 HA PRO 20 -10.980 -6.509 8.428 149 1HB PRO 20 HB2 PRO 20 -9.687 -6.958 10.806 150 2HB PRO 20 HB1 PRO 20 -10.470 -8.249 9.871 151 1HG PRO 20 HG2 PRO 20 -7.590 -7.492 10.006 152 2HG PRO 20 HG1 PRO 20 -8.332 -9.101 9.979 153 1HD PRO 20 HD2 PRO 20 -7.210 -7.979 7.787 154 2HD PRO 20 HD1 PRO 20 -8.594 -9.089 7.693 155 H TRP 21 HN TRP 21 -11.102 -4.290 8.277 156 HA TRP 21 HA TRP 21 -9.158 -2.339 8.300 157 1HB TRP 21 HB2 TRP 21 -11.932 -2.346 9.517 158 2HB TRP 21 HB1 TRP 21 -11.006 -0.877 9.196 159 HD1 TRP 21 HD1 TRP 21 -13.032 -3.565 7.504 160 HE1 TRP 21 HE1 TRP 21 -13.243 -3.027 4.990 161 HE3 TRP 21 HE3 TRP 21 -9.710 0.294 7.150 162 HZ2 TRP 21 HZ2 TRP 21 -12.139 -1.201 3.083 163 HZ3 TRP 21 HZ3 TRP 21 -9.307 1.412 4.977 164 HH2 TRP 21 HH2 TRP 21 -10.516 0.670 2.945 165 H THR 22 HN THR 22 -10.424 -4.018 11.145 166 HA THR 22 HA THR 22 -9.485 -2.315 13.198 167 HB THR 22 HB THR 22 -9.210 -4.688 14.330 168 HG1 THR 22 HG1 THR 22 -9.642 -6.301 13.074 169 1HG2 THR 22 HG2 THR 22 -11.550 -4.701 14.768 170 2HG2 THR 22 HG2 THR 22 -11.919 -3.968 13.208 171 3HG2 THR 22 HG2 THR 22 -11.144 -3.011 14.471 172 H TRP 23 HN TRP 23 -7.757 -4.566 11.121 173 HA TRP 23 HA TRP 23 -5.235 -4.089 12.623 174 1HB TRP 23 HB2 TRP 23 -6.426 -6.219 10.946 175 2HB TRP 23 HB1 TRP 23 -4.695 -5.975 10.727 176 HD1 TRP 23 HD1 TRP 23 -6.281 -5.317 14.126 177 HE1 TRP 23 HE1 TRP 23 -5.433 -7.083 15.801 178 HE3 TRP 23 HE3 TRP 23 -3.809 -8.447 10.935 179 HZ2 TRP 23 HZ2 TRP 23 -3.906 -9.502 15.791 180 HZ3 TRP 23 HZ3 TRP 23 -2.669 -10.473 11.794 181 HH2 TRP 23 HH2 TRP 23 -2.715 -11.005 14.215 182 H VAL 24 HN VAL 24 -6.859 -2.714 10.045 183 HA VAL 24 HA VAL 24 -4.502 -2.423 8.286 184 HB VAL 24 HB VAL 24 -7.230 -1.105 8.115 185 1HG1 VAL 24 HG1 VAL 24 -5.000 -0.551 6.690 186 2HG1 VAL 24 HG1 VAL 24 -6.620 -0.472 5.994 187 3HG1 VAL 24 HG1 VAL 24 -5.620 -1.905 5.745 188 1HG2 VAL 24 HG2 VAL 24 -7.714 -3.019 6.521 189 2HG2 VAL 24 HG2 VAL 24 -7.607 -3.487 8.217 190 3HG2 VAL 24 HG2 VAL 24 -6.256 -3.805 7.131 191 H ARG 25 HN ARG 25 -3.503 -0.321 7.877 192 HA ARG 25 HA ARG 25 -4.191 1.802 9.870 193 1HB ARG 25 HB2 ARG 25 -2.290 0.122 10.466 194 2HB ARG 25 HB1 ARG 25 -1.347 1.024 9.279 195 1HG ARG 25 HG2 ARG 25 -2.613 2.985 10.840 196 2HG ARG 25 HG1 ARG 25 -2.059 1.770 11.992 197 1HD ARG 25 HD2 ARG 25 0.095 1.999 10.251 198 2HD ARG 25 HD1 ARG 25 -0.483 3.669 10.418 199 HE ARG 25 HE ARG 25 -0.523 3.073 12.972 200 1HH1 ARG 25 HH1 ARG 25 0.860 0.407 12.127 201 2HH1 ARG 25 HH1 ARG 25 2.493 0.761 12.585 202 1HH2 ARG 25 HH2 ARG 25 1.940 4.169 12.917 203 2HH2 ARG 25 HH2 ARG 25 3.104 2.891 13.033 204 H SER 26 HN SER 26 -1.965 1.126 7.097 205 HA SER 26 HA SER 26 -2.876 3.668 5.852 206 1HB SER 26 HB2 SER 26 -0.595 4.551 5.799 207 2HB SER 26 HB1 SER 26 -1.058 4.205 7.463 208 HG SER 26 HG SER 26 0.998 3.252 6.099 209 H TYR 27 HN TYR 27 -0.834 3.883 3.961 210 HA TYR 27 HA TYR 27 -0.435 1.286 2.639 211 1HB TYR 27 HB2 TYR 27 -1.992 1.608 0.902 212 2HB TYR 27 HB1 TYR 27 -2.858 2.249 2.292 213 HD1 TYR 27 HD1 TYR 27 -0.944 3.128 -0.752 214 HD2 TYR 27 HD2 TYR 27 -3.321 4.615 2.500 215 HE1 TYR 27 HE1 TYR 27 -1.120 5.327 -1.884 216 HE2 TYR 27 HE2 TYR 27 -3.499 6.811 1.370 217 HH TYR 27 HH TYR 27 -1.532 7.778 -1.087 218 H GLU 28 HN GLU 28 0.376 1.960 0.198 219 HA GLU 28 HA GLU 28 1.678 4.471 -0.186 220 1HB GLU 28 HB2 GLU 28 4.058 3.553 0.283 221 2HB GLU 28 HB1 GLU 28 3.074 3.996 1.676 222 1HG GLU 28 HG2 GLU 28 2.884 1.835 2.391 223 2HG GLU 28 HG1 GLU 28 2.760 1.202 0.751 224 H PHE 29 HN PHE 29 2.441 4.560 -2.297 225 HA PHE 29 HA PHE 29 2.022 2.215 -3.999 226 1HB PHE 29 HB2 PHE 29 2.082 5.038 -4.205 227 2HB PHE 29 HB1 PHE 29 3.367 4.443 -5.257 228 HD1 PHE 29 HD1 PHE 29 2.847 2.779 -7.052 229 HD2 PHE 29 HD2 PHE 29 -0.230 4.672 -4.729 230 HE1 PHE 29 HE1 PHE 29 1.159 2.101 -8.739 231 HE2 PHE 29 HE2 PHE 29 -1.921 3.994 -6.413 232 HZ PHE 29 HZ PHE 29 -1.227 2.708 -8.419 233 H THR 30 HN THR 30 3.825 1.709 -5.666 234 HA THR 30 HA THR 30 6.330 1.197 -4.177 235 HB THR 30 HB THR 30 6.719 -0.180 -6.335 236 HG1 THR 30 HG1 THR 30 5.246 0.851 -7.649 237 1HG2 THR 30 HG2 THR 30 4.249 -0.809 -4.697 238 2HG2 THR 30 HG2 THR 30 5.901 -1.091 -4.147 239 3HG2 THR 30 HG2 THR 30 5.277 -1.963 -5.546 240 H SER 31 HN SER 31 8.411 1.472 -5.502 241 HA SER 31 HA SER 31 8.663 4.213 -6.391 242 1HB SER 31 HB2 SER 31 10.357 2.599 -5.283 243 2HB SER 31 HB1 SER 31 10.596 1.946 -6.901 244 HG SER 31 HG SER 31 11.305 4.406 -5.823 245 H ASN 32 HN ASN 32 9.030 4.972 -8.540 246 HA ASN 32 HA ASN 32 7.768 3.360 -10.656 247 1HB ASN 32 HB2 ASN 32 8.526 6.153 -10.094 248 2HB ASN 32 HB1 ASN 32 8.710 5.690 -11.786 249 1HD2 ASN 32 HD2 ASN 32 6.832 6.920 -12.489 250 2HD2 ASN 32 HD2 ASN 32 5.253 6.448 -12.082 251 H SER 33 HN SER 33 9.836 1.825 -10.183 252 HA SER 33 HA SER 33 11.498 1.959 -12.540 253 1HB SER 33 HB2 SER 33 13.623 2.482 -11.350 254 2HB SER 33 HB1 SER 33 12.475 3.814 -11.255 255 HG SER 33 HG SER 33 13.641 2.617 -9.267 256 H CYS 34 HN CYS 34 9.976 -0.114 -11.518 257 HA CYS 34 HA CYS 34 12.071 -2.059 -10.627 258 1HB CYS 34 HB2 CYS 34 9.356 -1.433 -9.492 259 2HB CYS 34 HB1 CYS 34 10.093 -3.018 -9.243 260 H SER 35 HN SER 35 11.182 -4.381 -10.945 261 HA SER 35 HA SER 35 10.599 -4.901 -13.642 262 1HB SER 35 HB2 SER 35 11.107 -6.311 -11.320 263 2HB SER 35 HB1 SER 35 9.468 -6.816 -11.719 264 HG SER 35 HG SER 35 11.860 -7.144 -13.136 265 H GLN 36 HN GLN 36 8.342 -4.367 -10.942 266 HA GLN 36 HA GLN 36 6.168 -3.897 -12.898 267 1HB GLN 36 HB2 GLN 36 6.603 -6.403 -11.745 268 2HB GLN 36 HB1 GLN 36 5.315 -5.702 -10.767 269 1HG GLN 36 HG2 GLN 36 5.213 -5.609 -13.780 270 2HG GLN 36 HG1 GLN 36 4.619 -7.010 -12.887 271 1HE2 GLN 36 HE2 GLN 36 2.363 -6.621 -13.356 272 2HE2 GLN 36 HE2 GLN 36 1.525 -5.289 -12.721 273 H ARG 37 HN ARG 37 5.253 -2.014 -12.175 274 HA ARG 37 HA ARG 37 5.615 -0.995 -9.491 275 1HB ARG 37 HB2 ARG 37 4.109 -0.288 -11.984 276 2HB ARG 37 HB1 ARG 37 3.669 0.535 -10.487 277 1HG ARG 37 HG2 ARG 37 5.926 1.338 -10.184 278 2HG ARG 37 HG1 ARG 37 6.510 0.354 -11.526 279 1HD ARG 37 HD2 ARG 37 4.276 2.157 -12.237 280 2HD ARG 37 HD1 ARG 37 5.780 2.983 -11.782 281 HE ARG 37 HE ARG 37 6.928 1.437 -13.449 282 1HH1 ARG 37 HH1 ARG 37 4.875 3.528 -14.580 283 2HH1 ARG 37 HH1 ARG 37 4.162 2.575 -15.837 284 1HH2 ARG 37 HH2 ARG 37 5.443 -0.423 -14.657 285 2HH2 ARG 37 HH2 ARG 37 4.483 0.339 -15.882 286 H ALA 38 HN ALA 38 3.825 -0.607 -7.940 287 HA ALA 38 HA ALA 38 1.268 -1.962 -8.271 288 1HB ALA 38 HB1 ALA 38 3.622 -3.317 -7.115 289 2HB ALA 38 HB2 ALA 38 2.153 -4.012 -7.799 290 3HB ALA 38 HB3 ALA 38 2.163 -3.433 -6.133 291 H VAL 39 HN VAL 39 0.330 -2.239 -5.837 292 HA VAL 39 HA VAL 39 0.956 0.315 -4.380 293 HB VAL 39 HB VAL 39 -1.640 -1.196 -4.832 294 1HG1 VAL 39 HG1 VAL 39 -1.976 -0.280 -2.716 295 2HG1 VAL 39 HG1 VAL 39 -2.501 1.050 -3.748 296 3HG1 VAL 39 HG1 VAL 39 -0.894 1.079 -3.022 297 1HG2 VAL 39 HG2 VAL 39 -1.188 0.017 -6.797 298 2HG2 VAL 39 HG2 VAL 39 -0.427 1.341 -5.914 299 3HG2 VAL 39 HG2 VAL 39 -2.179 1.139 -5.865 300 H ILE 40 HN ILE 40 0.472 0.152 -2.001 301 HA ILE 40 HA ILE 40 0.620 -2.648 -0.964 302 HB ILE 40 HB ILE 40 2.395 -0.256 -0.438 303 1HG1 ILE 40 HG1 ILE 40 3.397 -3.028 -0.853 304 2HG1 ILE 40 HG1 ILE 40 2.676 -2.224 -2.248 305 1HG2 ILE 40 HG2 ILE 40 2.048 -2.766 1.211 306 2HG2 ILE 40 HG2 ILE 40 1.931 -1.094 1.757 307 3HG2 ILE 40 HG2 ILE 40 3.496 -1.763 1.291 308 1HD1 ILE 40 HD1 ILE 40 4.543 -1.000 -2.530 309 2HD1 ILE 40 HD1 ILE 40 5.285 -1.838 -1.166 310 3HD1 ILE 40 HD1 ILE 40 4.377 -0.351 -0.898 311 H PHE 41 HN PHE 41 -0.002 -2.752 1.354 312 HA PHE 41 HA PHE 41 -1.564 -0.416 2.364 313 1HB PHE 41 HB2 PHE 41 -2.500 -3.254 1.829 314 2HB PHE 41 HB1 PHE 41 -3.366 -2.177 2.926 315 HD1 PHE 41 HD1 PHE 41 -3.560 -3.387 -0.254 316 HD2 PHE 41 HD2 PHE 41 -3.380 0.398 1.768 317 HE1 PHE 41 HE1 PHE 41 -4.666 -2.299 -2.187 318 HE2 PHE 41 HE2 PHE 41 -4.483 1.487 -0.165 319 HZ PHE 41 HZ PHE 41 -5.128 0.138 -2.145 320 H THR 42 HN THR 42 -0.809 -0.087 4.445 321 HA THR 42 HA THR 42 0.632 -2.294 5.779 322 HB THR 42 HB THR 42 0.305 0.479 6.860 323 HG1 THR 42 HG1 THR 42 1.831 -0.322 4.616 324 1HG2 THR 42 HG2 THR 42 2.938 -0.196 6.961 325 2HG2 THR 42 HG2 THR 42 2.183 -1.788 7.048 326 3HG2 THR 42 HG2 THR 42 1.782 -0.556 8.244 327 H THR 43 HN THR 43 0.194 -2.966 7.912 328 HA THR 43 HA THR 43 -2.662 -2.715 8.708 329 HB THR 43 HB THR 43 -2.144 -4.755 9.991 330 HG1 THR 43 HG1 THR 43 -0.123 -5.418 10.256 331 1HG2 THR 43 HG2 THR 43 -2.368 -5.966 8.107 332 2HG2 THR 43 HG2 THR 43 -0.732 -5.559 7.589 333 3HG2 THR 43 HG2 THR 43 -2.072 -4.482 7.200 334 H LYS 44 HN LYS 44 -2.526 -3.243 11.389 335 HA LYS 44 HA LYS 44 -1.530 -0.701 12.482 336 1HB LYS 44 HB2 LYS 44 -3.251 -3.002 13.326 337 2HB LYS 44 HB1 LYS 44 -2.590 -1.948 14.578 338 1HG LYS 44 HG2 LYS 44 -3.799 -0.603 12.215 339 2HG LYS 44 HG1 LYS 44 -4.913 -1.413 13.318 340 1HD LYS 44 HD2 LYS 44 -3.973 -0.166 15.214 341 2HD LYS 44 HD1 LYS 44 -2.823 0.626 14.137 342 1HE LYS 44 HE2 LYS 44 -4.913 1.408 12.806 343 2HE LYS 44 HE1 LYS 44 -5.817 0.986 14.275 344 1HZ LYS 44 HZ1 LYS 44 -4.875 3.324 14.169 345 2HZ LYS 44 HZ2 LYS 44 -3.344 2.613 14.358 346 3HZ LYS 44 HZ3 LYS 44 -4.524 2.430 15.567 347 H ARG 45 HN ARG 45 -0.273 -3.870 12.123 348 HA ARG 45 HA ARG 45 1.388 -3.759 14.569 349 1HB ARG 45 HB2 ARG 45 0.449 -5.705 12.611 350 2HB ARG 45 HB1 ARG 45 2.175 -5.888 12.926 351 1HG ARG 45 HG2 ARG 45 0.451 -5.459 15.307 352 2HG ARG 45 HG1 ARG 45 0.277 -7.014 14.489 353 1HD ARG 45 HD2 ARG 45 3.046 -5.989 15.054 354 2HD ARG 45 HD1 ARG 45 2.117 -6.741 16.366 355 HE ARG 45 HE ARG 45 2.972 -8.090 13.867 356 1HH1 ARG 45 HH1 ARG 45 3.597 -9.239 16.534 357 2HH1 ARG 45 HH1 ARG 45 2.369 -10.447 16.721 358 1HH2 ARG 45 HH2 ARG 45 0.343 -9.159 14.221 359 2HH2 ARG 45 HH2 ARG 45 0.529 -10.403 15.412 360 H GLY 46 HN GLY 46 1.612 -2.961 11.187 361 1HA GLY 46 HA2 GLY 46 3.484 -1.417 10.589 362 2HA GLY 46 HA1 GLY 46 4.537 -2.450 11.556 363 H LYS 47 HN LYS 47 2.521 -4.578 10.064 364 HA LYS 47 HA LYS 47 4.561 -5.339 8.109 365 1HB LYS 47 HB2 LYS 47 2.948 -6.744 9.654 366 2HB LYS 47 HB1 LYS 47 1.807 -6.526 8.326 367 1HG LYS 47 HG2 LYS 47 3.714 -7.343 6.793 368 2HG LYS 47 HG1 LYS 47 4.496 -7.898 8.275 369 1HD LYS 47 HD2 LYS 47 2.679 -9.367 8.793 370 2HD LYS 47 HD1 LYS 47 1.656 -8.647 7.548 371 1HE LYS 47 HE2 LYS 47 2.621 -9.877 5.875 372 2HE LYS 47 HE1 LYS 47 4.245 -9.727 6.577 373 1HZ LYS 47 HZ1 LYS 47 2.049 -11.461 7.578 374 2HZ LYS 47 HZ2 LYS 47 3.543 -11.246 8.356 375 3HZ LYS 47 HZ3 LYS 47 3.476 -11.986 6.828 376 H LYS 48 HN LYS 48 4.592 -4.481 6.061 377 HA LYS 48 HA LYS 48 2.153 -3.151 5.009 378 1HB LYS 48 HB2 LYS 48 4.933 -3.330 3.816 379 2HB LYS 48 HB1 LYS 48 3.687 -2.139 3.449 380 1HG LYS 48 HG2 LYS 48 3.915 -1.801 6.139 381 2HG LYS 48 HG1 LYS 48 5.567 -2.257 5.731 382 1HD LYS 48 HD2 LYS 48 4.118 -0.187 4.094 383 2HD LYS 48 HD1 LYS 48 4.904 0.265 5.607 384 1HE LYS 48 HE2 LYS 48 6.606 -1.420 3.904 385 2HE LYS 48 HE1 LYS 48 6.181 0.132 3.157 386 1HZ LYS 48 HZ1 LYS 48 7.450 -0.349 5.787 387 2HZ LYS 48 HZ2 LYS 48 6.670 1.117 5.430 388 3HZ LYS 48 HZ3 LYS 48 8.010 0.619 4.512 389 H VAL 49 HN VAL 49 0.843 -4.208 3.580 390 HA VAL 49 HA VAL 49 1.848 -6.723 2.317 391 HB VAL 49 HB VAL 49 -0.930 -5.552 2.687 392 1HG1 VAL 49 HG1 VAL 49 -1.794 -7.578 1.824 393 2HG1 VAL 49 HG1 VAL 49 -0.240 -8.401 1.966 394 3HG1 VAL 49 HG1 VAL 49 -0.478 -7.175 0.722 395 1HG2 VAL 49 HG2 VAL 49 0.553 -7.768 4.140 396 2HG2 VAL 49 HG2 VAL 49 -1.140 -7.348 4.397 397 3HG2 VAL 49 HG2 VAL 49 0.127 -6.192 4.810 398 H CYS 50 HN CYS 50 2.105 -6.833 0.098 399 HA CYS 50 HA CYS 50 1.806 -4.374 -1.477 400 1HB CYS 50 HB2 CYS 50 2.802 -7.187 -1.974 401 2HB CYS 50 HB1 CYS 50 2.737 -5.977 -3.254 402 H THR 51 HN THR 51 0.566 -4.314 -3.488 403 HA THR 51 HA THR 51 -1.492 -6.375 -3.956 404 HB THR 51 HB THR 51 -3.244 -4.453 -3.728 405 HG1 THR 51 HG1 THR 51 -1.266 -3.474 -1.968 406 1HG2 THR 51 HG2 THR 51 -2.524 -6.471 -2.091 407 2HG2 THR 51 HG2 THR 51 -3.785 -5.311 -1.677 408 3HG2 THR 51 HG2 THR 51 -2.153 -5.102 -1.043 409 H HIS 52 HN HIS 52 -3.164 -4.879 -5.621 410 HA HIS 52 HA HIS 52 -1.285 -3.765 -7.658 411 1HB HIS 52 HB2 HIS 52 -2.805 -6.122 -7.719 412 2HB HIS 52 HB1 HIS 52 -3.688 -4.987 -8.740 413 HD1 HIS 52 HD1 HIS 52 0.072 -5.441 -8.262 414 HD2 HIS 52 HD2 HIS 52 -2.785 -5.524 -11.297 415 HE1 HIS 52 HE1 HIS 52 1.340 -5.767 -10.431 416 HA PRO 53 HA PRO 53 -4.114 -0.348 -7.481 417 1HB PRO 53 HB2 PRO 53 -3.194 1.041 -9.648 418 2HB PRO 53 HB1 PRO 53 -2.329 0.987 -8.099 419 1HG PRO 53 HG2 PRO 53 -1.787 -0.476 -10.621 420 2HG PRO 53 HG1 PRO 53 -0.658 0.160 -9.417 421 1HD PRO 53 HD2 PRO 53 -1.393 -2.491 -9.644 422 2HD PRO 53 HD1 PRO 53 -0.729 -1.744 -8.176 423 H ARG 54 HN ARG 54 -3.810 -2.507 -10.183 424 HA ARG 54 HA ARG 54 -5.764 -1.408 -11.960 425 1HB ARG 54 HB2 ARG 54 -3.989 -3.359 -12.122 426 2HB ARG 54 HB1 ARG 54 -5.343 -4.357 -11.593 427 1HG ARG 54 HG2 ARG 54 -6.675 -3.705 -13.478 428 2HG ARG 54 HG1 ARG 54 -5.527 -2.443 -13.929 429 1HD ARG 54 HD2 ARG 54 -3.906 -4.666 -13.910 430 2HD ARG 54 HD1 ARG 54 -5.439 -5.334 -14.507 431 HE ARG 54 HE ARG 54 -5.055 -2.866 -15.828 432 1HH1 ARG 54 HH1 ARG 54 -2.311 -4.499 -15.478 433 2HH1 ARG 54 HH1 ARG 54 -2.178 -5.108 -17.095 434 1HH2 ARG 54 HH2 ARG 54 -5.431 -4.275 -17.961 435 2HH2 ARG 54 HH2 ARG 54 -3.944 -4.982 -18.499 436 H LYS 55 HN LYS 55 -6.067 -3.545 -9.138 437 HA LYS 55 HA LYS 55 -8.854 -4.199 -9.560 438 1HB LYS 55 HB2 LYS 55 -6.698 -4.750 -7.745 439 2HB LYS 55 HB1 LYS 55 -8.130 -4.320 -6.807 440 1HG LYS 55 HG2 LYS 55 -8.665 -6.518 -7.112 441 2HG LYS 55 HG1 LYS 55 -9.242 -5.948 -8.679 442 1HD LYS 55 HD2 LYS 55 -6.422 -6.935 -8.174 443 2HD LYS 55 HD1 LYS 55 -7.714 -7.938 -8.833 444 1HE LYS 55 HE2 LYS 55 -7.748 -5.569 -10.374 445 2HE LYS 55 HE1 LYS 55 -6.040 -6.028 -10.220 446 1HZ LYS 55 HZ1 LYS 55 -8.259 -7.854 -10.984 447 2HZ LYS 55 HZ2 LYS 55 -6.625 -8.294 -10.821 448 3HZ LYS 55 HZ3 LYS 55 -7.100 -7.219 -12.049 449 H LYS 56 HN LYS 56 -10.608 -2.934 -9.160 450 HA LYS 56 HA LYS 56 -10.487 -0.207 -8.410 451 1HB LYS 56 HB2 LYS 56 -12.614 -2.342 -8.460 452 2HB LYS 56 HB1 LYS 56 -13.002 -0.701 -7.942 453 1HG LYS 56 HG2 LYS 56 -11.414 -0.717 -10.390 454 2HG LYS 56 HG1 LYS 56 -12.924 -1.611 -10.579 455 1HD LYS 56 HD2 LYS 56 -14.240 0.271 -9.945 456 2HD LYS 56 HD1 LYS 56 -12.834 1.138 -9.327 457 1HE LYS 56 HE2 LYS 56 -11.958 1.480 -11.544 458 2HE LYS 56 HE1 LYS 56 -13.150 0.367 -12.246 459 1HZ LYS 56 HZ1 LYS 56 -14.033 2.524 -12.533 460 2HZ LYS 56 HZ2 LYS 56 -13.655 2.984 -10.941 461 3HZ LYS 56 HZ3 LYS 56 -14.887 1.850 -11.233 462 H TRP 57 HN TRP 57 -11.377 -3.050 -6.404 463 HA TRP 57 HA TRP 57 -11.976 -1.723 -4.005 464 1HB TRP 57 HB2 TRP 57 -11.894 -3.868 -3.108 465 2HB TRP 57 HB1 TRP 57 -11.964 -4.254 -4.823 466 HD1 TRP 57 HD1 TRP 57 -9.944 -5.505 -5.861 467 HE1 TRP 57 HE1 TRP 57 -7.706 -6.386 -4.929 468 HE3 TRP 57 HE3 TRP 57 -9.987 -3.309 -1.255 469 HZ2 TRP 57 HZ2 TRP 57 -6.143 -6.171 -2.540 470 HZ3 TRP 57 HZ3 TRP 57 -8.116 -3.668 0.327 471 HH2 TRP 57 HH2 TRP 57 -6.195 -5.096 -0.308 472 H VAL 58 HN VAL 58 -8.798 -2.445 -5.397 473 HA VAL 58 HA VAL 58 -7.181 -1.843 -3.104 474 HB VAL 58 HB VAL 58 -6.682 -1.489 -6.080 475 1HG1 VAL 58 HG1 VAL 58 -4.505 -1.042 -5.603 476 2HG1 VAL 58 HG1 VAL 58 -4.460 -2.215 -4.287 477 3HG1 VAL 58 HG1 VAL 58 -5.109 -0.600 -4.006 478 1HG2 VAL 58 HG2 VAL 58 -7.395 -3.785 -4.902 479 2HG2 VAL 58 HG2 VAL 58 -5.681 -3.811 -4.491 480 3HG2 VAL 58 HG2 VAL 58 -6.183 -3.741 -6.179 481 H GLN 59 HN GLN 59 -8.112 0.236 -5.887 482 HA GLN 59 HA GLN 59 -6.961 2.654 -4.945 483 1HB GLN 59 HB2 GLN 59 -9.392 1.991 -6.636 484 2HB GLN 59 HB1 GLN 59 -8.804 3.642 -6.427 485 1HG GLN 59 HG2 GLN 59 -7.195 1.322 -7.536 486 2HG GLN 59 HG1 GLN 59 -7.879 2.645 -8.482 487 1HE2 GLN 59 HE2 GLN 59 -7.231 4.936 -7.287 488 2HE2 GLN 59 HE2 GLN 59 -5.571 5.071 -6.965 489 H LYS 60 HN LYS 60 -9.955 0.992 -4.169 490 HA LYS 60 HA LYS 60 -11.221 3.122 -2.719 491 1HB LYS 60 HB2 LYS 60 -11.908 0.657 -3.623 492 2HB LYS 60 HB1 LYS 60 -11.642 0.290 -1.919 493 1HG LYS 60 HG2 LYS 60 -13.949 0.903 -2.114 494 2HG LYS 60 HG1 LYS 60 -13.132 2.286 -1.385 495 1HD LYS 60 HD2 LYS 60 -13.442 3.609 -3.219 496 2HD LYS 60 HD1 LYS 60 -13.206 2.272 -4.346 497 1HE LYS 60 HE2 LYS 60 -15.443 1.962 -4.536 498 2HE LYS 60 HE1 LYS 60 -15.632 1.898 -2.773 499 1HZ LYS 60 HZ1 LYS 60 -15.328 4.364 -4.408 500 2HZ LYS 60 HZ2 LYS 60 -15.430 4.319 -2.712 501 3HZ LYS 60 HZ3 LYS 60 -16.757 3.841 -3.659 502 H TYR 61 HN TYR 61 -8.947 0.530 -1.831 503 HA TYR 61 HA TYR 61 -9.022 1.045 1.018 504 1HB TYR 61 HB2 TYR 61 -7.553 -0.571 -0.955 505 2HB TYR 61 HB1 TYR 61 -6.571 -0.092 0.431 506 HD1 TYR 61 HD1 TYR 61 -10.157 -1.092 -0.076 507 HD2 TYR 61 HD2 TYR 61 -6.502 -1.706 2.097 508 HE1 TYR 61 HE1 TYR 61 -11.276 -2.814 1.314 509 HE2 TYR 61 HE2 TYR 61 -7.621 -3.429 3.489 510 HH TYR 61 HH TYR 61 -10.946 -3.808 3.622 511 H ILE 62 HN ILE 62 -7.191 2.367 -1.693 512 HA ILE 62 HA ILE 62 -5.140 3.693 -0.180 513 HB ILE 62 HB ILE 62 -6.455 4.387 -2.830 514 1HG1 ILE 62 HG1 ILE 62 -5.535 2.054 -2.657 515 2HG1 ILE 62 HG1 ILE 62 -4.715 3.044 -3.860 516 1HG2 ILE 62 HG2 ILE 62 -3.667 5.026 -2.699 517 2HG2 ILE 62 HG2 ILE 62 -4.472 5.741 -1.302 518 3HG2 ILE 62 HG2 ILE 62 -5.033 6.119 -2.929 519 1HD1 ILE 62 HD1 ILE 62 -3.613 3.024 -1.079 520 2HD1 ILE 62 HD1 ILE 62 -2.771 3.186 -2.617 521 3HD1 ILE 62 HD1 ILE 62 -3.342 1.605 -2.086 522 H SER 63 HN SER 63 -8.396 4.670 -1.229 523 HA SER 63 HA SER 63 -8.164 7.363 -0.119 524 1HB SER 63 HB2 SER 63 -10.325 7.610 -1.020 525 2HB SER 63 HB1 SER 63 -9.618 6.379 -2.063 526 HG SER 63 HG SER 63 -11.108 5.077 -1.383 527 H LEU 64 HN LEU 64 -9.059 4.219 1.083 528 HA LEU 64 HA LEU 64 -10.531 5.299 3.407 529 1HB LEU 64 HB2 LEU 64 -9.740 2.551 2.407 530 2HB LEU 64 HB1 LEU 64 -10.598 2.795 3.930 531 HG LEU 64 HG LEU 64 -11.630 4.015 1.377 532 1HD1 LEU 64 HD1 LEU 64 -12.922 2.051 0.914 533 2HD1 LEU 64 HD1 LEU 64 -12.428 1.290 2.425 534 3HD1 LEU 64 HD1 LEU 64 -11.259 1.505 1.124 535 1HD2 LEU 64 HD2 LEU 64 -12.403 3.992 4.111 536 2HD2 LEU 64 HD2 LEU 64 -13.584 3.013 3.242 537 3HD2 LEU 64 HD2 LEU 64 -13.289 4.681 2.750 538 H LEU 65 HN LEU 65 -7.490 3.517 2.782 539 HA LEU 65 HA LEU 65 -6.533 3.246 5.410 540 1HB LEU 65 HB2 LEU 65 -5.448 3.430 2.665 541 2HB LEU 65 HB1 LEU 65 -4.287 3.782 3.944 542 HG LEU 65 HG LEU 65 -4.280 1.380 3.400 543 1HD1 LEU 65 HD1 LEU 65 -4.431 2.523 5.912 544 2HD1 LEU 65 HD1 LEU 65 -3.963 0.855 5.581 545 3HD1 LEU 65 HD1 LEU 65 -5.634 1.239 5.999 546 1HD2 LEU 65 HD2 LEU 65 -6.380 0.085 4.084 547 2HD2 LEU 65 HD2 LEU 65 -6.503 1.022 2.593 548 3HD2 LEU 65 HD2 LEU 65 -7.217 1.638 4.085 549 H LYS 66 HN LYS 66 -5.617 5.866 3.169 550 HA LYS 66 HA LYS 66 -5.677 7.802 5.419 551 1HB LYS 66 HB2 LYS 66 -3.380 6.530 4.776 552 2HB LYS 66 HB1 LYS 66 -3.306 7.858 3.618 553 1HG LYS 66 HG2 LYS 66 -2.358 8.970 5.374 554 2HG LYS 66 HG1 LYS 66 -4.039 9.220 5.844 555 1HD LYS 66 HD2 LYS 66 -3.209 8.322 7.810 556 2HD LYS 66 HD1 LYS 66 -3.715 6.844 6.990 557 1HE LYS 66 HE2 LYS 66 -1.578 6.105 7.157 558 2HE LYS 66 HE1 LYS 66 -1.093 7.411 6.056 559 1HZ LYS 66 HZ1 LYS 66 -1.255 8.891 8.107 560 2HZ LYS 66 HZ2 LYS 66 0.085 7.850 8.010 561 3HZ LYS 66 HZ3 LYS 66 -1.230 7.457 9.011 562 H THR 67 HN THR 67 -4.804 10.046 4.218 563 HA THR 67 HA THR 67 -6.875 10.818 2.427 564 HB THR 67 HB THR 67 -5.572 12.381 3.777 565 HG1 THR 67 HG1 THR 67 -4.985 13.844 2.086 566 1HG2 THR 67 HG2 THR 67 -3.391 11.824 4.025 567 2HG2 THR 67 HG2 THR 67 -3.142 12.720 2.526 568 3HG2 THR 67 HG2 THR 67 -3.343 10.969 2.484 569 HA PRO 68 HA PRO 68 -5.443 9.196 -1.402 570 1HB PRO 68 HB2 PRO 68 -6.614 10.954 -3.149 571 2HB PRO 68 HB1 PRO 68 -7.511 9.688 -2.287 572 1HG PRO 68 HG2 PRO 68 -7.335 12.599 -1.722 573 2HG PRO 68 HG1 PRO 68 -8.698 11.489 -1.534 574 1HD PRO 68 HD2 PRO 68 -7.129 12.368 0.540 575 2HD PRO 68 HD1 PRO 68 -8.061 10.856 0.558 576 H LYS 69 HN LYS 69 -5.442 12.773 -1.792 577 HA LYS 69 HA LYS 69 -2.548 12.951 -1.863 578 1HB LYS 69 HB2 LYS 69 -3.482 11.721 -4.026 579 2HB LYS 69 HB1 LYS 69 -3.818 13.372 -4.546 580 1HG LYS 69 HG2 LYS 69 -1.622 12.889 -5.343 581 2HG LYS 69 HG1 LYS 69 -1.395 13.911 -3.922 582 1HD LYS 69 HD2 LYS 69 -0.065 12.294 -3.087 583 2HD LYS 69 HD1 LYS 69 -1.511 11.300 -2.908 584 1HE LYS 69 HE2 LYS 69 -0.309 11.394 -5.635 585 2HE LYS 69 HE1 LYS 69 0.588 10.494 -4.395 586 1HZ LYS 69 HZ1 LYS 69 -1.190 9.191 -5.566 587 2HZ LYS 69 HZ2 LYS 69 -2.334 10.199 -4.817 588 3HZ LYS 69 HZ3 LYS 69 -1.317 9.217 -3.875 589 H GLN 70 HN GLN 70 -4.744 14.413 -0.643 590 HA GLN 70 HA GLN 70 -5.038 16.932 -2.143 591 1HB GLN 70 HB2 GLN 70 -6.137 15.586 0.255 592 2HB GLN 70 HB1 GLN 70 -6.065 17.346 0.355 593 1HG GLN 70 HG2 GLN 70 -7.154 17.367 -1.967 594 2HG GLN 70 HG1 GLN 70 -7.499 15.659 -1.700 595 1HE2 GLN 70 HE2 GLN 70 -9.503 17.833 -1.889 596 2HE2 GLN 70 HE2 GLN 70 -10.325 17.854 -0.405 597 H LEU 71 HN LEU 71 -3.759 18.725 -1.824 598 HA LEU 71 HA LEU 71 -2.308 19.152 0.695 599 1HB LEU 71 HB2 LEU 71 -1.075 17.423 -0.805 600 2HB LEU 71 HB1 LEU 71 -0.686 18.808 -1.828 601 HG LEU 71 HG LEU 71 0.037 19.875 0.502 602 1HD1 LEU 71 HD1 LEU 71 -0.568 17.192 1.204 603 2HD1 LEU 71 HD1 LEU 71 0.166 18.430 2.223 604 3HD1 LEU 71 HD1 LEU 71 1.187 17.353 1.271 605 1HD2 LEU 71 HD2 LEU 71 2.062 19.762 -0.489 606 2HD2 LEU 71 HD2 LEU 71 1.342 18.687 -1.687 607 3HD2 LEU 71 HD2 LEU 71 2.133 18.015 -0.261 Start of MODEL 16 1 1H THR 1 HT1 THR 1 1.968 13.581 -8.600 2 2H THR 1 HT2 THR 1 2.866 13.477 -7.162 3 3H THR 1 HT3 THR 1 3.281 12.511 -8.498 4 HA THR 1 HA THR 1 3.751 14.612 -9.764 5 HB THR 1 HB THR 1 3.768 15.863 -7.025 6 HG1 THR 1 HG1 THR 1 1.636 16.549 -7.453 7 1HG2 THR 1 HG2 THR 1 3.095 17.830 -8.637 8 2HG2 THR 1 HG2 THR 1 3.726 16.759 -9.889 9 3HG2 THR 1 HG2 THR 1 4.772 17.288 -8.570 10 H ARG 2 HN ARG 2 4.814 14.180 -6.355 11 HA ARG 2 HA ARG 2 7.440 13.189 -7.297 12 1HB ARG 2 HB2 ARG 2 6.982 15.905 -6.916 13 2HB ARG 2 HB1 ARG 2 7.721 15.402 -5.395 14 1HG ARG 2 HG2 ARG 2 9.707 15.551 -6.460 15 2HG ARG 2 HG1 ARG 2 9.234 14.087 -7.325 16 1HD ARG 2 HD2 ARG 2 7.958 15.758 -8.912 17 2HD ARG 2 HD1 ARG 2 9.096 16.947 -8.246 18 HE ARG 2 HE ARG 2 10.841 15.027 -8.839 19 1HH1 ARG 2 HH1 ARG 2 8.454 13.820 -10.449 20 2HH1 ARG 2 HH1 ARG 2 8.893 14.321 -12.048 21 1HH2 ARG 2 HH2 ARG 2 11.244 16.628 -10.967 22 2HH2 ARG 2 HH2 ARG 2 10.472 15.909 -12.341 23 H GLY 3 HN GLY 3 6.843 11.284 -6.061 24 1HA GLY 3 HA2 GLY 3 6.934 11.722 -3.102 25 2HA GLY 3 HA1 GLY 3 5.920 10.479 -3.835 26 H SER 4 HN SER 4 9.057 11.215 -2.667 27 HA SER 4 HA SER 4 9.905 8.423 -3.079 28 1HB SER 4 HB2 SER 4 10.464 10.326 -5.020 29 2HB SER 4 HB1 SER 4 11.936 10.307 -4.052 30 HG SER 4 HG SER 4 12.220 8.676 -5.458 31 H ASP 5 HN ASP 5 10.282 8.192 -0.855 32 HA ASP 5 HA ASP 5 12.638 9.572 0.239 33 1HB ASP 5 HB2 ASP 5 10.197 10.773 0.523 34 2HB ASP 5 HB1 ASP 5 10.256 9.785 1.983 35 H ILE 6 HN ILE 6 9.779 7.860 1.568 36 HA ILE 6 HA ILE 6 11.665 5.800 2.673 37 HB ILE 6 HB ILE 6 9.040 6.843 3.789 38 1HG1 ILE 6 HG1 ILE 6 11.834 7.346 4.842 39 2HG1 ILE 6 HG1 ILE 6 11.025 8.461 3.739 40 1HG2 ILE 6 HG2 ILE 6 10.111 5.700 5.884 41 2HG2 ILE 6 HG2 ILE 6 11.065 4.812 4.696 42 3HG2 ILE 6 HG2 ILE 6 9.305 4.694 4.682 43 1HD1 ILE 6 HD1 ILE 6 9.301 7.658 5.958 44 2HD1 ILE 6 HD1 ILE 6 9.702 9.275 5.381 45 3HD1 ILE 6 HD1 ILE 6 10.776 8.450 6.510 46 H SER 7 HN SER 7 10.544 5.475 0.099 47 HA SER 7 HA SER 7 8.621 3.248 0.603 48 1HB SER 7 HB2 SER 7 7.990 5.689 -0.489 49 2HB SER 7 HB1 SER 7 8.348 4.739 -1.928 50 HG SER 7 HG SER 7 6.233 4.365 -1.479 51 H LYS 8 HN LYS 8 11.624 3.515 -0.010 52 HA LYS 8 HA LYS 8 12.048 2.579 -2.709 53 1HB LYS 8 HB2 LYS 8 14.317 2.054 -1.774 54 2HB LYS 8 HB1 LYS 8 13.775 3.692 -1.407 55 1HG LYS 8 HG2 LYS 8 13.349 3.192 0.836 56 2HG LYS 8 HG1 LYS 8 13.194 1.463 0.524 57 1HD LYS 8 HD2 LYS 8 15.802 2.190 -0.302 58 2HD LYS 8 HD1 LYS 8 15.546 2.950 1.269 59 1HE LYS 8 HE2 LYS 8 14.685 0.096 0.934 60 2HE LYS 8 HE1 LYS 8 16.414 0.442 1.135 61 1HZ LYS 8 HZ1 LYS 8 14.380 1.711 2.862 62 2HZ LYS 8 HZ2 LYS 8 16.047 1.536 3.142 63 3HZ LYS 8 HZ3 LYS 8 15.018 0.188 3.245 64 H THR 9 HN THR 9 10.133 0.932 -2.355 65 HA THR 9 HA THR 9 11.402 -1.708 -1.871 66 HB THR 9 HB THR 9 8.727 -1.060 -0.665 67 HG1 THR 9 HG1 THR 9 9.952 -0.566 1.268 68 1HG2 THR 9 HG2 THR 9 9.541 -3.392 -0.764 69 2HG2 THR 9 HG2 THR 9 9.408 -2.823 0.900 70 3HG2 THR 9 HG2 THR 9 10.988 -2.913 0.121 71 H CYS 10 HN CYS 10 10.716 -3.133 -3.444 72 HA CYS 10 HA CYS 10 8.650 -2.255 -5.357 73 1HB CYS 10 HB2 CYS 10 10.818 -4.280 -5.146 74 2HB CYS 10 HB1 CYS 10 9.452 -4.715 -6.172 75 H CYS 11 HN CYS 11 7.471 -4.608 -6.131 76 HA CYS 11 HA CYS 11 6.288 -5.865 -3.706 77 1HB CYS 11 HB2 CYS 11 5.008 -3.993 -5.639 78 2HB CYS 11 HB1 CYS 11 4.041 -5.368 -5.106 79 H PHE 12 HN PHE 12 6.626 -8.016 -4.180 80 HA PHE 12 HA PHE 12 6.064 -8.937 -6.965 81 1HB PHE 12 HB2 PHE 12 7.635 -10.823 -6.302 82 2HB PHE 12 HB1 PHE 12 8.384 -9.230 -6.386 83 HD1 PHE 12 HD1 PHE 12 7.165 -11.885 -4.129 84 HD2 PHE 12 HD2 PHE 12 9.114 -8.065 -4.384 85 HE1 PHE 12 HE1 PHE 12 7.865 -12.082 -1.759 86 HE2 PHE 12 HE2 PHE 12 9.813 -8.262 -2.014 87 HZ PHE 12 HZ PHE 12 9.188 -10.271 -0.700 88 H GLN 13 HN GLN 13 3.957 -8.616 -5.101 89 HA GLN 13 HA GLN 13 2.808 -11.282 -5.103 90 1HB GLN 13 HB2 GLN 13 4.539 -11.082 -3.145 91 2HB GLN 13 HB1 GLN 13 3.285 -10.114 -2.366 92 1HG GLN 13 HG2 GLN 13 2.412 -12.076 -1.664 93 2HG GLN 13 HG1 GLN 13 1.884 -12.303 -3.332 94 1HE2 GLN 13 HE2 GLN 13 4.038 -13.485 -0.880 95 2HE2 GLN 13 HE2 GLN 13 4.836 -14.636 -1.837 96 H TYR 14 HN TYR 14 0.577 -11.021 -5.117 97 HA TYR 14 HA TYR 14 -0.528 -8.472 -4.025 98 1HB TYR 14 HB2 TYR 14 -1.225 -9.824 -6.651 99 2HB TYR 14 HB1 TYR 14 -1.900 -8.306 -6.056 100 HD1 TYR 14 HD1 TYR 14 0.272 -6.779 -5.037 101 HD2 TYR 14 HD2 TYR 14 0.249 -9.430 -8.418 102 HE1 TYR 14 HE1 TYR 14 2.182 -5.542 -6.021 103 HE2 TYR 14 HE2 TYR 14 2.160 -8.191 -9.401 104 HH TYR 14 HH TYR 14 3.033 -5.254 -8.638 105 H SER 15 HN SER 15 -2.076 -8.958 -2.530 106 HA SER 15 HA SER 15 -3.246 -11.654 -2.410 107 1HB SER 15 HB2 SER 15 -2.668 -9.449 -0.669 108 2HB SER 15 HB1 SER 15 -4.385 -9.826 -0.536 109 HG SER 15 HG SER 15 -3.884 -11.628 0.419 110 H HIS 16 HN HIS 16 -5.795 -11.053 -1.407 111 HA HIS 16 HA HIS 16 -7.262 -9.249 -3.161 112 1HB HIS 16 HB2 HIS 16 -8.384 -11.055 -4.441 113 2HB HIS 16 HB1 HIS 16 -6.643 -11.057 -4.722 114 HD1 HIS 16 HD1 HIS 16 -5.247 -12.842 -3.241 115 HD2 HIS 16 HD2 HIS 16 -9.368 -13.447 -3.414 116 HE1 HIS 16 HE1 HIS 16 -5.654 -15.218 -2.466 117 H LYS 17 HN LYS 17 -7.644 -9.002 -0.636 118 HA LYS 17 HA LYS 17 -10.281 -10.163 -0.069 119 1HB LYS 17 HB2 LYS 17 -7.750 -11.193 1.025 120 2HB LYS 17 HB1 LYS 17 -8.953 -10.823 2.261 121 1HG LYS 17 HG2 LYS 17 -10.264 -12.132 0.071 122 2HG LYS 17 HG1 LYS 17 -8.863 -13.092 0.548 123 1HD LYS 17 HD2 LYS 17 -9.710 -12.691 2.980 124 2HD LYS 17 HD1 LYS 17 -11.241 -12.281 2.205 125 1HE LYS 17 HE2 LYS 17 -9.831 -14.823 1.416 126 2HE LYS 17 HE1 LYS 17 -10.803 -14.781 2.898 127 1HZ LYS 17 HZ1 LYS 17 -12.095 -13.461 0.694 128 2HZ LYS 17 HZ2 LYS 17 -12.688 -14.668 1.733 129 3HZ LYS 17 HZ3 LYS 17 -11.779 -15.095 0.364 130 HA PRO 18 HA PRO 18 -10.494 -6.278 2.014 131 1HB PRO 18 HB2 PRO 18 -12.701 -6.713 3.573 132 2HB PRO 18 HB1 PRO 18 -12.795 -6.434 1.821 133 1HG PRO 18 HG2 PRO 18 -12.951 -8.981 3.343 134 2HG PRO 18 HG1 PRO 18 -13.841 -8.467 1.902 135 1HD PRO 18 HD2 PRO 18 -11.710 -10.180 1.840 136 2HD PRO 18 HD1 PRO 18 -12.184 -9.140 0.479 137 H LEU 19 HN LEU 19 -8.751 -6.117 3.431 138 HA LEU 19 HA LEU 19 -8.366 -7.829 5.741 139 1HB LEU 19 HB2 LEU 19 -6.890 -6.089 4.202 140 2HB LEU 19 HB1 LEU 19 -7.110 -5.159 5.683 141 HG LEU 19 HG LEU 19 -6.454 -7.952 6.226 142 1HD1 LEU 19 HD1 LEU 19 -4.926 -8.194 4.561 143 2HD1 LEU 19 HD1 LEU 19 -3.933 -7.116 5.543 144 3HD1 LEU 19 HD1 LEU 19 -4.892 -6.466 4.214 145 1HD2 LEU 19 HD2 LEU 19 -4.912 -5.441 6.918 146 2HD2 LEU 19 HD2 LEU 19 -4.991 -6.951 7.826 147 3HD2 LEU 19 HD2 LEU 19 -6.397 -5.889 7.756 148 HA PRO 20 HA PRO 20 -10.971 -5.720 8.617 149 1HB PRO 20 HB2 PRO 20 -9.614 -6.237 10.947 150 2HB PRO 20 HB1 PRO 20 -10.592 -7.451 10.104 151 1HG PRO 20 HG2 PRO 20 -7.641 -7.046 10.072 152 2HG PRO 20 HG1 PRO 20 -8.571 -8.551 10.142 153 1HD PRO 20 HD2 PRO 20 -7.435 -7.644 7.863 154 2HD PRO 20 HD1 PRO 20 -8.946 -8.579 7.871 155 H TRP 21 HN TRP 21 -10.915 -3.521 8.479 156 HA TRP 21 HA TRP 21 -8.773 -1.786 8.272 157 1HB TRP 21 HB2 TRP 21 -11.486 -1.480 9.568 158 2HB TRP 21 HB1 TRP 21 -10.426 -0.110 9.219 159 HD1 TRP 21 HD1 TRP 21 -12.703 -2.626 7.573 160 HE1 TRP 21 HE1 TRP 21 -12.878 -2.102 5.054 161 HE3 TRP 21 HE3 TRP 21 -9.065 0.926 7.163 162 HZ2 TRP 21 HZ2 TRP 21 -11.625 -0.400 3.122 163 HZ3 TRP 21 HZ3 TRP 21 -8.578 1.984 4.979 164 HH2 TRP 21 HH2 TRP 21 -9.853 1.325 2.957 165 H THR 22 HN THR 22 -10.151 -3.010 11.330 166 HA THR 22 HA THR 22 -8.805 -1.334 13.158 167 HB THR 22 HB THR 22 -10.512 -3.022 13.692 168 HG1 THR 22 HG1 THR 22 -9.401 -3.925 15.520 169 1HG2 THR 22 HG2 THR 22 -8.344 -5.081 13.268 170 2HG2 THR 22 HG2 THR 22 -9.579 -4.709 12.066 171 3HG2 THR 22 HG2 THR 22 -10.045 -5.373 13.630 172 H TRP 23 HN TRP 23 -7.633 -4.250 11.486 173 HA TRP 23 HA TRP 23 -4.965 -3.992 12.727 174 1HB TRP 23 HB2 TRP 23 -6.576 -5.974 11.258 175 2HB TRP 23 HB1 TRP 23 -4.862 -5.998 10.850 176 HD1 TRP 23 HD1 TRP 23 -6.269 -5.135 14.316 177 HE1 TRP 23 HE1 TRP 23 -5.392 -6.873 16.008 178 HE3 TRP 23 HE3 TRP 23 -3.901 -8.346 11.131 179 HZ2 TRP 23 HZ2 TRP 23 -3.883 -9.305 16.008 180 HZ3 TRP 23 HZ3 TRP 23 -2.752 -10.362 12.001 181 HH2 TRP 23 HH2 TRP 23 -2.740 -10.845 14.433 182 H VAL 24 HN VAL 24 -6.477 -2.409 10.266 183 HA VAL 24 HA VAL 24 -4.198 -2.508 8.370 184 HB VAL 24 HB VAL 24 -6.929 -1.193 8.268 185 1HG1 VAL 24 HG1 VAL 24 -6.374 -0.311 6.243 186 2HG1 VAL 24 HG1 VAL 24 -5.426 -1.726 5.782 187 3HG1 VAL 24 HG1 VAL 24 -4.714 -0.485 6.814 188 1HG2 VAL 24 HG2 VAL 24 -6.081 -3.901 7.929 189 2HG2 VAL 24 HG2 VAL 24 -6.507 -3.273 6.336 190 3HG2 VAL 24 HG2 VAL 24 -7.685 -3.229 7.646 191 H ARG 25 HN ARG 25 -2.659 -0.910 8.436 192 HA ARG 25 HA ARG 25 -3.134 1.425 10.211 193 1HB ARG 25 HB2 ARG 25 -1.132 0.009 10.471 194 2HB ARG 25 HB1 ARG 25 -0.664 0.360 8.806 195 1HG ARG 25 HG2 ARG 25 0.418 2.186 9.557 196 2HG ARG 25 HG1 ARG 25 -1.143 2.865 10.016 197 1HD ARG 25 HD2 ARG 25 -0.565 2.690 12.198 198 2HD ARG 25 HD1 ARG 25 -0.389 0.935 12.005 199 HE ARG 25 HE ARG 25 1.930 1.634 10.952 200 1HH1 ARG 25 HH1 ARG 25 1.099 1.616 14.078 201 2HH1 ARG 25 HH1 ARG 25 2.158 2.879 14.611 202 1HH2 ARG 25 HH2 ARG 25 2.949 3.936 11.405 203 2HH2 ARG 25 HH2 ARG 25 3.205 4.192 13.099 204 H SER 26 HN SER 26 -1.579 0.955 6.991 205 HA SER 26 HA SER 26 -3.112 3.217 5.887 206 1HB SER 26 HB2 SER 26 -1.132 4.625 5.580 207 2HB SER 26 HB1 SER 26 -1.309 4.230 7.286 208 HG SER 26 HG SER 26 0.806 3.872 5.893 209 H TYR 27 HN TYR 27 -1.204 3.800 3.818 210 HA TYR 27 HA TYR 27 -0.661 1.198 2.511 211 1HB TYR 27 HB2 TYR 27 -2.411 1.356 1.052 212 2HB TYR 27 HB1 TYR 27 -3.068 2.522 2.189 213 HD1 TYR 27 HD1 TYR 27 -1.848 1.997 -1.147 214 HD2 TYR 27 HD2 TYR 27 -2.465 5.001 1.859 215 HE1 TYR 27 HE1 TYR 27 -1.709 3.762 -2.882 216 HE2 TYR 27 HE2 TYR 27 -2.327 6.767 0.125 217 HH TYR 27 HH TYR 27 -1.457 7.108 -2.084 218 H GLU 28 HN GLU 28 0.191 1.882 0.103 219 HA GLU 28 HA GLU 28 1.513 4.404 -0.227 220 1HB GLU 28 HB2 GLU 28 3.841 3.589 0.279 221 2HB GLU 28 HB1 GLU 28 2.811 3.674 1.706 222 1HG GLU 28 HG2 GLU 28 2.385 1.285 1.606 223 2HG GLU 28 HG1 GLU 28 3.262 1.159 0.081 224 H PHE 29 HN PHE 29 2.384 4.511 -2.322 225 HA PHE 29 HA PHE 29 1.951 2.139 -4.037 226 1HB PHE 29 HB2 PHE 29 1.540 4.846 -4.276 227 2HB PHE 29 HB1 PHE 29 3.047 4.636 -5.167 228 HD1 PHE 29 HD1 PHE 29 -0.518 4.263 -5.256 229 HD2 PHE 29 HD2 PHE 29 3.136 2.758 -6.940 230 HE1 PHE 29 HE1 PHE 29 -1.784 3.340 -7.177 231 HE2 PHE 29 HE2 PHE 29 1.869 1.834 -8.862 232 HZ PHE 29 HZ PHE 29 -0.592 2.124 -8.981 233 H THR 30 HN THR 30 3.655 1.280 -5.396 234 HA THR 30 HA THR 30 6.244 1.077 -4.162 235 HB THR 30 HB THR 30 6.745 0.005 -6.451 236 HG1 THR 30 HG1 THR 30 5.084 1.298 -7.489 237 1HG2 THR 30 HG2 THR 30 4.723 -1.710 -5.962 238 2HG2 THR 30 HG2 THR 30 4.695 -0.795 -4.454 239 3HG2 THR 30 HG2 THR 30 6.167 -1.628 -4.953 240 H SER 31 HN SER 31 8.259 1.526 -5.723 241 HA SER 31 HA SER 31 8.301 4.425 -6.180 242 1HB SER 31 HB2 SER 31 10.709 3.943 -6.595 243 2HB SER 31 HB1 SER 31 10.147 3.222 -5.089 244 HG SER 31 HG SER 31 11.204 1.617 -6.139 245 H ASN 32 HN ASN 32 9.797 4.894 -8.337 246 HA ASN 32 HA ASN 32 8.088 4.015 -10.589 247 1HB ASN 32 HB2 ASN 32 8.949 6.406 -9.972 248 2HB ASN 32 HB1 ASN 32 10.455 5.877 -10.723 249 1HD2 ASN 32 HD2 ASN 32 8.605 7.951 -11.769 250 2HD2 ASN 32 HD2 ASN 32 8.088 7.401 -13.290 251 H SER 33 HN SER 33 11.545 3.972 -9.673 252 HA SER 33 HA SER 33 12.508 2.620 -12.003 253 1HB SER 33 HB2 SER 33 13.753 3.872 -10.146 254 2HB SER 33 HB1 SER 33 13.586 2.408 -9.181 255 HG SER 33 HG SER 33 15.473 2.135 -10.223 256 H CYS 34 HN CYS 34 10.632 1.472 -9.335 257 HA CYS 34 HA CYS 34 11.437 -1.189 -8.992 258 1HB CYS 34 HB2 CYS 34 9.618 0.109 -7.818 259 2HB CYS 34 HB1 CYS 34 8.591 -0.162 -9.227 260 H SER 35 HN SER 35 10.804 -3.167 -10.037 261 HA SER 35 HA SER 35 10.550 -2.969 -12.946 262 1HB SER 35 HB2 SER 35 10.853 -5.136 -10.878 263 2HB SER 35 HB1 SER 35 10.512 -5.553 -12.554 264 HG SER 35 HG SER 35 12.378 -4.442 -13.158 265 H GLN 36 HN GLN 36 8.341 -3.253 -10.307 266 HA GLN 36 HA GLN 36 6.115 -3.681 -12.232 267 1HB GLN 36 HB2 GLN 36 7.238 -5.736 -10.727 268 2HB GLN 36 HB1 GLN 36 5.826 -5.257 -9.783 269 1HG GLN 36 HG2 GLN 36 4.685 -5.266 -12.204 270 2HG GLN 36 HG1 GLN 36 5.965 -6.438 -12.521 271 1HE2 GLN 36 HE2 GLN 36 6.134 -8.244 -10.769 272 2HE2 GLN 36 HE2 GLN 36 4.673 -8.824 -10.127 273 H ARG 37 HN ARG 37 5.415 -1.530 -11.746 274 HA ARG 37 HA ARG 37 5.194 -0.361 -9.172 275 1HB ARG 37 HB2 ARG 37 3.489 1.073 -10.338 276 2HB ARG 37 HB1 ARG 37 4.976 0.869 -11.267 277 1HG ARG 37 HG2 ARG 37 3.198 -1.292 -11.904 278 2HG ARG 37 HG1 ARG 37 2.321 0.231 -12.070 279 1HD ARG 37 HD2 ARG 37 5.038 0.389 -13.164 280 2HD ARG 37 HD1 ARG 37 4.034 -0.827 -13.980 281 HE ARG 37 HE ARG 37 2.267 1.038 -14.112 282 1HH1 ARG 37 HH1 ARG 37 4.362 1.395 -16.195 283 2HH1 ARG 37 HH1 ARG 37 4.849 3.040 -15.956 284 1HH2 ARG 37 HH2 ARG 37 3.449 3.276 -12.794 285 2HH2 ARG 37 HH2 ARG 37 4.333 4.105 -14.032 286 H ALA 38 HN ALA 38 3.747 -0.693 -7.508 287 HA ALA 38 HA ALA 38 1.125 -1.929 -8.018 288 1HB ALA 38 HB1 ALA 38 2.455 -3.429 -5.939 289 2HB ALA 38 HB2 ALA 38 3.426 -3.458 -7.411 290 3HB ALA 38 HB3 ALA 38 1.755 -4.021 -7.447 291 H VAL 39 HN VAL 39 -0.284 -1.739 -6.155 292 HA VAL 39 HA VAL 39 0.470 0.452 -4.327 293 HB VAL 39 HB VAL 39 -2.046 -1.163 -4.848 294 1HG1 VAL 39 HG1 VAL 39 -1.669 1.269 -3.069 295 2HG1 VAL 39 HG1 VAL 39 -1.987 -0.370 -2.501 296 3HG1 VAL 39 HG1 VAL 39 -3.208 0.489 -3.437 297 1HG2 VAL 39 HG2 VAL 39 -1.032 0.601 -6.509 298 2HG2 VAL 39 HG2 VAL 39 -1.652 1.776 -5.350 299 3HG2 VAL 39 HG2 VAL 39 -2.756 0.654 -6.143 300 H ILE 40 HN ILE 40 0.063 0.165 -1.945 301 HA ILE 40 HA ILE 40 0.331 -2.662 -1.023 302 HB ILE 40 HB ILE 40 2.127 -0.282 -0.520 303 1HG1 ILE 40 HG1 ILE 40 3.012 -3.084 -1.096 304 2HG1 ILE 40 HG1 ILE 40 2.376 -2.103 -2.416 305 1HG2 ILE 40 HG2 ILE 40 1.562 -1.365 1.655 306 2HG2 ILE 40 HG2 ILE 40 3.260 -1.559 1.219 307 3HG2 ILE 40 HG2 ILE 40 2.136 -2.901 1.003 308 1HD1 ILE 40 HD1 ILE 40 4.205 -0.524 -0.852 309 2HD1 ILE 40 HD1 ILE 40 4.311 -0.969 -2.554 310 3HD1 ILE 40 HD1 ILE 40 4.987 -2.033 -1.322 311 H PHE 41 HN PHE 41 -0.429 -2.984 1.124 312 HA PHE 41 HA PHE 41 -1.873 -0.673 2.379 313 1HB PHE 41 HB2 PHE 41 -2.705 -3.554 1.902 314 2HB PHE 41 HB1 PHE 41 -3.563 -2.489 3.017 315 HD1 PHE 41 HD1 PHE 41 -3.735 0.056 1.804 316 HD2 PHE 41 HD2 PHE 41 -3.857 -3.785 -0.109 317 HE1 PHE 41 HE1 PHE 41 -4.991 1.044 -0.092 318 HE2 PHE 41 HE2 PHE 41 -5.113 -2.799 -2.008 319 HZ PHE 41 HZ PHE 41 -5.680 -0.384 -1.999 320 H THR 42 HN THR 42 -0.707 -0.312 4.269 321 HA THR 42 HA THR 42 0.753 -2.530 5.517 322 HB THR 42 HB THR 42 0.556 0.145 6.803 323 HG1 THR 42 HG1 THR 42 0.907 1.140 5.006 324 1HG2 THR 42 HG2 THR 42 2.572 -1.978 6.265 325 2HG2 THR 42 HG2 THR 42 2.261 -1.067 7.743 326 3HG2 THR 42 HG2 THR 42 3.162 -0.324 6.421 327 H THR 43 HN THR 43 0.364 -3.383 7.574 328 HA THR 43 HA THR 43 -2.396 -3.018 8.603 329 HB THR 43 HB THR 43 -1.819 -5.105 9.845 330 HG1 THR 43 HG1 THR 43 0.207 -5.493 10.099 331 1HG2 THR 43 HG2 THR 43 -1.875 -6.531 7.950 332 2HG2 THR 43 HG2 THR 43 -0.984 -5.377 6.957 333 3HG2 THR 43 HG2 THR 43 -2.653 -5.040 7.419 334 H LYS 44 HN LYS 44 -2.395 -3.362 11.169 335 HA LYS 44 HA LYS 44 -0.872 -1.096 12.282 336 1HB LYS 44 HB2 LYS 44 -3.088 -2.935 13.180 337 2HB LYS 44 HB1 LYS 44 -2.328 -1.812 14.308 338 1HG LYS 44 HG2 LYS 44 -2.872 -0.349 11.936 339 2HG LYS 44 HG1 LYS 44 -4.330 -1.265 12.318 340 1HD LYS 44 HD2 LYS 44 -4.402 -0.350 14.554 341 2HD LYS 44 HD1 LYS 44 -2.825 0.412 14.344 342 1HE LYS 44 HE2 LYS 44 -4.415 1.310 12.177 343 2HE LYS 44 HE1 LYS 44 -5.417 1.459 13.635 344 1HZ LYS 44 HZ1 LYS 44 -2.609 2.397 13.370 345 2HZ LYS 44 HZ2 LYS 44 -3.572 2.528 14.763 346 3HZ LYS 44 HZ3 LYS 44 -3.979 3.396 13.361 347 H ARG 45 HN ARG 45 -0.639 -4.556 12.193 348 HA ARG 45 HA ARG 45 0.906 -4.821 14.669 349 1HB ARG 45 HB2 ARG 45 -0.648 -6.485 13.333 350 2HB ARG 45 HB1 ARG 45 0.831 -6.826 12.434 351 1HG ARG 45 HG2 ARG 45 1.999 -7.384 14.517 352 2HG ARG 45 HG1 ARG 45 0.554 -6.991 15.449 353 1HD ARG 45 HD2 ARG 45 -0.071 -8.874 13.319 354 2HD ARG 45 HD1 ARG 45 1.191 -9.507 14.394 355 HE ARG 45 HE ARG 45 -1.519 -8.621 15.273 356 1HH1 ARG 45 HH1 ARG 45 -0.171 -11.419 15.482 357 2HH1 ARG 45 HH1 ARG 45 0.155 -11.470 17.183 358 1HH2 ARG 45 HH2 ARG 45 -0.351 -8.069 17.646 359 2HH2 ARG 45 HH2 ARG 45 0.053 -9.572 18.408 360 H GLY 46 HN GLY 46 1.698 -3.442 11.750 361 1HA GLY 46 HA2 GLY 46 3.899 -2.692 11.169 362 2HA GLY 46 HA1 GLY 46 4.573 -3.937 12.221 363 H LYS 47 HN LYS 47 2.053 -4.773 9.964 364 HA LYS 47 HA LYS 47 4.074 -6.278 8.362 365 1HB LYS 47 HB2 LYS 47 1.806 -7.076 9.812 366 2HB LYS 47 HB1 LYS 47 1.312 -7.152 8.120 367 1HG LYS 47 HG2 LYS 47 2.528 -9.018 7.801 368 2HG LYS 47 HG1 LYS 47 3.979 -8.213 8.396 369 1HD LYS 47 HD2 LYS 47 3.713 -9.008 10.542 370 2HD LYS 47 HD1 LYS 47 1.954 -9.055 10.418 371 1HE LYS 47 HE2 LYS 47 1.999 -11.087 9.150 372 2HE LYS 47 HE1 LYS 47 3.747 -10.955 8.876 373 1HZ LYS 47 HZ1 LYS 47 3.925 -10.907 11.393 374 2HZ LYS 47 HZ2 LYS 47 3.546 -12.404 10.687 375 3HZ LYS 47 HZ3 LYS 47 2.327 -11.474 11.420 376 H LYS 48 HN LYS 48 4.304 -5.558 6.286 377 HA LYS 48 HA LYS 48 2.166 -3.818 5.134 378 1HB LYS 48 HB2 LYS 48 4.512 -3.001 5.357 379 2HB LYS 48 HB1 LYS 48 5.044 -4.316 4.307 380 1HG LYS 48 HG2 LYS 48 4.379 -3.223 2.443 381 2HG LYS 48 HG1 LYS 48 2.818 -2.813 3.155 382 1HD LYS 48 HD2 LYS 48 3.570 -0.687 3.257 383 2HD LYS 48 HD1 LYS 48 4.619 -1.231 4.566 384 1HE LYS 48 HE2 LYS 48 5.338 -1.182 1.612 385 2HE LYS 48 HE1 LYS 48 5.998 -0.125 2.876 386 1HZ LYS 48 HZ1 LYS 48 7.529 -1.858 2.745 387 2HZ LYS 48 HZ2 LYS 48 6.327 -3.046 2.567 388 3HZ LYS 48 HZ3 LYS 48 6.560 -2.286 4.069 389 H VAL 49 HN VAL 49 1.029 -4.495 3.338 390 HA VAL 49 HA VAL 49 1.882 -7.082 2.065 391 HB VAL 49 HB VAL 49 -0.898 -5.928 2.476 392 1HG1 VAL 49 HG1 VAL 49 0.064 -8.640 1.512 393 2HG1 VAL 49 HG1 VAL 49 -0.745 -7.416 0.532 394 3HG1 VAL 49 HG1 VAL 49 -1.618 -8.221 1.837 395 1HG2 VAL 49 HG2 VAL 49 -0.823 -8.166 3.990 396 2HG2 VAL 49 HG2 VAL 49 -0.417 -6.573 4.628 397 3HG2 VAL 49 HG2 VAL 49 0.864 -7.673 4.121 398 H CYS 50 HN CYS 50 2.035 -7.070 -0.177 399 HA CYS 50 HA CYS 50 1.773 -4.481 -1.562 400 1HB CYS 50 HB2 CYS 50 2.829 -7.238 -2.166 401 2HB CYS 50 HB1 CYS 50 2.614 -6.073 -3.470 402 H THR 51 HN THR 51 0.511 -4.267 -3.545 403 HA THR 51 HA THR 51 -1.546 -6.296 -4.147 404 HB THR 51 HB THR 51 -3.298 -4.401 -3.785 405 HG1 THR 51 HG1 THR 51 -2.177 -2.650 -3.313 406 1HG2 THR 51 HG2 THR 51 -3.827 -5.390 -1.791 407 2HG2 THR 51 HG2 THR 51 -2.195 -5.208 -1.149 408 3HG2 THR 51 HG2 THR 51 -2.560 -6.514 -2.279 409 H HIS 52 HN HIS 52 -3.010 -5.326 -5.988 410 HA HIS 52 HA HIS 52 -1.217 -3.859 -7.857 411 1HB HIS 52 HB2 HIS 52 -2.850 -6.157 -8.010 412 2HB HIS 52 HB1 HIS 52 -3.645 -4.935 -9.002 413 HD1 HIS 52 HD1 HIS 52 0.098 -5.365 -8.500 414 HD2 HIS 52 HD2 HIS 52 -2.744 -5.676 -11.533 415 HE1 HIS 52 HE1 HIS 52 1.383 -5.743 -10.650 416 HA PRO 53 HA PRO 53 -3.932 -0.385 -7.583 417 1HB PRO 53 HB2 PRO 53 -3.172 0.944 -9.844 418 2HB PRO 53 HB1 PRO 53 -2.164 0.872 -8.386 419 1HG PRO 53 HG2 PRO 53 -1.902 -0.605 -10.938 420 2HG PRO 53 HG1 PRO 53 -0.652 -0.045 -9.819 421 1HD PRO 53 HD2 PRO 53 -1.587 -2.655 -10.021 422 2HD PRO 53 HD1 PRO 53 -0.692 -1.983 -8.643 423 H ARG 54 HN ARG 54 -3.813 -2.347 -10.515 424 HA ARG 54 HA ARG 54 -6.022 -1.250 -11.930 425 1HB ARG 54 HB2 ARG 54 -4.267 -3.009 -12.592 426 2HB ARG 54 HB1 ARG 54 -5.296 -4.181 -11.767 427 1HG ARG 54 HG2 ARG 54 -7.214 -3.227 -13.215 428 2HG ARG 54 HG1 ARG 54 -5.936 -2.513 -14.198 429 1HD ARG 54 HD2 ARG 54 -5.013 -4.666 -14.730 430 2HD ARG 54 HD1 ARG 54 -6.028 -5.468 -13.514 431 HE ARG 54 HE ARG 54 -7.287 -3.997 -15.793 432 1HH1 ARG 54 HH2 ARG 54 -6.196 -7.064 -15.191 433 2HH1 ARG 54 HH2 ARG 54 -7.731 -7.853 -15.334 434 1HH2 ARG 54 HH1 ARG 54 -9.541 -4.897 -15.408 435 2HH2 ARG 54 HH1 ARG 54 -9.625 -6.626 -15.456 436 H LYS 55 HN LYS 55 -5.916 -3.753 -9.383 437 HA LYS 55 HA LYS 55 -8.616 -4.572 -9.417 438 1HB LYS 55 HB2 LYS 55 -6.303 -4.639 -7.675 439 2HB LYS 55 HB1 LYS 55 -7.774 -4.413 -6.727 440 1HG LYS 55 HG2 LYS 55 -8.348 -6.565 -7.034 441 2HG LYS 55 HG1 LYS 55 -8.257 -6.370 -8.784 442 1HD LYS 55 HD2 LYS 55 -5.759 -6.697 -7.128 443 2HD LYS 55 HD1 LYS 55 -6.673 -8.100 -7.681 444 1HE LYS 55 HE2 LYS 55 -6.093 -6.032 -9.744 445 2HE LYS 55 HE1 LYS 55 -4.714 -6.992 -9.173 446 1HZ LYS 55 HZ1 LYS 55 -5.814 -8.171 -10.946 447 2HZ LYS 55 HZ2 LYS 55 -7.313 -8.046 -10.157 448 3HZ LYS 55 HZ3 LYS 55 -6.075 -9.000 -9.490 449 H LYS 56 HN LYS 56 -10.430 -3.334 -9.200 450 HA LYS 56 HA LYS 56 -10.479 -0.589 -8.498 451 1HB LYS 56 HB2 LYS 56 -12.311 -2.789 -9.068 452 2HB LYS 56 HB1 LYS 56 -12.995 -1.648 -7.909 453 1HG LYS 56 HG2 LYS 56 -12.204 0.195 -9.528 454 2HG LYS 56 HG1 LYS 56 -12.009 -1.102 -10.709 455 1HD LYS 56 HD2 LYS 56 -14.267 -1.433 -10.922 456 2HD LYS 56 HD1 LYS 56 -14.584 -1.057 -9.228 457 1HE LYS 56 HE2 LYS 56 -14.923 1.162 -9.661 458 2HE LYS 56 HE1 LYS 56 -13.598 1.226 -10.841 459 1HZ LYS 56 HZ1 LYS 56 -15.830 1.415 -11.869 460 2HZ LYS 56 HZ2 LYS 56 -16.190 -0.149 -11.309 461 3HZ LYS 56 HZ3 LYS 56 -14.943 0.086 -12.439 462 H TRP 57 HN TRP 57 -11.138 -3.469 -6.473 463 HA TRP 57 HA TRP 57 -11.994 -2.146 -4.133 464 1HB TRP 57 HB2 TRP 57 -11.757 -4.259 -3.176 465 2HB TRP 57 HB1 TRP 57 -11.743 -4.682 -4.884 466 HD1 TRP 57 HD1 TRP 57 -9.673 -5.930 -5.759 467 HE1 TRP 57 HE1 TRP 57 -7.370 -6.548 -4.777 468 HE3 TRP 57 HE3 TRP 57 -9.840 -3.292 -1.390 469 HZ2 TRP 57 HZ2 TRP 57 -5.808 -5.991 -2.443 470 HZ3 TRP 57 HZ3 TRP 57 -7.932 -3.356 0.192 471 HH2 TRP 57 HH2 TRP 57 -5.919 -4.701 -0.330 472 H VAL 58 HN VAL 58 -8.717 -2.630 -5.380 473 HA VAL 58 HA VAL 58 -7.271 -1.844 -3.027 474 HB VAL 58 HB VAL 58 -6.599 -1.535 -5.969 475 1HG1 VAL 58 HG1 VAL 58 -4.433 -1.112 -5.357 476 2HG1 VAL 58 HG1 VAL 58 -4.534 -2.119 -3.914 477 3HG1 VAL 58 HG1 VAL 58 -5.210 -0.490 -3.901 478 1HG2 VAL 58 HG2 VAL 58 -5.901 -3.760 -5.983 479 2HG2 VAL 58 HG2 VAL 58 -7.307 -3.859 -4.928 480 3HG2 VAL 58 HG2 VAL 58 -5.687 -3.810 -4.234 481 H GLN 59 HN GLN 59 -8.306 0.028 -5.902 482 HA GLN 59 HA GLN 59 -7.322 2.563 -5.048 483 1HB GLN 59 HB2 GLN 59 -9.672 1.697 -6.766 484 2HB GLN 59 HB1 GLN 59 -9.127 3.371 -6.646 485 1HG GLN 59 HG2 GLN 59 -7.355 1.063 -7.491 486 2HG GLN 59 HG1 GLN 59 -8.161 2.156 -8.615 487 1HE2 GLN 59 HE2 GLN 59 -5.258 1.699 -6.974 488 2HE2 GLN 59 HE2 GLN 59 -4.682 3.295 -7.015 489 H LYS 60 HN LYS 60 -10.130 0.677 -4.154 490 HA LYS 60 HA LYS 60 -11.588 2.843 -2.889 491 1HB LYS 60 HB2 LYS 60 -12.496 0.654 -3.792 492 2HB LYS 60 HB1 LYS 60 -11.747 -0.147 -2.409 493 1HG LYS 60 HG2 LYS 60 -13.194 0.833 -0.878 494 2HG LYS 60 HG1 LYS 60 -13.515 2.222 -1.917 495 1HD LYS 60 HD2 LYS 60 -14.662 0.550 -3.506 496 2HD LYS 60 HD1 LYS 60 -14.624 -0.577 -2.149 497 1HE LYS 60 HE2 LYS 60 -15.818 1.130 -0.750 498 2HE LYS 60 HE1 LYS 60 -15.962 2.150 -2.195 499 1HZ LYS 60 HZ1 LYS 60 -17.863 0.547 -1.735 500 2HZ LYS 60 HZ2 LYS 60 -16.793 -0.689 -2.202 501 3HZ LYS 60 HZ3 LYS 60 -17.213 0.535 -3.302 502 H TYR 61 HN TYR 61 -9.244 0.380 -1.831 503 HA TYR 61 HA TYR 61 -9.504 1.055 0.998 504 1HB TYR 61 HB2 TYR 61 -8.009 -0.771 -0.763 505 2HB TYR 61 HB1 TYR 61 -7.101 -0.249 0.656 506 HD1 TYR 61 HD1 TYR 61 -7.524 -1.206 2.767 507 HD2 TYR 61 HD2 TYR 61 -10.417 -1.632 -0.380 508 HE1 TYR 61 HE1 TYR 61 -8.838 -2.759 4.183 509 HE2 TYR 61 HE2 TYR 61 -11.732 -3.185 1.037 510 HH TYR 61 HH TYR 61 -10.855 -3.788 4.405 511 H ILE 62 HN ILE 62 -7.433 2.032 -1.687 512 HA ILE 62 HA ILE 62 -5.414 3.399 -0.174 513 HB ILE 62 HB ILE 62 -6.549 3.799 -2.962 514 1HG1 ILE 62 HG1 ILE 62 -3.945 2.479 -2.201 515 2HG1 ILE 62 HG1 ILE 62 -5.452 1.563 -2.223 516 1HG2 ILE 62 HG2 ILE 62 -3.940 4.639 -3.045 517 2HG2 ILE 62 HG2 ILE 62 -4.437 5.206 -1.452 518 3HG2 ILE 62 HG2 ILE 62 -5.325 5.719 -2.887 519 1HD1 ILE 62 HD1 ILE 62 -5.476 1.479 -4.480 520 2HD1 ILE 62 HD1 ILE 62 -3.809 2.056 -4.419 521 3HD1 ILE 62 HD1 ILE 62 -5.133 3.203 -4.615 522 H SER 63 HN SER 63 -8.394 4.603 -1.765 523 HA SER 63 HA SER 63 -8.160 7.318 -0.889 524 1HB SER 63 HB2 SER 63 -9.666 6.190 -2.668 525 2HB SER 63 HB1 SER 63 -10.734 5.790 -1.326 526 HG SER 63 HG SER 63 -10.542 8.137 -0.827 527 H LEU 64 HN LEU 64 -9.705 4.457 0.566 528 HA LEU 64 HA LEU 64 -10.864 5.874 2.808 529 1HB LEU 64 HB2 LEU 64 -10.509 3.137 1.803 530 2HB LEU 64 HB1 LEU 64 -10.490 3.234 3.565 531 HG LEU 64 HG LEU 64 -12.579 4.831 3.140 532 1HD1 LEU 64 HD1 LEU 64 -13.905 4.104 1.233 533 2HD1 LEU 64 HD1 LEU 64 -12.680 2.916 0.792 534 3HD1 LEU 64 HD1 LEU 64 -12.326 4.639 0.655 535 1HD2 LEU 64 HD2 LEU 64 -12.332 1.862 3.358 536 2HD2 LEU 64 HD2 LEU 64 -13.934 2.525 3.040 537 3HD2 LEU 64 HD2 LEU 64 -13.049 3.012 4.486 538 H LEU 65 HN LEU 65 -8.002 3.695 2.606 539 HA LEU 65 HA LEU 65 -7.039 4.174 5.229 540 1HB LEU 65 HB2 LEU 65 -5.882 3.320 2.594 541 2HB LEU 65 HB1 LEU 65 -4.763 3.698 3.899 542 HG LEU 65 HG LEU 65 -6.979 1.626 3.948 543 1HD1 LEU 65 HD1 LEU 65 -4.424 1.422 2.976 544 2HD1 LEU 65 HD1 LEU 65 -5.351 0.070 3.621 545 3HD1 LEU 65 HD1 LEU 65 -4.200 0.921 4.651 546 1HD2 LEU 65 HD2 LEU 65 -5.705 3.088 6.109 547 2HD2 LEU 65 HD2 LEU 65 -5.336 1.368 6.218 548 3HD2 LEU 65 HD2 LEU 65 -7.015 1.909 6.186 549 H LYS 66 HN LYS 66 -5.266 5.438 2.436 550 HA LYS 66 HA LYS 66 -4.097 7.485 2.187 551 1HB LYS 66 HB2 LYS 66 -6.873 8.047 3.165 552 2HB LYS 66 HB1 LYS 66 -5.755 9.400 2.983 553 1HG LYS 66 HG2 LYS 66 -5.388 7.919 0.652 554 2HG LYS 66 HG1 LYS 66 -7.130 7.851 0.926 555 1HD LYS 66 HD2 LYS 66 -5.927 10.507 1.378 556 2HD LYS 66 HD1 LYS 66 -5.846 9.942 -0.292 557 1HE LYS 66 HE2 LYS 66 -8.341 9.373 -0.069 558 2HE LYS 66 HE1 LYS 66 -8.311 10.341 1.418 559 1HZ LYS 66 HZ1 LYS 66 -8.775 11.889 -0.250 560 2HZ LYS 66 HZ2 LYS 66 -7.672 11.194 -1.341 561 3HZ LYS 66 HZ3 LYS 66 -7.107 12.064 0.004 562 H THR 67 HN THR 67 -2.656 6.625 4.062 563 HA THR 67 HA THR 67 -2.582 8.707 6.167 564 HB THR 67 HB THR 67 -2.404 5.782 6.845 565 HG1 THR 67 HG1 THR 67 -4.727 7.388 7.006 566 1HG2 THR 67 HG2 THR 67 -3.568 7.546 8.818 567 2HG2 THR 67 HG2 THR 67 -2.010 8.170 8.273 568 3HG2 THR 67 HG2 THR 67 -2.123 6.542 8.941 569 HA PRO 68 HA PRO 68 1.498 7.124 4.407 570 1HB PRO 68 HB2 PRO 68 2.334 9.514 3.360 571 2HB PRO 68 HB1 PRO 68 1.382 8.333 2.438 572 1HG PRO 68 HG2 PRO 68 0.478 10.806 3.840 573 2HG PRO 68 HG1 PRO 68 -0.007 10.164 2.261 574 1HD PRO 68 HD2 PRO 68 -1.529 9.887 4.473 575 2HD PRO 68 HD1 PRO 68 -1.494 8.672 3.173 576 H LYS 69 HN LYS 69 0.337 9.553 6.539 577 HA LYS 69 HA LYS 69 2.826 9.428 8.111 578 1HB LYS 69 HB2 LYS 69 3.069 11.891 8.082 579 2HB LYS 69 HB1 LYS 69 3.168 11.238 6.446 580 1HG LYS 69 HG2 LYS 69 0.532 11.640 6.518 581 2HG LYS 69 HG1 LYS 69 0.995 12.851 7.715 582 1HD LYS 69 HD2 LYS 69 2.296 12.652 4.989 583 2HD LYS 69 HD1 LYS 69 0.904 13.685 5.316 584 1HE LYS 69 HE2 LYS 69 3.028 14.014 7.311 585 2HE LYS 69 HE1 LYS 69 3.549 14.436 5.668 586 1HZ LYS 69 HZ1 LYS 69 1.302 15.594 5.501 587 2HZ LYS 69 HZ2 LYS 69 2.498 16.355 6.439 588 3HZ LYS 69 HZ3 LYS 69 1.244 15.490 7.193 589 H GLN 70 HN GLN 70 2.483 10.451 10.281 590 HA GLN 70 HA GLN 70 -0.299 11.152 11.001 591 1HB GLN 70 HB2 GLN 70 0.019 8.605 10.941 592 2HB GLN 70 HB1 GLN 70 1.099 8.813 12.322 593 1HG GLN 70 HG2 GLN 70 -0.865 8.510 13.477 594 2HG GLN 70 HG1 GLN 70 -0.984 10.250 13.216 595 1HE2 GLN 70 HE2 GLN 70 -2.973 7.726 13.178 596 2HE2 GLN 70 HE2 GLN 70 -3.956 8.088 11.842 597 H LEU 71 HN LEU 71 2.080 12.709 11.112 598 HA LEU 71 HA LEU 71 2.342 13.059 14.072 599 1HB LEU 71 HB2 LEU 71 4.798 13.410 13.672 600 2HB LEU 71 HB1 LEU 71 4.265 11.772 13.293 601 HG LEU 71 HG LEU 71 4.001 13.581 11.011 602 1HD1 LEU 71 HD1 LEU 71 6.821 12.947 11.894 603 2HD1 LEU 71 HD1 LEU 71 6.051 14.489 12.269 604 3HD1 LEU 71 HD1 LEU 71 6.300 14.013 10.589 605 1HD2 LEU 71 HD2 LEU 71 4.072 10.936 11.329 606 2HD2 LEU 71 HD2 LEU 71 5.802 11.194 11.104 607 3HD2 LEU 71 HD2 LEU 71 4.666 11.691 9.850 Start of MODEL 17 1 1H THR 1 HT1 THR 1 21.104 6.741 12.800 2 2H THR 1 HT2 THR 1 22.157 7.472 11.685 3 3H THR 1 HT3 THR 1 21.606 5.887 11.423 4 HA THR 1 HA THR 1 19.744 8.194 11.557 5 HB THR 1 HB THR 1 21.006 6.954 9.096 6 HG1 THR 1 HG1 THR 1 21.652 9.396 10.385 7 1HG2 THR 1 HG2 THR 1 18.825 8.058 8.781 8 2HG2 THR 1 HG2 THR 1 20.114 8.978 8.006 9 3HG2 THR 1 HG2 THR 1 19.451 9.516 9.549 10 H ARG 2 HN ARG 2 19.312 5.632 12.705 11 HA ARG 2 HA ARG 2 18.080 3.781 10.852 12 1HB ARG 2 HB2 ARG 2 19.000 3.238 13.102 13 2HB ARG 2 HB1 ARG 2 17.711 4.190 13.839 14 1HG ARG 2 HG2 ARG 2 16.180 2.547 13.545 15 2HG ARG 2 HG1 ARG 2 16.729 2.217 11.902 16 1HD ARG 2 HD2 ARG 2 18.617 0.897 12.766 17 2HD ARG 2 HD1 ARG 2 18.118 1.259 14.431 18 HE ARG 2 HE ARG 2 15.836 0.215 13.591 19 1HH1 ARG 2 HH1 ARG 2 16.891 -0.813 11.036 20 2HH1 ARG 2 HH1 ARG 2 17.421 -2.410 11.447 21 1HH2 ARG 2 HH2 ARG 2 17.445 -1.810 14.862 22 2HH2 ARG 2 HH2 ARG 2 17.733 -2.975 13.612 23 H GLY 3 HN GLY 3 16.984 6.657 12.519 24 1HA GLY 3 HA2 GLY 3 14.139 6.056 12.155 25 2HA GLY 3 HA1 GLY 3 14.810 7.575 12.752 26 H SER 4 HN SER 4 13.817 5.814 9.912 27 HA SER 4 HA SER 4 13.613 8.307 8.387 28 1HB SER 4 HB2 SER 4 16.067 7.330 8.387 29 2HB SER 4 HB1 SER 4 15.403 6.195 7.215 30 HG SER 4 HG SER 4 15.373 7.741 5.796 31 H ASP 5 HN ASP 5 12.864 7.723 6.053 32 HA ASP 5 HA ASP 5 10.701 5.768 6.262 33 1HB ASP 5 HB2 ASP 5 11.243 8.129 4.889 34 2HB ASP 5 HB1 ASP 5 11.285 6.896 3.626 35 H ILE 6 HN ILE 6 11.161 3.619 5.970 36 HA ILE 6 HA ILE 6 13.110 2.885 3.808 37 HB ILE 6 HB ILE 6 12.467 1.502 6.435 38 1HG1 ILE 6 HG1 ILE 6 15.012 2.898 5.557 39 2HG1 ILE 6 HG1 ILE 6 13.784 3.657 6.570 40 1HG2 ILE 6 HG2 ILE 6 13.297 -0.314 5.371 41 2HG2 ILE 6 HG2 ILE 6 14.857 0.507 5.426 42 3HG2 ILE 6 HG2 ILE 6 13.837 0.646 3.994 43 1HD1 ILE 6 HD1 ILE 6 14.145 2.137 8.347 44 2HD1 ILE 6 HD1 ILE 6 15.767 2.520 7.771 45 3HD1 ILE 6 HD1 ILE 6 15.004 0.998 7.310 46 H SER 7 HN SER 7 10.219 3.278 3.510 47 HA SER 7 HA SER 7 9.234 0.486 3.165 48 1HB SER 7 HB2 SER 7 7.029 1.711 2.935 49 2HB SER 7 HB1 SER 7 7.821 1.928 4.493 50 HG SER 7 HG SER 7 7.491 3.964 3.966 51 H LYS 8 HN LYS 8 10.944 2.575 1.346 52 HA LYS 8 HA LYS 8 9.307 2.587 -1.091 53 1HB LYS 8 HB2 LYS 8 11.936 3.623 -0.128 54 2HB LYS 8 HB1 LYS 8 11.732 3.430 -1.870 55 1HG LYS 8 HG2 LYS 8 9.860 4.975 -0.051 56 2HG LYS 8 HG1 LYS 8 11.056 5.694 -1.129 57 1HD LYS 8 HD2 LYS 8 9.825 4.202 -2.945 58 2HD LYS 8 HD1 LYS 8 8.487 4.312 -1.802 59 1HE LYS 8 HE2 LYS 8 9.278 6.916 -1.851 60 2HE LYS 8 HE1 LYS 8 9.674 6.426 -3.510 61 1HZ LYS 8 HZ1 LYS 8 7.408 7.005 -3.558 62 2HZ LYS 8 HZ2 LYS 8 7.074 6.190 -2.106 63 3HZ LYS 8 HZ3 LYS 8 7.424 5.310 -3.517 64 H THR 9 HN THR 9 9.109 0.175 -1.235 65 HA THR 9 HA THR 9 11.582 -1.060 -2.398 66 HB THR 9 HB THR 9 10.913 -1.859 -0.119 67 HG1 THR 9 HG1 THR 9 11.906 -3.243 -1.704 68 1HG2 THR 9 HG2 THR 9 8.841 -3.245 0.034 69 2HG2 THR 9 HG2 THR 9 8.407 -2.716 -1.592 70 3HG2 THR 9 HG2 THR 9 8.505 -1.542 -0.279 71 H CYS 10 HN CYS 10 10.063 -3.476 -3.086 72 HA CYS 10 HA CYS 10 8.377 -2.382 -5.317 73 1HB CYS 10 HB2 CYS 10 10.586 -4.350 -5.128 74 2HB CYS 10 HB1 CYS 10 9.244 -4.829 -6.166 75 H CYS 11 HN CYS 11 7.272 -4.773 -6.186 76 HA CYS 11 HA CYS 11 6.017 -6.059 -3.809 77 1HB CYS 11 HB2 CYS 11 4.744 -4.296 -5.874 78 2HB CYS 11 HB1 CYS 11 3.801 -5.621 -5.192 79 H PHE 12 HN PHE 12 6.840 -8.108 -4.401 80 HA PHE 12 HA PHE 12 6.274 -9.084 -7.154 81 1HB PHE 12 HB2 PHE 12 8.210 -9.677 -4.961 82 2HB PHE 12 HB1 PHE 12 7.785 -10.999 -6.047 83 HD1 PHE 12 HD1 PHE 12 8.651 -11.104 -8.255 84 HD2 PHE 12 HD2 PHE 12 9.064 -7.499 -5.958 85 HE1 PHE 12 HE1 PHE 12 10.168 -10.176 -9.983 86 HE2 PHE 12 HE2 PHE 12 10.581 -6.571 -7.685 87 HZ PHE 12 HZ PHE 12 11.133 -7.909 -9.699 88 H GLN 13 HN GLN 13 4.238 -8.823 -4.949 89 HA GLN 13 HA GLN 13 3.058 -11.491 -5.230 90 1HB GLN 13 HB2 GLN 13 2.971 -11.816 -2.739 91 2HB GLN 13 HB1 GLN 13 4.615 -11.835 -3.378 92 1HG GLN 13 HG2 GLN 13 5.097 -10.228 -1.868 93 2HG GLN 13 HG1 GLN 13 4.125 -9.138 -2.857 94 1HE2 GLN 13 HE2 GLN 13 4.372 -10.482 0.254 95 2HE2 GLN 13 HE2 GLN 13 2.799 -10.144 0.792 96 H TYR 14 HN TYR 14 0.794 -11.377 -4.903 97 HA TYR 14 HA TYR 14 -0.286 -8.796 -3.866 98 1HB TYR 14 HB2 TYR 14 -1.066 -10.260 -6.407 99 2HB TYR 14 HB1 TYR 14 -1.833 -8.790 -5.804 100 HD1 TYR 14 HD1 TYR 14 0.236 -9.757 -8.279 101 HD2 TYR 14 HD2 TYR 14 0.296 -7.103 -4.903 102 HE1 TYR 14 HE1 TYR 14 1.986 -8.392 -9.384 103 HE2 TYR 14 HE2 TYR 14 2.044 -5.736 -6.008 104 HH TYR 14 HH TYR 14 3.160 -5.373 -7.932 105 H SER 15 HN SER 15 -2.255 -9.006 -2.759 106 HA SER 15 HA SER 15 -3.395 -11.761 -2.555 107 1HB SER 15 HB2 SER 15 -2.468 -9.787 -0.511 108 2HB SER 15 HB1 SER 15 -3.859 -10.791 -0.108 109 HG SER 15 HG SER 15 -2.621 -12.532 -0.131 110 H HIS 16 HN HIS 16 -5.456 -11.654 -3.381 111 HA HIS 16 HA HIS 16 -6.918 -9.092 -3.425 112 1HB HIS 16 HB2 HIS 16 -6.848 -10.629 -5.357 113 2HB HIS 16 HB1 HIS 16 -7.595 -11.894 -4.381 114 HD1 HIS 16 HD1 HIS 16 -8.356 -8.397 -5.681 115 HD2 HIS 16 HD2 HIS 16 -10.371 -11.778 -4.308 116 HE1 HIS 16 HE1 HIS 16 -10.822 -7.959 -6.049 117 H LYS 17 HN LYS 17 -7.196 -8.934 -1.037 118 HA LYS 17 HA LYS 17 -9.686 -10.233 -0.174 119 1HB LYS 17 HB2 LYS 17 -7.013 -11.152 0.560 120 2HB LYS 17 HB1 LYS 17 -7.984 -10.750 1.977 121 1HG LYS 17 HG2 LYS 17 -9.500 -12.223 -0.050 122 2HG LYS 17 HG1 LYS 17 -8.118 -13.131 0.563 123 1HD LYS 17 HD2 LYS 17 -8.876 -12.652 2.890 124 2HD LYS 17 HD1 LYS 17 -10.303 -11.851 2.230 125 1HE LYS 17 HE2 LYS 17 -10.889 -13.994 1.044 126 2HE LYS 17 HE1 LYS 17 -9.551 -14.776 1.910 127 1HZ LYS 17 HZ1 LYS 17 -11.977 -13.515 3.035 128 2HZ LYS 17 HZ2 LYS 17 -10.582 -13.739 3.978 129 3HZ LYS 17 HZ3 LYS 17 -11.382 -15.078 3.306 130 HA PRO 18 HA PRO 18 -9.789 -6.266 1.817 131 1HB PRO 18 HB2 PRO 18 -12.038 -6.632 3.326 132 2HB PRO 18 HB1 PRO 18 -12.088 -6.352 1.574 133 1HG PRO 18 HG2 PRO 18 -12.380 -8.885 3.093 134 2HG PRO 18 HG1 PRO 18 -13.196 -8.351 1.616 135 1HD PRO 18 HD2 PRO 18 -11.107 -10.134 1.674 136 2HD PRO 18 HD1 PRO 18 -11.534 -9.135 0.268 137 H LEU 19 HN LEU 19 -8.173 -6.023 3.344 138 HA LEU 19 HA LEU 19 -7.739 -7.804 5.576 139 1HB LEU 19 HB2 LEU 19 -6.384 -5.818 4.233 140 2HB LEU 19 HB1 LEU 19 -6.782 -5.013 5.748 141 HG LEU 19 HG LEU 19 -5.827 -7.752 6.147 142 1HD1 LEU 19 HD1 LEU 19 -3.446 -6.289 5.634 143 2HD1 LEU 19 HD1 LEU 19 -4.461 -6.133 4.202 144 3HD1 LEU 19 HD1 LEU 19 -4.022 -7.732 4.803 145 1HD2 LEU 19 HD2 LEU 19 -4.531 -6.680 7.878 146 2HD2 LEU 19 HD2 LEU 19 -6.112 -5.900 7.861 147 3HD2 LEU 19 HD2 LEU 19 -4.726 -5.099 7.121 148 HA PRO 20 HA PRO 20 -10.714 -6.185 8.412 149 1HB PRO 20 HB2 PRO 20 -9.427 -6.675 10.787 150 2HB PRO 20 HB1 PRO 20 -10.204 -7.949 9.825 151 1HG PRO 20 HG2 PRO 20 -7.326 -7.181 9.966 152 2HG PRO 20 HG1 PRO 20 -8.059 -8.793 9.931 153 1HD PRO 20 HD2 PRO 20 -6.953 -7.672 7.742 154 2HD PRO 20 HD1 PRO 20 -8.361 -8.752 7.644 155 H TRP 21 HN TRP 21 -10.772 -3.958 8.164 156 HA TRP 21 HA TRP 21 -8.847 -2.010 8.304 157 1HB TRP 21 HB2 TRP 21 -11.702 -2.093 9.272 158 2HB TRP 21 HB1 TRP 21 -10.777 -0.590 9.251 159 HD1 TRP 21 HD1 TRP 21 -12.830 -2.757 7.089 160 HE1 TRP 21 HE1 TRP 21 -12.647 -2.016 4.623 161 HE3 TRP 21 HE3 TRP 21 -8.857 0.428 7.422 162 HZ2 TRP 21 HZ2 TRP 21 -11.018 -0.299 3.010 163 HZ3 TRP 21 HZ3 TRP 21 -8.011 1.596 5.409 164 HH2 TRP 21 HH2 TRP 21 -9.085 1.241 3.206 165 H THR 22 HN THR 22 -10.226 -3.695 11.090 166 HA THR 22 HA THR 22 -9.367 -1.972 13.168 167 HB THR 22 HB THR 22 -9.294 -4.206 14.434 168 HG1 THR 22 HG1 THR 22 -9.597 -5.995 13.317 169 1HG2 THR 22 HG2 THR 22 -11.853 -4.404 13.109 170 2HG2 THR 22 HG2 THR 22 -11.429 -2.711 13.364 171 3HG2 THR 22 HG2 THR 22 -11.489 -3.822 14.733 172 H TRP 23 HN TRP 23 -7.616 -4.380 11.273 173 HA TRP 23 HA TRP 23 -5.119 -3.849 12.797 174 1HB TRP 23 HB2 TRP 23 -6.180 -5.985 10.970 175 2HB TRP 23 HB1 TRP 23 -4.442 -5.833 11.196 176 HD1 TRP 23 HD1 TRP 23 -6.304 -4.857 14.265 177 HE1 TRP 23 HE1 TRP 23 -6.185 -6.743 16.016 178 HE3 TRP 23 HE3 TRP 23 -4.450 -8.636 11.370 179 HZ2 TRP 23 HZ2 TRP 23 -5.409 -9.491 16.171 180 HZ3 TRP 23 HZ3 TRP 23 -4.032 -10.875 12.345 181 HH2 TRP 23 HH2 TRP 23 -4.509 -11.308 14.740 182 H VAL 24 HN VAL 24 -6.624 -2.383 10.288 183 HA VAL 24 HA VAL 24 -4.299 -2.304 8.462 184 HB VAL 24 HB VAL 24 -7.014 -0.960 8.366 185 1HG1 VAL 24 HG1 VAL 24 -4.813 -1.296 6.304 186 2HG1 VAL 24 HG1 VAL 24 -5.378 0.221 7.001 187 3HG1 VAL 24 HG1 VAL 24 -6.435 -0.707 5.938 188 1HG2 VAL 24 HG2 VAL 24 -5.924 -3.564 7.285 189 2HG2 VAL 24 HG2 VAL 24 -7.306 -2.768 6.532 190 3HG2 VAL 24 HG2 VAL 24 -7.399 -3.296 8.210 191 H ARG 25 HN ARG 25 -3.070 -0.382 8.115 192 HA ARG 25 HA ARG 25 -3.548 1.800 10.123 193 1HB ARG 25 HB2 ARG 25 -1.612 0.205 10.510 194 2HB ARG 25 HB1 ARG 25 -0.894 0.833 9.026 195 1HG ARG 25 HG2 ARG 25 -1.791 2.962 10.817 196 2HG ARG 25 HG1 ARG 25 -0.576 1.922 11.562 197 1HD ARG 25 HD2 ARG 25 0.205 2.445 8.840 198 2HD ARG 25 HD1 ARG 25 -0.127 3.983 9.661 199 HE ARG 25 HE ARG 25 1.383 2.119 11.320 200 1HH1 ARG 25 HH2 ARG 25 1.304 5.224 10.215 201 2HH1 ARG 25 HH2 ARG 25 3.010 5.401 9.975 202 1HH2 ARG 25 HH1 ARG 25 3.691 2.032 10.432 203 2HH2 ARG 25 HH1 ARG 25 4.362 3.593 10.096 204 H SER 26 HN SER 26 -1.604 1.246 7.138 205 HA SER 26 HA SER 26 -2.870 3.631 5.904 206 1HB SER 26 HB2 SER 26 -0.738 4.785 5.689 207 2HB SER 26 HB1 SER 26 -0.985 4.383 7.385 208 HG SER 26 HG SER 26 0.920 3.524 5.629 209 H TYR 27 HN TYR 27 -0.955 3.978 3.873 210 HA TYR 27 HA TYR 27 -0.506 1.339 2.613 211 1HB TYR 27 HB2 TYR 27 -2.102 1.623 0.923 212 2HB TYR 27 HB1 TYR 27 -2.924 2.373 2.284 213 HD1 TYR 27 HD1 TYR 27 -2.710 4.923 2.567 214 HD2 TYR 27 HD2 TYR 27 -1.624 2.850 -1.032 215 HE1 TYR 27 HE1 TYR 27 -2.833 7.054 1.302 216 HE2 TYR 27 HE2 TYR 27 -1.746 4.977 -2.297 217 HH TYR 27 HH TYR 27 -2.329 8.064 -0.661 218 H GLU 28 HN GLU 28 0.317 1.957 0.168 219 HA GLU 28 HA GLU 28 1.667 4.474 -0.186 220 1HB GLU 28 HB2 GLU 28 3.970 3.688 0.303 221 2HB GLU 28 HB1 GLU 28 2.953 3.602 1.740 222 1HG GLU 28 HG2 GLU 28 2.528 1.192 1.248 223 2HG GLU 28 HG1 GLU 28 3.656 1.302 -0.104 224 H PHE 29 HN PHE 29 2.494 4.601 -2.285 225 HA PHE 29 HA PHE 29 2.000 2.272 -4.046 226 1HB PHE 29 HB2 PHE 29 1.632 4.997 -4.218 227 2HB PHE 29 HB1 PHE 29 3.118 4.774 -5.142 228 HD1 PHE 29 HD1 PHE 29 -0.382 4.782 -5.362 229 HD2 PHE 29 HD2 PHE 29 3.060 2.630 -6.768 230 HE1 PHE 29 HE1 PHE 29 -1.699 3.927 -7.282 231 HE2 PHE 29 HE2 PHE 29 1.743 1.775 -8.687 232 HZ PHE 29 HZ PHE 29 -0.638 2.424 -8.945 233 H THR 30 HN THR 30 3.666 1.238 -5.226 234 HA THR 30 HA THR 30 6.265 1.056 -4.100 235 HB THR 30 HB THR 30 6.688 0.135 -6.551 236 HG1 THR 30 HG1 THR 30 4.830 1.210 -7.377 237 1HG2 THR 30 HG2 THR 30 6.253 -1.856 -5.578 238 2HG2 THR 30 HG2 THR 30 4.542 -1.468 -5.386 239 3HG2 THR 30 HG2 THR 30 5.709 -0.934 -4.176 240 H SER 31 HN SER 31 8.253 1.481 -5.779 241 HA SER 31 HA SER 31 8.323 4.407 -6.117 242 1HB SER 31 HB2 SER 31 10.146 2.176 -5.717 243 2HB SER 31 HB1 SER 31 10.716 3.239 -6.999 244 HG SER 31 HG SER 31 11.446 4.043 -5.052 245 H ASN 32 HN ASN 32 9.630 5.088 -8.227 246 HA ASN 32 HA ASN 32 8.013 4.210 -10.523 247 1HB ASN 32 HB2 ASN 32 9.268 6.055 -11.632 248 2HB ASN 32 HB1 ASN 32 8.555 6.574 -10.104 249 1HD2 ASN 32 HD2 ASN 32 11.643 5.509 -11.578 250 2HD2 ASN 32 HD2 ASN 32 12.633 6.242 -10.410 251 H SER 33 HN SER 33 11.227 3.660 -9.242 252 HA SER 33 HA SER 33 12.317 2.591 -11.741 253 1HB SER 33 HB2 SER 33 13.363 2.266 -8.924 254 2HB SER 33 HB1 SER 33 14.287 2.298 -10.423 255 HG SER 33 HG SER 33 13.099 4.383 -8.980 256 H CYS 34 HN CYS 34 10.181 1.369 -9.402 257 HA CYS 34 HA CYS 34 11.075 -1.334 -9.097 258 1HB CYS 34 HB2 CYS 34 9.290 -0.024 -7.829 259 2HB CYS 34 HB1 CYS 34 8.224 -0.313 -9.204 260 H SER 35 HN SER 35 10.412 -3.233 -10.264 261 HA SER 35 HA SER 35 9.862 -2.753 -13.131 262 1HB SER 35 HB2 SER 35 11.177 -4.706 -11.446 263 2HB SER 35 HB1 SER 35 10.043 -5.507 -12.532 264 HG SER 35 HG SER 35 11.783 -5.291 -13.780 265 H GLN 36 HN GLN 36 7.816 -2.671 -10.710 266 HA GLN 36 HA GLN 36 5.615 -3.880 -12.238 267 1HB GLN 36 HB2 GLN 36 6.992 -5.555 -10.628 268 2HB GLN 36 HB1 GLN 36 5.867 -4.889 -9.443 269 1HG GLN 36 HG2 GLN 36 4.453 -6.495 -10.217 270 2HG GLN 36 HG1 GLN 36 4.191 -5.370 -11.551 271 1HE2 GLN 36 HE2 GLN 36 6.011 -8.282 -10.592 272 2HE2 GLN 36 HE2 GLN 36 6.405 -8.758 -12.173 273 H ARG 37 HN ARG 37 4.890 -1.626 -12.124 274 HA ARG 37 HA ARG 37 4.583 -0.035 -9.827 275 1HB ARG 37 HB2 ARG 37 3.086 -0.396 -12.413 276 2HB ARG 37 HB1 ARG 37 2.493 0.756 -11.218 277 1HG ARG 37 HG2 ARG 37 5.127 1.412 -11.244 278 2HG ARG 37 HG1 ARG 37 4.920 0.876 -12.912 279 1HD ARG 37 HD2 ARG 37 3.410 2.577 -13.416 280 2HD ARG 37 HD1 ARG 37 2.877 2.740 -11.731 281 HE ARG 37 HE ARG 37 5.707 3.400 -12.253 282 1HH1 ARG 37 HH1 ARG 37 3.584 5.261 -13.575 283 2HH1 ARG 37 HH1 ARG 37 3.514 6.520 -12.387 284 1HH2 ARG 37 HH2 ARG 37 5.137 4.675 -9.944 285 2HH2 ARG 37 HH2 ARG 37 4.390 6.188 -10.332 286 H ALA 38 HN ALA 38 3.664 -0.753 -7.921 287 HA ALA 38 HA ALA 38 0.924 -1.881 -8.049 288 1HB ALA 38 HB1 ALA 38 3.356 -3.329 -7.554 289 2HB ALA 38 HB2 ALA 38 1.706 -3.950 -7.608 290 3HB ALA 38 HB3 ALA 38 2.372 -3.344 -6.091 291 H VAL 39 HN VAL 39 -0.267 -1.550 -6.087 292 HA VAL 39 HA VAL 39 0.865 0.572 -4.331 293 HB VAL 39 HB VAL 39 -1.938 -0.570 -4.590 294 1HG1 VAL 39 HG1 VAL 39 -0.679 1.452 -2.879 295 2HG1 VAL 39 HG1 VAL 39 -2.245 0.658 -2.711 296 3HG1 VAL 39 HG1 VAL 39 -2.079 2.069 -3.756 297 1HG2 VAL 39 HG2 VAL 39 -0.387 1.240 -6.277 298 2HG2 VAL 39 HG2 VAL 39 -1.865 1.998 -5.684 299 3HG2 VAL 39 HG2 VAL 39 -1.951 0.488 -6.592 300 H ILE 40 HN ILE 40 0.631 0.330 -1.969 301 HA ILE 40 HA ILE 40 0.403 -2.522 -1.079 302 HB ILE 40 HB ILE 40 2.389 -0.358 -0.323 303 1HG1 ILE 40 HG1 ILE 40 3.304 -3.001 -1.244 304 2HG1 ILE 40 HG1 ILE 40 2.420 -2.082 -2.462 305 1HG2 ILE 40 HG2 ILE 40 1.826 -1.648 1.656 306 2HG2 ILE 40 HG2 ILE 40 3.416 -2.151 1.082 307 3HG2 ILE 40 HG2 ILE 40 2.005 -3.158 0.763 308 1HD1 ILE 40 HD1 ILE 40 4.086 -0.564 -2.686 309 2HD1 ILE 40 HD1 ILE 40 5.096 -1.758 -1.869 310 3HD1 ILE 40 HD1 ILE 40 4.341 -0.461 -0.945 311 H PHE 41 HN PHE 41 -0.254 -2.753 1.168 312 HA PHE 41 HA PHE 41 -1.530 -0.331 2.390 313 1HB PHE 41 HB2 PHE 41 -2.637 -3.146 2.059 314 2HB PHE 41 HB1 PHE 41 -3.425 -1.866 2.984 315 HD1 PHE 41 HD1 PHE 41 -3.528 0.479 1.601 316 HD2 PHE 41 HD2 PHE 41 -3.411 -3.458 -0.110 317 HE1 PHE 41 HE1 PHE 41 -4.555 1.354 -0.479 318 HE2 PHE 41 HE2 PHE 41 -4.438 -2.584 -2.191 319 HZ PHE 41 HZ PHE 41 -5.011 -0.179 -2.375 320 H THR 42 HN THR 42 -0.711 -0.097 4.471 321 HA THR 42 HA THR 42 0.695 -2.426 5.639 322 HB THR 42 HB THR 42 0.709 0.276 6.891 323 HG1 THR 42 HG1 THR 42 1.575 1.222 5.230 324 1HG2 THR 42 HG2 THR 42 2.585 -2.008 6.435 325 2HG2 THR 42 HG2 THR 42 2.208 -1.153 7.931 326 3HG2 THR 42 HG2 THR 42 3.250 -0.401 6.725 327 H THR 43 HN THR 43 0.267 -3.210 7.713 328 HA THR 43 HA THR 43 -2.467 -2.629 8.734 329 HB THR 43 HB THR 43 -2.142 -4.820 9.859 330 HG1 THR 43 HG1 THR 43 0.306 -4.996 8.481 331 1HG2 THR 43 HG2 THR 43 -2.331 -6.131 7.912 332 2HG2 THR 43 HG2 THR 43 -1.210 -5.113 7.010 333 3HG2 THR 43 HG2 THR 43 -2.832 -4.528 7.376 334 H LYS 44 HN LYS 44 -2.433 -3.184 11.300 335 HA LYS 44 HA LYS 44 -0.939 -1.014 12.534 336 1HB LYS 44 HB2 LYS 44 -2.813 -3.197 13.455 337 2HB LYS 44 HB1 LYS 44 -2.083 -2.063 14.592 338 1HG LYS 44 HG2 LYS 44 -3.337 -0.884 12.165 339 2HG LYS 44 HG1 LYS 44 -4.434 -1.569 13.366 340 1HD LYS 44 HD2 LYS 44 -2.850 -0.218 15.039 341 2HD LYS 44 HD1 LYS 44 -2.587 0.766 13.599 342 1HE LYS 44 HE2 LYS 44 -4.572 1.790 13.974 343 2HE LYS 44 HE1 LYS 44 -5.393 0.228 13.775 344 1HZ LYS 44 HZ1 LYS 44 -4.305 1.433 16.245 345 2HZ LYS 44 HZ2 LYS 44 -4.549 -0.244 16.123 346 3HZ LYS 44 HZ3 LYS 44 -5.862 0.822 15.966 347 H ARG 45 HN ARG 45 -0.322 -4.368 11.958 348 HA ARG 45 HA ARG 45 1.495 -4.744 14.230 349 1HB ARG 45 HB2 ARG 45 0.698 -6.284 11.755 350 2HB ARG 45 HB1 ARG 45 1.975 -6.866 12.824 351 1HG ARG 45 HG2 ARG 45 -0.380 -6.025 14.321 352 2HG ARG 45 HG1 ARG 45 -0.764 -7.290 13.152 353 1HD ARG 45 HD2 ARG 45 1.548 -8.295 14.160 354 2HD ARG 45 HD1 ARG 45 0.934 -7.431 15.584 355 HE ARG 45 HE ARG 45 -0.352 -9.734 14.290 356 1HH1 ARG 45 HH1 ARG 45 -2.447 -7.612 14.493 357 2HH1 ARG 45 HH1 ARG 45 -3.093 -7.885 16.076 358 1HH2 ARG 45 HH2 ARG 45 -0.412 -9.818 17.125 359 2HH2 ARG 45 HH2 ARG 45 -1.940 -9.132 17.567 360 H GLY 46 HN GLY 46 1.715 -3.566 10.956 361 1HA GLY 46 HA2 GLY 46 3.711 -2.222 10.375 362 2HA GLY 46 HA1 GLY 46 4.680 -3.376 11.289 363 H LYS 47 HN LYS 47 2.409 -5.175 9.654 364 HA LYS 47 HA LYS 47 4.401 -6.004 7.647 365 1HB LYS 47 HB2 LYS 47 1.612 -7.022 8.276 366 2HB LYS 47 HB1 LYS 47 2.850 -7.875 7.352 367 1HG LYS 47 HG2 LYS 47 4.268 -7.419 9.581 368 2HG LYS 47 HG1 LYS 47 2.654 -7.424 10.294 369 1HD LYS 47 HD2 LYS 47 3.458 -9.607 8.389 370 2HD LYS 47 HD1 LYS 47 3.951 -9.686 10.081 371 1HE LYS 47 HE2 LYS 47 1.832 -10.154 10.796 372 2HE LYS 47 HE1 LYS 47 1.098 -9.007 9.659 373 1HZ LYS 47 HZ1 LYS 47 1.453 -10.519 7.866 374 2HZ LYS 47 HZ2 LYS 47 0.663 -11.377 9.103 375 3HZ LYS 47 HZ3 LYS 47 2.329 -11.586 8.851 376 H LYS 48 HN LYS 48 4.420 -4.824 5.755 377 HA LYS 48 HA LYS 48 1.998 -3.453 4.809 378 1HB LYS 48 HB2 LYS 48 4.819 -3.212 4.592 379 2HB LYS 48 HB1 LYS 48 4.186 -3.421 2.959 380 1HG LYS 48 HG2 LYS 48 3.294 -1.351 2.951 381 2HG LYS 48 HG1 LYS 48 2.533 -1.608 4.521 382 1HD LYS 48 HD2 LYS 48 4.168 0.236 4.634 383 2HD LYS 48 HD1 LYS 48 4.681 -1.119 5.640 384 1HE LYS 48 HE2 LYS 48 5.697 -1.543 2.990 385 2HE LYS 48 HE1 LYS 48 6.135 0.095 3.514 386 1HZ LYS 48 HZ1 LYS 48 7.056 -0.726 5.505 387 2HZ LYS 48 HZ2 LYS 48 7.663 -1.740 4.284 388 3HZ LYS 48 HZ3 LYS 48 6.393 -2.271 5.280 389 H VAL 49 HN VAL 49 0.606 -4.287 3.327 390 HA VAL 49 HA VAL 49 1.331 -6.860 1.992 391 HB VAL 49 HB VAL 49 -1.320 -5.421 2.328 392 1HG1 VAL 49 HG1 VAL 49 -2.347 -7.404 1.557 393 2HG1 VAL 49 HG1 VAL 49 -0.877 -8.353 1.773 394 3HG1 VAL 49 HG1 VAL 49 -0.986 -7.181 0.459 395 1HG2 VAL 49 HG2 VAL 49 -1.721 -6.862 4.209 396 2HG2 VAL 49 HG2 VAL 49 -0.133 -6.139 4.463 397 3HG2 VAL 49 HG2 VAL 49 -0.263 -7.799 3.881 398 H CYS 50 HN CYS 50 1.790 -6.842 -0.176 399 HA CYS 50 HA CYS 50 1.593 -4.371 -1.735 400 1HB CYS 50 HB2 CYS 50 2.584 -7.185 -2.095 401 2HB CYS 50 HB1 CYS 50 2.389 -6.161 -3.514 402 H THR 51 HN THR 51 0.218 -4.061 -3.565 403 HA THR 51 HA THR 51 -1.780 -6.140 -4.242 404 HB THR 51 HB THR 51 -3.643 -4.561 -3.740 405 HG1 THR 51 HG1 THR 51 -1.616 -3.011 -2.511 406 1HG2 THR 51 HG2 THR 51 -1.889 -4.856 -1.298 407 2HG2 THR 51 HG2 THR 51 -2.694 -6.235 -2.049 408 3HG2 THR 51 HG2 THR 51 -3.650 -4.909 -1.388 409 H HIS 52 HN HIS 52 -2.905 -5.614 -6.253 410 HA HIS 52 HA HIS 52 -1.303 -3.926 -8.046 411 1HB HIS 52 HB2 HIS 52 -3.307 -6.079 -8.171 412 2HB HIS 52 HB1 HIS 52 -3.470 -4.884 -9.458 413 HD1 HIS 52 HD1 HIS 52 -2.562 -7.590 -10.365 414 HD2 HIS 52 HD2 HIS 52 0.142 -4.699 -9.055 415 HE1 HIS 52 HE1 HIS 52 -0.315 -8.209 -11.354 416 HA PRO 53 HA PRO 53 -4.012 -0.456 -7.748 417 1HB PRO 53 HB2 PRO 53 -3.360 0.823 -10.075 418 2HB PRO 53 HB1 PRO 53 -2.288 0.789 -8.661 419 1HG PRO 53 HG2 PRO 53 -2.145 -0.767 -11.179 420 2HG PRO 53 HG1 PRO 53 -0.842 -0.149 -10.154 421 1HD PRO 53 HD2 PRO 53 -1.716 -2.772 -10.202 422 2HD PRO 53 HD1 PRO 53 -0.809 -2.022 -8.873 423 H ARG 54 HN ARG 54 -4.071 -2.609 -10.507 424 HA ARG 54 HA ARG 54 -6.344 -1.516 -11.885 425 1HB ARG 54 HB2 ARG 54 -4.925 -4.166 -11.707 426 2HB ARG 54 HB1 ARG 54 -6.413 -4.033 -12.644 427 1HG ARG 54 HG2 ARG 54 -4.635 -1.813 -13.217 428 2HG ARG 54 HG1 ARG 54 -3.829 -3.356 -13.505 429 1HD ARG 54 HD2 ARG 54 -4.959 -2.769 -15.561 430 2HD ARG 54 HD1 ARG 54 -5.928 -4.052 -14.807 431 HE ARG 54 HE ARG 54 -6.869 -1.607 -13.756 432 1HH1 ARG 54 HH2 ARG 54 -6.384 -0.638 -16.551 433 2HH1 ARG 54 HH2 ARG 54 -7.881 -1.020 -17.332 434 1HH2 ARG 54 HH1 ARG 54 -8.917 -3.220 -14.862 435 2HH2 ARG 54 HH1 ARG 54 -9.313 -2.483 -16.379 436 H LYS 55 HN LYS 55 -6.055 -4.006 -9.339 437 HA LYS 55 HA LYS 55 -8.717 -4.897 -9.205 438 1HB LYS 55 HB2 LYS 55 -6.339 -4.721 -7.499 439 2HB LYS 55 HB1 LYS 55 -7.840 -4.723 -6.574 440 1HG LYS 55 HG2 LYS 55 -7.026 -7.026 -6.952 441 2HG LYS 55 HG1 LYS 55 -8.576 -6.758 -7.750 442 1HD LYS 55 HD2 LYS 55 -7.548 -7.574 -9.601 443 2HD LYS 55 HD1 LYS 55 -6.790 -5.985 -9.699 444 1HE LYS 55 HE2 LYS 55 -4.908 -7.374 -9.734 445 2HE LYS 55 HE1 LYS 55 -5.062 -7.078 -7.989 446 1HZ LYS 55 HZ1 LYS 55 -6.023 -9.411 -9.541 447 2HZ LYS 55 HZ2 LYS 55 -6.632 -9.048 -7.997 448 3HZ LYS 55 HZ3 LYS 55 -4.982 -9.402 -8.202 449 H LYS 56 HN LYS 56 -10.568 -3.724 -8.933 450 HA LYS 56 HA LYS 56 -10.638 -0.953 -8.235 451 1HB LYS 56 HB2 LYS 56 -12.768 -3.117 -8.165 452 2HB LYS 56 HB1 LYS 56 -13.089 -1.383 -8.165 453 1HG LYS 56 HG2 LYS 56 -11.936 -1.167 -10.338 454 2HG LYS 56 HG1 LYS 56 -11.625 -2.902 -10.343 455 1HD LYS 56 HD2 LYS 56 -14.447 -2.075 -9.920 456 2HD LYS 56 HD1 LYS 56 -13.786 -1.808 -11.533 457 1HE LYS 56 HE2 LYS 56 -13.502 -4.076 -11.943 458 2HE LYS 56 HE1 LYS 56 -13.295 -4.464 -10.223 459 1HZ LYS 56 HZ1 LYS 56 -15.832 -3.403 -11.324 460 2HZ LYS 56 HZ2 LYS 56 -15.571 -4.121 -9.807 461 3HZ LYS 56 HZ3 LYS 56 -15.520 -5.066 -11.217 462 H TRP 57 HN TRP 57 -10.302 -3.716 -6.213 463 HA TRP 57 HA TRP 57 -11.610 -2.498 -3.882 464 1HB TRP 57 HB2 TRP 57 -11.266 -4.596 -2.924 465 2HB TRP 57 HB1 TRP 57 -11.214 -5.033 -4.626 466 HD1 TRP 57 HD1 TRP 57 -9.049 -6.108 -5.504 467 HE1 TRP 57 HE1 TRP 57 -6.726 -6.596 -4.495 468 HE3 TRP 57 HE3 TRP 57 -9.454 -3.577 -1.088 469 HZ2 TRP 57 HZ2 TRP 57 -5.241 -5.985 -2.128 470 HZ3 TRP 57 HZ3 TRP 57 -7.573 -3.553 0.525 471 HH2 TRP 57 HH2 TRP 57 -5.468 -4.753 0.011 472 H VAL 58 HN VAL 58 -8.428 -2.649 -5.316 473 HA VAL 58 HA VAL 58 -6.901 -1.808 -3.004 474 HB VAL 58 HB VAL 58 -6.459 -1.691 -6.001 475 1HG1 VAL 58 HG1 VAL 58 -4.111 -1.289 -5.524 476 2HG1 VAL 58 HG1 VAL 58 -4.412 -1.376 -3.788 477 3HG1 VAL 58 HG1 VAL 58 -5.063 -0.034 -4.730 478 1HG2 VAL 58 HG2 VAL 58 -6.418 -3.946 -5.530 479 2HG2 VAL 58 HG2 VAL 58 -5.993 -3.686 -3.839 480 3HG2 VAL 58 HG2 VAL 58 -4.757 -3.557 -5.088 481 H GLN 59 HN GLN 59 -8.099 -0.043 -5.905 482 HA GLN 59 HA GLN 59 -7.232 2.548 -5.119 483 1HB GLN 59 HB2 GLN 59 -9.128 3.260 -6.648 484 2HB GLN 59 HB1 GLN 59 -8.042 2.065 -7.355 485 1HG GLN 59 HG2 GLN 59 -9.842 0.771 -7.745 486 2HG GLN 59 HG1 GLN 59 -9.996 0.568 -6.000 487 1HE2 GLN 59 HE2 GLN 59 -11.564 1.823 -8.765 488 2HE2 GLN 59 HE2 GLN 59 -12.750 2.739 -7.967 489 H LYS 60 HN LYS 60 -9.830 0.519 -3.998 490 HA LYS 60 HA LYS 60 -11.371 2.621 -2.720 491 1HB LYS 60 HB2 LYS 60 -11.743 -0.003 -3.451 492 2HB LYS 60 HB1 LYS 60 -11.534 -0.147 -1.705 493 1HG LYS 60 HG2 LYS 60 -13.448 1.051 -1.236 494 2HG LYS 60 HG1 LYS 60 -13.324 2.024 -2.702 495 1HD LYS 60 HD2 LYS 60 -14.596 0.582 -3.888 496 2HD LYS 60 HD1 LYS 60 -13.712 -0.818 -3.277 497 1HE LYS 60 HE2 LYS 60 -15.026 -0.276 -1.034 498 2HE LYS 60 HE1 LYS 60 -16.159 0.507 -2.156 499 1HZ LYS 60 HZ1 LYS 60 -15.892 -1.595 -3.540 500 2HZ LYS 60 HZ2 LYS 60 -16.831 -1.717 -2.128 501 3HZ LYS 60 HZ3 LYS 60 -15.236 -2.303 -2.145 502 H TYR 61 HN TYR 61 -8.798 0.358 -1.755 503 HA TYR 61 HA TYR 61 -8.914 1.090 1.069 504 1HB TYR 61 HB2 TYR 61 -7.338 -0.618 -0.766 505 2HB TYR 61 HB1 TYR 61 -6.470 -0.046 0.659 506 HD1 TYR 61 HD1 TYR 61 -6.566 -1.414 2.533 507 HD2 TYR 61 HD2 TYR 61 -9.898 -1.343 -0.177 508 HE1 TYR 61 HE1 TYR 61 -7.734 -3.101 3.925 509 HE2 TYR 61 HE2 TYR 61 -11.066 -3.030 1.216 510 HH TYR 61 HH TYR 61 -10.930 -3.714 3.772 511 H ILE 62 HN ILE 62 -7.002 2.094 -1.742 512 HA ILE 62 HA ILE 62 -5.060 3.668 -0.350 513 HB ILE 62 HB ILE 62 -6.319 3.996 -3.099 514 1HG1 ILE 62 HG1 ILE 62 -3.779 2.558 -2.267 515 2HG1 ILE 62 HG1 ILE 62 -5.308 1.748 -2.610 516 1HG2 ILE 62 HG2 ILE 62 -4.383 5.574 -1.680 517 2HG2 ILE 62 HG2 ILE 62 -4.977 5.792 -3.326 518 3HG2 ILE 62 HG2 ILE 62 -3.579 4.761 -3.023 519 1HD1 ILE 62 HD1 ILE 62 -3.845 1.730 -4.595 520 2HD1 ILE 62 HD1 ILE 62 -3.766 3.491 -4.552 521 3HD1 ILE 62 HD1 ILE 62 -5.297 2.686 -4.892 522 H SER 63 HN SER 63 -8.221 4.557 -1.790 523 HA SER 63 HA SER 63 -8.174 7.316 -1.034 524 1HB SER 63 HB2 SER 63 -10.562 5.458 -1.260 525 2HB SER 63 HB1 SER 63 -10.544 7.198 -1.535 526 HG SER 63 HG SER 63 -10.416 6.167 -3.511 527 H LEU 64 HN LEU 64 -9.668 4.484 0.579 528 HA LEU 64 HA LEU 64 -10.601 5.833 2.905 529 1HB LEU 64 HB2 LEU 64 -10.194 3.146 1.898 530 2HB LEU 64 HB1 LEU 64 -9.757 3.223 3.606 531 HG LEU 64 HG LEU 64 -12.235 4.665 2.918 532 1HD1 LEU 64 HD1 LEU 64 -12.195 2.544 1.443 533 2HD1 LEU 64 HD1 LEU 64 -13.598 2.776 2.488 534 3HD1 LEU 64 HD1 LEU 64 -12.326 1.648 2.957 535 1HD2 LEU 64 HD2 LEU 64 -11.045 3.055 5.095 536 2HD2 LEU 64 HD2 LEU 64 -12.790 2.882 4.915 537 3HD2 LEU 64 HD2 LEU 64 -12.085 4.475 5.187 538 H LEU 65 HN LEU 65 -7.513 4.123 2.309 539 HA LEU 65 HA LEU 65 -6.386 4.966 4.876 540 1HB LEU 65 HB2 LEU 65 -5.408 3.534 2.399 541 2HB LEU 65 HB1 LEU 65 -4.303 3.948 3.707 542 HG LEU 65 HG LEU 65 -6.787 2.221 3.928 543 1HD1 LEU 65 HD1 LEU 65 -5.116 0.835 3.054 544 2HD1 LEU 65 HD1 LEU 65 -4.868 0.632 4.788 545 3HD1 LEU 65 HD1 LEU 65 -3.826 1.715 3.869 546 1HD2 LEU 65 HD2 LEU 65 -5.244 3.720 5.916 547 2HD2 LEU 65 HD2 LEU 65 -5.315 1.995 6.272 548 3HD2 LEU 65 HD2 LEU 65 -6.805 2.920 6.085 549 H LYS 66 HN LYS 66 -7.007 7.359 4.051 550 HA LYS 66 HA LYS 66 -4.983 8.518 2.251 551 1HB LYS 66 HB2 LYS 66 -7.619 9.026 2.898 552 2HB LYS 66 HB1 LYS 66 -6.762 10.297 3.771 553 1HG LYS 66 HG2 LYS 66 -6.009 9.728 0.923 554 2HG LYS 66 HG1 LYS 66 -7.465 10.669 1.253 555 1HD LYS 66 HD2 LYS 66 -6.218 12.326 2.468 556 2HD LYS 66 HD1 LYS 66 -4.766 11.325 2.458 557 1HE LYS 66 HE2 LYS 66 -5.089 11.450 -0.178 558 2HE LYS 66 HE1 LYS 66 -5.960 12.940 0.234 559 1HZ LYS 66 HZ1 LYS 66 -3.668 13.497 0.033 560 2HZ LYS 66 HZ2 LYS 66 -3.195 12.198 1.023 561 3HZ LYS 66 HZ3 LYS 66 -4.039 13.513 1.688 562 H THR 67 HN THR 67 -3.839 7.393 4.638 563 HA THR 67 HA THR 67 -3.409 9.520 6.587 564 HB THR 67 HB THR 67 -2.018 6.862 6.136 565 HG1 THR 67 HG1 THR 67 -4.002 6.291 6.632 566 1HG2 THR 67 HG2 THR 67 -2.078 8.794 8.460 567 2HG2 THR 67 HG2 THR 67 -0.665 8.239 7.562 568 3HG2 THR 67 HG2 THR 67 -1.539 7.120 8.608 569 HA PRO 68 HA PRO 68 0.864 9.716 4.476 570 1HB PRO 68 HB2 PRO 68 1.141 8.681 1.961 571 2HB PRO 68 HB1 PRO 68 1.444 7.737 3.433 572 1HG PRO 68 HG2 PRO 68 -0.898 7.709 1.618 573 2HG PRO 68 HG1 PRO 68 -0.156 6.387 2.529 574 1HD PRO 68 HD2 PRO 68 -2.465 7.698 3.250 575 2HD PRO 68 HD1 PRO 68 -1.429 6.780 4.360 576 H LYS 69 HN LYS 69 1.567 11.463 3.088 577 HA LYS 69 HA LYS 69 -0.268 12.482 1.020 578 1HB LYS 69 HB2 LYS 69 -0.529 14.645 2.249 579 2HB LYS 69 HB1 LYS 69 -1.246 13.286 3.117 580 1HG LYS 69 HG2 LYS 69 0.243 13.432 4.825 581 2HG LYS 69 HG1 LYS 69 1.597 13.746 3.741 582 1HD LYS 69 HD2 LYS 69 0.272 16.067 3.433 583 2HD LYS 69 HD1 LYS 69 -0.250 15.666 5.070 584 1HE LYS 69 HE2 LYS 69 2.573 15.145 4.853 585 2HE LYS 69 HE1 LYS 69 2.238 16.798 4.299 586 1HZ LYS 69 HZ1 LYS 69 0.972 15.684 6.730 587 2HZ LYS 69 HZ2 LYS 69 1.119 17.312 6.267 588 3HZ LYS 69 HZ3 LYS 69 2.483 16.451 6.797 589 H GLN 70 HN GLN 70 0.704 14.447 -0.049 590 HA GLN 70 HA GLN 70 3.610 14.838 0.478 591 1HB GLN 70 HB2 GLN 70 2.648 13.056 -1.406 592 2HB GLN 70 HB1 GLN 70 2.915 14.513 -2.363 593 1HG GLN 70 HG2 GLN 70 5.204 14.563 -1.898 594 2HG GLN 70 HG1 GLN 70 5.027 13.596 -0.431 595 1HE2 GLN 70 HE2 GLN 70 3.484 12.735 -3.518 596 2HE2 GLN 70 HE2 GLN 70 4.409 11.339 -3.786 597 H LEU 71 HN LEU 71 3.912 17.028 0.517 598 HA LEU 71 HA LEU 71 1.914 18.854 -0.611 599 1HB LEU 71 HB2 LEU 71 3.598 18.889 1.515 600 2HB LEU 71 HB1 LEU 71 4.559 19.809 0.356 601 HG LEU 71 HG LEU 71 2.444 21.185 -0.083 602 1HD1 LEU 71 HD1 LEU 71 0.743 19.805 0.856 603 2HD1 LEU 71 HD1 LEU 71 0.898 21.167 1.964 604 3HD1 LEU 71 HD1 LEU 71 1.629 19.615 2.369 605 1HD2 LEU 71 HD2 LEU 71 3.666 22.605 1.175 606 2HD2 LEU 71 HD2 LEU 71 4.360 21.265 2.090 607 3HD2 LEU 71 HD2 LEU 71 2.828 21.980 2.596 Start of MODEL 18 1 1H THR 1 HT1 THR 1 18.654 3.379 11.016 2 2H THR 1 HT2 THR 1 19.300 1.942 10.380 3 3H THR 1 HT3 THR 1 17.953 1.887 11.415 4 HA THR 1 HA THR 1 16.726 3.248 9.684 5 HB THR 1 HB THR 1 19.155 2.318 8.118 6 HG1 THR 1 HG1 THR 1 19.978 4.137 8.705 7 1HG2 THR 1 HG2 THR 1 17.680 4.323 6.775 8 2HG2 THR 1 HG2 THR 1 16.505 3.139 7.347 9 3HG2 THR 1 HG2 THR 1 17.845 2.627 6.321 10 H ARG 2 HN ARG 2 16.203 0.920 10.961 11 HA ARG 2 HA ARG 2 15.245 -0.819 8.804 12 1HB ARG 2 HB2 ARG 2 17.729 -1.336 9.288 13 2HB ARG 2 HB1 ARG 2 17.163 -1.994 10.824 14 1HG ARG 2 HG2 ARG 2 16.790 -3.926 9.715 15 2HG ARG 2 HG1 ARG 2 15.428 -3.105 8.951 16 1HD ARG 2 HD2 ARG 2 17.882 -2.341 7.625 17 2HD ARG 2 HD1 ARG 2 17.728 -4.108 7.653 18 HE ARG 2 HE ARG 2 15.368 -2.467 6.862 19 1HH1 ARG 2 HH2 ARG 2 17.485 -2.779 4.713 20 2HH1 ARG 2 HH2 ARG 2 16.925 -4.192 3.882 21 1HH2 ARG 2 HH1 ARG 2 14.778 -5.161 6.427 22 2HH2 ARG 2 HH1 ARG 2 15.391 -5.541 4.852 23 H GLY 3 HN GLY 3 14.247 0.718 11.210 24 1HA GLY 3 HA2 GLY 3 12.684 -1.519 12.384 25 2HA GLY 3 HA1 GLY 3 13.513 -0.418 13.486 26 H SER 4 HN SER 4 11.957 0.470 10.425 27 HA SER 4 HA SER 4 9.721 1.757 11.908 28 1HB SER 4 HB2 SER 4 11.621 3.350 11.840 29 2HB SER 4 HB1 SER 4 11.678 3.198 10.086 30 HG SER 4 HG SER 4 10.245 4.731 10.105 31 H ASP 5 HN ASP 5 8.195 2.822 10.210 32 HA ASP 5 HA ASP 5 7.554 0.839 8.181 33 1HB ASP 5 HB2 ASP 5 5.695 2.428 7.740 34 2HB ASP 5 HB1 ASP 5 5.881 2.118 9.466 35 H ILE 6 HN ILE 6 9.968 1.369 7.312 36 HA ILE 6 HA ILE 6 9.677 3.434 5.149 37 HB ILE 6 HB ILE 6 12.131 2.470 6.654 38 1HG1 ILE 6 HG1 ILE 6 10.675 5.132 6.738 39 2HG1 ILE 6 HG1 ILE 6 10.577 3.890 7.988 40 1HG2 ILE 6 HG2 ILE 6 11.885 3.702 4.113 41 2HG2 ILE 6 HG2 ILE 6 13.361 3.448 5.043 42 3HG2 ILE 6 HG2 ILE 6 12.452 4.948 5.225 43 1HD1 ILE 6 HD1 ILE 6 13.342 4.473 7.320 44 2HD1 ILE 6 HD1 ILE 6 12.539 4.537 8.888 45 3HD1 ILE 6 HD1 ILE 6 12.489 5.935 7.815 46 H SER 7 HN SER 7 8.767 0.789 4.728 47 HA SER 7 HA SER 7 10.956 -0.509 3.179 48 1HB SER 7 HB2 SER 7 8.933 -1.395 4.964 49 2HB SER 7 HB1 SER 7 8.524 -2.035 3.375 50 HG SER 7 HG SER 7 10.760 -2.490 4.991 51 H LYS 8 HN LYS 8 9.451 1.856 2.190 52 HA LYS 8 HA LYS 8 7.424 1.026 0.311 53 1HB LYS 8 HB2 LYS 8 7.772 3.315 -0.558 54 2HB LYS 8 HB1 LYS 8 7.729 3.318 1.205 55 1HG LYS 8 HG2 LYS 8 10.400 2.882 0.695 56 2HG LYS 8 HG1 LYS 8 9.944 3.976 -0.612 57 1HD LYS 8 HD2 LYS 8 8.871 5.467 1.117 58 2HD LYS 8 HD1 LYS 8 9.572 4.431 2.360 59 1HE LYS 8 HE2 LYS 8 11.842 4.861 1.234 60 2HE LYS 8 HE1 LYS 8 11.025 6.163 0.346 61 1HZ LYS 8 HZ1 LYS 8 10.133 6.851 2.608 62 2HZ LYS 8 HZ2 LYS 8 11.773 7.174 2.305 63 3HZ LYS 8 HZ3 LYS 8 11.330 5.850 3.273 64 H THR 9 HN THR 9 8.834 -0.913 -0.454 65 HA THR 9 HA THR 9 10.780 -0.068 -2.568 66 HB THR 9 HB THR 9 11.608 -1.571 -0.812 67 HG1 THR 9 HG1 THR 9 12.294 -1.918 -2.979 68 1HG2 THR 9 HG2 THR 9 9.067 -2.987 -1.456 69 2HG2 THR 9 HG2 THR 9 9.862 -2.756 0.102 70 3HG2 THR 9 HG2 THR 9 10.456 -3.981 -1.019 71 H CYS 10 HN CYS 10 10.673 -2.458 -4.064 72 HA CYS 10 HA CYS 10 8.367 -1.977 -5.754 73 1HB CYS 10 HB2 CYS 10 10.361 -4.268 -5.689 74 2HB CYS 10 HB1 CYS 10 9.366 -3.793 -7.062 75 H CYS 11 HN CYS 11 7.260 -4.271 -6.492 76 HA CYS 11 HA CYS 11 6.414 -5.735 -4.022 77 1HB CYS 11 HB2 CYS 11 4.776 -4.257 -6.079 78 2HB CYS 11 HB1 CYS 11 4.069 -5.587 -5.163 79 H PHE 12 HN PHE 12 5.109 -7.765 -4.726 80 HA PHE 12 HA PHE 12 5.844 -8.769 -7.415 81 1HB PHE 12 HB2 PHE 12 6.700 -9.964 -4.764 82 2HB PHE 12 HB1 PHE 12 6.846 -10.804 -6.308 83 HD1 PHE 12 HD1 PHE 12 8.517 -8.700 -4.027 84 HD2 PHE 12 HD2 PHE 12 7.998 -9.369 -8.238 85 HE1 PHE 12 HE1 PHE 12 10.642 -7.503 -4.479 86 HE2 PHE 12 HE2 PHE 12 10.124 -8.174 -8.690 87 HZ PHE 12 HZ PHE 12 11.446 -7.241 -6.811 88 H GLN 13 HN GLN 13 4.615 -10.078 -4.306 89 HA GLN 13 HA GLN 13 2.525 -11.571 -5.749 90 1HB GLN 13 HB2 GLN 13 2.100 -12.468 -3.474 91 2HB GLN 13 HB1 GLN 13 3.812 -12.557 -3.889 92 1HG GLN 13 HG2 GLN 13 4.398 -11.095 -2.261 93 2HG GLN 13 HG1 GLN 13 3.053 -10.015 -2.632 94 1HE2 GLN 13 HE2 GLN 13 3.869 -10.831 0.077 95 2HE2 GLN 13 HE2 GLN 13 2.556 -11.670 0.750 96 H TYR 14 HN TYR 14 0.224 -11.331 -5.101 97 HA TYR 14 HA TYR 14 -0.442 -8.654 -3.964 98 1HB TYR 14 HB2 TYR 14 -1.588 -9.954 -6.455 99 2HB TYR 14 HB1 TYR 14 -2.078 -8.393 -5.798 100 HD1 TYR 14 HD1 TYR 14 -0.035 -6.727 -5.320 101 HD2 TYR 14 HD2 TYR 14 0.015 -9.961 -8.145 102 HE1 TYR 14 HE1 TYR 14 1.817 -5.625 -6.548 103 HE2 TYR 14 HE2 TYR 14 1.867 -8.860 -9.373 104 HH TYR 14 HH TYR 14 2.727 -6.466 -9.641 105 H SER 15 HN SER 15 -1.925 -8.884 -2.337 106 HA SER 15 HA SER 15 -3.202 -11.472 -1.850 107 1HB SER 15 HB2 SER 15 -2.973 -8.796 -0.518 108 2HB SER 15 HB1 SER 15 -4.224 -9.906 0.030 109 HG SER 15 HG SER 15 -2.610 -10.677 1.161 110 H HIS 16 HN HIS 16 -5.487 -11.828 -1.836 111 HA HIS 16 HA HIS 16 -7.119 -9.767 -3.283 112 1HB HIS 16 HB2 HIS 16 -6.350 -11.782 -4.624 113 2HB HIS 16 HB1 HIS 16 -7.308 -12.784 -3.533 114 HD1 HIS 16 HD1 HIS 16 -9.741 -13.021 -4.080 115 HD2 HIS 16 HD2 HIS 16 -8.029 -9.755 -6.023 116 HE1 HIS 16 HE1 HIS 16 -11.519 -12.095 -5.627 117 H LYS 17 HN LYS 17 -7.502 -9.336 -0.804 118 HA LYS 17 HA LYS 17 -10.079 -10.525 -0.093 119 1HB LYS 17 HB2 LYS 17 -7.561 -11.610 0.838 120 2HB LYS 17 HB1 LYS 17 -8.495 -10.998 2.203 121 1HG LYS 17 HG2 LYS 17 -10.291 -12.372 0.457 122 2HG LYS 17 HG1 LYS 17 -8.897 -13.416 0.735 123 1HD LYS 17 HD2 LYS 17 -9.499 -13.803 2.875 124 2HD LYS 17 HD1 LYS 17 -9.763 -12.087 3.183 125 1HE LYS 17 HE2 LYS 17 -11.893 -12.736 1.530 126 2HE LYS 17 HE1 LYS 17 -11.728 -14.172 2.562 127 1HZ LYS 17 HZ1 LYS 17 -11.825 -12.875 4.497 128 2HZ LYS 17 HZ2 LYS 17 -13.066 -12.258 3.512 129 3HZ LYS 17 HZ3 LYS 17 -11.593 -11.423 3.652 130 HA PRO 18 HA PRO 18 -10.249 -6.565 1.855 131 1HB PRO 18 HB2 PRO 18 -12.405 -6.951 3.494 132 2HB PRO 18 HB1 PRO 18 -12.554 -6.728 1.739 133 1HG PRO 18 HG2 PRO 18 -12.669 -9.224 3.347 134 2HG PRO 18 HG1 PRO 18 -13.592 -8.761 1.909 135 1HD PRO 18 HD2 PRO 18 -11.453 -10.474 1.868 136 2HD PRO 18 HD1 PRO 18 -11.973 -9.498 0.477 137 H LEU 19 HN LEU 19 -8.520 -6.277 3.242 138 HA LEU 19 HA LEU 19 -7.936 -7.953 5.516 139 1HB LEU 19 HB2 LEU 19 -6.700 -6.019 3.975 140 2HB LEU 19 HB1 LEU 19 -6.929 -5.187 5.513 141 HG LEU 19 HG LEU 19 -6.008 -7.911 5.925 142 1HD1 LEU 19 HD1 LEU 19 -4.711 -7.953 4.017 143 2HD1 LEU 19 HD1 LEU 19 -3.612 -7.073 5.081 144 3HD1 LEU 19 HD1 LEU 19 -4.610 -6.195 3.921 145 1HD2 LEU 19 HD2 LEU 19 -4.616 -5.291 6.530 146 2HD2 LEU 19 HD2 LEU 19 -4.479 -6.815 7.407 147 3HD2 LEU 19 HD2 LEU 19 -5.975 -5.883 7.486 148 HA PRO 20 HA PRO 20 -10.615 -6.147 8.524 149 1HB PRO 20 HB2 PRO 20 -9.124 -6.512 10.797 150 2HB PRO 20 HB1 PRO 20 -9.985 -7.834 9.981 151 1HG PRO 20 HG2 PRO 20 -7.102 -7.088 9.846 152 2HG PRO 20 HG1 PRO 20 -7.849 -8.692 9.936 153 1HD PRO 20 HD2 PRO 20 -6.911 -7.649 7.621 154 2HD PRO 20 HD1 PRO 20 -8.297 -8.759 7.680 155 H TRP 21 HN TRP 21 -10.743 -3.933 8.294 156 HA TRP 21 HA TRP 21 -8.741 -2.021 8.137 157 1HB TRP 21 HB2 TRP 21 -11.521 -1.978 9.325 158 2HB TRP 21 HB1 TRP 21 -10.572 -0.505 9.103 159 HD1 TRP 21 HD1 TRP 21 -12.754 -2.901 7.271 160 HE1 TRP 21 HE1 TRP 21 -12.790 -2.324 4.757 161 HE3 TRP 21 HE3 TRP 21 -8.933 0.476 7.089 162 HZ2 TRP 21 HZ2 TRP 21 -11.377 -0.648 2.915 163 HZ3 TRP 21 HZ3 TRP 21 -8.301 1.547 4.949 164 HH2 TRP 21 HH2 TRP 21 -9.516 0.990 2.862 165 H THR 22 HN THR 22 -9.978 -3.560 11.070 166 HA THR 22 HA THR 22 -8.909 -1.786 13.019 167 HB THR 22 HB THR 22 -8.998 -3.845 14.438 168 HG1 THR 22 HG1 THR 22 -9.522 -5.777 13.448 169 1HG2 THR 22 HG2 THR 22 -11.411 -4.005 12.692 170 2HG2 THR 22 HG2 THR 22 -11.056 -2.460 13.464 171 3HG2 THR 22 HG2 THR 22 -11.304 -3.902 14.449 172 H TRP 23 HN TRP 23 -7.421 -4.378 11.131 173 HA TRP 23 HA TRP 23 -4.827 -4.020 12.522 174 1HB TRP 23 HB2 TRP 23 -6.265 -6.139 11.355 175 2HB TRP 23 HB1 TRP 23 -4.891 -5.867 10.285 176 HD1 TRP 23 HD1 TRP 23 -5.032 -5.504 14.125 177 HE1 TRP 23 HE1 TRP 23 -3.216 -7.027 15.144 178 HE3 TRP 23 HE3 TRP 23 -3.299 -7.763 9.887 179 HZ2 TRP 23 HZ2 TRP 23 -1.283 -8.950 14.272 180 HZ3 TRP 23 HZ3 TRP 23 -1.473 -9.435 10.009 181 HH2 TRP 23 HH2 TRP 23 -0.464 -10.030 12.194 182 H VAL 24 HN VAL 24 -6.330 -2.318 10.190 183 HA VAL 24 HA VAL 24 -3.967 -2.143 8.385 184 HB VAL 24 HB VAL 24 -6.795 -1.086 8.102 185 1HG1 VAL 24 HG1 VAL 24 -6.223 -0.429 5.945 186 2HG1 VAL 24 HG1 VAL 24 -4.894 -1.584 5.836 187 3HG1 VAL 24 HG1 VAL 24 -4.707 -0.112 6.789 188 1HG2 VAL 24 HG2 VAL 24 -7.409 -3.102 7.246 189 2HG2 VAL 24 HG2 VAL 24 -5.981 -3.731 8.065 190 3HG2 VAL 24 HG2 VAL 24 -5.894 -3.281 6.363 191 H ARG 25 HN ARG 25 -2.750 -0.217 8.365 192 HA ARG 25 HA ARG 25 -3.785 1.977 10.125 193 1HB ARG 25 HB2 ARG 25 -1.490 2.314 10.825 194 2HB ARG 25 HB1 ARG 25 -1.876 0.603 10.987 195 1HG ARG 25 HG2 ARG 25 0.029 0.269 9.804 196 2HG ARG 25 HG1 ARG 25 -0.939 0.724 8.405 197 1HD ARG 25 HD2 ARG 25 1.068 2.098 8.393 198 2HD ARG 25 HD1 ARG 25 -0.282 3.143 8.880 199 HE ARG 25 HE ARG 25 0.629 2.064 11.271 200 1HH1 ARG 25 HH1 ARG 25 1.104 4.805 9.532 201 2HH1 ARG 25 HH1 ARG 25 2.705 5.144 10.101 202 1HH2 ARG 25 HH2 ARG 25 3.098 2.059 11.636 203 2HH2 ARG 25 HH2 ARG 25 3.834 3.588 11.293 204 H SER 26 HN SER 26 -2.163 1.248 7.040 205 HA SER 26 HA SER 26 -2.977 3.813 5.947 206 1HB SER 26 HB2 SER 26 -0.770 4.852 5.865 207 2HB SER 26 HB1 SER 26 -1.152 4.448 7.534 208 HG SER 26 HG SER 26 0.692 3.313 5.770 209 H TYR 27 HN TYR 27 -0.861 4.109 4.053 210 HA TYR 27 HA TYR 27 -0.476 1.510 2.737 211 1HB TYR 27 HB2 TYR 27 -1.959 1.888 0.941 212 2HB TYR 27 HB1 TYR 27 -2.862 2.456 2.339 213 HD1 TYR 27 HD1 TYR 27 -1.712 3.286 -0.906 214 HD2 TYR 27 HD2 TYR 27 -2.558 5.008 2.936 215 HE1 TYR 27 HE1 TYR 27 -1.892 5.523 -1.951 216 HE2 TYR 27 HE2 TYR 27 -2.740 7.246 1.893 217 HH TYR 27 HH TYR 27 -1.547 8.158 -0.725 218 H GLU 28 HN GLU 28 0.211 2.275 0.231 219 HA GLU 28 HA GLU 28 1.665 4.709 -0.086 220 1HB GLU 28 HB2 GLU 28 3.982 3.712 0.221 221 2HB GLU 28 HB1 GLU 28 3.067 3.899 1.716 222 1HG GLU 28 HG2 GLU 28 3.435 1.709 2.100 223 2HG GLU 28 HG1 GLU 28 2.343 1.366 0.758 224 H PHE 29 HN PHE 29 2.743 4.761 -2.163 225 HA PHE 29 HA PHE 29 1.982 2.480 -3.935 226 1HB PHE 29 HB2 PHE 29 1.642 5.223 -4.075 227 2HB PHE 29 HB1 PHE 29 3.035 4.955 -5.123 228 HD1 PHE 29 HD1 PHE 29 2.847 3.051 -6.879 229 HD2 PHE 29 HD2 PHE 29 -0.529 4.781 -4.862 230 HE1 PHE 29 HE1 PHE 29 1.347 2.200 -8.660 231 HE2 PHE 29 HE2 PHE 29 -2.029 3.930 -6.644 232 HZ PHE 29 HZ PHE 29 -1.091 2.640 -8.544 233 H THR 30 HN THR 30 3.560 1.612 -5.410 234 HA THR 30 HA THR 30 6.248 1.392 -4.381 235 HB THR 30 HB THR 30 6.439 0.370 -6.839 236 HG1 THR 30 HG1 THR 30 4.546 1.211 -7.635 237 1HG2 THR 30 HG2 THR 30 4.531 -1.276 -5.408 238 2HG2 THR 30 HG2 THR 30 5.720 -0.590 -4.300 239 3HG2 THR 30 HG2 THR 30 6.252 -1.550 -5.682 240 H SER 31 HN SER 31 8.199 1.921 -5.807 241 HA SER 31 HA SER 31 8.023 4.731 -6.676 242 1HB SER 31 HB2 SER 31 9.916 2.998 -5.481 243 2HB SER 31 HB1 SER 31 10.588 3.457 -7.044 244 HG SER 31 HG SER 31 10.396 5.594 -6.478 245 H ASN 32 HN ASN 32 9.442 5.211 -8.742 246 HA ASN 32 HA ASN 32 8.230 3.759 -10.980 247 1HB ASN 32 HB2 ASN 32 8.587 6.234 -10.854 248 2HB ASN 32 HB1 ASN 32 10.328 5.952 -10.892 249 1HD2 ASN 32 HD2 ASN 32 8.007 6.966 -12.913 250 2HD2 ASN 32 HD2 ASN 32 8.517 6.264 -14.372 251 H SER 33 HN SER 33 11.339 3.829 -9.339 252 HA SER 33 HA SER 33 12.998 2.679 -11.344 253 1HB SER 33 HB2 SER 33 13.004 3.248 -8.509 254 2HB SER 33 HB1 SER 33 13.751 1.679 -8.804 255 HG SER 33 HG SER 33 14.372 4.040 -10.253 256 H CYS 34 HN CYS 34 10.522 1.265 -9.313 257 HA CYS 34 HA CYS 34 11.356 -1.495 -9.541 258 1HB CYS 34 HB2 CYS 34 8.695 -0.135 -9.005 259 2HB CYS 34 HB1 CYS 34 8.981 -1.862 -8.791 260 H SER 35 HN SER 35 10.696 -3.056 -11.062 261 HA SER 35 HA SER 35 9.848 -2.056 -13.685 262 1HB SER 35 HB2 SER 35 11.428 -3.757 -13.834 263 2HB SER 35 HB1 SER 35 10.787 -4.611 -12.434 264 HG SER 35 HG SER 35 9.340 -4.338 -14.851 265 H GLN 36 HN GLN 36 8.333 -3.482 -10.898 266 HA GLN 36 HA GLN 36 5.806 -3.870 -12.470 267 1HB GLN 36 HB2 GLN 36 7.080 -5.314 -10.146 268 2HB GLN 36 HB1 GLN 36 5.351 -5.465 -10.462 269 1HG GLN 36 HG2 GLN 36 5.763 -6.964 -12.083 270 2HG GLN 36 HG1 GLN 36 6.753 -5.782 -12.940 271 1HE2 GLN 36 HE2 GLN 36 7.025 -8.844 -11.983 272 2HE2 GLN 36 HE2 GLN 36 8.644 -8.894 -11.475 273 H ARG 37 HN ARG 37 4.933 -1.767 -12.074 274 HA ARG 37 HA ARG 37 4.984 -0.462 -9.508 275 1HB ARG 37 HB2 ARG 37 3.303 1.000 -10.586 276 2HB ARG 37 HB1 ARG 37 4.636 0.654 -11.688 277 1HG ARG 37 HG2 ARG 37 3.349 -0.913 -12.925 278 2HG ARG 37 HG1 ARG 37 2.114 -1.009 -11.670 279 1HD ARG 37 HD2 ARG 37 1.182 0.389 -13.387 280 2HD ARG 37 HD1 ARG 37 1.709 1.503 -12.110 281 HE ARG 37 HE ARG 37 3.504 0.855 -14.415 282 1HH1 ARG 37 HH2 ARG 37 3.472 2.789 -11.786 283 2HH1 ARG 37 HH2 ARG 37 3.567 4.303 -12.623 284 1HH2 ARG 37 HH1 ARG 37 2.941 2.922 -15.740 285 2HH2 ARG 37 HH1 ARG 37 3.265 4.377 -14.861 286 H ALA 38 HN ALA 38 3.427 -0.457 -7.856 287 HA ALA 38 HA ALA 38 0.845 -1.777 -8.101 288 1HB ALA 38 HB1 ALA 38 2.165 -3.341 -6.122 289 2HB ALA 38 HB2 ALA 38 3.211 -3.318 -7.542 290 3HB ALA 38 HB3 ALA 38 1.546 -3.883 -7.682 291 H VAL 39 HN VAL 39 -0.424 -1.430 -6.190 292 HA VAL 39 HA VAL 39 0.571 0.716 -4.441 293 HB VAL 39 HB VAL 39 -2.042 -0.814 -4.647 294 1HG1 VAL 39 HG1 VAL 39 -2.917 1.193 -3.347 295 2HG1 VAL 39 HG1 VAL 39 -1.235 1.596 -3.002 296 3HG1 VAL 39 HG1 VAL 39 -1.913 0.075 -2.423 297 1HG2 VAL 39 HG2 VAL 39 -2.592 0.636 -6.291 298 2HG2 VAL 39 HG2 VAL 39 -0.892 1.101 -6.331 299 3HG2 VAL 39 HG2 VAL 39 -2.033 2.016 -5.345 300 H ILE 40 HN ILE 40 0.409 0.508 -2.054 301 HA ILE 40 HA ILE 40 0.653 -2.304 -1.069 302 HB ILE 40 HB ILE 40 2.469 0.086 -0.689 303 1HG1 ILE 40 HG1 ILE 40 3.395 -2.673 -1.321 304 2HG1 ILE 40 HG1 ILE 40 2.574 -1.776 -2.599 305 1HG2 ILE 40 HG2 ILE 40 2.200 -0.874 1.514 306 2HG2 ILE 40 HG2 ILE 40 3.756 -1.408 0.876 307 3HG2 ILE 40 HG2 ILE 40 2.377 -2.506 0.870 308 1HD1 ILE 40 HD1 ILE 40 5.015 -1.392 -2.673 309 2HD1 ILE 40 HD1 ILE 40 4.966 -0.790 -1.017 310 3HD1 ILE 40 HD1 ILE 40 4.148 0.097 -2.303 311 H PHE 41 HN PHE 41 0.016 -2.556 1.141 312 HA PHE 41 HA PHE 41 -1.314 -0.185 2.410 313 1HB PHE 41 HB2 PHE 41 -2.310 -3.037 2.066 314 2HB PHE 41 HB1 PHE 41 -3.124 -1.814 3.046 315 HD1 PHE 41 HD1 PHE 41 -3.234 -3.331 -0.050 316 HD2 PHE 41 HD2 PHE 41 -3.222 0.577 1.699 317 HE1 PHE 41 HE1 PHE 41 -4.318 -2.418 -2.087 318 HE2 PHE 41 HE2 PHE 41 -4.310 1.499 -0.328 319 HZ PHE 41 HZ PHE 41 -4.858 0.000 -2.224 320 H THR 42 HN THR 42 -0.698 0.019 4.580 321 HA THR 42 HA THR 42 0.951 -2.199 5.676 322 HB THR 42 HB THR 42 0.790 0.424 7.051 323 HG1 THR 42 HG1 THR 42 1.905 0.097 4.466 324 1HG2 THR 42 HG2 THR 42 2.464 -0.983 7.872 325 2HG2 THR 42 HG2 THR 42 3.358 0.039 6.745 326 3HG2 THR 42 HG2 THR 42 2.875 -1.589 6.267 327 H THR 43 HN THR 43 0.584 -3.009 7.785 328 HA THR 43 HA THR 43 -2.192 -2.586 8.789 329 HB THR 43 HB THR 43 -1.745 -4.820 9.865 330 HG1 THR 43 HG1 THR 43 0.325 -5.162 10.036 331 1HG2 THR 43 HG2 THR 43 -2.630 -4.378 7.439 332 2HG2 THR 43 HG2 THR 43 -2.159 -6.013 7.900 333 3HG2 THR 43 HG2 THR 43 -1.061 -5.016 6.946 334 H LYS 44 HN LYS 44 -2.311 -3.029 11.278 335 HA LYS 44 HA LYS 44 -0.783 -0.988 12.632 336 1HB LYS 44 HB2 LYS 44 -2.891 -2.999 13.218 337 2HB LYS 44 HB1 LYS 44 -1.973 -2.405 14.602 338 1HG LYS 44 HG2 LYS 44 -2.748 -0.261 12.768 339 2HG LYS 44 HG1 LYS 44 -4.138 -1.120 13.433 340 1HD LYS 44 HD2 LYS 44 -3.455 -0.679 15.681 341 2HD LYS 44 HD1 LYS 44 -1.863 -0.126 15.161 342 1HE LYS 44 HE2 LYS 44 -2.830 1.953 15.351 343 2HE LYS 44 HE1 LYS 44 -3.482 1.570 13.744 344 1HZ LYS 44 HZ1 LYS 44 -5.443 0.691 14.695 345 2HZ LYS 44 HZ2 LYS 44 -5.187 2.184 15.463 346 3HZ LYS 44 HZ3 LYS 44 -4.804 0.737 16.265 347 H ARG 45 HN ARG 45 -0.236 -4.362 12.031 348 HA ARG 45 HA ARG 45 1.638 -4.649 14.303 349 1HB ARG 45 HB2 ARG 45 0.084 -6.455 13.650 350 2HB ARG 45 HB1 ARG 45 0.816 -6.504 12.046 351 1HG ARG 45 HG2 ARG 45 2.629 -7.661 12.775 352 2HG ARG 45 HG1 ARG 45 2.753 -6.710 14.255 353 1HD ARG 45 HD2 ARG 45 0.479 -8.066 14.810 354 2HD ARG 45 HD1 ARG 45 1.289 -9.254 13.769 355 HE ARG 45 HE ARG 45 3.167 -9.271 15.311 356 1HH1 ARG 45 HH1 ARG 45 2.061 -6.318 16.061 357 2HH1 ARG 45 HH1 ARG 45 1.895 -6.558 17.768 358 1HH2 ARG 45 HH2 ARG 45 2.295 -9.998 17.593 359 2HH2 ARG 45 HH2 ARG 45 2.027 -8.641 18.635 360 H GLY 46 HN GLY 46 2.047 -2.876 11.753 361 1HA GLY 46 HA2 GLY 46 3.946 -2.198 10.548 362 2HA GLY 46 HA1 GLY 46 4.889 -3.300 11.552 363 H LYS 47 HN LYS 47 2.151 -4.518 9.774 364 HA LYS 47 HA LYS 47 4.015 -6.135 8.120 365 1HB LYS 47 HB2 LYS 47 1.772 -6.704 9.641 366 2HB LYS 47 HB1 LYS 47 1.136 -6.688 7.995 367 1HG LYS 47 HG2 LYS 47 1.911 -8.817 7.877 368 2HG LYS 47 HG1 LYS 47 3.496 -8.070 7.683 369 1HD LYS 47 HD2 LYS 47 4.063 -9.254 9.535 370 2HD LYS 47 HD1 LYS 47 3.176 -8.007 10.412 371 1HE LYS 47 HE2 LYS 47 1.322 -9.366 10.745 372 2HE LYS 47 HE1 LYS 47 1.625 -10.310 9.273 373 1HZ LYS 47 HZ1 LYS 47 2.291 -11.665 11.077 374 2HZ LYS 47 HZ2 LYS 47 3.138 -10.395 11.824 375 3HZ LYS 47 HZ3 LYS 47 3.722 -11.079 10.382 376 H LYS 48 HN LYS 48 4.504 -4.711 6.386 377 HA LYS 48 HA LYS 48 2.406 -3.221 4.995 378 1HB LYS 48 HB2 LYS 48 4.806 -2.528 5.304 379 2HB LYS 48 HB1 LYS 48 5.268 -3.826 4.202 380 1HG LYS 48 HG2 LYS 48 4.833 -2.490 2.448 381 2HG LYS 48 HG1 LYS 48 3.155 -2.353 2.975 382 1HD LYS 48 HD2 LYS 48 4.099 -0.121 2.861 383 2HD LYS 48 HD1 LYS 48 3.862 -0.539 4.558 384 1HE LYS 48 HE2 LYS 48 6.367 -1.456 4.296 385 2HE LYS 48 HE1 LYS 48 6.410 -0.209 3.033 386 1HZ LYS 48 HZ1 LYS 48 6.898 0.515 5.426 387 2HZ LYS 48 HZ2 LYS 48 5.228 0.340 5.685 388 3HZ LYS 48 HZ3 LYS 48 5.801 1.446 4.528 389 H VAL 49 HN VAL 49 1.215 -3.965 3.272 390 HA VAL 49 HA VAL 49 2.100 -6.543 1.996 391 HB VAL 49 HB VAL 49 -0.685 -5.461 2.521 392 1HG1 VAL 49 HG1 VAL 49 -1.115 -6.878 0.774 393 2HG1 VAL 49 HG1 VAL 49 -0.985 -8.108 2.030 394 3HG1 VAL 49 HG1 VAL 49 0.395 -7.763 0.988 395 1HG2 VAL 49 HG2 VAL 49 -0.386 -6.302 4.594 396 2HG2 VAL 49 HG2 VAL 49 1.204 -6.928 4.159 397 3HG2 VAL 49 HG2 VAL 49 -0.237 -7.900 3.862 398 H CYS 50 HN CYS 50 2.077 -6.632 -0.247 399 HA CYS 50 HA CYS 50 1.733 -4.086 -1.722 400 1HB CYS 50 HB2 CYS 50 2.851 -6.842 -2.231 401 2HB CYS 50 HB1 CYS 50 2.552 -5.753 -3.584 402 H THR 51 HN THR 51 0.258 -3.898 -3.518 403 HA THR 51 HA THR 51 -1.668 -6.109 -4.001 404 HB THR 51 HB THR 51 -3.571 -4.555 -3.581 405 HG1 THR 51 HG1 THR 51 -2.682 -2.584 -3.904 406 1HG2 THR 51 HG2 THR 51 -2.364 -6.004 -1.769 407 2HG2 THR 51 HG2 THR 51 -3.550 -4.803 -1.263 408 3HG2 THR 51 HG2 THR 51 -1.827 -4.447 -1.139 409 H HIS 52 HN HIS 52 -2.767 -5.849 -6.060 410 HA HIS 52 HA HIS 52 -1.219 -4.387 -8.049 411 1HB HIS 52 HB2 HIS 52 -2.789 -6.632 -7.963 412 2HB HIS 52 HB1 HIS 52 -3.871 -5.485 -8.755 413 HD1 HIS 52 HD1 HIS 52 -0.088 -5.834 -9.085 414 HD2 HIS 52 HD2 HIS 52 -3.518 -6.041 -11.446 415 HE1 HIS 52 HE1 HIS 52 0.703 -6.130 -11.472 416 HA PRO 53 HA PRO 53 -3.645 -0.696 -8.060 417 1HB PRO 53 HB2 PRO 53 -2.966 0.264 -10.524 418 2HB PRO 53 HB1 PRO 53 -1.855 0.293 -9.141 419 1HG PRO 53 HG2 PRO 53 -1.923 -1.535 -11.473 420 2HG PRO 53 HG1 PRO 53 -0.541 -0.915 -10.560 421 1HD PRO 53 HD2 PRO 53 -1.616 -3.447 -10.289 422 2HD PRO 53 HD1 PRO 53 -0.608 -2.630 -9.075 423 H ARG 54 HN ARG 54 -3.882 -2.995 -10.737 424 HA ARG 54 HA ARG 54 -6.111 -1.909 -12.129 425 1HB ARG 54 HB2 ARG 54 -4.821 -4.573 -11.723 426 2HB ARG 54 HB1 ARG 54 -6.420 -4.557 -12.468 427 1HG ARG 54 HG2 ARG 54 -4.846 -2.475 -13.654 428 2HG ARG 54 HG1 ARG 54 -3.915 -3.974 -13.694 429 1HD ARG 54 HD2 ARG 54 -5.792 -5.145 -14.769 430 2HD ARG 54 HD1 ARG 54 -6.772 -3.667 -14.689 431 HE ARG 54 HE ARG 54 -4.677 -4.173 -16.616 432 1HH1 ARG 54 HH1 ARG 54 -6.926 -2.284 -17.100 433 2HH1 ARG 54 HH1 ARG 54 -6.139 -0.742 -17.039 434 1HH2 ARG 54 HH2 ARG 54 -3.298 -1.957 -15.466 435 2HH2 ARG 54 HH2 ARG 54 -4.085 -0.558 -16.114 436 H LYS 55 HN LYS 55 -6.102 -4.440 -9.590 437 HA LYS 55 HA LYS 55 -8.845 -4.839 -9.227 438 1HB LYS 55 HB2 LYS 55 -6.594 -4.619 -7.208 439 2HB LYS 55 HB1 LYS 55 -8.160 -5.361 -6.876 440 1HG LYS 55 HG2 LYS 55 -7.712 -6.866 -8.897 441 2HG LYS 55 HG1 LYS 55 -6.049 -6.276 -8.834 442 1HD LYS 55 HD2 LYS 55 -7.287 -7.269 -6.300 443 2HD LYS 55 HD1 LYS 55 -6.775 -8.459 -7.498 444 1HE LYS 55 HE2 LYS 55 -4.503 -7.510 -7.507 445 2HE LYS 55 HE1 LYS 55 -5.008 -6.272 -6.340 446 1HZ LYS 55 HZ1 LYS 55 -4.154 -7.988 -5.023 447 2HZ LYS 55 HZ2 LYS 55 -4.875 -9.204 -5.963 448 3HZ LYS 55 HZ3 LYS 55 -5.833 -8.224 -4.959 449 H LYS 56 HN LYS 56 -10.329 -3.123 -9.158 450 HA LYS 56 HA LYS 56 -9.930 -0.497 -8.213 451 1HB LYS 56 HB2 LYS 56 -12.074 -2.244 -8.970 452 2HB LYS 56 HB1 LYS 56 -12.550 -1.413 -7.489 453 1HG LYS 56 HG2 LYS 56 -11.229 0.347 -9.433 454 2HG LYS 56 HG1 LYS 56 -12.735 -0.351 -10.032 455 1HD LYS 56 HD2 LYS 56 -13.109 0.457 -7.301 456 2HD LYS 56 HD1 LYS 56 -12.429 1.807 -8.209 457 1HE LYS 56 HE2 LYS 56 -14.592 2.176 -8.861 458 2HE LYS 56 HE1 LYS 56 -14.321 0.815 -9.968 459 1HZ LYS 56 HZ1 LYS 56 -15.491 0.758 -7.248 460 2HZ LYS 56 HZ2 LYS 56 -14.869 -0.642 -7.984 461 3HZ LYS 56 HZ3 LYS 56 -16.171 0.188 -8.694 462 H TRP 57 HN TRP 57 -10.391 -3.488 -6.498 463 HA TRP 57 HA TRP 57 -11.178 -2.812 -3.919 464 1HB TRP 57 HB2 TRP 57 -10.639 -5.051 -4.877 465 2HB TRP 57 HB1 TRP 57 -8.929 -4.635 -4.848 466 HD1 TRP 57 HD1 TRP 57 -11.645 -6.052 -2.789 467 HE1 TRP 57 HE1 TRP 57 -10.805 -6.504 -0.387 468 HE3 TRP 57 HE3 TRP 57 -7.213 -3.545 -2.929 469 HZ2 TRP 57 HZ2 TRP 57 -8.528 -5.882 1.243 470 HZ3 TRP 57 HZ3 TRP 57 -5.729 -3.492 -0.949 471 HH2 TRP 57 HH2 TRP 57 -6.380 -4.654 1.137 472 H VAL 58 HN VAL 58 -7.906 -2.565 -5.323 473 HA VAL 58 HA VAL 58 -6.642 -1.531 -2.942 474 HB VAL 58 HB VAL 58 -5.984 -1.396 -5.901 475 1HG1 VAL 58 HG1 VAL 58 -4.838 0.281 -4.246 476 2HG1 VAL 58 HG1 VAL 58 -3.833 -0.638 -5.365 477 3HG1 VAL 58 HG1 VAL 58 -3.971 -1.146 -3.681 478 1HG2 VAL 58 HG2 VAL 58 -5.458 -3.354 -3.688 479 2HG2 VAL 58 HG2 VAL 58 -4.276 -3.188 -4.984 480 3HG2 VAL 58 HG2 VAL 58 -5.933 -3.665 -5.358 481 H GLN 59 HN GLN 59 -8.220 -0.046 -5.759 482 HA GLN 59 HA GLN 59 -7.467 2.667 -5.231 483 1HB GLN 59 HB2 GLN 59 -9.931 1.464 -6.544 484 2HB GLN 59 HB1 GLN 59 -9.397 3.135 -6.727 485 1HG GLN 59 HG2 GLN 59 -7.343 1.073 -7.285 486 2HG GLN 59 HG1 GLN 59 -8.682 1.146 -8.433 487 1HE2 GLN 59 HE2 GLN 59 -6.279 3.289 -6.815 488 2HE2 GLN 59 HE2 GLN 59 -6.178 4.393 -8.100 489 H LYS 60 HN LYS 60 -10.096 0.596 -4.056 490 HA LYS 60 HA LYS 60 -11.475 2.745 -2.669 491 1HB LYS 60 HB2 LYS 60 -12.036 0.183 -3.488 492 2HB LYS 60 HB1 LYS 60 -11.819 -0.040 -1.752 493 1HG LYS 60 HG2 LYS 60 -13.806 0.929 -1.321 494 2HG LYS 60 HG1 LYS 60 -13.362 2.352 -2.263 495 1HD LYS 60 HD2 LYS 60 -14.996 1.682 -3.688 496 2HD LYS 60 HD1 LYS 60 -13.821 0.485 -4.232 497 1HE LYS 60 HE2 LYS 60 -15.582 -0.933 -3.688 498 2HE LYS 60 HE1 LYS 60 -14.791 -0.846 -2.101 499 1HZ LYS 60 HZ1 LYS 60 -16.176 1.231 -1.750 500 2HZ LYS 60 HZ2 LYS 60 -17.009 -0.249 -1.697 501 3HZ LYS 60 HZ3 LYS 60 -17.098 0.730 -3.083 502 H TYR 61 HN TYR 61 -8.831 0.570 -1.953 503 HA TYR 61 HA TYR 61 -8.955 0.965 0.943 504 1HB TYR 61 HB2 TYR 61 -7.482 -0.593 -1.044 505 2HB TYR 61 HB1 TYR 61 -6.445 -0.015 0.260 506 HD1 TYR 61 HD1 TYR 61 -6.200 -1.528 2.010 507 HD2 TYR 61 HD2 TYR 61 -9.974 -1.278 -0.026 508 HE1 TYR 61 HE1 TYR 61 -7.132 -3.257 3.525 509 HE2 TYR 61 HE2 TYR 61 -10.906 -3.007 1.489 510 HH TYR 61 HH TYR 61 -10.013 -4.881 2.907 511 H ILE 62 HN ILE 62 -7.079 2.312 -1.765 512 HA ILE 62 HA ILE 62 -5.256 3.838 -0.131 513 HB ILE 62 HB ILE 62 -6.305 4.282 -2.950 514 1HG1 ILE 62 HG1 ILE 62 -3.722 2.983 -2.034 515 2HG1 ILE 62 HG1 ILE 62 -5.167 2.067 -2.454 516 1HG2 ILE 62 HG2 ILE 62 -3.676 5.223 -2.716 517 2HG2 ILE 62 HG2 ILE 62 -4.478 5.791 -1.252 518 3HG2 ILE 62 HG2 ILE 62 -5.131 6.212 -2.836 519 1HD1 ILE 62 HD1 ILE 62 -4.975 3.702 -4.621 520 2HD1 ILE 62 HD1 ILE 62 -4.259 2.093 -4.551 521 3HD1 ILE 62 HD1 ILE 62 -3.272 3.512 -4.210 522 H SER 63 HN SER 63 -8.383 4.611 -1.681 523 HA SER 63 HA SER 63 -8.544 7.343 -0.866 524 1HB SER 63 HB2 SER 63 -10.248 5.216 -1.932 525 2HB SER 63 HB1 SER 63 -11.136 6.297 -0.862 526 HG SER 63 HG SER 63 -10.514 8.020 -2.124 527 H LEU 64 HN LEU 64 -9.713 4.352 0.715 528 HA LEU 64 HA LEU 64 -10.749 5.671 3.064 529 1HB LEU 64 HB2 LEU 64 -10.281 2.984 2.007 530 2HB LEU 64 HB1 LEU 64 -10.002 3.065 3.747 531 HG LEU 64 HG LEU 64 -12.439 4.412 2.659 532 1HD1 LEU 64 HD1 LEU 64 -11.902 1.477 2.632 533 2HD1 LEU 64 HD1 LEU 64 -12.936 2.438 1.577 534 3HD1 LEU 64 HD1 LEU 64 -13.488 2.004 3.195 535 1HD2 LEU 64 HD2 LEU 64 -12.533 4.657 4.921 536 2HD2 LEU 64 HD2 LEU 64 -11.392 3.343 5.202 537 3HD2 LEU 64 HD2 LEU 64 -13.095 2.985 4.915 538 H LEU 65 HN LEU 65 -7.683 3.915 2.434 539 HA LEU 65 HA LEU 65 -6.533 4.663 5.008 540 1HB LEU 65 HB2 LEU 65 -5.500 3.433 2.436 541 2HB LEU 65 HB1 LEU 65 -4.440 3.743 3.807 542 HG LEU 65 HG LEU 65 -6.858 1.914 3.734 543 1HD1 LEU 65 HD1 LEU 65 -5.360 0.186 3.727 544 2HD1 LEU 65 HD1 LEU 65 -4.224 1.037 4.773 545 3HD1 LEU 65 HD1 LEU 65 -4.274 1.394 3.051 546 1HD2 LEU 65 HD2 LEU 65 -5.865 1.471 6.172 547 2HD2 LEU 65 HD2 LEU 65 -7.076 2.721 5.894 548 3HD2 LEU 65 HD2 LEU 65 -5.370 3.155 6.013 549 H LYS 66 HN LYS 66 -7.298 7.060 4.218 550 HA LYS 66 HA LYS 66 -6.541 9.248 3.765 551 1HB LYS 66 HB2 LYS 66 -4.303 7.651 4.679 552 2HB LYS 66 HB1 LYS 66 -3.749 8.855 3.515 553 1HG LYS 66 HG2 LYS 66 -5.429 10.385 4.985 554 2HG LYS 66 HG1 LYS 66 -4.915 9.234 6.220 555 1HD LYS 66 HD2 LYS 66 -2.712 9.925 6.147 556 2HD LYS 66 HD1 LYS 66 -2.812 10.415 4.455 557 1HE LYS 66 HE2 LYS 66 -2.957 12.542 5.264 558 2HE LYS 66 HE1 LYS 66 -4.620 12.117 5.716 559 1HZ LYS 66 HZ1 LYS 66 -3.587 12.774 7.710 560 2HZ LYS 66 HZ2 LYS 66 -2.168 11.905 7.367 561 3HZ LYS 66 HZ3 LYS 66 -3.599 11.079 7.764 562 H THR 67 HN THR 67 -7.119 9.855 1.707 563 HA THR 67 HA THR 67 -6.122 8.496 -0.668 564 HB THR 67 HB THR 67 -8.386 9.485 -0.423 565 HG1 THR 67 HG1 THR 67 -6.927 10.926 -2.366 566 1HG2 THR 67 HG2 THR 67 -7.091 11.575 0.771 567 2HG2 THR 67 HG2 THR 67 -8.746 11.649 0.166 568 3HG2 THR 67 HG2 THR 67 -7.416 12.241 -0.830 569 HA PRO 68 HA PRO 68 -2.536 11.063 -1.142 570 1HB PRO 68 HB2 PRO 68 -1.926 10.424 -3.728 571 2HB PRO 68 HB1 PRO 68 -1.621 9.327 -2.366 572 1HG PRO 68 HG2 PRO 68 -3.789 9.276 -4.389 573 2HG PRO 68 HG1 PRO 68 -2.955 7.936 -3.589 574 1HD PRO 68 HD2 PRO 68 -5.471 8.852 -2.920 575 2HD PRO 68 HD1 PRO 68 -4.408 7.920 -1.843 576 H LYS 69 HN LYS 69 -2.185 13.172 -1.899 577 HA LYS 69 HA LYS 69 -3.401 14.248 -4.294 578 1HB LYS 69 HB2 LYS 69 -5.098 15.641 -3.175 579 2HB LYS 69 HB1 LYS 69 -5.388 13.936 -2.833 580 1HG LYS 69 HG2 LYS 69 -5.370 14.491 -0.645 581 2HG LYS 69 HG1 LYS 69 -3.633 14.741 -0.818 582 1HD LYS 69 HD2 LYS 69 -3.825 17.022 -0.874 583 2HD LYS 69 HD1 LYS 69 -5.375 16.973 -1.716 584 1HE LYS 69 HE2 LYS 69 -6.240 15.953 0.572 585 2HE LYS 69 HE1 LYS 69 -4.819 16.791 1.227 586 1HZ LYS 69 HZ1 LYS 69 -5.530 18.790 0.011 587 2HZ LYS 69 HZ2 LYS 69 -6.674 18.307 1.170 588 3HZ LYS 69 HZ3 LYS 69 -6.941 17.987 -0.477 589 H GLN 70 HN GLN 70 -2.245 16.076 -4.838 590 HA GLN 70 HA GLN 70 -0.512 17.287 -2.716 591 1HB GLN 70 HB2 GLN 70 0.136 16.138 -5.093 592 2HB GLN 70 HB1 GLN 70 -0.061 17.815 -5.605 593 1HG GLN 70 HG2 GLN 70 2.007 18.223 -4.812 594 2HG GLN 70 HG1 GLN 70 1.374 17.943 -3.190 595 1HE2 GLN 70 HE2 GLN 70 2.116 15.748 -5.966 596 2HE2 GLN 70 HE2 GLN 70 3.062 14.677 -5.050 597 H LEU 71 HN LEU 71 0.054 19.711 -3.543 598 HA LEU 71 HA LEU 71 -2.404 21.223 -3.297 599 1HB LEU 71 HB2 LEU 71 -0.852 23.129 -3.453 600 2HB LEU 71 HB1 LEU 71 -0.180 21.882 -2.403 601 HG LEU 71 HG LEU 71 0.620 21.284 -5.075 602 1HD1 LEU 71 HD1 LEU 71 0.553 24.166 -4.402 603 2HD1 LEU 71 HD1 LEU 71 0.621 23.378 -5.979 604 3HD1 LEU 71 HD1 LEU 71 2.094 23.576 -5.027 605 1HD2 LEU 71 HD2 LEU 71 2.628 22.519 -3.329 606 2HD2 LEU 71 HD2 LEU 71 2.559 20.878 -3.971 607 3HD2 LEU 71 HD2 LEU 71 1.670 21.289 -2.505 Start of MODEL 19 1 1H THR 1 HT1 THR 1 7.222 -16.556 -0.410 2 2H THR 1 HT2 THR 1 8.273 -17.122 0.800 3 3H THR 1 HT3 THR 1 7.203 -15.845 1.130 4 HA THR 1 HA THR 1 5.352 -17.518 0.560 5 HB THR 1 HB THR 1 7.798 -19.248 1.054 6 HG1 THR 1 HG1 THR 1 7.680 -19.685 -1.033 7 1HG2 THR 1 HG2 THR 1 4.908 -20.034 0.595 8 2HG2 THR 1 HG2 THR 1 5.758 -20.141 2.136 9 3HG2 THR 1 HG2 THR 1 6.266 -21.144 0.778 10 H ARG 2 HN ARG 2 8.092 -17.725 2.861 11 HA ARG 2 HA ARG 2 6.147 -17.275 5.086 12 1HB ARG 2 HB2 ARG 2 6.903 -19.750 4.493 13 2HB ARG 2 HB1 ARG 2 8.358 -19.283 5.373 14 1HG ARG 2 HG2 ARG 2 6.827 -20.275 6.960 15 2HG ARG 2 HG1 ARG 2 6.876 -18.539 7.273 16 1HD ARG 2 HD2 ARG 2 4.613 -18.554 7.071 17 2HD ARG 2 HD1 ARG 2 4.852 -18.872 5.340 18 HE ARG 2 HE ARG 2 5.058 -21.229 7.099 19 1HH1 ARG 2 HH2 ARG 2 2.246 -20.134 7.219 20 2HH1 ARG 2 HH2 ARG 2 1.485 -20.982 5.915 21 1HH2 ARG 2 HH1 ARG 2 4.472 -21.961 4.455 22 2HH2 ARG 2 HH1 ARG 2 2.744 -22.016 4.351 23 H GLY 3 HN GLY 3 7.584 -15.164 4.333 24 1HA GLY 3 HA2 GLY 3 9.746 -15.005 6.378 25 2HA GLY 3 HA1 GLY 3 10.068 -14.440 4.738 26 H SER 4 HN SER 4 9.451 -13.238 7.657 27 HA SER 4 HA SER 4 7.456 -11.196 6.801 28 1HB SER 4 HB2 SER 4 8.250 -12.541 9.237 29 2HB SER 4 HB1 SER 4 8.332 -10.796 9.462 30 HG SER 4 HG SER 4 6.181 -10.736 8.547 31 H ASP 5 HN ASP 5 9.802 -10.844 5.411 32 HA ASP 5 HA ASP 5 10.803 -8.298 6.525 33 1HB ASP 5 HB2 ASP 5 12.235 -10.069 7.482 34 2HB ASP 5 HB1 ASP 5 12.570 -10.674 5.859 35 H ILE 6 HN ILE 6 9.191 -8.898 4.204 36 HA ILE 6 HA ILE 6 11.080 -8.009 2.057 37 HB ILE 6 HB ILE 6 8.863 -10.079 1.872 38 1HG1 ILE 6 HG1 ILE 6 10.897 -10.878 3.044 39 2HG1 ILE 6 HG1 ILE 6 10.714 -11.659 1.473 40 1HG2 ILE 6 HG2 ILE 6 8.880 -9.270 -0.280 41 2HG2 ILE 6 HG2 ILE 6 10.271 -10.347 -0.408 42 3HG2 ILE 6 HG2 ILE 6 10.514 -8.622 -0.134 43 1HD1 ILE 6 HD1 ILE 6 12.166 -9.261 1.033 44 2HD1 ILE 6 HD1 ILE 6 12.756 -10.916 0.897 45 3HD1 ILE 6 HD1 ILE 6 12.899 -10.052 2.427 46 H SER 7 HN SER 7 9.341 -6.343 3.659 47 HA SER 7 HA SER 7 7.050 -5.749 1.864 48 1HB SER 7 HB2 SER 7 6.599 -4.147 3.875 49 2HB SER 7 HB1 SER 7 6.401 -5.880 4.122 50 HG SER 7 HG SER 7 8.263 -4.128 5.145 51 H LYS 8 HN LYS 8 9.651 -5.113 0.838 52 HA LYS 8 HA LYS 8 10.527 -2.449 1.332 53 1HB LYS 8 HB2 LYS 8 10.770 -4.539 -0.754 54 2HB LYS 8 HB1 LYS 8 11.088 -2.894 -1.306 55 1HG LYS 8 HG2 LYS 8 12.971 -2.677 -0.018 56 2HG LYS 8 HG1 LYS 8 12.322 -3.676 1.283 57 1HD LYS 8 HD2 LYS 8 12.612 -5.323 -1.038 58 2HD LYS 8 HD1 LYS 8 14.124 -4.448 -0.794 59 1HE LYS 8 HE2 LYS 8 13.286 -5.279 1.784 60 2HE LYS 8 HE1 LYS 8 13.092 -6.682 0.713 61 1HZ LYS 8 HZ1 LYS 8 15.309 -6.322 -0.138 62 2HZ LYS 8 HZ2 LYS 8 15.374 -6.485 1.551 63 3HZ LYS 8 HZ3 LYS 8 15.504 -4.949 0.837 64 H THR 9 HN THR 9 10.365 -0.791 -0.656 65 HA THR 9 HA THR 9 7.595 0.052 -0.800 66 HB THR 9 HB THR 9 9.585 1.544 -0.710 67 HG1 THR 9 HG1 THR 9 7.953 1.699 -3.018 68 1HG2 THR 9 HG2 THR 9 10.099 0.326 -3.430 69 2HG2 THR 9 HG2 THR 9 11.170 0.324 -2.029 70 3HG2 THR 9 HG2 THR 9 10.850 1.829 -2.891 71 H CYS 10 HN CYS 10 9.648 -1.930 -2.803 72 HA CYS 10 HA CYS 10 8.126 -1.599 -5.269 73 1HB CYS 10 HB2 CYS 10 10.086 -3.711 -4.309 74 2HB CYS 10 HB1 CYS 10 9.574 -3.482 -5.979 75 H CYS 11 HN CYS 11 7.330 -3.883 -6.243 76 HA CYS 11 HA CYS 11 5.919 -5.497 -4.182 77 1HB CYS 11 HB2 CYS 11 4.660 -3.786 -6.337 78 2HB CYS 11 HB1 CYS 11 3.787 -5.097 -5.547 79 H PHE 12 HN PHE 12 4.925 -7.454 -5.171 80 HA PHE 12 HA PHE 12 5.632 -8.133 -7.938 81 1HB PHE 12 HB2 PHE 12 7.007 -10.123 -7.098 82 2HB PHE 12 HB1 PHE 12 7.761 -8.541 -6.908 83 HD1 PHE 12 HD1 PHE 12 6.515 -11.485 -5.210 84 HD2 PHE 12 HD2 PHE 12 7.614 -7.370 -4.663 85 HE1 PHE 12 HE1 PHE 12 6.690 -11.858 -2.764 86 HE2 PHE 12 HE2 PHE 12 7.789 -7.741 -2.217 87 HZ PHE 12 HZ PHE 12 7.327 -9.985 -1.268 88 H GLN 13 HN GLN 13 4.571 -9.370 -4.760 89 HA GLN 13 HA GLN 13 2.630 -11.132 -6.196 90 1HB GLN 13 HB2 GLN 13 4.618 -11.719 -4.344 91 2HB GLN 13 HB1 GLN 13 3.149 -11.693 -3.370 92 1HG GLN 13 HG2 GLN 13 2.272 -13.071 -5.544 93 2HG GLN 13 HG1 GLN 13 3.963 -13.571 -5.510 94 1HE2 GLN 13 HE2 GLN 13 2.231 -15.594 -4.949 95 2HE2 GLN 13 HE2 GLN 13 2.186 -15.934 -3.285 96 H TYR 14 HN TYR 14 0.590 -10.289 -6.088 97 HA TYR 14 HA TYR 14 -0.128 -8.366 -3.972 98 1HB TYR 14 HB2 TYR 14 -1.721 -9.515 -6.286 99 2HB TYR 14 HB1 TYR 14 -2.115 -8.064 -5.367 100 HD1 TYR 14 HD1 TYR 14 -0.882 -9.053 -8.403 101 HD2 TYR 14 HD2 TYR 14 0.180 -6.481 -5.130 102 HE1 TYR 14 HE1 TYR 14 0.542 -7.706 -9.924 103 HE2 TYR 14 HE2 TYR 14 1.603 -5.134 -6.651 104 HH TYR 14 HH TYR 14 2.858 -5.909 -9.159 105 H SER 15 HN SER 15 -1.770 -8.754 -2.415 106 HA SER 15 HA SER 15 -2.256 -11.594 -1.779 107 1HB SER 15 HB2 SER 15 -2.987 -9.003 -0.380 108 2HB SER 15 HB1 SER 15 -3.115 -10.614 0.323 109 HG SER 15 HG SER 15 -0.747 -9.353 -0.622 110 H HIS 16 HN HIS 16 -4.064 -8.733 -2.828 111 HA HIS 16 HA HIS 16 -6.310 -8.501 -3.532 112 1HB HIS 16 HB2 HIS 16 -5.363 -10.116 -5.167 113 2HB HIS 16 HB1 HIS 16 -5.834 -11.445 -4.108 114 HD1 HIS 16 HD1 HIS 16 -7.999 -12.467 -4.764 115 HD2 HIS 16 HD2 HIS 16 -7.886 -8.410 -5.720 116 HE1 HIS 16 HE1 HIS 16 -10.216 -11.927 -5.864 117 H LYS 17 HN LYS 17 -6.769 -8.315 -1.078 118 HA LYS 17 HA LYS 17 -9.024 -10.025 -0.407 119 1HB LYS 17 HB2 LYS 17 -7.907 -11.004 1.621 120 2HB LYS 17 HB1 LYS 17 -7.196 -11.555 0.103 121 1HG LYS 17 HG2 LYS 17 -5.210 -10.875 0.936 122 2HG LYS 17 HG1 LYS 17 -5.783 -9.226 0.685 123 1HD LYS 17 HD2 LYS 17 -5.028 -9.543 3.011 124 2HD LYS 17 HD1 LYS 17 -6.762 -9.222 2.952 125 1HE LYS 17 HE2 LYS 17 -7.107 -11.154 4.083 126 2HE LYS 17 HE1 LYS 17 -6.440 -12.041 2.696 127 1HZ LYS 17 HZ1 LYS 17 -4.661 -10.664 4.606 128 2HZ LYS 17 HZ2 LYS 17 -4.300 -11.941 3.546 129 3HZ LYS 17 HZ3 LYS 17 -5.230 -12.226 4.940 130 HA PRO 18 HA PRO 18 -9.765 -6.371 1.971 131 1HB PRO 18 HB2 PRO 18 -11.842 -7.240 3.514 132 2HB PRO 18 HB1 PRO 18 -12.013 -6.879 1.786 133 1HG PRO 18 HG2 PRO 18 -11.801 -9.495 3.159 134 2HG PRO 18 HG1 PRO 18 -12.714 -9.047 1.711 135 1HD PRO 18 HD2 PRO 18 -10.303 -10.408 1.715 136 2HD PRO 18 HD1 PRO 18 -10.970 -9.517 0.331 137 H LEU 19 HN LEU 19 -7.982 -6.101 3.371 138 HA LEU 19 HA LEU 19 -7.372 -7.871 5.574 139 1HB LEU 19 HB2 LEU 19 -6.196 -5.769 4.189 140 2HB LEU 19 HB1 LEU 19 -6.488 -5.083 5.787 141 HG LEU 19 HG LEU 19 -5.435 -7.815 5.898 142 1HD1 LEU 19 HD1 LEU 19 -4.267 -7.062 3.859 143 2HD1 LEU 19 HD1 LEU 19 -3.143 -7.189 5.212 144 3HD1 LEU 19 HD1 LEU 19 -3.730 -5.607 4.699 145 1HD2 LEU 19 HD2 LEU 19 -4.080 -5.379 7.002 146 2HD2 LEU 19 HD2 LEU 19 -4.310 -6.962 7.745 147 3HD2 LEU 19 HD2 LEU 19 -5.658 -5.828 7.651 148 HA PRO 20 HA PRO 20 -10.299 -6.387 8.529 149 1HB PRO 20 HB2 PRO 20 -8.909 -6.883 10.847 150 2HB PRO 20 HB1 PRO 20 -9.703 -8.156 9.898 151 1HG PRO 20 HG2 PRO 20 -6.832 -7.345 9.946 152 2HG PRO 20 HG1 PRO 20 -7.546 -8.967 9.898 153 1HD PRO 20 HD2 PRO 20 -6.535 -7.773 7.698 154 2HD PRO 20 HD1 PRO 20 -7.922 -8.883 7.625 155 H TRP 21 HN TRP 21 -10.485 -4.173 8.424 156 HA TRP 21 HA TRP 21 -8.594 -2.166 8.484 157 1HB TRP 21 HB2 TRP 21 -11.374 -2.307 9.676 158 2HB TRP 21 HB1 TRP 21 -10.491 -0.792 9.467 159 HD1 TRP 21 HD1 TRP 21 -12.561 -3.288 7.625 160 HE1 TRP 21 HE1 TRP 21 -12.701 -2.647 5.129 161 HE3 TRP 21 HE3 TRP 21 -8.997 0.361 7.453 162 HZ2 TRP 21 HZ2 TRP 21 -11.458 -0.829 3.302 163 HZ3 TRP 21 HZ3 TRP 21 -8.492 1.531 5.327 164 HH2 TRP 21 HH2 TRP 21 -9.717 0.942 3.253 165 H THR 22 HN THR 22 -9.699 -4.041 11.242 166 HA THR 22 HA THR 22 -8.871 -2.350 13.367 167 HB THR 22 HB THR 22 -8.491 -4.741 14.413 168 HG1 THR 22 HG1 THR 22 -9.583 -6.308 13.122 169 1HG2 THR 22 HG2 THR 22 -11.260 -4.604 13.440 170 2HG2 THR 22 HG2 THR 22 -10.667 -3.079 14.100 171 3HG2 THR 22 HG2 THR 22 -10.645 -4.538 15.092 172 H TRP 23 HN TRP 23 -7.053 -4.450 11.212 173 HA TRP 23 HA TRP 23 -4.532 -3.816 12.669 174 1HB TRP 23 HB2 TRP 23 -5.697 -6.116 11.338 175 2HB TRP 23 HB1 TRP 23 -4.108 -5.750 10.673 176 HD1 TRP 23 HD1 TRP 23 -5.004 -5.065 14.333 177 HE1 TRP 23 HE1 TRP 23 -3.544 -6.573 15.833 178 HE3 TRP 23 HE3 TRP 23 -2.762 -7.951 10.768 179 HZ2 TRP 23 HZ2 TRP 23 -1.673 -8.720 15.554 180 HZ3 TRP 23 HZ3 TRP 23 -1.148 -9.718 11.410 181 HH2 TRP 23 HH2 TRP 23 -0.600 -10.106 13.797 182 H VAL 24 HN VAL 24 -6.286 -2.586 10.124 183 HA VAL 24 HA VAL 24 -4.022 -2.274 8.251 184 HB VAL 24 HB VAL 24 -6.844 -1.165 8.190 185 1HG1 VAL 24 HG1 VAL 24 -5.091 -1.681 5.803 186 2HG1 VAL 24 HG1 VAL 24 -4.865 -0.200 6.731 187 3HG1 VAL 24 HG1 VAL 24 -6.422 -0.537 5.977 188 1HG2 VAL 24 HG2 VAL 24 -6.913 -3.107 6.377 189 2HG2 VAL 24 HG2 VAL 24 -7.209 -3.459 8.078 190 3HG2 VAL 24 HG2 VAL 24 -5.624 -3.781 7.375 191 H ARG 25 HN ARG 25 -3.109 -0.189 7.737 192 HA ARG 25 HA ARG 25 -3.686 1.948 9.763 193 1HB ARG 25 HB2 ARG 25 -1.542 0.447 9.883 194 2HB ARG 25 HB1 ARG 25 -0.979 1.455 8.550 195 1HG ARG 25 HG2 ARG 25 -1.656 3.459 10.037 196 2HG ARG 25 HG1 ARG 25 -1.692 2.291 11.358 197 1HD ARG 25 HD2 ARG 25 0.709 2.540 9.531 198 2HD ARG 25 HD1 ARG 25 0.543 3.509 11.008 199 HE ARG 25 HE ARG 25 0.316 0.527 11.094 200 1HH1 ARG 25 HH2 ARG 25 -0.080 2.224 13.559 201 2HH1 ARG 25 HH2 ARG 25 1.483 2.135 14.300 202 1HH2 ARG 25 HH1 ARG 25 3.064 0.971 11.441 203 2HH2 ARG 25 HH1 ARG 25 3.264 1.425 13.101 204 H SER 26 HN SER 26 -1.806 1.581 6.706 205 HA SER 26 HA SER 26 -3.386 3.775 5.486 206 1HB SER 26 HB2 SER 26 -1.304 5.122 5.175 207 2HB SER 26 HB1 SER 26 -1.716 4.903 6.872 208 HG SER 26 HG SER 26 0.485 4.465 6.490 209 H TYR 27 HN TYR 27 -1.537 4.370 3.416 210 HA TYR 27 HA TYR 27 -0.820 1.771 2.187 211 1HB TYR 27 HB2 TYR 27 -2.556 1.769 0.720 212 2HB TYR 27 HB1 TYR 27 -3.303 2.932 1.803 213 HD1 TYR 27 HD1 TYR 27 -1.862 2.365 -1.464 214 HD2 TYR 27 HD2 TYR 27 -3.003 5.407 1.342 215 HE1 TYR 27 HE1 TYR 27 -1.815 4.050 -3.277 216 HE2 TYR 27 HE2 TYR 27 -2.958 7.095 -0.469 217 HH TYR 27 HH TYR 27 -1.449 6.905 -3.125 218 H GLU 28 HN GLU 28 -0.020 2.414 -0.234 219 HA GLU 28 HA GLU 28 1.149 4.979 -0.710 220 1HB GLU 28 HB2 GLU 28 3.524 4.355 -0.150 221 2HB GLU 28 HB1 GLU 28 2.485 4.470 1.268 222 1HG GLU 28 HG2 GLU 28 2.095 1.919 0.907 223 2HG GLU 28 HG1 GLU 28 3.549 2.003 -0.089 224 H PHE 29 HN PHE 29 2.026 5.004 -2.815 225 HA PHE 29 HA PHE 29 1.686 2.553 -4.403 226 1HB PHE 29 HB2 PHE 29 1.619 5.364 -4.768 227 2HB PHE 29 HB1 PHE 29 2.929 4.764 -5.784 228 HD1 PHE 29 HD1 PHE 29 -0.545 5.323 -5.634 229 HD2 PHE 29 HD2 PHE 29 2.352 2.519 -7.113 230 HE1 PHE 29 HE1 PHE 29 -2.203 4.469 -7.270 231 HE2 PHE 29 HE2 PHE 29 0.695 1.664 -8.745 232 HZ PHE 29 HZ PHE 29 -1.583 2.640 -8.825 233 H THR 30 HN THR 30 3.441 1.691 -5.761 234 HA THR 30 HA THR 30 5.876 1.176 -4.387 235 HB THR 30 HB THR 30 6.516 0.562 -6.889 236 HG1 THR 30 HG1 THR 30 5.015 1.546 -8.055 237 1HG2 THR 30 HG2 THR 30 5.853 -1.018 -5.066 238 2HG2 THR 30 HG2 THR 30 5.274 -1.514 -6.655 239 3HG2 THR 30 HG2 THR 30 4.166 -0.761 -5.507 240 H SER 31 HN SER 31 8.070 1.892 -5.000 241 HA SER 31 HA SER 31 8.233 4.772 -5.415 242 1HB SER 31 HB2 SER 31 9.701 3.446 -3.908 243 2HB SER 31 HB1 SER 31 10.350 2.597 -5.308 244 HG SER 31 HG SER 31 11.559 4.266 -5.724 245 H ASN 32 HN ASN 32 9.901 5.586 -7.114 246 HA ASN 32 HA ASN 32 9.098 4.530 -9.753 247 1HB ASN 32 HB2 ASN 32 10.616 6.920 -8.698 248 2HB ASN 32 HB1 ASN 32 10.525 6.582 -10.427 249 1HD2 ASN 32 HD2 ASN 32 8.799 7.917 -7.735 250 2HD2 ASN 32 HD2 ASN 32 7.336 8.207 -8.544 251 H SER 33 HN SER 33 10.628 2.597 -8.533 252 HA SER 33 HA SER 33 12.902 2.360 -10.335 253 1HB SER 33 HB2 SER 33 14.646 2.707 -8.782 254 2HB SER 33 HB1 SER 33 13.500 3.981 -8.374 255 HG SER 33 HG SER 33 14.120 2.879 -6.509 256 H CYS 34 HN CYS 34 10.525 0.820 -9.522 257 HA CYS 34 HA CYS 34 11.820 -1.565 -8.250 258 1HB CYS 34 HB2 CYS 34 8.951 -0.600 -8.435 259 2HB CYS 34 HB1 CYS 34 9.421 -2.145 -7.724 260 H SER 35 HN SER 35 9.973 -3.480 -9.052 261 HA SER 35 HA SER 35 10.794 -3.972 -11.807 262 1HB SER 35 HB2 SER 35 9.557 -5.353 -9.538 263 2HB SER 35 HB1 SER 35 8.876 -5.846 -11.085 264 HG SER 35 HG SER 35 11.034 -6.752 -10.093 265 H GLN 36 HN GLN 36 7.619 -3.515 -10.201 266 HA GLN 36 HA GLN 36 6.569 -2.369 -12.748 267 1HB GLN 36 HB2 GLN 36 6.096 -4.996 -11.700 268 2HB GLN 36 HB1 GLN 36 4.592 -4.081 -11.600 269 1HG GLN 36 HG2 GLN 36 6.288 -4.179 -14.104 270 2HG GLN 36 HG1 GLN 36 4.967 -5.306 -13.796 271 1HE2 GLN 36 HE2 GLN 36 4.638 -3.697 -16.008 272 2HE2 GLN 36 HE2 GLN 36 3.500 -2.476 -15.701 273 H ARG 37 HN ARG 37 4.758 -0.955 -12.400 274 HA ARG 37 HA ARG 37 4.684 0.432 -9.883 275 1HB ARG 37 HB2 ARG 37 2.999 0.356 -12.388 276 2HB ARG 37 HB1 ARG 37 2.571 1.406 -11.037 277 1HG ARG 37 HG2 ARG 37 5.071 2.171 -11.176 278 2HG ARG 37 HG1 ARG 37 5.002 1.500 -12.807 279 1HD ARG 37 HD2 ARG 37 3.932 3.357 -13.533 280 2HD ARG 37 HD1 ARG 37 2.638 3.086 -12.350 281 HE ARG 37 HE ARG 37 5.203 4.435 -11.593 282 1HH1 ARG 37 HH1 ARG 37 2.971 3.624 -9.624 283 2HH1 ARG 37 HH1 ARG 37 2.183 5.149 -9.396 284 1HH2 ARG 37 HH2 ARG 37 3.674 6.634 -12.152 285 2HH2 ARG 37 HH2 ARG 37 2.580 6.852 -10.827 286 H ALA 38 HN ALA 38 3.336 0.123 -8.109 287 HA ALA 38 HA ALA 38 0.876 -1.469 -8.333 288 1HB ALA 38 HB1 ALA 38 2.309 -2.735 -6.255 289 2HB ALA 38 HB2 ALA 38 3.441 -2.594 -7.601 290 3HB ALA 38 HB3 ALA 38 1.900 -3.420 -7.828 291 H VAL 39 HN VAL 39 -0.217 -1.594 -6.132 292 HA VAL 39 HA VAL 39 0.396 0.880 -4.561 293 HB VAL 39 HB VAL 39 -2.093 -0.841 -4.827 294 1HG1 VAL 39 HG1 VAL 39 -3.092 1.317 -3.758 295 2HG1 VAL 39 HG1 VAL 39 -1.440 1.626 -3.227 296 3HG1 VAL 39 HG1 VAL 39 -2.274 0.161 -2.708 297 1HG2 VAL 39 HG2 VAL 39 -1.049 0.907 -6.667 298 2HG2 VAL 39 HG2 VAL 39 -2.093 1.972 -5.725 299 3HG2 VAL 39 HG2 VAL 39 -2.767 0.541 -6.508 300 H ILE 40 HN ILE 40 0.087 0.665 -2.154 301 HA ILE 40 HA ILE 40 0.483 -2.127 -1.166 302 HB ILE 40 HB ILE 40 2.128 0.366 -0.665 303 1HG1 ILE 40 HG1 ILE 40 3.077 -2.378 -1.488 304 2HG1 ILE 40 HG1 ILE 40 2.517 -1.206 -2.681 305 1HG2 ILE 40 HG2 ILE 40 2.391 -2.315 0.714 306 2HG2 ILE 40 HG2 ILE 40 1.679 -0.884 1.458 307 3HG2 ILE 40 HG2 ILE 40 3.379 -0.883 0.993 308 1HD1 ILE 40 HD1 ILE 40 5.093 -1.356 -1.741 309 2HD1 ILE 40 HD1 ILE 40 4.406 -0.098 -0.714 310 3HD1 ILE 40 HD1 ILE 40 4.375 0.081 -2.468 311 H PHE 41 HN PHE 41 -0.048 -2.355 1.127 312 HA PHE 41 HA PHE 41 -1.656 -0.119 2.304 313 1HB PHE 41 HB2 PHE 41 -2.378 -3.061 1.993 314 2HB PHE 41 HB1 PHE 41 -3.293 -1.928 2.986 315 HD1 PHE 41 HD1 PHE 41 -3.339 -3.480 -0.084 316 HD2 PHE 41 HD2 PHE 41 -3.654 0.447 1.615 317 HE1 PHE 41 HE1 PHE 41 -4.586 -2.714 -2.085 318 HE2 PHE 41 HE2 PHE 41 -4.898 1.218 -0.386 319 HZ PHE 41 HZ PHE 41 -5.365 -0.362 -2.237 320 H THR 42 HN THR 42 -0.653 0.295 4.278 321 HA THR 42 HA THR 42 0.965 -1.838 5.528 322 HB THR 42 HB THR 42 0.631 0.891 6.694 323 HG1 THR 42 HG1 THR 42 1.926 0.286 4.249 324 1HG2 THR 42 HG2 THR 42 2.300 -0.204 7.823 325 2HG2 THR 42 HG2 THR 42 3.269 0.440 6.498 326 3HG2 THR 42 HG2 THR 42 2.701 -1.229 6.446 327 H THR 43 HN THR 43 0.618 -2.640 7.605 328 HA THR 43 HA THR 43 -2.165 -2.367 8.623 329 HB THR 43 HB THR 43 -1.491 -4.448 9.865 330 HG1 THR 43 HG1 THR 43 0.793 -3.756 9.792 331 1HG2 THR 43 HG2 THR 43 -2.378 -4.321 7.414 332 2HG2 THR 43 HG2 THR 43 -1.694 -5.841 7.991 333 3HG2 THR 43 HG2 THR 43 -0.731 -4.770 6.973 334 H LYS 44 HN LYS 44 -1.902 -2.989 11.245 335 HA LYS 44 HA LYS 44 -0.795 -0.535 12.401 336 1HB LYS 44 HB2 LYS 44 -2.224 -2.989 13.457 337 2HB LYS 44 HB1 LYS 44 -1.748 -1.640 14.490 338 1HG LYS 44 HG2 LYS 44 -3.109 -0.729 12.079 339 2HG LYS 44 HG1 LYS 44 -4.114 -1.828 13.027 340 1HD LYS 44 HD2 LYS 44 -3.477 -0.436 15.068 341 2HD LYS 44 HD1 LYS 44 -2.816 0.746 13.939 342 1HE LYS 44 HE2 LYS 44 -4.886 1.558 13.518 343 2HE LYS 44 HE1 LYS 44 -5.471 -0.063 13.093 344 1HZ LYS 44 HZ1 LYS 44 -6.656 0.496 15.017 345 2HZ LYS 44 HZ2 LYS 44 -5.297 1.178 15.774 346 3HZ LYS 44 HZ3 LYS 44 -5.408 -0.506 15.578 347 H ARG 45 HN ARG 45 0.449 -3.665 11.753 348 HA ARG 45 HA ARG 45 2.247 -3.791 14.069 349 1HB ARG 45 HB2 ARG 45 1.595 -5.368 11.615 350 2HB ARG 45 HB1 ARG 45 3.167 -5.649 12.368 351 1HG ARG 45 HG2 ARG 45 1.014 -5.504 14.335 352 2HG ARG 45 HG1 ARG 45 0.757 -6.794 13.160 353 1HD ARG 45 HD2 ARG 45 2.312 -8.052 14.217 354 2HD ARG 45 HD1 ARG 45 3.531 -6.797 13.912 355 HE ARG 45 HE ARG 45 2.166 -7.211 16.424 356 1HH1 ARG 45 HH2 ARG 45 4.827 -5.805 15.966 357 2HH1 ARG 45 HH2 ARG 45 4.437 -4.184 16.435 358 1HH2 ARG 45 HH1 ARG 45 1.009 -4.688 16.299 359 2HH2 ARG 45 HH1 ARG 45 2.275 -3.552 16.625 360 H GLY 46 HN GLY 46 2.306 -2.517 10.814 361 1HA GLY 46 HA2 GLY 46 3.987 -0.748 10.360 362 2HA GLY 46 HA1 GLY 46 5.154 -1.722 11.251 363 H LYS 47 HN LYS 47 3.470 -3.979 9.573 364 HA LYS 47 HA LYS 47 5.563 -4.120 7.500 365 1HB LYS 47 HB2 LYS 47 4.644 -6.366 7.165 366 2HB LYS 47 HB1 LYS 47 4.846 -6.068 8.890 367 1HG LYS 47 HG2 LYS 47 2.675 -6.615 9.141 368 2HG LYS 47 HG1 LYS 47 2.280 -5.116 8.303 369 1HD LYS 47 HD2 LYS 47 2.146 -6.204 6.191 370 2HD LYS 47 HD1 LYS 47 2.938 -7.655 6.807 371 1HE LYS 47 HE2 LYS 47 0.899 -7.787 8.444 372 2HE LYS 47 HE1 LYS 47 0.113 -6.715 7.268 373 1HZ LYS 47 HZ1 LYS 47 1.319 -9.379 6.777 374 2HZ LYS 47 HZ2 LYS 47 0.958 -8.295 5.520 375 3HZ LYS 47 HZ3 LYS 47 -0.286 -8.899 6.508 376 H LYS 48 HN LYS 48 5.201 -3.633 5.346 377 HA LYS 48 HA LYS 48 2.528 -2.540 4.643 378 1HB LYS 48 HB2 LYS 48 5.097 -2.518 3.037 379 2HB LYS 48 HB1 LYS 48 3.718 -1.435 2.870 380 1HG LYS 48 HG2 LYS 48 4.490 -1.189 5.555 381 2HG LYS 48 HG1 LYS 48 6.005 -1.227 4.651 382 1HD LYS 48 HD2 LYS 48 4.612 0.419 3.055 383 2HD LYS 48 HD1 LYS 48 3.809 0.780 4.583 384 1HE LYS 48 HE2 LYS 48 6.829 0.767 4.340 385 2HE LYS 48 HE1 LYS 48 5.861 2.224 4.036 386 1HZ LYS 48 HZ1 LYS 48 6.633 1.776 6.428 387 2HZ LYS 48 HZ2 LYS 48 5.422 0.585 6.453 388 3HZ LYS 48 HZ3 LYS 48 5.013 2.212 6.181 389 H VAL 49 HN VAL 49 1.184 -3.540 3.184 390 HA VAL 49 HA VAL 49 2.123 -6.104 1.956 391 HB VAL 49 HB VAL 49 -0.656 -4.976 2.442 392 1HG1 VAL 49 HG1 VAL 49 -0.947 -6.562 0.759 393 2HG1 VAL 49 HG1 VAL 49 -1.111 -7.560 2.203 394 3HG1 VAL 49 HG1 VAL 49 0.409 -7.545 1.311 395 1HG2 VAL 49 HG2 VAL 49 1.150 -6.789 4.040 396 2HG2 VAL 49 HG2 VAL 49 -0.602 -6.901 4.195 397 3HG2 VAL 49 HG2 VAL 49 0.222 -5.393 4.591 398 H CYS 50 HN CYS 50 2.180 -6.255 -0.293 399 HA CYS 50 HA CYS 50 1.729 -3.793 -1.842 400 1HB CYS 50 HB2 CYS 50 2.927 -6.510 -2.231 401 2HB CYS 50 HB1 CYS 50 2.484 -5.580 -3.662 402 H THR 51 HN THR 51 0.391 -3.793 -3.795 403 HA THR 51 HA THR 51 -1.653 -5.897 -4.124 404 HB THR 51 HB THR 51 -3.436 -4.042 -3.836 405 HG1 THR 51 HG1 THR 51 -1.335 -2.883 -2.336 406 1HG2 THR 51 HG2 THR 51 -2.624 -5.940 -2.169 407 2HG2 THR 51 HG2 THR 51 -3.759 -4.698 -1.639 408 3HG2 THR 51 HG2 THR 51 -2.048 -4.558 -1.236 409 H HIS 52 HN HIS 52 -3.406 -4.573 -5.776 410 HA HIS 52 HA HIS 52 -1.660 -3.374 -7.883 411 1HB HIS 52 HB2 HIS 52 -3.012 -5.831 -7.856 412 2HB HIS 52 HB1 HIS 52 -4.008 -4.783 -8.865 413 HD1 HIS 52 HD1 HIS 52 -3.139 -6.350 -10.887 414 HD2 HIS 52 HD2 HIS 52 -0.247 -3.942 -9.092 415 HE1 HIS 52 HE1 HIS 52 -1.175 -6.278 -12.483 416 HA PRO 53 HA PRO 53 -4.635 -0.094 -7.675 417 1HB PRO 53 HB2 PRO 53 -4.020 1.159 -10.037 418 2HB PRO 53 HB1 PRO 53 -3.010 1.290 -8.583 419 1HG PRO 53 HG2 PRO 53 -2.653 -0.439 -10.985 420 2HG PRO 53 HG1 PRO 53 -1.445 0.460 -10.054 421 1HD PRO 53 HD2 PRO 53 -1.824 -2.211 -9.779 422 2HD PRO 53 HD1 PRO 53 -1.276 -1.170 -8.445 423 H ARG 54 HN ARG 54 -4.330 -2.194 -10.497 424 HA ARG 54 HA ARG 54 -6.728 -1.436 -11.869 425 1HB ARG 54 HB2 ARG 54 -4.838 -2.824 -12.742 426 2HB ARG 54 HB1 ARG 54 -5.345 -4.133 -11.674 427 1HG ARG 54 HG2 ARG 54 -6.384 -4.679 -13.714 428 2HG ARG 54 HG1 ARG 54 -7.667 -3.865 -12.820 429 1HD ARG 54 HD2 ARG 54 -7.678 -2.872 -15.007 430 2HD ARG 54 HD1 ARG 54 -6.851 -1.696 -13.969 431 HE ARG 54 HE ARG 54 -4.886 -2.136 -15.194 432 1HH1 ARG 54 HH1 ARG 54 -7.299 -4.302 -16.188 433 2HH1 ARG 54 HH1 ARG 54 -6.205 -5.459 -16.865 434 1HH2 ARG 54 HH2 ARG 54 -3.359 -3.855 -15.715 435 2HH2 ARG 54 HH2 ARG 54 -3.982 -5.205 -16.601 436 H LYS 55 HN LYS 55 -6.094 -3.835 -9.307 437 HA LYS 55 HA LYS 55 -8.659 -5.053 -9.208 438 1HB LYS 55 HB2 LYS 55 -6.251 -4.747 -7.551 439 2HB LYS 55 HB1 LYS 55 -7.719 -4.968 -6.597 440 1HG LYS 55 HG2 LYS 55 -7.014 -7.177 -7.011 441 2HG LYS 55 HG1 LYS 55 -8.239 -6.906 -8.251 442 1HD LYS 55 HD2 LYS 55 -6.608 -7.647 -9.664 443 2HD LYS 55 HD1 LYS 55 -6.025 -5.987 -9.537 444 1HE LYS 55 HE2 LYS 55 -4.118 -7.360 -9.066 445 2HE LYS 55 HE1 LYS 55 -4.685 -6.809 -7.476 446 1HZ LYS 55 HZ1 LYS 55 -4.333 -9.260 -7.635 447 2HZ LYS 55 HZ2 LYS 55 -5.597 -9.322 -8.769 448 3HZ LYS 55 HZ3 LYS 55 -5.903 -8.814 -7.178 449 H LYS 56 HN LYS 56 -10.552 -3.909 -9.008 450 HA LYS 56 HA LYS 56 -10.902 -1.269 -8.156 451 1HB LYS 56 HB2 LYS 56 -12.461 -3.501 -8.907 452 2HB LYS 56 HB1 LYS 56 -13.140 -2.925 -7.384 453 1HG LYS 56 HG2 LYS 56 -13.698 -0.851 -8.253 454 2HG LYS 56 HG1 LYS 56 -12.431 -0.907 -9.478 455 1HD LYS 56 HD2 LYS 56 -14.101 -1.451 -10.911 456 2HD LYS 56 HD1 LYS 56 -14.006 -3.054 -10.180 457 1HE LYS 56 HE2 LYS 56 -15.827 -2.619 -8.715 458 2HE LYS 56 HE1 LYS 56 -15.736 -0.869 -8.994 459 1HZ LYS 56 HZ1 LYS 56 -17.487 -2.119 -10.306 460 2HZ LYS 56 HZ2 LYS 56 -16.206 -2.796 -11.193 461 3HZ LYS 56 HZ3 LYS 56 -16.451 -1.115 -11.200 462 H TRP 57 HN TRP 57 -11.132 -4.226 -6.137 463 HA TRP 57 HA TRP 57 -11.938 -3.014 -3.729 464 1HB TRP 57 HB2 TRP 57 -11.436 -5.097 -2.832 465 2HB TRP 57 HB1 TRP 57 -11.443 -5.505 -4.541 466 HD1 TRP 57 HD1 TRP 57 -9.306 -6.570 -5.473 467 HE1 TRP 57 HE1 TRP 57 -6.904 -6.914 -4.595 468 HE3 TRP 57 HE3 TRP 57 -9.549 -3.850 -1.162 469 HZ2 TRP 57 HZ2 TRP 57 -5.300 -6.127 -2.356 470 HZ3 TRP 57 HZ3 TRP 57 -7.574 -3.668 0.323 471 HH2 TRP 57 HH2 TRP 57 -5.453 -4.800 -0.267 472 H VAL 58 HN VAL 58 -8.697 -3.187 -5.169 473 HA VAL 58 HA VAL 58 -7.220 -2.182 -2.918 474 HB VAL 58 HB VAL 58 -6.765 -1.995 -5.913 475 1HG1 VAL 58 HG1 VAL 58 -4.587 -1.332 -5.508 476 2HG1 VAL 58 HG1 VAL 58 -4.551 -2.066 -3.906 477 3HG1 VAL 58 HG1 VAL 58 -5.395 -0.540 -4.159 478 1HG2 VAL 58 HG2 VAL 58 -7.108 -4.290 -4.879 479 2HG2 VAL 58 HG2 VAL 58 -5.662 -3.990 -3.917 480 3HG2 VAL 58 HG2 VAL 58 -5.553 -4.066 -5.675 481 H GLN 59 HN GLN 59 -8.557 -0.524 -5.801 482 HA GLN 59 HA GLN 59 -7.795 2.125 -5.130 483 1HB GLN 59 HB2 GLN 59 -10.184 0.944 -6.585 484 2HB GLN 59 HB1 GLN 59 -9.813 2.669 -6.583 485 1HG GLN 59 HG2 GLN 59 -7.385 1.434 -7.227 486 2HG GLN 59 HG1 GLN 59 -8.596 0.530 -8.137 487 1HE2 GLN 59 HE2 GLN 59 -8.218 1.446 -10.222 488 2HE2 GLN 59 HE2 GLN 59 -8.442 3.094 -10.565 489 H LYS 60 HN LYS 60 -10.260 0.014 -3.854 490 HA LYS 60 HA LYS 60 -11.845 2.084 -2.581 491 1HB LYS 60 HB2 LYS 60 -12.164 -0.545 -3.244 492 2HB LYS 60 HB1 LYS 60 -11.828 -0.684 -1.518 493 1HG LYS 60 HG2 LYS 60 -13.639 1.501 -1.918 494 2HG LYS 60 HG1 LYS 60 -14.270 0.087 -2.762 495 1HD LYS 60 HD2 LYS 60 -13.921 -1.254 -0.677 496 2HD LYS 60 HD1 LYS 60 -13.444 0.229 0.151 497 1HE LYS 60 HE2 LYS 60 -15.615 1.171 -0.037 498 2HE LYS 60 HE1 LYS 60 -16.095 0.015 -1.295 499 1HZ LYS 60 HZ1 LYS 60 -15.605 -0.504 1.578 500 2HZ LYS 60 HZ2 LYS 60 -15.584 -1.755 0.430 501 3HZ LYS 60 HZ3 LYS 60 -16.998 -0.846 0.673 502 H TYR 61 HN TYR 61 -9.147 -0.032 -1.635 503 HA TYR 61 HA TYR 61 -9.209 0.760 1.170 504 1HB TYR 61 HB2 TYR 61 -7.574 -0.881 -0.682 505 2HB TYR 61 HB1 TYR 61 -6.711 -0.225 0.709 506 HD1 TYR 61 HD1 TYR 61 -6.563 -1.734 2.469 507 HD2 TYR 61 HD2 TYR 61 -10.166 -1.590 0.133 508 HE1 TYR 61 HE1 TYR 61 -7.573 -3.475 3.917 509 HE2 TYR 61 HE2 TYR 61 -11.175 -3.330 1.584 510 HH TYR 61 HH TYR 61 -9.563 -4.449 4.504 511 H ILE 62 HN ILE 62 -7.565 1.873 -1.753 512 HA ILE 62 HA ILE 62 -5.655 3.607 -0.466 513 HB ILE 62 HB ILE 62 -6.985 3.767 -3.195 514 1HG1 ILE 62 HG1 ILE 62 -4.327 2.503 -2.487 515 2HG1 ILE 62 HG1 ILE 62 -5.825 1.574 -2.550 516 1HG2 ILE 62 HG2 ILE 62 -5.824 5.736 -3.202 517 2HG2 ILE 62 HG2 ILE 62 -4.436 4.688 -3.493 518 3HG2 ILE 62 HG2 ILE 62 -4.793 5.245 -1.858 519 1HD1 ILE 62 HD1 ILE 62 -5.992 2.890 -4.915 520 2HD1 ILE 62 HD1 ILE 62 -5.242 1.303 -4.744 521 3HD1 ILE 62 HD1 ILE 62 -4.240 2.754 -4.761 522 H SER 63 HN SER 63 -8.815 4.302 -2.023 523 HA SER 63 HA SER 63 -8.985 7.048 -1.329 524 1HB SER 63 HB2 SER 63 -10.707 4.863 -2.233 525 2HB SER 63 HB1 SER 63 -11.574 5.999 -1.203 526 HG SER 63 HG SER 63 -10.857 6.286 -3.739 527 H LEU 64 HN LEU 64 -9.748 4.117 0.511 528 HA LEU 64 HA LEU 64 -10.951 5.491 2.769 529 1HB LEU 64 HB2 LEU 64 -10.089 2.775 1.957 530 2HB LEU 64 HB1 LEU 64 -10.064 3.071 3.697 531 HG LEU 64 HG LEU 64 -12.455 3.883 2.060 532 1HD1 LEU 64 HD1 LEU 64 -13.381 1.756 2.086 533 2HD1 LEU 64 HD1 LEU 64 -12.384 1.225 3.439 534 3HD1 LEU 64 HD1 LEU 64 -11.683 1.357 1.825 535 1HD2 LEU 64 HD2 LEU 64 -12.286 4.675 4.376 536 2HD2 LEU 64 HD2 LEU 64 -12.025 3.025 4.940 537 3HD2 LEU 64 HD2 LEU 64 -13.579 3.484 4.246 538 H LEU 65 HN LEU 65 -7.861 3.659 2.616 539 HA LEU 65 HA LEU 65 -6.727 4.757 4.968 540 1HB LEU 65 HB2 LEU 65 -5.523 3.690 2.393 541 2HB LEU 65 HB1 LEU 65 -4.567 4.023 3.837 542 HG LEU 65 HG LEU 65 -6.865 2.053 3.604 543 1HD1 LEU 65 HD1 LEU 65 -5.293 0.414 3.466 544 2HD1 LEU 65 HD1 LEU 65 -4.233 1.207 4.630 545 3HD1 LEU 65 HD1 LEU 65 -4.224 1.713 2.943 546 1HD2 LEU 65 HD2 LEU 65 -7.066 2.933 5.789 547 2HD2 LEU 65 HD2 LEU 65 -5.320 3.100 5.975 548 3HD2 LEU 65 HD2 LEU 65 -6.061 1.500 6.004 549 H LYS 66 HN LYS 66 -5.452 5.584 1.749 550 HA LYS 66 HA LYS 66 -4.522 7.624 0.973 551 1HB LYS 66 HB2 LYS 66 -7.256 7.803 1.689 552 2HB LYS 66 HB1 LYS 66 -6.511 9.312 2.215 553 1HG LYS 66 HG2 LYS 66 -5.396 9.334 -0.129 554 2HG LYS 66 HG1 LYS 66 -6.625 8.144 -0.561 555 1HD LYS 66 HD2 LYS 66 -7.920 9.953 -1.024 556 2HD LYS 66 HD1 LYS 66 -8.130 10.044 0.725 557 1HE LYS 66 HE2 LYS 66 -7.218 12.123 0.598 558 2HE LYS 66 HE1 LYS 66 -5.673 11.322 0.249 559 1HZ LYS 66 HZ1 LYS 66 -6.211 11.285 -2.077 560 2HZ LYS 66 HZ2 LYS 66 -6.359 12.883 -1.520 561 3HZ LYS 66 HZ3 LYS 66 -7.748 11.942 -1.788 562 H THR 67 HN THR 67 -2.829 7.144 2.873 563 HA THR 67 HA THR 67 -2.801 9.571 4.615 564 HB THR 67 HB THR 67 -1.557 7.005 5.503 565 HG1 THR 67 HG1 THR 67 -3.422 6.066 5.246 566 1HG2 THR 67 HG2 THR 67 -1.317 8.328 7.307 567 2HG2 THR 67 HG2 THR 67 -3.062 8.205 7.533 568 3HG2 THR 67 HG2 THR 67 -2.384 9.553 6.620 569 HA PRO 68 HA PRO 68 1.054 9.482 2.159 570 1HB PRO 68 HB2 PRO 68 1.337 12.200 2.040 571 2HB PRO 68 HB1 PRO 68 0.307 11.289 0.917 572 1HG PRO 68 HG2 PRO 68 -0.450 12.881 3.311 573 2HG PRO 68 HG1 PRO 68 -1.281 12.712 1.757 574 1HD PRO 68 HD2 PRO 68 -2.029 11.406 4.040 575 2HD PRO 68 HD1 PRO 68 -2.367 10.813 2.399 576 H LYS 69 HN LYS 69 1.830 8.618 4.349 577 HA LYS 69 HA LYS 69 3.215 10.761 5.908 578 1HB LYS 69 HB2 LYS 69 1.795 8.213 6.628 579 2HB LYS 69 HB1 LYS 69 3.060 8.825 7.694 580 1HG LYS 69 HG2 LYS 69 1.256 10.952 6.857 581 2HG LYS 69 HG1 LYS 69 0.384 9.644 7.658 582 1HD LYS 69 HD2 LYS 69 1.050 10.594 9.600 583 2HD LYS 69 HD1 LYS 69 2.647 9.940 9.232 584 1HE LYS 69 HE2 LYS 69 3.429 12.063 9.120 585 2HE LYS 69 HE1 LYS 69 2.375 12.336 7.717 586 1HZ LYS 69 HZ1 LYS 69 1.293 12.367 10.464 587 2HZ LYS 69 HZ2 LYS 69 0.634 13.048 9.054 588 3HZ LYS 69 HZ3 LYS 69 1.985 13.763 9.795 589 H GLN 70 HN GLN 70 5.341 10.704 5.190 590 HA GLN 70 HA GLN 70 6.706 8.035 5.194 591 1HB GLN 70 HB2 GLN 70 6.216 9.923 3.031 592 2HB GLN 70 HB1 GLN 70 7.943 9.634 3.245 593 1HG GLN 70 HG2 GLN 70 7.788 7.421 2.654 594 2HG GLN 70 HG1 GLN 70 6.172 7.244 3.339 595 1HE2 GLN 70 HE2 GLN 70 4.648 9.106 2.018 596 2HE2 GLN 70 HE2 GLN 70 4.688 8.848 0.341 597 H LEU 71 HN LEU 71 9.240 8.536 5.043 598 HA LEU 71 HA LEU 71 9.836 10.408 7.265 599 1HB LEU 71 HB2 LEU 71 10.712 7.883 6.427 600 2HB LEU 71 HB1 LEU 71 12.066 8.956 6.068 601 HG LEU 71 HG LEU 71 10.648 9.014 8.736 602 1HD1 LEU 71 HD1 LEU 71 12.261 6.900 7.678 603 2HD1 LEU 71 HD1 LEU 71 11.619 7.068 9.313 604 3HD1 LEU 71 HD1 LEU 71 13.200 7.739 8.913 605 1HD2 LEU 71 HD2 LEU 71 13.227 9.728 9.164 606 2HD2 LEU 71 HD2 LEU 71 11.969 10.889 8.736 607 3HD2 LEU 71 HD2 LEU 71 13.046 10.255 7.490 Start of MODEL 20 1 1H THR 1 HT1 THR 1 21.692 2.358 11.992 2 2H THR 1 HT2 THR 1 22.559 3.733 11.497 3 3H THR 1 HT3 THR 1 23.333 2.223 11.582 4 HA THR 1 HA THR 1 22.753 2.920 9.270 5 HB THR 1 HB THR 1 21.299 0.454 10.241 6 HG1 THR 1 HG1 THR 1 23.157 -0.413 10.804 7 1HG2 THR 1 HG2 THR 1 21.730 1.325 7.729 8 2HG2 THR 1 HG2 THR 1 21.713 -0.387 8.150 9 3HG2 THR 1 HG2 THR 1 23.248 0.466 7.996 10 H ARG 2 HN ARG 2 21.032 4.737 10.346 11 HA ARG 2 HA ARG 2 18.459 4.068 8.998 12 1HB ARG 2 HB2 ARG 2 18.937 4.115 11.809 13 2HB ARG 2 HB1 ARG 2 17.951 5.526 11.421 14 1HG ARG 2 HG2 ARG 2 16.134 4.240 11.091 15 2HG ARG 2 HG1 ARG 2 17.009 3.214 9.955 16 1HD ARG 2 HD2 ARG 2 16.493 1.686 11.659 17 2HD ARG 2 HD1 ARG 2 18.100 2.238 12.173 18 HE ARG 2 HE ARG 2 15.692 3.698 13.152 19 1HH1 ARG 2 HH2 ARG 2 18.857 3.507 13.815 20 2HH1 ARG 2 HH2 ARG 2 18.721 2.969 15.456 21 1HH2 ARG 2 HH1 ARG 2 15.338 2.244 15.215 22 2HH2 ARG 2 HH1 ARG 2 16.728 2.255 16.249 23 H GLY 3 HN GLY 3 20.421 5.745 7.930 24 1HA GLY 3 HA2 GLY 3 20.196 8.495 8.683 25 2HA GLY 3 HA1 GLY 3 20.721 7.921 7.099 26 H SER 4 HN SER 4 18.564 6.675 6.063 27 HA SER 4 HA SER 4 16.309 8.638 6.264 28 1HB SER 4 HB2 SER 4 16.226 8.490 3.748 29 2HB SER 4 HB1 SER 4 17.703 9.230 4.361 30 HG SER 4 HG SER 4 17.368 6.963 2.922 31 H ASP 5 HN ASP 5 14.297 7.693 5.156 32 HA ASP 5 HA ASP 5 13.763 5.042 6.187 33 1HB ASP 5 HB2 ASP 5 11.564 5.449 5.146 34 2HB ASP 5 HB1 ASP 5 12.118 6.893 5.994 35 H ILE 6 HN ILE 6 13.414 3.108 4.977 36 HA ILE 6 HA ILE 6 14.454 3.155 2.160 37 HB ILE 6 HB ILE 6 14.733 1.005 4.286 38 1HG1 ILE 6 HG1 ILE 6 16.003 3.069 4.837 39 2HG1 ILE 6 HG1 ILE 6 17.076 1.729 4.440 40 1HG2 ILE 6 HG2 ILE 6 15.337 1.173 1.409 41 2HG2 ILE 6 HG2 ILE 6 15.157 -0.247 2.441 42 3HG2 ILE 6 HG2 ILE 6 16.692 0.621 2.394 43 1HD1 ILE 6 HD1 ILE 6 17.978 2.910 2.753 44 2HD1 ILE 6 HD1 ILE 6 16.974 4.286 3.210 45 3HD1 ILE 6 HD1 ILE 6 16.387 3.122 2.021 46 H SER 7 HN SER 7 11.727 3.473 2.515 47 HA SER 7 HA SER 7 10.516 0.766 2.258 48 1HB SER 7 HB2 SER 7 8.441 1.954 2.712 49 2HB SER 7 HB1 SER 7 9.653 2.486 3.874 50 HG SER 7 HG SER 7 8.748 4.318 3.064 51 H LYS 8 HN LYS 8 12.102 2.405 0.139 52 HA LYS 8 HA LYS 8 9.990 2.720 -1.924 53 1HB LYS 8 HB2 LYS 8 12.776 3.683 -1.440 54 2HB LYS 8 HB1 LYS 8 12.236 3.559 -3.116 55 1HG LYS 8 HG2 LYS 8 10.225 4.911 -2.535 56 2HG LYS 8 HG1 LYS 8 10.858 5.102 -0.901 57 1HD LYS 8 HD2 LYS 8 12.402 6.642 -1.543 58 2HD LYS 8 HD1 LYS 8 12.771 5.785 -3.042 59 1HE LYS 8 HE2 LYS 8 10.394 6.588 -3.799 60 2HE LYS 8 HE1 LYS 8 10.588 7.792 -2.509 61 1HZ LYS 8 HZ1 LYS 8 12.428 7.276 -4.781 62 2HZ LYS 8 HZ2 LYS 8 12.837 8.244 -3.445 63 3HZ LYS 8 HZ3 LYS 8 11.559 8.698 -4.468 64 H THR 9 HN THR 9 9.904 0.191 -1.745 65 HA THR 9 HA THR 9 11.916 -0.958 -3.648 66 HB THR 9 HB THR 9 12.109 -1.666 -1.246 67 HG1 THR 9 HG1 THR 9 12.253 -3.831 -1.762 68 1HG2 THR 9 HG2 THR 9 9.451 -1.576 -1.106 69 2HG2 THR 9 HG2 THR 9 10.384 -2.674 -0.089 70 3HG2 THR 9 HG2 THR 9 9.610 -3.274 -1.557 71 H CYS 10 HN CYS 10 10.948 -3.047 -4.687 72 HA CYS 10 HA CYS 10 8.342 -2.340 -5.859 73 1HB CYS 10 HB2 CYS 10 10.221 -4.686 -6.297 74 2HB CYS 10 HB1 CYS 10 8.905 -4.202 -7.361 75 H CYS 11 HN CYS 11 6.810 -4.347 -6.183 76 HA CYS 11 HA CYS 11 6.621 -5.857 -3.594 77 1HB CYS 11 HB2 CYS 11 4.717 -4.145 -5.117 78 2HB CYS 11 HB1 CYS 11 4.047 -5.589 -4.360 79 H PHE 12 HN PHE 12 6.300 -8.047 -3.841 80 HA PHE 12 HA PHE 12 5.466 -9.060 -6.521 81 1HB PHE 12 HB2 PHE 12 7.180 -10.894 -6.116 82 2HB PHE 12 HB1 PHE 12 7.863 -9.292 -6.384 83 HD1 PHE 12 HD1 PHE 12 8.600 -7.909 -4.412 84 HD2 PHE 12 HD2 PHE 12 7.484 -12.040 -4.039 85 HE1 PHE 12 HE1 PHE 12 9.743 -8.018 -2.215 86 HE2 PHE 12 HE2 PHE 12 8.628 -12.150 -1.841 87 HZ PHE 12 HZ PHE 12 9.757 -10.138 -0.929 88 H GLN 13 HN GLN 13 3.734 -8.709 -4.322 89 HA GLN 13 HA GLN 13 2.828 -11.472 -3.904 90 1HB GLN 13 HB2 GLN 13 4.490 -11.216 -2.140 91 2HB GLN 13 HB1 GLN 13 3.793 -9.669 -1.660 92 1HG GLN 13 HG2 GLN 13 1.666 -10.840 -1.094 93 2HG GLN 13 HG1 GLN 13 2.441 -12.377 -1.481 94 1HE2 GLN 13 HE2 GLN 13 1.814 -10.251 1.077 95 2HE2 GLN 13 HE2 GLN 13 3.001 -10.804 2.159 96 H TYR 14 HN TYR 14 0.876 -10.771 -4.921 97 HA TYR 14 HA TYR 14 -0.569 -8.476 -3.718 98 1HB TYR 14 HB2 TYR 14 -1.160 -10.199 -6.144 99 2HB TYR 14 HB1 TYR 14 -1.944 -8.672 -5.739 100 HD1 TYR 14 HD1 TYR 14 0.191 -6.925 -4.899 101 HD2 TYR 14 HD2 TYR 14 0.192 -9.876 -8.022 102 HE1 TYR 14 HE1 TYR 14 2.000 -5.693 -6.065 103 HE2 TYR 14 HE2 TYR 14 2.001 -8.643 -9.186 104 HH TYR 14 HH TYR 14 3.931 -6.507 -7.837 105 H SER 15 HN SER 15 -2.179 -8.849 -2.254 106 HA SER 15 HA SER 15 -3.147 -11.620 -1.843 107 1HB SER 15 HB2 SER 15 -3.653 -9.072 -0.277 108 2HB SER 15 HB1 SER 15 -3.932 -10.721 0.278 109 HG SER 15 HG SER 15 -1.793 -9.384 0.660 110 H HIS 16 HN HIS 16 -5.369 -12.155 -2.058 111 HA HIS 16 HA HIS 16 -7.059 -10.065 -3.392 112 1HB HIS 16 HB2 HIS 16 -8.150 -12.115 -4.445 113 2HB HIS 16 HB1 HIS 16 -6.483 -11.814 -4.930 114 HD1 HIS 16 HD1 HIS 16 -5.574 -14.131 -5.254 115 HD2 HIS 16 HD2 HIS 16 -7.613 -13.759 -1.636 116 HE1 HIS 16 HE1 HIS 16 -5.202 -16.296 -3.996 117 H LYS 17 HN LYS 17 -7.283 -9.873 -0.740 118 HA LYS 17 HA LYS 17 -9.950 -11.031 -0.184 119 1HB LYS 17 HB2 LYS 17 -7.434 -11.983 0.880 120 2HB LYS 17 HB1 LYS 17 -8.449 -11.373 2.186 121 1HG LYS 17 HG2 LYS 17 -10.343 -12.753 1.246 122 2HG LYS 17 HG1 LYS 17 -9.179 -13.479 0.136 123 1HD LYS 17 HD2 LYS 17 -8.087 -13.536 2.792 124 2HD LYS 17 HD1 LYS 17 -9.708 -14.229 2.825 125 1HE LYS 17 HE2 LYS 17 -9.152 -15.881 1.197 126 2HE LYS 17 HE1 LYS 17 -7.660 -15.035 0.743 127 1HZ LYS 17 HZ1 LYS 17 -7.430 -16.961 2.367 128 2HZ LYS 17 HZ2 LYS 17 -8.160 -15.943 3.515 129 3HZ LYS 17 HZ3 LYS 17 -6.683 -15.502 2.801 130 HA PRO 18 HA PRO 18 -10.423 -7.054 1.662 131 1HB PRO 18 HB2 PRO 18 -12.512 -7.543 3.357 132 2HB PRO 18 HB1 PRO 18 -12.704 -7.415 1.597 133 1HG PRO 18 HG2 PRO 18 -12.580 -9.835 3.317 134 2HG PRO 18 HG1 PRO 18 -13.566 -9.517 1.882 135 1HD PRO 18 HD2 PRO 18 -11.295 -11.046 1.864 136 2HD PRO 18 HD1 PRO 18 -11.917 -10.175 0.445 137 H LEU 19 HN LEU 19 -8.716 -6.538 3.017 138 HA LEU 19 HA LEU 19 -7.979 -8.051 5.365 139 1HB LEU 19 HB2 LEU 19 -6.885 -6.125 3.728 140 2HB LEU 19 HB1 LEU 19 -7.216 -5.205 5.195 141 HG LEU 19 HG LEU 19 -6.041 -7.845 5.718 142 1HD1 LEU 19 HD1 LEU 19 -4.054 -7.669 4.606 143 2HD1 LEU 19 HD1 LEU 19 -4.022 -5.911 4.737 144 3HD1 LEU 19 HD1 LEU 19 -4.997 -6.685 3.488 145 1HD2 LEU 19 HD2 LEU 19 -4.633 -5.399 6.545 146 2HD2 LEU 19 HD2 LEU 19 -5.255 -6.723 7.530 147 3HD2 LEU 19 HD2 LEU 19 -6.332 -5.424 7.016 148 HA PRO 20 HA PRO 20 -10.886 -6.342 8.218 149 1HB PRO 20 HB2 PRO 20 -9.494 -6.683 10.554 150 2HB PRO 20 HB1 PRO 20 -10.278 -8.021 9.691 151 1HG PRO 20 HG2 PRO 20 -7.414 -7.202 9.710 152 2HG PRO 20 HG1 PRO 20 -8.123 -8.824 9.733 153 1HD PRO 20 HD2 PRO 20 -7.088 -7.697 7.491 154 2HD PRO 20 HD1 PRO 20 -8.420 -8.874 7.458 155 H TRP 21 HN TRP 21 -11.054 -4.124 7.980 156 HA TRP 21 HA TRP 21 -9.096 -2.154 7.975 157 1HB TRP 21 HB2 TRP 21 -11.926 -2.141 9.060 158 2HB TRP 21 HB1 TRP 21 -10.994 -0.676 8.737 159 HD1 TRP 21 HD1 TRP 21 -12.996 -3.363 7.045 160 HE1 TRP 21 HE1 TRP 21 -13.053 -2.935 4.505 161 HE3 TRP 21 HE3 TRP 21 -9.510 0.351 6.701 162 HZ2 TRP 21 HZ2 TRP 21 -11.782 -1.246 2.585 163 HZ3 TRP 21 HZ3 TRP 21 -8.953 1.351 4.503 164 HH2 TRP 21 HH2 TRP 21 -10.087 0.559 2.445 165 H THR 22 HN THR 22 -10.365 -3.870 10.761 166 HA THR 22 HA THR 22 -9.570 -2.091 12.840 167 HB THR 22 HB THR 22 -9.448 -4.305 14.118 168 HG1 THR 22 HG1 THR 22 -9.472 -6.079 13.007 169 1HG2 THR 22 HG2 THR 22 -11.677 -3.011 12.809 170 2HG2 THR 22 HG2 THR 22 -11.616 -3.770 14.400 171 3HG2 THR 22 HG2 THR 22 -11.985 -4.740 12.973 172 H TRP 23 HN TRP 23 -7.775 -4.500 10.964 173 HA TRP 23 HA TRP 23 -5.296 -3.925 12.494 174 1HB TRP 23 HB2 TRP 23 -5.886 -5.912 10.280 175 2HB TRP 23 HB1 TRP 23 -4.461 -5.900 11.314 176 HD1 TRP 23 HD1 TRP 23 -6.742 -5.070 13.808 177 HE1 TRP 23 HE1 TRP 23 -7.809 -7.114 14.965 178 HE3 TRP 23 HE3 TRP 23 -5.688 -8.678 10.358 179 HZ2 TRP 23 HZ2 TRP 23 -8.167 -9.914 14.487 180 HZ3 TRP 23 HZ3 TRP 23 -6.401 -11.025 10.731 181 HH2 TRP 23 HH2 TRP 23 -7.638 -11.647 12.789 182 H VAL 24 HN VAL 24 -6.843 -2.548 9.886 183 HA VAL 24 HA VAL 24 -4.446 -2.285 8.180 184 HB VAL 24 HB VAL 24 -7.210 -1.038 7.972 185 1HG1 VAL 24 HG1 VAL 24 -5.487 -1.586 5.611 186 2HG1 VAL 24 HG1 VAL 24 -4.971 -0.266 6.660 187 3HG1 VAL 24 HG1 VAL 24 -6.572 -0.231 5.921 188 1HG2 VAL 24 HG2 VAL 24 -6.935 -3.638 7.980 189 2HG2 VAL 24 HG2 VAL 24 -6.196 -3.400 6.397 190 3HG2 VAL 24 HG2 VAL 24 -7.861 -2.894 6.678 191 H ARG 25 HN ARG 25 -3.354 -0.240 7.858 192 HA ARG 25 HA ARG 25 -4.076 1.892 9.838 193 1HB ARG 25 HB2 ARG 25 -2.243 0.335 10.579 194 2HB ARG 25 HB1 ARG 25 -1.294 0.880 9.194 195 1HG ARG 25 HG2 ARG 25 -1.918 3.280 10.185 196 2HG ARG 25 HG1 ARG 25 -2.037 2.355 11.682 197 1HD ARG 25 HD2 ARG 25 0.232 1.749 11.644 198 2HD ARG 25 HD1 ARG 25 0.372 2.024 9.896 199 HE ARG 25 HE ARG 25 0.181 4.460 10.355 200 1HH1 ARG 25 HH1 ARG 25 -0.339 2.869 13.263 201 2HH1 ARG 25 HH1 ARG 25 0.745 3.846 14.196 202 1HH2 ARG 25 HH2 ARG 25 2.045 5.504 11.443 203 2HH2 ARG 25 HH2 ARG 25 2.094 5.338 13.167 204 H SER 26 HN SER 26 -1.833 1.261 7.081 205 HA SER 26 HA SER 26 -2.739 3.821 5.855 206 1HB SER 26 HB2 SER 26 -0.432 4.642 5.775 207 2HB SER 26 HB1 SER 26 -0.898 4.314 7.440 208 HG SER 26 HG SER 26 0.415 2.624 7.487 209 H TYR 27 HN TYR 27 -0.733 4.026 3.939 210 HA TYR 27 HA TYR 27 -0.355 1.449 2.586 211 1HB TYR 27 HB2 TYR 27 -1.945 1.778 0.871 212 2HB TYR 27 HB1 TYR 27 -2.794 2.362 2.297 213 HD1 TYR 27 HD1 TYR 27 -3.096 4.787 2.681 214 HD2 TYR 27 HD2 TYR 27 -1.193 3.286 -0.864 215 HE1 TYR 27 HE1 TYR 27 -3.357 7.003 1.600 216 HE2 TYR 27 HE2 TYR 27 -1.453 5.499 -1.946 217 HH TYR 27 HH TYR 27 -1.719 7.880 -1.214 218 H GLU 28 HN GLU 28 0.458 2.092 0.169 219 HA GLU 28 HA GLU 28 1.719 4.646 -0.211 220 1HB GLU 28 HB2 GLU 28 4.070 3.863 0.252 221 2HB GLU 28 HB1 GLU 28 3.064 3.946 1.697 222 1HG GLU 28 HG2 GLU 28 2.623 1.533 1.552 223 2HG GLU 28 HG1 GLU 28 3.592 1.436 0.081 224 H PHE 29 HN PHE 29 2.495 4.771 -2.324 225 HA PHE 29 HA PHE 29 2.043 2.430 -4.049 226 1HB PHE 29 HB2 PHE 29 2.220 5.333 -4.223 227 2HB PHE 29 HB1 PHE 29 3.137 4.559 -5.515 228 HD1 PHE 29 HD1 PHE 29 2.045 3.155 -7.180 229 HD2 PHE 29 HD2 PHE 29 -0.204 5.004 -4.022 230 HE1 PHE 29 HE1 PHE 29 -0.063 2.636 -8.379 231 HE2 PHE 29 HE2 PHE 29 -2.314 4.484 -5.222 232 HZ PHE 29 HZ PHE 29 -2.242 3.301 -7.400 233 H THR 30 HN THR 30 3.690 1.263 -5.093 234 HA THR 30 HA THR 30 6.272 1.074 -3.949 235 HB THR 30 HB THR 30 6.687 0.044 -6.362 236 HG1 THR 30 HG1 THR 30 4.963 -0.048 -7.582 237 1HG2 THR 30 HG2 THR 30 5.491 -1.980 -5.639 238 2HG2 THR 30 HG2 THR 30 4.592 -1.033 -4.454 239 3HG2 THR 30 HG2 THR 30 6.336 -1.239 -4.280 240 H SER 31 HN SER 31 8.319 1.406 -5.487 241 HA SER 31 HA SER 31 8.558 4.277 -5.936 242 1HB SER 31 HB2 SER 31 10.863 3.322 -6.821 243 2HB SER 31 HB1 SER 31 10.488 3.267 -5.102 244 HG SER 31 HG SER 31 11.092 1.229 -5.633 245 H ASN 32 HN ASN 32 9.636 4.988 -8.097 246 HA ASN 32 HA ASN 32 7.897 4.094 -10.309 247 1HB ASN 32 HB2 ASN 32 10.046 6.229 -10.089 248 2HB ASN 32 HB1 ASN 32 8.896 6.066 -11.417 249 1HD2 ASN 32 HD2 ASN 32 9.384 7.847 -8.674 250 2HD2 ASN 32 HD2 ASN 32 7.774 8.186 -8.259 251 H SER 33 HN SER 33 11.062 3.394 -9.143 252 HA SER 33 HA SER 33 12.126 2.649 -11.796 253 1HB SER 33 HB2 SER 33 13.149 3.543 -9.347 254 2HB SER 33 HB1 SER 33 13.661 1.861 -9.451 255 HG SER 33 HG SER 33 14.495 4.036 -10.854 256 H CYS 34 HN CYS 34 9.798 1.207 -10.358 257 HA CYS 34 HA CYS 34 10.987 -1.479 -9.919 258 1HB CYS 34 HB2 CYS 34 8.385 -0.079 -9.385 259 2HB CYS 34 HB1 CYS 34 8.417 -1.843 -9.409 260 H SER 35 HN SER 35 10.116 -3.337 -11.093 261 HA SER 35 HA SER 35 9.537 -2.720 -13.918 262 1HB SER 35 HB2 SER 35 9.656 -5.439 -12.621 263 2HB SER 35 HB1 SER 35 10.133 -4.980 -14.253 264 HG SER 35 HG SER 35 11.810 -3.712 -13.249 265 H GLN 36 HN GLN 36 7.768 -3.562 -11.058 266 HA GLN 36 HA GLN 36 5.304 -3.921 -12.719 267 1HB GLN 36 HB2 GLN 36 6.701 -5.907 -11.312 268 2HB GLN 36 HB1 GLN 36 5.332 -5.503 -10.274 269 1HG GLN 36 HG2 GLN 36 3.752 -6.027 -11.962 270 2HG GLN 36 HG1 GLN 36 4.980 -6.008 -13.229 271 1HE2 GLN 36 HE2 GLN 36 4.201 -8.277 -13.729 272 2HE2 GLN 36 HE2 GLN 36 4.785 -9.565 -12.792 273 H ARG 37 HN ARG 37 4.248 -2.012 -12.151 274 HA ARG 37 HA ARG 37 4.437 -0.579 -9.729 275 1HB ARG 37 HB2 ARG 37 2.752 -0.731 -12.098 276 2HB ARG 37 HB1 ARG 37 1.807 -0.298 -10.673 277 1HG ARG 37 HG2 ARG 37 4.318 1.132 -10.664 278 2HG ARG 37 HG1 ARG 37 3.475 1.403 -12.189 279 1HD ARG 37 HD2 ARG 37 1.463 1.561 -10.230 280 2HD ARG 37 HD1 ARG 37 2.840 2.454 -9.556 281 HE ARG 37 HE ARG 37 2.833 3.874 -11.536 282 1HH1 ARG 37 HH2 ARG 37 -0.127 3.541 -10.594 283 2HH1 ARG 37 HH2 ARG 37 -0.912 3.409 -12.132 284 1HH2 ARG 37 HH1 ARG 37 2.027 2.836 -13.881 285 2HH2 ARG 37 HH1 ARG 37 0.307 3.009 -13.993 286 H ALA 38 HN ALA 38 3.116 -0.605 -7.808 287 HA ALA 38 HA ALA 38 0.999 -2.560 -7.431 288 1HB ALA 38 HB1 ALA 38 2.431 -3.833 -5.695 289 2HB ALA 38 HB2 ALA 38 3.817 -3.076 -6.480 290 3HB ALA 38 HB3 ALA 38 2.760 -4.149 -7.398 291 H VAL 39 HN VAL 39 -0.297 -1.701 -5.869 292 HA VAL 39 HA VAL 39 0.691 0.498 -4.170 293 HB VAL 39 HB VAL 39 -2.002 -0.891 -4.377 294 1HG1 VAL 39 HG1 VAL 39 -2.838 1.259 -3.425 295 2HG1 VAL 39 HG1 VAL 39 -1.167 1.786 -3.221 296 3HG1 VAL 39 HG1 VAL 39 -1.773 0.398 -2.314 297 1HG2 VAL 39 HG2 VAL 39 -2.467 1.306 -5.712 298 2HG2 VAL 39 HG2 VAL 39 -1.616 -0.010 -6.524 299 3HG2 VAL 39 HG2 VAL 39 -0.714 1.369 -5.896 300 H ILE 40 HN ILE 40 0.744 0.370 -1.841 301 HA ILE 40 HA ILE 40 0.588 -2.422 -0.760 302 HB ILE 40 HB ILE 40 2.509 -0.138 -0.244 303 1HG1 ILE 40 HG1 ILE 40 3.440 -2.877 -0.851 304 2HG1 ILE 40 HG1 ILE 40 2.560 -2.086 -2.159 305 1HG2 ILE 40 HG2 ILE 40 3.380 -2.448 1.107 306 2HG2 ILE 40 HG2 ILE 40 1.674 -2.279 1.520 307 3HG2 ILE 40 HG2 ILE 40 2.794 -0.954 1.837 308 1HD1 ILE 40 HD1 ILE 40 4.787 -1.412 -2.523 309 2HD1 ILE 40 HD1 ILE 40 5.101 -1.206 -0.800 310 3HD1 ILE 40 HD1 ILE 40 4.086 -0.045 -1.656 311 H PHE 41 HN PHE 41 -0.401 -2.665 1.247 312 HA PHE 41 HA PHE 41 -1.622 -0.217 2.479 313 1HB PHE 41 HB2 PHE 41 -2.669 -3.046 2.096 314 2HB PHE 41 HB1 PHE 41 -3.479 -1.832 3.086 315 HD1 PHE 41 HD1 PHE 41 -3.417 0.612 1.716 316 HD2 PHE 41 HD2 PHE 41 -3.694 -3.322 0.024 317 HE1 PHE 41 HE1 PHE 41 -4.491 1.560 -0.308 318 HE2 PHE 41 HE2 PHE 41 -4.772 -2.378 -2.001 319 HZ PHE 41 HZ PHE 41 -5.171 0.063 -2.164 320 H THR 42 HN THR 42 -0.728 0.081 4.501 321 HA THR 42 HA THR 42 0.673 -2.171 5.780 322 HB THR 42 HB THR 42 0.487 0.443 7.138 323 HG1 THR 42 HG1 THR 42 1.569 1.548 5.581 324 1HG2 THR 42 HG2 THR 42 3.099 -0.369 6.279 325 2HG2 THR 42 HG2 THR 42 2.242 -1.764 6.933 326 3HG2 THR 42 HG2 THR 42 2.447 -0.314 7.915 327 H THR 43 HN THR 43 0.223 -2.901 7.912 328 HA THR 43 HA THR 43 -2.622 -2.544 8.723 329 HB THR 43 HB THR 43 -1.994 -4.659 10.062 330 HG1 THR 43 HG1 THR 43 0.062 -5.026 10.031 331 1HG2 THR 43 HG2 THR 43 -3.273 -5.199 8.230 332 2HG2 THR 43 HG2 THR 43 -1.753 -5.934 7.717 333 3HG2 THR 43 HG2 THR 43 -2.216 -4.344 7.108 334 H LYS 44 HN LYS 44 -2.649 -3.142 11.324 335 HA LYS 44 HA LYS 44 -1.274 -0.859 12.593 336 1HB LYS 44 HB2 LYS 44 -3.470 -2.799 13.265 337 2HB LYS 44 HB1 LYS 44 -2.744 -1.827 14.544 338 1HG LYS 44 HG2 LYS 44 -3.186 -0.013 12.460 339 2HG LYS 44 HG1 LYS 44 -4.629 -1.028 12.476 340 1HD LYS 44 HD2 LYS 44 -4.711 -0.663 14.996 341 2HD LYS 44 HD1 LYS 44 -3.474 0.575 14.767 342 1HE LYS 44 HE2 LYS 44 -5.730 0.843 12.895 343 2HE LYS 44 HE1 LYS 44 -6.190 1.040 14.597 344 1HZ LYS 44 HZ1 LYS 44 -5.314 3.102 13.503 345 2HZ LYS 44 HZ2 LYS 44 -3.803 2.332 13.400 346 3HZ LYS 44 HZ3 LYS 44 -4.499 2.644 14.918 347 H ARG 45 HN ARG 45 -0.120 -3.767 11.839 348 HA ARG 45 HA ARG 45 1.058 -4.340 14.532 349 1HB ARG 45 HB2 ARG 45 0.690 -5.988 12.011 350 2HB ARG 45 HB1 ARG 45 1.530 -6.569 13.448 351 1HG ARG 45 HG2 ARG 45 -0.825 -5.579 14.495 352 2HG ARG 45 HG1 ARG 45 -1.350 -6.275 12.963 353 1HD ARG 45 HD2 ARG 45 0.500 -8.111 14.129 354 2HD ARG 45 HD1 ARG 45 -0.678 -7.663 15.379 355 HE ARG 45 HE ARG 45 -1.712 -8.327 12.673 356 1HH1 ARG 45 HH1 ARG 45 -2.860 -8.108 15.673 357 2HH1 ARG 45 HH1 ARG 45 -3.391 -9.746 15.852 358 1HH2 ARG 45 HH2 ARG 45 -1.713 -10.877 13.035 359 2HH2 ARG 45 HH2 ARG 45 -2.742 -11.314 14.358 360 H GLY 46 HN GLY 46 1.775 -3.237 11.319 361 1HA GLY 46 HA2 GLY 46 3.933 -2.025 11.050 362 2HA GLY 46 HA1 GLY 46 4.688 -3.312 11.990 363 H LYS 47 HN LYS 47 2.407 -4.719 9.976 364 HA LYS 47 HA LYS 47 4.541 -5.569 8.096 365 1HB LYS 47 HB2 LYS 47 1.767 -6.606 8.759 366 2HB LYS 47 HB1 LYS 47 2.864 -7.372 7.610 367 1HG LYS 47 HG2 LYS 47 4.572 -7.476 9.495 368 2HG LYS 47 HG1 LYS 47 3.267 -7.008 10.586 369 1HD LYS 47 HD2 LYS 47 2.988 -9.356 8.707 370 2HD LYS 47 HD1 LYS 47 3.708 -9.532 10.307 371 1HE LYS 47 HE2 LYS 47 1.704 -9.105 11.407 372 2HE LYS 47 HE1 LYS 47 1.064 -8.124 10.074 373 1HZ LYS 47 HZ1 LYS 47 1.175 -10.237 8.718 374 2HZ LYS 47 HZ2 LYS 47 -0.035 -10.181 9.908 375 3HZ LYS 47 HZ3 LYS 47 1.388 -11.068 10.182 376 H LYS 48 HN LYS 48 4.518 -4.827 5.999 377 HA LYS 48 HA LYS 48 2.156 -3.234 5.102 378 1HB LYS 48 HB2 LYS 48 4.867 -3.468 3.774 379 2HB LYS 48 HB1 LYS 48 3.701 -2.156 3.633 380 1HG LYS 48 HG2 LYS 48 4.139 -2.132 6.318 381 2HG LYS 48 HG1 LYS 48 5.714 -2.677 5.745 382 1HD LYS 48 HD2 LYS 48 4.318 -0.294 4.521 383 2HD LYS 48 HD1 LYS 48 5.368 -0.133 5.929 384 1HE LYS 48 HE2 LYS 48 6.825 -1.728 4.122 385 2HE LYS 48 HE1 LYS 48 6.117 -0.427 3.142 386 1HZ LYS 48 HZ1 LYS 48 7.598 -0.085 5.698 387 2HZ LYS 48 HZ2 LYS 48 6.858 1.168 4.820 388 3HZ LYS 48 HZ3 LYS 48 8.173 0.322 4.154 389 H VAL 49 HN VAL 49 0.790 -4.150 3.610 390 HA VAL 49 HA VAL 49 1.704 -6.625 2.197 391 HB VAL 49 HB VAL 49 -1.041 -5.457 2.763 392 1HG1 VAL 49 HG1 VAL 49 -0.100 -7.655 1.049 393 2HG1 VAL 49 HG1 VAL 49 -1.659 -6.829 1.064 394 3HG1 VAL 49 HG1 VAL 49 -1.345 -8.139 2.201 395 1HG2 VAL 49 HG2 VAL 49 0.312 -6.323 4.729 396 2HG2 VAL 49 HG2 VAL 49 0.300 -7.904 3.948 397 3HG2 VAL 49 HG2 VAL 49 -1.217 -7.162 4.458 398 H CYS 50 HN CYS 50 1.698 -6.697 -0.060 399 HA CYS 50 HA CYS 50 1.370 -4.122 -1.485 400 1HB CYS 50 HB2 CYS 50 2.349 -6.875 -2.308 401 2HB CYS 50 HB1 CYS 50 2.455 -5.425 -3.298 402 H THR 51 HN THR 51 0.133 -4.088 -3.527 403 HA THR 51 HA THR 51 -1.866 -6.218 -3.984 404 HB THR 51 HB THR 51 -3.733 -4.578 -3.714 405 HG1 THR 51 HG1 THR 51 -1.641 -2.936 -2.729 406 1HG2 THR 51 HG2 THR 51 -3.813 -4.685 -1.346 407 2HG2 THR 51 HG2 THR 51 -2.057 -4.609 -1.203 408 3HG2 THR 51 HG2 THR 51 -2.830 -6.066 -1.826 409 H HIS 52 HN HIS 52 -3.311 -5.444 -5.947 410 HA HIS 52 HA HIS 52 -1.463 -4.275 -7.949 411 1HB HIS 52 HB2 HIS 52 -3.244 -6.427 -7.856 412 2HB HIS 52 HB1 HIS 52 -4.044 -5.242 -8.890 413 HD1 HIS 52 HD1 HIS 52 -2.514 -4.283 -10.917 414 HD2 HIS 52 HD2 HIS 52 -1.157 -7.781 -9.099 415 HE1 HIS 52 HE1 HIS 52 -0.826 -5.306 -12.503 416 HA PRO 53 HA PRO 53 -3.815 -0.493 -7.850 417 1HB PRO 53 HB2 PRO 53 -2.730 0.682 -10.068 418 2HB PRO 53 HB1 PRO 53 -1.881 0.586 -8.513 419 1HG PRO 53 HG2 PRO 53 -1.537 -1.061 -10.960 420 2HG PRO 53 HG1 PRO 53 -0.327 -0.488 -9.803 421 1HD PRO 53 HD2 PRO 53 -1.323 -3.043 -9.852 422 2HD PRO 53 HD1 PRO 53 -0.636 -2.265 -8.411 423 H ARG 54 HN ARG 54 -3.591 -2.530 -10.737 424 HA ARG 54 HA ARG 54 -5.577 -1.293 -12.356 425 1HB ARG 54 HB2 ARG 54 -4.048 -3.728 -12.200 426 2HB ARG 54 HB1 ARG 54 -5.717 -4.124 -12.615 427 1HG ARG 54 HG2 ARG 54 -5.674 -2.837 -14.573 428 2HG ARG 54 HG1 ARG 54 -4.307 -1.868 -14.019 429 1HD ARG 54 HD2 ARG 54 -2.746 -3.503 -14.576 430 2HD ARG 54 HD1 ARG 54 -3.918 -4.824 -14.401 431 HE ARG 54 HE ARG 54 -5.032 -3.869 -16.487 432 1HH1 ARG 54 HH1 ARG 54 -1.727 -4.350 -16.068 433 2HH1 ARG 54 HH1 ARG 54 -1.253 -3.579 -17.545 434 1HH2 ARG 54 HH2 ARG 54 -4.432 -2.392 -18.256 435 2HH2 ARG 54 HH2 ARG 54 -2.783 -2.471 -18.782 436 H LYS 55 HN LYS 55 -5.836 -3.438 -9.579 437 HA LYS 55 HA LYS 55 -8.688 -3.986 -9.873 438 1HB LYS 55 HB2 LYS 55 -6.475 -4.910 -8.417 439 2HB LYS 55 HB1 LYS 55 -7.571 -4.237 -7.207 440 1HG LYS 55 HG2 LYS 55 -9.120 -5.863 -7.534 441 2HG LYS 55 HG1 LYS 55 -8.915 -5.832 -9.286 442 1HD LYS 55 HD2 LYS 55 -6.967 -7.110 -7.349 443 2HD LYS 55 HD1 LYS 55 -8.186 -7.991 -8.271 444 1HE LYS 55 HE2 LYS 55 -6.796 -6.349 -10.133 445 2HE LYS 55 HE1 LYS 55 -5.572 -7.164 -9.137 446 1HZ LYS 55 HZ1 LYS 55 -7.863 -8.436 -10.537 447 2HZ LYS 55 HZ2 LYS 55 -6.849 -9.243 -9.438 448 3HZ LYS 55 HZ3 LYS 55 -6.218 -8.640 -10.896 449 H LYS 56 HN LYS 56 -10.122 -2.250 -9.638 450 HA LYS 56 HA LYS 56 -9.680 0.220 -8.361 451 1HB LYS 56 HB2 LYS 56 -11.715 -0.974 -9.694 452 2HB LYS 56 HB1 LYS 56 -12.353 -1.070 -8.053 453 1HG LYS 56 HG2 LYS 56 -12.643 1.188 -7.893 454 2HG LYS 56 HG1 LYS 56 -11.168 1.540 -8.795 455 1HD LYS 56 HD2 LYS 56 -12.233 1.247 -10.884 456 2HD LYS 56 HD1 LYS 56 -13.591 0.380 -10.166 457 1HE LYS 56 HE2 LYS 56 -14.262 2.483 -8.982 458 2HE LYS 56 HE1 LYS 56 -12.969 3.337 -9.847 459 1HZ LYS 56 HZ1 LYS 56 -13.925 2.816 -11.918 460 2HZ LYS 56 HZ2 LYS 56 -15.222 3.345 -10.957 461 3HZ LYS 56 HZ3 LYS 56 -14.995 1.685 -11.242 462 H TRP 57 HN TRP 57 -10.344 -2.922 -7.027 463 HA TRP 57 HA TRP 57 -11.250 -2.517 -4.433 464 1HB TRP 57 HB2 TRP 57 -10.691 -4.642 -5.633 465 2HB TRP 57 HB1 TRP 57 -8.981 -4.282 -5.425 466 HD1 TRP 57 HD1 TRP 57 -11.878 -5.853 -3.771 467 HE1 TRP 57 HE1 TRP 57 -11.243 -6.612 -1.383 468 HE3 TRP 57 HE3 TRP 57 -7.397 -3.475 -3.263 469 HZ2 TRP 57 HZ2 TRP 57 -9.099 -6.254 0.482 470 HZ3 TRP 57 HZ3 TRP 57 -6.077 -3.700 -1.179 471 HH2 TRP 57 HH2 TRP 57 -6.923 -5.086 0.694 472 H VAL 58 HN VAL 58 -7.882 -2.249 -5.600 473 HA VAL 58 HA VAL 58 -6.757 -1.483 -3.053 474 HB VAL 58 HB VAL 58 -5.881 -1.104 -5.930 475 1HG1 VAL 58 HG1 VAL 58 -4.786 0.341 -4.043 476 2HG1 VAL 58 HG1 VAL 58 -3.741 -0.526 -5.166 477 3HG1 VAL 58 HG1 VAL 58 -4.036 -1.179 -3.555 478 1HG2 VAL 58 HG2 VAL 58 -5.556 -3.279 -3.874 479 2HG2 VAL 58 HG2 VAL 58 -4.361 -3.081 -5.155 480 3HG2 VAL 58 HG2 VAL 58 -6.042 -3.420 -5.563 481 H GLN 59 HN GLN 59 -8.105 0.313 -5.811 482 HA GLN 59 HA GLN 59 -7.290 2.936 -4.990 483 1HB GLN 59 HB2 GLN 59 -9.644 1.859 -6.578 484 2HB GLN 59 HB1 GLN 59 -9.276 3.578 -6.445 485 1HG GLN 59 HG2 GLN 59 -7.273 1.531 -7.428 486 2HG GLN 59 HG1 GLN 59 -8.329 2.446 -8.506 487 1HE2 GLN 59 HE2 GLN 59 -8.306 4.996 -7.468 488 2HE2 GLN 59 HE2 GLN 59 -6.727 5.618 -7.425 489 H LYS 60 HN LYS 60 -10.004 0.830 -4.140 490 HA LYS 60 HA LYS 60 -11.490 2.786 -2.630 491 1HB LYS 60 HB2 LYS 60 -12.205 0.506 -3.578 492 2HB LYS 60 HB1 LYS 60 -11.372 -0.212 -2.200 493 1HG LYS 60 HG2 LYS 60 -13.082 0.281 -0.817 494 2HG LYS 60 HG1 LYS 60 -13.096 1.964 -1.348 495 1HD LYS 60 HD2 LYS 60 -15.222 1.142 -1.984 496 2HD LYS 60 HD1 LYS 60 -14.276 1.090 -3.471 497 1HE LYS 60 HE2 LYS 60 -13.779 -1.375 -2.183 498 2HE LYS 60 HE1 LYS 60 -15.529 -1.106 -2.067 499 1HZ LYS 60 HZ1 LYS 60 -15.003 -2.098 -4.192 500 2HZ LYS 60 HZ2 LYS 60 -13.873 -0.875 -4.526 501 3HZ LYS 60 HZ3 LYS 60 -15.529 -0.504 -4.430 502 H TYR 61 HN TYR 61 -8.847 0.545 -1.901 503 HA TYR 61 HA TYR 61 -8.909 1.026 0.978 504 1HB TYR 61 HB2 TYR 61 -7.211 -0.401 -1.030 505 2HB TYR 61 HB1 TYR 61 -6.524 -0.078 0.562 506 HD1 TYR 61 HD1 TYR 61 -9.826 -1.202 -0.843 507 HD2 TYR 61 HD2 TYR 61 -6.775 -1.774 2.126 508 HE1 TYR 61 HE1 TYR 61 -11.100 -3.111 0.098 509 HE2 TYR 61 HE2 TYR 61 -8.049 -3.682 3.067 510 HH TYR 61 HH TYR 61 -11.181 -4.242 2.536 511 H ILE 62 HN ILE 62 -6.879 2.159 -1.732 512 HA ILE 62 HA ILE 62 -5.019 3.704 -0.258 513 HB ILE 62 HB ILE 62 -6.304 4.214 -2.962 514 1HG1 ILE 62 HG1 ILE 62 -3.605 2.974 -2.515 515 2HG1 ILE 62 HG1 ILE 62 -5.047 1.973 -2.358 516 1HG2 ILE 62 HG2 ILE 62 -4.921 5.981 -3.195 517 2HG2 ILE 62 HG2 ILE 62 -3.536 5.033 -2.654 518 3HG2 ILE 62 HG2 ILE 62 -4.564 5.845 -1.474 519 1HD1 ILE 62 HD1 ILE 62 -4.934 3.729 -4.749 520 2HD1 ILE 62 HD1 ILE 62 -5.531 2.077 -4.594 521 3HD1 ILE 62 HD1 ILE 62 -3.798 2.380 -4.722 522 H SER 63 HN SER 63 -8.339 4.441 -1.249 523 HA SER 63 HA SER 63 -8.183 7.221 -0.318 524 1HB SER 63 HB2 SER 63 -9.603 5.967 -2.211 525 2HB SER 63 HB1 SER 63 -10.747 5.793 -0.884 526 HG SER 63 HG SER 63 -10.851 7.777 -2.235 527 H LEU 64 HN LEU 64 -9.198 4.108 0.961 528 HA LEU 64 HA LEU 64 -10.664 5.322 3.219 529 1HB LEU 64 HB2 LEU 64 -9.990 2.541 2.257 530 2HB LEU 64 HB1 LEU 64 -10.758 2.805 3.824 531 HG LEU 64 HG LEU 64 -11.886 4.072 1.336 532 1HD1 LEU 64 HD1 LEU 64 -13.036 2.163 0.719 533 2HD1 LEU 64 HD1 LEU 64 -12.989 1.482 2.345 534 3HD1 LEU 64 HD1 LEU 64 -11.553 1.424 1.324 535 1HD2 LEU 64 HD2 LEU 64 -12.958 3.254 4.051 536 2HD2 LEU 64 HD2 LEU 64 -13.989 3.808 2.731 537 3HD2 LEU 64 HD2 LEU 64 -12.780 4.891 3.420 538 H LEU 65 HN LEU 65 -7.545 3.727 2.632 539 HA LEU 65 HA LEU 65 -6.704 3.288 5.295 540 1HB LEU 65 HB2 LEU 65 -5.560 3.564 2.607 541 2HB LEU 65 HB1 LEU 65 -4.436 4.036 3.881 542 HG LEU 65 HG LEU 65 -4.262 1.616 3.348 543 1HD1 LEU 65 HD1 LEU 65 -3.863 1.111 5.529 544 2HD1 LEU 65 HD1 LEU 65 -5.513 1.497 6.015 545 3HD1 LEU 65 HD1 LEU 65 -4.330 2.784 5.826 546 1HD2 LEU 65 HD2 LEU 65 -6.889 1.629 2.909 547 2HD2 LEU 65 HD2 LEU 65 -6.937 1.153 4.606 548 3HD2 LEU 65 HD2 LEU 65 -6.063 0.164 3.437 549 H LYS 66 HN LYS 66 -5.495 5.993 3.311 550 HA LYS 66 HA LYS 66 -6.120 7.978 5.370 551 1HB LYS 66 HB2 LYS 66 -3.751 6.415 5.524 552 2HB LYS 66 HB1 LYS 66 -3.259 8.035 5.028 553 1HG LYS 66 HG2 LYS 66 -3.590 8.810 7.112 554 2HG LYS 66 HG1 LYS 66 -5.262 8.248 7.083 555 1HD LYS 66 HD2 LYS 66 -4.725 6.182 8.040 556 2HD LYS 66 HD1 LYS 66 -3.035 6.284 7.544 557 1HE LYS 66 HE2 LYS 66 -3.799 8.497 9.305 558 2HE LYS 66 HE1 LYS 66 -3.991 6.911 10.076 559 1HZ LYS 66 HZ1 LYS 66 -1.747 6.385 9.011 560 2HZ LYS 66 HZ2 LYS 66 -1.745 7.399 10.373 561 3HZ LYS 66 HZ3 LYS 66 -1.576 8.061 8.818 562 H THR 67 HN THR 67 -5.160 10.160 4.704 563 HA THR 67 HA THR 67 -5.447 10.491 1.801 564 HB THR 67 HB THR 67 -4.774 12.556 3.908 565 HG1 THR 67 HG1 THR 67 -7.238 11.334 3.249 566 1HG2 THR 67 HG2 THR 67 -4.725 13.238 1.515 567 2HG2 THR 67 HG2 THR 67 -5.998 14.055 2.421 568 3HG2 THR 67 HG2 THR 67 -6.400 12.708 1.356 569 HA PRO 68 HA PRO 68 -1.060 10.446 1.124 570 1HB PRO 68 HB2 PRO 68 -1.026 11.547 -1.377 571 2HB PRO 68 HB1 PRO 68 -1.529 9.874 -1.066 572 1HG PRO 68 HG2 PRO 68 -3.192 12.288 -1.559 573 2HG PRO 68 HG1 PRO 68 -3.440 10.618 -2.090 574 1HD PRO 68 HD2 PRO 68 -4.769 11.767 0.009 575 2HD PRO 68 HD1 PRO 68 -4.479 10.020 -0.148 576 H LYS 69 HN LYS 69 0.646 11.943 1.348 577 HA LYS 69 HA LYS 69 0.034 14.837 1.082 578 1HB LYS 69 HB2 LYS 69 -0.213 13.547 3.467 579 2HB LYS 69 HB1 LYS 69 1.487 14.012 3.530 580 1HG LYS 69 HG2 LYS 69 -0.003 16.233 2.517 581 2HG LYS 69 HG1 LYS 69 -0.801 15.657 3.981 582 1HD LYS 69 HD2 LYS 69 2.145 15.778 4.150 583 2HD LYS 69 HD1 LYS 69 1.350 17.343 3.978 584 1HE LYS 69 HE2 LYS 69 -0.263 16.405 5.851 585 2HE LYS 69 HE1 LYS 69 1.114 15.343 6.206 586 1HZ LYS 69 HZ1 LYS 69 1.511 17.301 7.423 587 2HZ LYS 69 HZ2 LYS 69 1.067 18.305 6.126 588 3HZ LYS 69 HZ3 LYS 69 2.517 17.420 6.062 589 H GLN 70 HN GLN 70 2.410 15.805 2.177 590 HA GLN 70 HA GLN 70 4.573 14.380 0.672 591 1HB GLN 70 HB2 GLN 70 3.557 16.223 -0.661 592 2HB GLN 70 HB1 GLN 70 3.948 17.352 0.637 593 1HG GLN 70 HG2 GLN 70 6.203 17.318 0.178 594 2HG GLN 70 HG1 GLN 70 6.166 15.655 -0.406 595 1HE2 GLN 70 HE2 GLN 70 4.919 18.912 -1.343 596 2HE2 GLN 70 HE2 GLN 70 5.109 18.664 -3.011 597 H LEU 71 HN LEU 71 5.493 13.700 2.700 598 HA LEU 71 HA LEU 71 6.226 15.797 4.672 599 1HB LEU 71 HB2 LEU 71 5.494 13.070 4.717 600 2HB LEU 71 HB1 LEU 71 7.187 13.117 5.210 601 HG LEU 71 HG LEU 71 5.697 13.370 7.161 602 1HD1 LEU 71 HD1 LEU 71 7.673 15.349 6.285 603 2HD1 LEU 71 HD1 LEU 71 7.501 14.553 7.850 604 3HD1 LEU 71 HD1 LEU 71 6.548 15.990 7.483 605 1HD2 LEU 71 HD2 LEU 71 4.086 15.070 7.332 606 2HD2 LEU 71 HD2 LEU 71 3.930 14.570 5.648 607 3HD2 LEU 71 HD2 LEU 71 4.828 16.032 6.054
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